PSF 2698 !NTITLE REMARKS original generated structure x-plor psf file REMARKS 2450 patches were applied to the molecule. REMARKS topology /Scr/chucruz-test/OtherPeople/Thorsten/common/topPETnew.inp REMARKS segment A { first NONE; last NONE; auto angles dihedrals } REMARKS segment B { first NONE; last NONE; auto angles dihedrals } REMARKS segment C { first NONE; last NONE; auto angles dihedrals } REMARKS segment D { first NONE; last NONE; auto angles dihedrals } REMARKS segment E { first NONE; last NONE; auto angles dihedrals } REMARKS segment F { first NONE; last NONE; auto angles dihedrals } REMARKS segment G { first NONE; last NONE; auto angles dihedrals } REMARKS segment H { first NONE; last NONE; auto angles dihedrals } REMARKS segment I { first NONE; last NONE; auto angles dihedrals } REMARKS segment J { first NONE; last NONE; auto angles dihedrals } REMARKS segment K { first NONE; last NONE; auto angles dihedrals } REMARKS segment L { first NONE; last NONE; auto angles dihedrals } REMARKS segment M { first NONE; last NONE; auto angles dihedrals } REMARKS segment N { first NONE; last NONE; auto angles dihedrals } REMARKS segment O { first NONE; last NONE; auto angles dihedrals } REMARKS segment P { first NONE; last NONE; auto angles dihedrals } REMARKS segment Q { first NONE; last NONE; auto angles dihedrals } REMARKS segment R { first NONE; last NONE; auto angles dihedrals } REMARKS segment S { first NONE; last NONE; auto angles dihedrals } REMARKS segment T { first NONE; last NONE; auto angles dihedrals } REMARKS segment U { first NONE; last NONE; auto angles dihedrals } REMARKS segment V { first NONE; last NONE; auto angles dihedrals } REMARKS segment W { first NONE; last NONE; auto angles dihedrals } REMARKS segment X { first NONE; last NONE; auto angles dihedrals } REMARKS segment Y { first NONE; last NONE; auto angles dihedrals } REMARKS segment Z { first NONE; last NONE; auto angles dihedrals } REMARKS segment AA { first NONE; last NONE; auto angles dihedrals } REMARKS segment AB { first NONE; last NONE; auto angles dihedrals } REMARKS segment AC { first NONE; last NONE; auto angles dihedrals } REMARKS segment AD { first NONE; last NONE; auto angles dihedrals } REMARKS segment AE { first NONE; last NONE; auto angles dihedrals } REMARKS segment AF { first NONE; last NONE; auto angles dihedrals } REMARKS segment AG { first NONE; last NONE; auto angles dihedrals } REMARKS segment AH { first NONE; last NONE; auto angles dihedrals } REMARKS segment AI { first NONE; last NONE; auto angles dihedrals } REMARKS segment AJ { first NONE; last NONE; auto angles dihedrals } REMARKS segment AK { first NONE; last NONE; auto angles dihedrals } REMARKS segment AL { first NONE; last NONE; auto angles dihedrals } REMARKS segment AM { first NONE; last NONE; auto angles dihedrals } REMARKS segment AN { first NONE; last NONE; auto angles dihedrals } REMARKS segment AO { first NONE; last NONE; auto angles dihedrals } REMARKS segment AP { first NONE; last NONE; auto angles dihedrals } REMARKS segment AQ { first NONE; last NONE; auto angles dihedrals } REMARKS segment AR { first NONE; last NONE; auto angles dihedrals } REMARKS segment AS { first NONE; last NONE; auto angles dihedrals } REMARKS segment AT { first NONE; last NONE; auto angles dihedrals } REMARKS segment AU { first NONE; last NONE; auto angles dihedrals } REMARKS segment AV { first NONE; last NONE; auto angles dihedrals } REMARKS segment AW { first NONE; last NONE; auto angles dihedrals } REMARKS segment AX { first NONE; last NONE; auto angles dihedrals } REMARKS segment AY { first NONE; last NONE; auto angles dihedrals } REMARKS segment AZ { first NONE; last NONE; auto angles dihedrals } REMARKS segment BA { first NONE; last NONE; auto angles dihedrals } REMARKS segment BB { first NONE; last NONE; auto angles dihedrals } REMARKS segment BC { first NONE; last NONE; auto angles dihedrals } REMARKS segment BD { first NONE; last NONE; auto angles dihedrals } REMARKS segment BE { first NONE; last NONE; auto angles dihedrals } REMARKS segment BF { first NONE; last NONE; auto angles dihedrals } REMARKS segment BG { first NONE; last NONE; auto angles dihedrals } REMARKS segment BH { first NONE; last NONE; auto angles dihedrals } REMARKS segment BI { first NONE; last NONE; auto angles dihedrals } REMARKS segment BJ { first NONE; last NONE; auto angles dihedrals } REMARKS segment BK { first NONE; last NONE; auto angles dihedrals } REMARKS segment BL { first NONE; last NONE; auto angles dihedrals } REMARKS segment BM { first NONE; last NONE; auto angles dihedrals } REMARKS segment BN { first NONE; last NONE; auto angles dihedrals } REMARKS segment BO { first NONE; last NONE; auto angles dihedrals } REMARKS segment BP { first NONE; last NONE; auto angles dihedrals } REMARKS segment BQ { first NONE; last NONE; auto angles dihedrals } REMARKS segment BR { first NONE; last NONE; auto angles dihedrals } REMARKS segment BS { first NONE; last NONE; auto angles dihedrals } REMARKS segment BT { first NONE; last NONE; auto angles dihedrals } REMARKS segment BU { first NONE; last NONE; auto angles dihedrals } REMARKS segment BV { first NONE; last NONE; auto angles dihedrals } REMARKS segment BW { first NONE; last NONE; auto angles dihedrals } REMARKS segment BX { first NONE; last NONE; auto angles dihedrals } REMARKS segment BY { first NONE; last NONE; auto angles dihedrals } REMARKS segment BZ { first NONE; last NONE; auto angles dihedrals } REMARKS segment CA { first NONE; last NONE; auto angles dihedrals } REMARKS segment CB { first NONE; last NONE; auto angles dihedrals } REMARKS segment CC { first NONE; last NONE; auto angles dihedrals } REMARKS segment CD { first NONE; last NONE; auto angles dihedrals } REMARKS segment CE { first NONE; last NONE; auto angles dihedrals } REMARKS segment CF { first NONE; last NONE; auto angles dihedrals } REMARKS segment CG { first NONE; last NONE; auto angles dihedrals } REMARKS segment CH { first NONE; last NONE; auto angles dihedrals } REMARKS segment CI { first NONE; last NONE; auto angles dihedrals } REMARKS segment CJ { first NONE; last NONE; auto angles dihedrals } REMARKS segment CK { first NONE; last NONE; auto angles dihedrals } REMARKS segment CL { first NONE; last NONE; auto angles dihedrals } REMARKS segment CM { first NONE; last NONE; auto angles dihedrals } REMARKS segment CN { first NONE; last NONE; auto angles dihedrals } REMARKS segment CO { first NONE; last NONE; auto angles dihedrals } REMARKS segment CP { first NONE; last NONE; auto angles dihedrals } REMARKS segment CQ { first NONE; last NONE; auto angles dihedrals } REMARKS segment CR { first NONE; last NONE; auto angles dihedrals } REMARKS segment CS { first NONE; last NONE; auto angles dihedrals } REMARKS segment CT { first NONE; last NONE; auto angles dihedrals } REMARKS segment CU { first NONE; last NONE; auto angles dihedrals } REMARKS segment CV { first NONE; last NONE; auto angles dihedrals } REMARKS segment CW { first NONE; last NONE; auto angles dihedrals } REMARKS segment CX { first NONE; last NONE; auto angles dihedrals } REMARKS segment CY { first NONE; last NONE; auto angles dihedrals } REMARKS segment CZ { first NONE; last NONE; auto angles dihedrals } REMARKS segment DA { first NONE; last NONE; auto angles dihedrals } REMARKS segment DB { first NONE; last NONE; auto angles dihedrals } REMARKS segment DC { first NONE; last NONE; auto angles dihedrals } REMARKS segment DD { first NONE; last NONE; auto angles dihedrals } REMARKS segment DE { first NONE; last NONE; auto angles dihedrals } REMARKS segment DF { first NONE; last NONE; auto angles dihedrals } REMARKS segment DG { first NONE; last NONE; auto angles dihedrals } REMARKS segment DH { first NONE; last NONE; auto angles dihedrals } REMARKS segment DI { first NONE; last NONE; auto angles dihedrals } REMARKS segment DJ { first NONE; last NONE; auto angles dihedrals } REMARKS segment DK { first NONE; last NONE; auto angles dihedrals } REMARKS segment DL { first NONE; last NONE; auto angles dihedrals } REMARKS segment DM { first NONE; last NONE; auto angles dihedrals } REMARKS segment DN { first NONE; last NONE; auto angles dihedrals } REMARKS segment DO { first NONE; last NONE; auto angles dihedrals } REMARKS segment DP { first NONE; last NONE; auto angles dihedrals } REMARKS segment DQ { first NONE; last NONE; auto angles dihedrals } REMARKS segment DR { first NONE; last NONE; auto angles dihedrals } REMARKS segment DS { first NONE; last NONE; auto angles dihedrals } REMARKS segment DT { first NONE; last NONE; auto angles dihedrals } REMARKS segment DU { first NONE; last NONE; auto angles dihedrals } REMARKS segment DV { first NONE; last NONE; auto angles dihedrals } REMARKS segment DW { first NONE; last NONE; auto angles dihedrals } REMARKS segment DX { first NONE; last NONE; auto angles dihedrals } REMARKS segment DY { first NONE; last NONE; auto angles dihedrals } REMARKS segment DZ { first NONE; last NONE; auto angles dihedrals } REMARKS segment EA { first NONE; last NONE; auto angles dihedrals } REMARKS segment EB { first NONE; last NONE; auto angles dihedrals } REMARKS segment EC { first NONE; last NONE; auto angles dihedrals } REMARKS segment ED { first NONE; last NONE; auto angles dihedrals } REMARKS segment EE { first NONE; last NONE; auto angles dihedrals } REMARKS segment EF { first NONE; last NONE; auto angles dihedrals } REMARKS segment EG { first NONE; last NONE; auto angles dihedrals } REMARKS segment EH { first NONE; last NONE; auto angles dihedrals } REMARKS segment EI { first NONE; last NONE; auto angles dihedrals } REMARKS segment EJ { first NONE; last NONE; auto angles dihedrals } REMARKS segment EK { first NONE; last NONE; auto angles dihedrals } REMARKS segment EL { first NONE; last NONE; auto angles dihedrals } REMARKS segment EM { first NONE; last NONE; auto angles dihedrals } REMARKS segment EN { first NONE; last NONE; auto angles dihedrals } REMARKS segment EO { first NONE; last NONE; auto angles dihedrals } REMARKS segment EP { first NONE; last NONE; auto angles dihedrals } REMARKS segment EQ { first NONE; last NONE; auto angles dihedrals } REMARKS segment ER { first NONE; last NONE; auto angles dihedrals } REMARKS segment ES { first NONE; last NONE; auto angles dihedrals } REMARKS segment ET { first NONE; last NONE; auto angles dihedrals } REMARKS segment EU { first NONE; last NONE; auto angles dihedrals } REMARKS segment EV { first NONE; last NONE; auto angles dihedrals } REMARKS segment EW { first NONE; last NONE; auto angles dihedrals } REMARKS segment EX { first NONE; last NONE; auto angles dihedrals } REMARKS segment EY { first NONE; last NONE; auto angles dihedrals } REMARKS segment EZ { first NONE; last NONE; auto angles dihedrals } REMARKS segment FA { first NONE; last NONE; auto angles dihedrals } REMARKS segment FB { first NONE; last NONE; auto angles dihedrals } REMARKS segment FC { first NONE; last NONE; auto angles dihedrals } REMARKS segment FD { first NONE; last NONE; auto angles dihedrals } REMARKS segment FE { first NONE; last NONE; auto angles dihedrals } REMARKS segment FF { first NONE; last NONE; auto angles dihedrals } REMARKS segment FG { first NONE; last NONE; auto angles dihedrals } REMARKS segment FH { first NONE; last NONE; auto angles dihedrals } REMARKS segment FI { first NONE; last NONE; auto angles dihedrals } REMARKS segment FJ { first NONE; last NONE; auto angles dihedrals } REMARKS segment FK { first NONE; last NONE; auto angles dihedrals } REMARKS segment FL { first NONE; last NONE; auto angles dihedrals } REMARKS segment FM { first NONE; last NONE; auto angles dihedrals } REMARKS segment FN { first NONE; last NONE; auto angles dihedrals } REMARKS segment FO { first NONE; last NONE; auto angles dihedrals } REMARKS segment FP { first NONE; last NONE; auto angles dihedrals } REMARKS segment FQ { first NONE; last NONE; auto angles dihedrals } REMARKS segment FR { first NONE; last NONE; auto angles dihedrals } REMARKS segment FS { first NONE; last NONE; auto angles dihedrals } REMARKS segment FT { first NONE; last NONE; auto angles dihedrals } REMARKS segment FU { first NONE; last NONE; auto angles dihedrals } REMARKS segment FV { first NONE; last NONE; auto angles dihedrals } REMARKS segment FW { first NONE; last NONE; auto angles dihedrals } REMARKS segment FX { first NONE; last NONE; auto angles dihedrals } REMARKS segment FY { first NONE; last NONE; auto angles dihedrals } REMARKS segment FZ { first NONE; last NONE; auto angles dihedrals } REMARKS segment GA { first NONE; last NONE; auto angles dihedrals } REMARKS segment GB { first NONE; last NONE; auto angles dihedrals } REMARKS segment GC { first NONE; last NONE; auto angles dihedrals } REMARKS segment GD { first NONE; last NONE; auto angles dihedrals } REMARKS segment GE { first NONE; last NONE; auto angles dihedrals } REMARKS segment GF { first NONE; last NONE; auto angles dihedrals } REMARKS segment GG { first NONE; last NONE; auto angles dihedrals } REMARKS segment GH { first NONE; last NONE; auto angles dihedrals } REMARKS segment GI { first NONE; last NONE; auto angles dihedrals } REMARKS segment GJ { first NONE; last NONE; auto angles dihedrals } REMARKS segment GK { first NONE; last NONE; auto angles dihedrals } REMARKS segment GL { first NONE; last NONE; auto angles dihedrals } REMARKS segment GM { first NONE; last NONE; auto angles dihedrals } REMARKS segment GN { first NONE; last NONE; auto angles dihedrals } REMARKS segment GO { first NONE; last NONE; auto angles dihedrals } REMARKS segment GP { first NONE; last NONE; auto angles dihedrals } REMARKS segment GQ { first NONE; last NONE; auto angles dihedrals } REMARKS segment GR { first NONE; last NONE; auto angles dihedrals } REMARKS segment GS { first NONE; last NONE; auto angles dihedrals } REMARKS segment GT { first NONE; last NONE; auto angles dihedrals } REMARKS segment GU { first NONE; last NONE; auto angles dihedrals } REMARKS segment GV { first NONE; last NONE; auto angles dihedrals } REMARKS segment GW { first NONE; last NONE; auto angles dihedrals } REMARKS segment GX { first NONE; last NONE; auto angles dihedrals } REMARKS segment GY { first NONE; last NONE; auto angles dihedrals } REMARKS segment GZ { first NONE; last NONE; auto angles dihedrals } REMARKS segment HA { first NONE; last NONE; auto angles dihedrals } REMARKS segment HB { first NONE; last NONE; auto angles dihedrals } REMARKS segment HC { first NONE; last NONE; auto angles dihedrals } REMARKS segment HD { first NONE; last NONE; auto angles dihedrals } REMARKS segment HE { first NONE; last NONE; auto angles dihedrals } REMARKS segment HF { first NONE; last NONE; auto angles dihedrals } REMARKS segment HG { first NONE; last NONE; auto angles dihedrals } REMARKS segment HH { first NONE; last NONE; auto angles dihedrals } REMARKS segment HI { first NONE; last NONE; auto angles dihedrals } REMARKS segment HJ { first NONE; last NONE; auto angles dihedrals } REMARKS segment HK { first NONE; last NONE; auto angles dihedrals } REMARKS segment HL { first NONE; last NONE; auto angles dihedrals } REMARKS segment HM { first NONE; last NONE; auto angles dihedrals } REMARKS segment HN { first NONE; last NONE; auto angles dihedrals } REMARKS segment HO { first NONE; last NONE; auto angles dihedrals } REMARKS segment HP { first NONE; last NONE; auto angles dihedrals } REMARKS segment HQ { first NONE; last NONE; auto angles dihedrals } REMARKS segment HR { first NONE; last NONE; auto angles dihedrals } REMARKS segment HS { first NONE; last NONE; auto angles dihedrals } REMARKS segment HT { first NONE; last NONE; auto angles dihedrals } REMARKS segment HU { first NONE; last NONE; auto angles dihedrals } REMARKS segment HV { first NONE; last NONE; auto angles dihedrals } REMARKS segment HW { first NONE; last NONE; auto angles dihedrals } REMARKS segment HX { first NONE; last NONE; auto angles dihedrals } REMARKS segment HY { first NONE; last NONE; auto angles dihedrals } REMARKS segment HZ { first NONE; last NONE; auto angles dihedrals } REMARKS segment IA { first NONE; last NONE; auto angles dihedrals } REMARKS segment IB { first NONE; last NONE; auto angles dihedrals } REMARKS segment IC { first NONE; last NONE; auto angles dihedrals } REMARKS segment ID { first NONE; last NONE; auto angles dihedrals } REMARKS segment IE { first NONE; last NONE; auto angles dihedrals } REMARKS segment IF { first NONE; last NONE; auto angles dihedrals } REMARKS segment IG { first NONE; last NONE; auto angles dihedrals } REMARKS segment IH { first NONE; last NONE; auto angles dihedrals } REMARKS segment II { first NONE; last NONE; auto angles dihedrals } REMARKS segment IJ { first NONE; last NONE; auto angles dihedrals } REMARKS segment IK { first NONE; last NONE; auto angles dihedrals } REMARKS patch DIPP A:2 A:1 REMARKS patch DIPP A:3 A:2 REMARKS patch DIPP A:4 A:3 REMARKS patch DIPP A:5 A:4 REMARKS patch DIPP A:6 A:5 REMARKS patch DIPP A:7 A:6 REMARKS patch DIPP A:8 A:7 REMARKS patch DIPP A:9 A:8 REMARKS patch PCOA A:1 REMARKS patch PCOC A:9 REMARKS patch DIPP B:2 B:1 REMARKS patch DIPP B:3 B:2 REMARKS patch DIPP B:4 B:3 REMARKS patch DIPP B:5 B:4 REMARKS patch DIPP B:6 B:5 REMARKS patch DIPP B:7 B:6 REMARKS patch DIPP B:8 B:7 REMARKS patch DIPP B:9 B:8 REMARKS patch PCOA B:1 REMARKS patch PCOC B:9 REMARKS patch DIPP C:2 C:1 REMARKS patch DIPP C:3 C:2 REMARKS patch DIPP C:4 C:3 REMARKS patch DIPP C:5 C:4 REMARKS patch DIPP C:6 C:5 REMARKS patch DIPP C:7 C:6 REMARKS patch DIPP C:8 C:7 REMARKS patch DIPP C:9 C:8 REMARKS patch PCOA C:1 REMARKS patch PCOC C:9 REMARKS patch DIPP D:2 D:1 REMARKS patch DIPP D:3 D:2 REMARKS patch DIPP D:4 D:3 REMARKS patch DIPP D:5 D:4 REMARKS patch DIPP D:6 D:5 REMARKS patch DIPP D:7 D:6 REMARKS patch DIPP D:8 D:7 REMARKS patch DIPP D:9 D:8 REMARKS patch PCOA D:1 REMARKS patch PCOC D:9 REMARKS patch DIPP E:2 E:1 REMARKS patch DIPP E:3 E:2 REMARKS patch DIPP E:4 E:3 REMARKS patch DIPP E:5 E:4 REMARKS patch DIPP E:6 E:5 REMARKS patch DIPP E:7 E:6 REMARKS patch DIPP E:8 E:7 REMARKS patch DIPP E:9 E:8 REMARKS patch PCOA E:1 REMARKS patch PCOC E:9 REMARKS patch DIPP F:2 F:1 REMARKS patch DIPP F:3 F:2 REMARKS patch DIPP F:4 F:3 REMARKS patch DIPP F:5 F:4 REMARKS patch DIPP F:6 F:5 REMARKS patch DIPP F:7 F:6 REMARKS patch DIPP F:8 F:7 REMARKS patch DIPP F:9 F:8 REMARKS patch PCOA F:1 REMARKS patch PCOC F:9 REMARKS patch DIPP G:2 G:1 REMARKS patch DIPP G:3 G:2 REMARKS patch DIPP G:4 G:3 REMARKS patch DIPP G:5 G:4 REMARKS patch DIPP G:6 G:5 REMARKS patch DIPP G:7 G:6 REMARKS patch DIPP G:8 G:7 REMARKS patch DIPP G:9 G:8 REMARKS patch PCOA G:1 REMARKS patch PCOC G:9 REMARKS patch DIPP H:2 H:1 REMARKS patch DIPP H:3 H:2 REMARKS patch DIPP H:4 H:3 REMARKS patch DIPP H:5 H:4 REMARKS patch DIPP H:6 H:5 REMARKS patch DIPP H:7 H:6 REMARKS patch DIPP H:8 H:7 REMARKS patch DIPP H:9 H:8 REMARKS patch PCOA H:1 REMARKS patch PCOC H:9 REMARKS patch DIPP I:2 I:1 REMARKS patch DIPP I:3 I:2 REMARKS patch DIPP I:4 I:3 REMARKS patch DIPP I:5 I:4 REMARKS patch DIPP I:6 I:5 REMARKS patch DIPP I:7 I:6 REMARKS patch DIPP I:8 I:7 REMARKS patch DIPP I:9 I:8 REMARKS patch PCOA I:1 REMARKS patch PCOC I:9 REMARKS patch DIPP J:2 J:1 REMARKS patch DIPP J:3 J:2 REMARKS patch DIPP J:4 J:3 REMARKS patch DIPP J:5 J:4 REMARKS patch DIPP J:6 J:5 REMARKS patch DIPP J:7 J:6 REMARKS patch DIPP J:8 J:7 REMARKS patch DIPP J:9 J:8 REMARKS patch PCOA J:1 REMARKS patch PCOC J:9 REMARKS patch DIPP K:2 K:1 REMARKS patch DIPP K:3 K:2 REMARKS patch DIPP K:4 K:3 REMARKS patch DIPP K:5 K:4 REMARKS patch DIPP K:6 K:5 REMARKS patch DIPP K:7 K:6 REMARKS patch DIPP K:8 K:7 REMARKS patch DIPP K:9 K:8 REMARKS patch PCOA K:1 REMARKS patch PCOC K:9 REMARKS patch DIPP L:2 L:1 REMARKS patch DIPP L:3 L:2 REMARKS patch DIPP L:4 L:3 REMARKS patch DIPP L:5 L:4 REMARKS patch DIPP L:6 L:5 REMARKS patch DIPP L:7 L:6 REMARKS patch DIPP L:8 L:7 REMARKS patch DIPP L:9 L:8 REMARKS patch PCOA L:1 REMARKS patch PCOC L:9 REMARKS patch DIPP M:2 M:1 REMARKS patch DIPP M:3 M:2 REMARKS patch DIPP M:4 M:3 REMARKS patch DIPP M:5 M:4 REMARKS patch DIPP M:6 M:5 REMARKS patch DIPP M:7 M:6 REMARKS patch DIPP M:8 M:7 REMARKS patch DIPP M:9 M:8 REMARKS patch PCOA M:1 REMARKS patch PCOC M:9 REMARKS patch DIPP N:2 N:1 REMARKS patch DIPP N:3 N:2 REMARKS patch DIPP N:4 N:3 REMARKS patch DIPP N:5 N:4 REMARKS patch DIPP N:6 N:5 REMARKS patch DIPP N:7 N:6 REMARKS patch DIPP N:8 N:7 REMARKS patch DIPP N:9 N:8 REMARKS patch PCOA N:1 REMARKS patch PCOC N:9 REMARKS patch DIPP O:2 O:1 REMARKS patch DIPP O:3 O:2 REMARKS patch DIPP O:4 O:3 REMARKS patch DIPP O:5 O:4 REMARKS patch DIPP O:6 O:5 REMARKS patch DIPP O:7 O:6 REMARKS patch DIPP O:8 O:7 REMARKS patch DIPP O:9 O:8 REMARKS patch PCOA O:1 REMARKS patch PCOC O:9 REMARKS patch DIPP P:2 P:1 REMARKS patch DIPP P:3 P:2 REMARKS patch DIPP P:4 P:3 REMARKS patch DIPP P:5 P:4 REMARKS patch DIPP P:6 P:5 REMARKS patch DIPP P:7 P:6 REMARKS patch DIPP P:8 P:7 REMARKS patch DIPP P:9 P:8 REMARKS patch PCOA P:1 REMARKS patch PCOC P:9 REMARKS patch DIPP Q:2 Q:1 REMARKS patch DIPP Q:3 Q:2 REMARKS patch DIPP Q:4 Q:3 REMARKS patch DIPP Q:5 Q:4 REMARKS patch DIPP Q:6 Q:5 REMARKS patch DIPP Q:7 Q:6 REMARKS patch DIPP Q:8 Q:7 REMARKS patch DIPP Q:9 Q:8 REMARKS patch PCOA Q:1 REMARKS patch PCOC Q:9 REMARKS patch DIPP R:2 R:1 REMARKS patch DIPP R:3 R:2 REMARKS patch DIPP R:4 R:3 REMARKS patch DIPP R:5 R:4 REMARKS patch DIPP R:6 R:5 REMARKS patch DIPP R:7 R:6 REMARKS patch DIPP R:8 R:7 REMARKS patch DIPP R:9 R:8 REMARKS patch PCOA R:1 REMARKS patch PCOC R:9 REMARKS patch DIPP S:2 S:1 REMARKS patch DIPP S:3 S:2 REMARKS patch DIPP S:4 S:3 REMARKS patch DIPP S:5 S:4 REMARKS patch DIPP S:6 S:5 REMARKS patch DIPP S:7 S:6 REMARKS patch DIPP S:8 S:7 REMARKS patch DIPP S:9 S:8 REMARKS patch PCOA S:1 REMARKS patch PCOC S:9 REMARKS patch DIPP T:2 T:1 REMARKS patch DIPP T:3 T:2 REMARKS patch DIPP T:4 T:3 REMARKS patch DIPP T:5 T:4 REMARKS patch DIPP T:6 T:5 REMARKS patch DIPP T:7 T:6 REMARKS patch DIPP T:8 T:7 REMARKS patch DIPP T:9 T:8 REMARKS patch PCOA T:1 REMARKS patch PCOC T:9 REMARKS patch DIPP U:2 U:1 REMARKS patch DIPP U:3 U:2 REMARKS patch DIPP U:4 U:3 REMARKS patch DIPP U:5 U:4 REMARKS patch DIPP U:6 U:5 REMARKS patch DIPP U:7 U:6 REMARKS patch DIPP U:8 U:7 REMARKS patch DIPP U:9 U:8 REMARKS patch PCOA U:1 REMARKS patch PCOC U:9 REMARKS patch DIPP V:2 V:1 REMARKS patch DIPP V:3 V:2 REMARKS patch DIPP V:4 V:3 REMARKS patch DIPP V:5 V:4 REMARKS patch DIPP V:6 V:5 REMARKS patch DIPP V:7 V:6 REMARKS patch DIPP V:8 V:7 REMARKS patch DIPP V:9 V:8 REMARKS patch PCOA V:1 REMARKS patch PCOC V:9 REMARKS patch DIPP W:2 W:1 REMARKS patch DIPP W:3 W:2 REMARKS patch DIPP W:4 W:3 REMARKS patch DIPP W:5 W:4 REMARKS patch DIPP W:6 W:5 REMARKS patch DIPP W:7 W:6 REMARKS patch DIPP W:8 W:7 REMARKS patch DIPP W:9 W:8 REMARKS patch PCOA W:1 REMARKS patch PCOC W:9 REMARKS patch DIPP X:2 X:1 REMARKS patch DIPP X:3 X:2 REMARKS patch DIPP X:4 X:3 REMARKS patch DIPP X:5 X:4 REMARKS patch DIPP X:6 X:5 REMARKS patch DIPP X:7 X:6 REMARKS patch DIPP X:8 X:7 REMARKS patch DIPP X:9 X:8 REMARKS patch PCOA X:1 REMARKS patch PCOC X:9 REMARKS patch DIPP Y:2 Y:1 REMARKS patch DIPP Y:3 Y:2 REMARKS patch DIPP Y:4 Y:3 REMARKS patch DIPP Y:5 Y:4 REMARKS patch DIPP Y:6 Y:5 REMARKS patch DIPP Y:7 Y:6 REMARKS patch DIPP Y:8 Y:7 REMARKS patch DIPP Y:9 Y:8 REMARKS patch PCOA Y:1 REMARKS patch PCOC Y:9 REMARKS patch DIPP Z:2 Z:1 REMARKS patch DIPP Z:3 Z:2 REMARKS patch DIPP Z:4 Z:3 REMARKS patch DIPP Z:5 Z:4 REMARKS patch DIPP Z:6 Z:5 REMARKS patch DIPP Z:7 Z:6 REMARKS patch DIPP Z:8 Z:7 REMARKS patch DIPP Z:9 Z:8 REMARKS patch PCOA Z:1 REMARKS patch PCOC Z:9 REMARKS patch DIPP AA:2 AA:1 REMARKS patch DIPP AA:3 AA:2 REMARKS patch DIPP AA:4 AA:3 REMARKS patch DIPP AA:5 AA:4 REMARKS patch DIPP AA:6 AA:5 REMARKS patch DIPP AA:7 AA:6 REMARKS patch DIPP AA:8 AA:7 REMARKS patch DIPP AA:9 AA:8 REMARKS patch PCOA AA:1 REMARKS patch PCOC AA:9 REMARKS patch DIPP AB:2 AB:1 REMARKS patch DIPP AB:3 AB:2 REMARKS patch DIPP AB:4 AB:3 REMARKS patch DIPP AB:5 AB:4 REMARKS patch DIPP AB:6 AB:5 REMARKS patch DIPP AB:7 AB:6 REMARKS patch DIPP AB:8 AB:7 REMARKS patch DIPP AB:9 AB:8 REMARKS patch PCOA AB:1 REMARKS patch PCOC AB:9 REMARKS patch DIPP AC:2 AC:1 REMARKS patch DIPP AC:3 AC:2 REMARKS patch DIPP AC:4 AC:3 REMARKS patch DIPP AC:5 AC:4 REMARKS patch DIPP AC:6 AC:5 REMARKS patch DIPP AC:7 AC:6 REMARKS patch DIPP AC:8 AC:7 REMARKS patch DIPP AC:9 AC:8 REMARKS patch PCOA AC:1 REMARKS patch PCOC AC:9 REMARKS patch DIPP AD:2 AD:1 REMARKS patch DIPP AD:3 AD:2 REMARKS patch DIPP AD:4 AD:3 REMARKS patch DIPP AD:5 AD:4 REMARKS patch DIPP AD:6 AD:5 REMARKS patch DIPP AD:7 AD:6 REMARKS patch DIPP AD:8 AD:7 REMARKS patch DIPP AD:9 AD:8 REMARKS patch PCOA AD:1 REMARKS patch PCOC AD:9 REMARKS patch DIPP AE:2 AE:1 REMARKS patch DIPP AE:3 AE:2 REMARKS patch DIPP AE:4 AE:3 REMARKS patch DIPP AE:5 AE:4 REMARKS patch DIPP AE:6 AE:5 REMARKS patch DIPP AE:7 AE:6 REMARKS patch DIPP AE:8 AE:7 REMARKS patch DIPP AE:9 AE:8 REMARKS patch PCOA AE:1 REMARKS patch PCOC AE:9 REMARKS patch DIPP AF:2 AF:1 REMARKS patch DIPP AF:3 AF:2 REMARKS patch DIPP AF:4 AF:3 REMARKS patch DIPP AF:5 AF:4 REMARKS patch DIPP AF:6 AF:5 REMARKS patch DIPP AF:7 AF:6 REMARKS patch DIPP AF:8 AF:7 REMARKS patch DIPP AF:9 AF:8 REMARKS patch PCOA AF:1 REMARKS patch PCOC AF:9 REMARKS patch DIPP AG:2 AG:1 REMARKS patch DIPP AG:3 AG:2 REMARKS patch DIPP AG:4 AG:3 REMARKS patch DIPP AG:5 AG:4 REMARKS patch DIPP AG:6 AG:5 REMARKS patch DIPP AG:7 AG:6 REMARKS patch DIPP AG:8 AG:7 REMARKS patch DIPP AG:9 AG:8 REMARKS patch PCOA AG:1 REMARKS patch PCOC AG:9 REMARKS patch DIPP AH:2 AH:1 REMARKS patch DIPP AH:3 AH:2 REMARKS patch DIPP AH:4 AH:3 REMARKS patch DIPP AH:5 AH:4 REMARKS patch DIPP AH:6 AH:5 REMARKS patch DIPP AH:7 AH:6 REMARKS patch DIPP AH:8 AH:7 REMARKS patch DIPP AH:9 AH:8 REMARKS patch PCOA AH:1 REMARKS patch PCOC AH:9 REMARKS patch DIPP AI:2 AI:1 REMARKS patch DIPP AI:3 AI:2 REMARKS patch DIPP AI:4 AI:3 REMARKS patch DIPP AI:5 AI:4 REMARKS patch DIPP AI:6 AI:5 REMARKS patch DIPP AI:7 AI:6 REMARKS patch DIPP AI:8 AI:7 REMARKS patch DIPP AI:9 AI:8 REMARKS patch PCOA AI:1 REMARKS patch PCOC AI:9 REMARKS patch DIPP AJ:2 AJ:1 REMARKS patch DIPP AJ:3 AJ:2 REMARKS patch DIPP AJ:4 AJ:3 REMARKS patch DIPP AJ:5 AJ:4 REMARKS patch DIPP AJ:6 AJ:5 REMARKS patch DIPP AJ:7 AJ:6 REMARKS patch DIPP AJ:8 AJ:7 REMARKS patch DIPP AJ:9 AJ:8 REMARKS patch PCOA AJ:1 REMARKS patch PCOC AJ:9 REMARKS patch DIPP AK:2 AK:1 REMARKS patch DIPP AK:3 AK:2 REMARKS patch DIPP AK:4 AK:3 REMARKS patch DIPP AK:5 AK:4 REMARKS patch DIPP AK:6 AK:5 REMARKS patch DIPP AK:7 AK:6 REMARKS patch DIPP AK:8 AK:7 REMARKS patch DIPP AK:9 AK:8 REMARKS patch PCOA AK:1 REMARKS patch PCOC AK:9 REMARKS patch DIPP AL:2 AL:1 REMARKS patch DIPP AL:3 AL:2 REMARKS patch DIPP AL:4 AL:3 REMARKS patch DIPP AL:5 AL:4 REMARKS patch DIPP AL:6 AL:5 REMARKS patch DIPP AL:7 AL:6 REMARKS patch DIPP AL:8 AL:7 REMARKS patch DIPP AL:9 AL:8 REMARKS patch PCOA AL:1 REMARKS patch PCOC AL:9 REMARKS patch DIPP AM:2 AM:1 REMARKS patch DIPP AM:3 AM:2 REMARKS patch DIPP AM:4 AM:3 REMARKS patch DIPP AM:5 AM:4 REMARKS patch DIPP AM:6 AM:5 REMARKS patch DIPP AM:7 AM:6 REMARKS patch DIPP AM:8 AM:7 REMARKS patch DIPP AM:9 AM:8 REMARKS patch PCOA AM:1 REMARKS patch PCOC AM:9 REMARKS patch DIPP AN:2 AN:1 REMARKS patch DIPP AN:3 AN:2 REMARKS patch DIPP AN:4 AN:3 REMARKS patch DIPP AN:5 AN:4 REMARKS patch DIPP AN:6 AN:5 REMARKS patch DIPP AN:7 AN:6 REMARKS patch DIPP AN:8 AN:7 REMARKS patch DIPP AN:9 AN:8 REMARKS patch PCOA AN:1 REMARKS patch PCOC AN:9 REMARKS patch DIPP AO:2 AO:1 REMARKS patch DIPP AO:3 AO:2 REMARKS patch DIPP AO:4 AO:3 REMARKS patch DIPP AO:5 AO:4 REMARKS patch DIPP AO:6 AO:5 REMARKS patch DIPP AO:7 AO:6 REMARKS patch DIPP AO:8 AO:7 REMARKS patch DIPP AO:9 AO:8 REMARKS patch PCOA AO:1 REMARKS patch PCOC AO:9 REMARKS patch DIPP AP:2 AP:1 REMARKS patch DIPP AP:3 AP:2 REMARKS patch DIPP AP:4 AP:3 REMARKS patch DIPP AP:5 AP:4 REMARKS patch DIPP AP:6 AP:5 REMARKS patch DIPP AP:7 AP:6 REMARKS patch DIPP AP:8 AP:7 REMARKS patch DIPP AP:9 AP:8 REMARKS patch PCOA AP:1 REMARKS patch PCOC AP:9 REMARKS patch DIPP AQ:2 AQ:1 REMARKS patch DIPP AQ:3 AQ:2 REMARKS patch DIPP AQ:4 AQ:3 REMARKS patch DIPP AQ:5 AQ:4 REMARKS patch DIPP AQ:6 AQ:5 REMARKS patch DIPP AQ:7 AQ:6 REMARKS patch DIPP AQ:8 AQ:7 REMARKS patch DIPP AQ:9 AQ:8 REMARKS patch PCOA AQ:1 REMARKS patch PCOC AQ:9 REMARKS patch DIPP AR:2 AR:1 REMARKS patch DIPP AR:3 AR:2 REMARKS patch DIPP AR:4 AR:3 REMARKS patch DIPP AR:5 AR:4 REMARKS patch DIPP AR:6 AR:5 REMARKS patch DIPP AR:7 AR:6 REMARKS patch DIPP AR:8 AR:7 REMARKS patch DIPP AR:9 AR:8 REMARKS patch PCOA AR:1 REMARKS patch PCOC AR:9 REMARKS patch DIPP AS:2 AS:1 REMARKS patch DIPP AS:3 AS:2 REMARKS patch DIPP AS:4 AS:3 REMARKS patch DIPP AS:5 AS:4 REMARKS patch DIPP AS:6 AS:5 REMARKS patch DIPP AS:7 AS:6 REMARKS patch DIPP AS:8 AS:7 REMARKS patch DIPP AS:9 AS:8 REMARKS patch PCOA AS:1 REMARKS patch PCOC AS:9 REMARKS patch DIPP AT:2 AT:1 REMARKS patch DIPP AT:3 AT:2 REMARKS patch DIPP AT:4 AT:3 REMARKS patch DIPP AT:5 AT:4 REMARKS patch DIPP AT:6 AT:5 REMARKS patch DIPP AT:7 AT:6 REMARKS patch DIPP AT:8 AT:7 REMARKS patch DIPP AT:9 AT:8 REMARKS patch PCOA AT:1 REMARKS patch PCOC AT:9 REMARKS patch DIPP AU:2 AU:1 REMARKS patch DIPP AU:3 AU:2 REMARKS patch DIPP AU:4 AU:3 REMARKS patch DIPP AU:5 AU:4 REMARKS patch DIPP AU:6 AU:5 REMARKS patch DIPP AU:7 AU:6 REMARKS patch DIPP AU:8 AU:7 REMARKS patch DIPP AU:9 AU:8 REMARKS patch PCOA AU:1 REMARKS patch PCOC AU:9 REMARKS patch DIPP AV:2 AV:1 REMARKS patch DIPP AV:3 AV:2 REMARKS patch DIPP AV:4 AV:3 REMARKS patch DIPP AV:5 AV:4 REMARKS patch DIPP AV:6 AV:5 REMARKS patch DIPP AV:7 AV:6 REMARKS patch DIPP AV:8 AV:7 REMARKS patch DIPP AV:9 AV:8 REMARKS patch PCOA AV:1 REMARKS patch PCOC AV:9 REMARKS patch DIPP AW:2 AW:1 REMARKS patch DIPP AW:3 AW:2 REMARKS patch DIPP AW:4 AW:3 REMARKS patch DIPP AW:5 AW:4 REMARKS patch DIPP AW:6 AW:5 REMARKS patch DIPP AW:7 AW:6 REMARKS patch DIPP AW:8 AW:7 REMARKS patch DIPP AW:9 AW:8 REMARKS patch PCOA AW:1 REMARKS patch PCOC AW:9 REMARKS patch DIPP AX:2 AX:1 REMARKS patch DIPP AX:3 AX:2 REMARKS patch DIPP AX:4 AX:3 REMARKS patch DIPP AX:5 AX:4 REMARKS patch DIPP AX:6 AX:5 REMARKS patch DIPP AX:7 AX:6 REMARKS patch DIPP AX:8 AX:7 REMARKS patch DIPP AX:9 AX:8 REMARKS patch PCOA AX:1 REMARKS patch PCOC AX:9 REMARKS patch DIPP AY:2 AY:1 REMARKS patch DIPP AY:3 AY:2 REMARKS patch DIPP AY:4 AY:3 REMARKS patch DIPP AY:5 AY:4 REMARKS patch DIPP AY:6 AY:5 REMARKS patch DIPP AY:7 AY:6 REMARKS patch DIPP AY:8 AY:7 REMARKS patch DIPP AY:9 AY:8 REMARKS patch PCOA AY:1 REMARKS patch PCOC AY:9 REMARKS patch DIPP AZ:2 AZ:1 REMARKS patch DIPP AZ:3 AZ:2 REMARKS patch DIPP AZ:4 AZ:3 REMARKS patch DIPP AZ:5 AZ:4 REMARKS patch DIPP AZ:6 AZ:5 REMARKS patch DIPP AZ:7 AZ:6 REMARKS patch DIPP AZ:8 AZ:7 REMARKS patch DIPP AZ:9 AZ:8 REMARKS patch PCOA AZ:1 REMARKS patch PCOC AZ:9 REMARKS patch DIPP BA:2 BA:1 REMARKS patch DIPP BA:3 BA:2 REMARKS patch DIPP BA:4 BA:3 REMARKS patch DIPP BA:5 BA:4 REMARKS patch DIPP BA:6 BA:5 REMARKS patch DIPP BA:7 BA:6 REMARKS patch DIPP BA:8 BA:7 REMARKS patch DIPP BA:9 BA:8 REMARKS patch PCOA BA:1 REMARKS patch PCOC BA:9 REMARKS patch DIPP BB:2 BB:1 REMARKS patch DIPP BB:3 BB:2 REMARKS patch DIPP BB:4 BB:3 REMARKS patch DIPP BB:5 BB:4 REMARKS patch DIPP BB:6 BB:5 REMARKS patch DIPP BB:7 BB:6 REMARKS patch DIPP BB:8 BB:7 REMARKS patch DIPP BB:9 BB:8 REMARKS patch PCOA BB:1 REMARKS patch PCOC BB:9 REMARKS patch DIPP BC:2 BC:1 REMARKS patch DIPP BC:3 BC:2 REMARKS patch DIPP BC:4 BC:3 REMARKS patch DIPP BC:5 BC:4 REMARKS patch DIPP BC:6 BC:5 REMARKS patch DIPP BC:7 BC:6 REMARKS patch DIPP BC:8 BC:7 REMARKS patch DIPP BC:9 BC:8 REMARKS patch PCOA BC:1 REMARKS patch PCOC BC:9 REMARKS patch DIPP BD:2 BD:1 REMARKS patch DIPP BD:3 BD:2 REMARKS patch DIPP BD:4 BD:3 REMARKS patch DIPP BD:5 BD:4 REMARKS patch DIPP BD:6 BD:5 REMARKS patch DIPP BD:7 BD:6 REMARKS patch DIPP BD:8 BD:7 REMARKS patch DIPP BD:9 BD:8 REMARKS patch PCOA BD:1 REMARKS patch PCOC BD:9 REMARKS patch DIPP BE:2 BE:1 REMARKS patch DIPP BE:3 BE:2 REMARKS patch DIPP BE:4 BE:3 REMARKS patch DIPP BE:5 BE:4 REMARKS patch DIPP BE:6 BE:5 REMARKS patch DIPP BE:7 BE:6 REMARKS patch DIPP BE:8 BE:7 REMARKS patch DIPP BE:9 BE:8 REMARKS patch PCOA BE:1 REMARKS patch PCOC BE:9 REMARKS patch DIPP BF:2 BF:1 REMARKS patch DIPP BF:3 BF:2 REMARKS patch DIPP BF:4 BF:3 REMARKS patch DIPP BF:5 BF:4 REMARKS patch DIPP BF:6 BF:5 REMARKS patch DIPP BF:7 BF:6 REMARKS patch DIPP BF:8 BF:7 REMARKS patch DIPP BF:9 BF:8 REMARKS patch PCOA BF:1 REMARKS patch PCOC BF:9 REMARKS patch DIPP BG:2 BG:1 REMARKS patch DIPP BG:3 BG:2 REMARKS patch DIPP BG:4 BG:3 REMARKS patch DIPP BG:5 BG:4 REMARKS patch DIPP BG:6 BG:5 REMARKS patch DIPP BG:7 BG:6 REMARKS patch DIPP BG:8 BG:7 REMARKS patch DIPP BG:9 BG:8 REMARKS patch PCOA BG:1 REMARKS patch PCOC BG:9 REMARKS patch DIPP BH:2 BH:1 REMARKS patch DIPP BH:3 BH:2 REMARKS patch DIPP BH:4 BH:3 REMARKS patch DIPP BH:5 BH:4 REMARKS patch DIPP BH:6 BH:5 REMARKS patch DIPP BH:7 BH:6 REMARKS patch DIPP BH:8 BH:7 REMARKS patch DIPP BH:9 BH:8 REMARKS patch PCOA BH:1 REMARKS patch PCOC BH:9 REMARKS patch DIPP BI:2 BI:1 REMARKS patch DIPP BI:3 BI:2 REMARKS patch DIPP BI:4 BI:3 REMARKS patch DIPP BI:5 BI:4 REMARKS patch DIPP BI:6 BI:5 REMARKS patch DIPP BI:7 BI:6 REMARKS patch DIPP BI:8 BI:7 REMARKS patch DIPP BI:9 BI:8 REMARKS patch PCOA BI:1 REMARKS patch PCOC BI:9 REMARKS patch DIPP BJ:2 BJ:1 REMARKS patch DIPP BJ:3 BJ:2 REMARKS patch DIPP BJ:4 BJ:3 REMARKS patch DIPP BJ:5 BJ:4 REMARKS patch DIPP BJ:6 BJ:5 REMARKS patch DIPP BJ:7 BJ:6 REMARKS patch DIPP BJ:8 BJ:7 REMARKS patch DIPP BJ:9 BJ:8 REMARKS patch PCOA BJ:1 REMARKS patch PCOC BJ:9 REMARKS patch DIPP BK:2 BK:1 REMARKS patch DIPP BK:3 BK:2 REMARKS patch DIPP BK:4 BK:3 REMARKS patch DIPP BK:5 BK:4 REMARKS patch DIPP BK:6 BK:5 REMARKS patch DIPP BK:7 BK:6 REMARKS patch DIPP BK:8 BK:7 REMARKS patch DIPP BK:9 BK:8 REMARKS patch PCOA BK:1 REMARKS patch PCOC BK:9 REMARKS patch DIPP BL:2 BL:1 REMARKS patch DIPP BL:3 BL:2 REMARKS patch DIPP BL:4 BL:3 REMARKS patch DIPP BL:5 BL:4 REMARKS patch DIPP BL:6 BL:5 REMARKS patch DIPP BL:7 BL:6 REMARKS patch DIPP BL:8 BL:7 REMARKS patch DIPP BL:9 BL:8 REMARKS patch PCOA BL:1 REMARKS patch PCOC BL:9 REMARKS patch DIPP BM:2 BM:1 REMARKS patch DIPP BM:3 BM:2 REMARKS patch DIPP BM:4 BM:3 REMARKS patch DIPP BM:5 BM:4 REMARKS patch DIPP BM:6 BM:5 REMARKS patch DIPP BM:7 BM:6 REMARKS patch DIPP BM:8 BM:7 REMARKS patch DIPP BM:9 BM:8 REMARKS patch PCOA BM:1 REMARKS patch PCOC BM:9 REMARKS patch DIPP BN:2 BN:1 REMARKS patch DIPP BN:3 BN:2 REMARKS patch DIPP BN:4 BN:3 REMARKS patch DIPP BN:5 BN:4 REMARKS patch DIPP BN:6 BN:5 REMARKS patch DIPP BN:7 BN:6 REMARKS patch DIPP BN:8 BN:7 REMARKS patch DIPP BN:9 BN:8 REMARKS patch PCOA BN:1 REMARKS patch PCOC BN:9 REMARKS patch DIPP BO:2 BO:1 REMARKS patch DIPP BO:3 BO:2 REMARKS patch DIPP BO:4 BO:3 REMARKS patch DIPP BO:5 BO:4 REMARKS patch DIPP BO:6 BO:5 REMARKS patch DIPP BO:7 BO:6 REMARKS patch DIPP BO:8 BO:7 REMARKS patch DIPP BO:9 BO:8 REMARKS patch PCOA BO:1 REMARKS patch PCOC BO:9 REMARKS patch DIPP BP:2 BP:1 REMARKS patch DIPP BP:3 BP:2 REMARKS patch DIPP BP:4 BP:3 REMARKS patch DIPP BP:5 BP:4 REMARKS patch DIPP BP:6 BP:5 REMARKS patch DIPP BP:7 BP:6 REMARKS patch DIPP BP:8 BP:7 REMARKS patch DIPP BP:9 BP:8 REMARKS patch PCOA BP:1 REMARKS patch PCOC BP:9 REMARKS patch DIPP BQ:2 BQ:1 REMARKS patch DIPP BQ:3 BQ:2 REMARKS patch DIPP BQ:4 BQ:3 REMARKS patch DIPP BQ:5 BQ:4 REMARKS patch DIPP BQ:6 BQ:5 REMARKS patch DIPP BQ:7 BQ:6 REMARKS patch DIPP BQ:8 BQ:7 REMARKS patch DIPP BQ:9 BQ:8 REMARKS patch PCOA BQ:1 REMARKS patch PCOC BQ:9 REMARKS patch DIPP BR:2 BR:1 REMARKS patch DIPP BR:3 BR:2 REMARKS patch DIPP BR:4 BR:3 REMARKS patch DIPP BR:5 BR:4 REMARKS patch DIPP BR:6 BR:5 REMARKS patch DIPP BR:7 BR:6 REMARKS patch DIPP BR:8 BR:7 REMARKS patch DIPP BR:9 BR:8 REMARKS patch PCOA BR:1 REMARKS patch PCOC BR:9 REMARKS patch DIPP BS:2 BS:1 REMARKS patch DIPP BS:3 BS:2 REMARKS patch DIPP BS:4 BS:3 REMARKS patch DIPP BS:5 BS:4 REMARKS patch DIPP BS:6 BS:5 REMARKS patch DIPP BS:7 BS:6 REMARKS patch DIPP BS:8 BS:7 REMARKS patch DIPP BS:9 BS:8 REMARKS patch PCOA BS:1 REMARKS patch PCOC BS:9 REMARKS patch DIPP BT:2 BT:1 REMARKS patch DIPP BT:3 BT:2 REMARKS patch DIPP BT:4 BT:3 REMARKS patch DIPP BT:5 BT:4 REMARKS patch DIPP BT:6 BT:5 REMARKS patch DIPP BT:7 BT:6 REMARKS patch DIPP BT:8 BT:7 REMARKS patch DIPP BT:9 BT:8 REMARKS patch PCOA BT:1 REMARKS patch PCOC BT:9 REMARKS patch DIPP BU:2 BU:1 REMARKS patch DIPP BU:3 BU:2 REMARKS patch DIPP BU:4 BU:3 REMARKS patch DIPP BU:5 BU:4 REMARKS patch DIPP BU:6 BU:5 REMARKS patch DIPP BU:7 BU:6 REMARKS patch DIPP BU:8 BU:7 REMARKS patch DIPP BU:9 BU:8 REMARKS patch PCOA BU:1 REMARKS patch PCOC BU:9 REMARKS patch DIPP BV:2 BV:1 REMARKS patch DIPP BV:3 BV:2 REMARKS patch DIPP BV:4 BV:3 REMARKS patch DIPP BV:5 BV:4 REMARKS patch DIPP BV:6 BV:5 REMARKS patch DIPP BV:7 BV:6 REMARKS patch DIPP BV:8 BV:7 REMARKS patch DIPP BV:9 BV:8 REMARKS patch PCOA BV:1 REMARKS patch PCOC BV:9 REMARKS patch DIPP BW:2 BW:1 REMARKS patch DIPP BW:3 BW:2 REMARKS patch DIPP BW:4 BW:3 REMARKS patch DIPP BW:5 BW:4 REMARKS patch DIPP BW:6 BW:5 REMARKS patch DIPP BW:7 BW:6 REMARKS patch DIPP BW:8 BW:7 REMARKS patch DIPP BW:9 BW:8 REMARKS patch PCOA BW:1 REMARKS patch PCOC BW:9 REMARKS patch DIPP BX:2 BX:1 REMARKS patch DIPP BX:3 BX:2 REMARKS patch DIPP BX:4 BX:3 REMARKS patch DIPP BX:5 BX:4 REMARKS patch DIPP BX:6 BX:5 REMARKS patch DIPP BX:7 BX:6 REMARKS patch DIPP BX:8 BX:7 REMARKS patch DIPP BX:9 BX:8 REMARKS patch PCOA BX:1 REMARKS patch PCOC BX:9 REMARKS patch DIPP BY:2 BY:1 REMARKS patch DIPP BY:3 BY:2 REMARKS patch DIPP BY:4 BY:3 REMARKS patch DIPP BY:5 BY:4 REMARKS patch DIPP BY:6 BY:5 REMARKS patch DIPP BY:7 BY:6 REMARKS patch DIPP BY:8 BY:7 REMARKS patch DIPP BY:9 BY:8 REMARKS patch PCOA BY:1 REMARKS patch PCOC BY:9 REMARKS patch DIPP BZ:2 BZ:1 REMARKS patch DIPP BZ:3 BZ:2 REMARKS patch DIPP BZ:4 BZ:3 REMARKS patch DIPP BZ:5 BZ:4 REMARKS patch DIPP BZ:6 BZ:5 REMARKS patch DIPP BZ:7 BZ:6 REMARKS patch DIPP BZ:8 BZ:7 REMARKS patch DIPP BZ:9 BZ:8 REMARKS patch PCOA BZ:1 REMARKS patch PCOC BZ:9 REMARKS patch DIPP CA:2 CA:1 REMARKS patch DIPP CA:3 CA:2 REMARKS patch DIPP CA:4 CA:3 REMARKS patch DIPP CA:5 CA:4 REMARKS patch DIPP CA:6 CA:5 REMARKS patch DIPP CA:7 CA:6 REMARKS patch DIPP CA:8 CA:7 REMARKS patch DIPP CA:9 CA:8 REMARKS patch PCOA CA:1 REMARKS patch PCOC CA:9 REMARKS patch DIPP CB:2 CB:1 REMARKS patch DIPP CB:3 CB:2 REMARKS patch DIPP CB:4 CB:3 REMARKS patch DIPP CB:5 CB:4 REMARKS patch DIPP CB:6 CB:5 REMARKS patch DIPP CB:7 CB:6 REMARKS patch DIPP CB:8 CB:7 REMARKS patch DIPP CB:9 CB:8 REMARKS patch PCOA CB:1 REMARKS patch PCOC CB:9 REMARKS patch DIPP CC:2 CC:1 REMARKS patch DIPP CC:3 CC:2 REMARKS patch DIPP CC:4 CC:3 REMARKS patch DIPP CC:5 CC:4 REMARKS patch DIPP CC:6 CC:5 REMARKS patch DIPP CC:7 CC:6 REMARKS patch DIPP CC:8 CC:7 REMARKS patch DIPP CC:9 CC:8 REMARKS patch PCOA CC:1 REMARKS patch PCOC CC:9 REMARKS patch DIPP CD:2 CD:1 REMARKS patch DIPP CD:3 CD:2 REMARKS patch DIPP CD:4 CD:3 REMARKS patch DIPP CD:5 CD:4 REMARKS patch DIPP CD:6 CD:5 REMARKS patch DIPP CD:7 CD:6 REMARKS patch DIPP CD:8 CD:7 REMARKS patch DIPP CD:9 CD:8 REMARKS patch PCOA CD:1 REMARKS patch PCOC CD:9 REMARKS patch DIPP CE:2 CE:1 REMARKS patch DIPP CE:3 CE:2 REMARKS patch DIPP CE:4 CE:3 REMARKS patch DIPP CE:5 CE:4 REMARKS patch DIPP CE:6 CE:5 REMARKS patch DIPP CE:7 CE:6 REMARKS patch DIPP CE:8 CE:7 REMARKS patch DIPP CE:9 CE:8 REMARKS patch PCOA CE:1 REMARKS patch PCOC CE:9 REMARKS patch DIPP CF:2 CF:1 REMARKS patch DIPP CF:3 CF:2 REMARKS patch DIPP CF:4 CF:3 REMARKS patch DIPP CF:5 CF:4 REMARKS patch DIPP CF:6 CF:5 REMARKS patch DIPP CF:7 CF:6 REMARKS patch DIPP CF:8 CF:7 REMARKS patch DIPP CF:9 CF:8 REMARKS patch PCOA CF:1 REMARKS patch PCOC CF:9 REMARKS patch DIPP CG:2 CG:1 REMARKS patch DIPP CG:3 CG:2 REMARKS patch DIPP CG:4 CG:3 REMARKS patch DIPP CG:5 CG:4 REMARKS patch DIPP CG:6 CG:5 REMARKS patch DIPP CG:7 CG:6 REMARKS patch DIPP CG:8 CG:7 REMARKS patch DIPP CG:9 CG:8 REMARKS patch PCOA CG:1 REMARKS patch PCOC CG:9 REMARKS patch DIPP CH:2 CH:1 REMARKS patch DIPP CH:3 CH:2 REMARKS patch DIPP CH:4 CH:3 REMARKS patch DIPP CH:5 CH:4 REMARKS patch DIPP CH:6 CH:5 REMARKS patch DIPP CH:7 CH:6 REMARKS patch DIPP CH:8 CH:7 REMARKS patch DIPP CH:9 CH:8 REMARKS patch PCOA CH:1 REMARKS patch PCOC CH:9 REMARKS patch DIPP CI:2 CI:1 REMARKS patch DIPP CI:3 CI:2 REMARKS patch DIPP CI:4 CI:3 REMARKS patch DIPP CI:5 CI:4 REMARKS patch DIPP CI:6 CI:5 REMARKS patch DIPP CI:7 CI:6 REMARKS patch DIPP CI:8 CI:7 REMARKS patch DIPP CI:9 CI:8 REMARKS patch PCOA CI:1 REMARKS patch PCOC CI:9 REMARKS patch DIPP CJ:2 CJ:1 REMARKS patch DIPP CJ:3 CJ:2 REMARKS patch DIPP CJ:4 CJ:3 REMARKS patch DIPP CJ:5 CJ:4 REMARKS patch DIPP CJ:6 CJ:5 REMARKS patch DIPP CJ:7 CJ:6 REMARKS patch DIPP CJ:8 CJ:7 REMARKS patch DIPP CJ:9 CJ:8 REMARKS patch PCOA CJ:1 REMARKS patch PCOC CJ:9 REMARKS patch DIPP CK:2 CK:1 REMARKS patch DIPP CK:3 CK:2 REMARKS patch DIPP CK:4 CK:3 REMARKS patch DIPP CK:5 CK:4 REMARKS patch DIPP CK:6 CK:5 REMARKS patch DIPP CK:7 CK:6 REMARKS patch DIPP CK:8 CK:7 REMARKS patch DIPP CK:9 CK:8 REMARKS patch PCOA CK:1 REMARKS patch PCOC CK:9 REMARKS patch DIPP CL:2 CL:1 REMARKS patch DIPP CL:3 CL:2 REMARKS patch DIPP CL:4 CL:3 REMARKS patch DIPP CL:5 CL:4 REMARKS patch DIPP CL:6 CL:5 REMARKS patch DIPP CL:7 CL:6 REMARKS patch DIPP CL:8 CL:7 REMARKS patch DIPP CL:9 CL:8 REMARKS patch PCOA CL:1 REMARKS patch PCOC CL:9 REMARKS patch DIPP CM:2 CM:1 REMARKS patch DIPP CM:3 CM:2 REMARKS patch DIPP CM:4 CM:3 REMARKS patch DIPP CM:5 CM:4 REMARKS patch DIPP CM:6 CM:5 REMARKS patch DIPP CM:7 CM:6 REMARKS patch DIPP CM:8 CM:7 REMARKS patch DIPP CM:9 CM:8 REMARKS patch PCOA CM:1 REMARKS patch PCOC CM:9 REMARKS patch DIPP CN:2 CN:1 REMARKS patch DIPP CN:3 CN:2 REMARKS patch DIPP CN:4 CN:3 REMARKS patch DIPP CN:5 CN:4 REMARKS patch DIPP CN:6 CN:5 REMARKS patch DIPP CN:7 CN:6 REMARKS patch DIPP CN:8 CN:7 REMARKS patch DIPP CN:9 CN:8 REMARKS patch PCOA CN:1 REMARKS patch PCOC CN:9 REMARKS patch DIPP CO:2 CO:1 REMARKS patch DIPP CO:3 CO:2 REMARKS patch DIPP CO:4 CO:3 REMARKS patch DIPP CO:5 CO:4 REMARKS patch DIPP CO:6 CO:5 REMARKS patch DIPP CO:7 CO:6 REMARKS patch DIPP CO:8 CO:7 REMARKS patch DIPP CO:9 CO:8 REMARKS patch PCOA CO:1 REMARKS patch PCOC CO:9 REMARKS patch DIPP CP:2 CP:1 REMARKS patch DIPP CP:3 CP:2 REMARKS patch DIPP CP:4 CP:3 REMARKS patch DIPP CP:5 CP:4 REMARKS patch DIPP CP:6 CP:5 REMARKS patch DIPP CP:7 CP:6 REMARKS patch DIPP CP:8 CP:7 REMARKS patch DIPP CP:9 CP:8 REMARKS patch PCOA CP:1 REMARKS patch PCOC CP:9 REMARKS patch DIPP CQ:2 CQ:1 REMARKS patch DIPP CQ:3 CQ:2 REMARKS patch DIPP CQ:4 CQ:3 REMARKS patch DIPP CQ:5 CQ:4 REMARKS patch DIPP CQ:6 CQ:5 REMARKS patch DIPP CQ:7 CQ:6 REMARKS patch DIPP CQ:8 CQ:7 REMARKS patch DIPP CQ:9 CQ:8 REMARKS patch PCOA CQ:1 REMARKS patch PCOC CQ:9 REMARKS patch DIPP CR:2 CR:1 REMARKS patch DIPP CR:3 CR:2 REMARKS patch DIPP CR:4 CR:3 REMARKS patch DIPP CR:5 CR:4 REMARKS patch DIPP CR:6 CR:5 REMARKS patch DIPP CR:7 CR:6 REMARKS patch DIPP CR:8 CR:7 REMARKS patch DIPP CR:9 CR:8 REMARKS patch PCOA CR:1 REMARKS patch PCOC CR:9 REMARKS patch DIPP CS:2 CS:1 REMARKS patch DIPP CS:3 CS:2 REMARKS patch DIPP CS:4 CS:3 REMARKS patch DIPP CS:5 CS:4 REMARKS patch DIPP CS:6 CS:5 REMARKS patch DIPP CS:7 CS:6 REMARKS patch DIPP CS:8 CS:7 REMARKS patch DIPP CS:9 CS:8 REMARKS patch PCOA CS:1 REMARKS patch PCOC CS:9 REMARKS patch DIPP CT:2 CT:1 REMARKS patch DIPP CT:3 CT:2 REMARKS patch DIPP CT:4 CT:3 REMARKS patch DIPP CT:5 CT:4 REMARKS patch DIPP CT:6 CT:5 REMARKS patch DIPP CT:7 CT:6 REMARKS patch DIPP CT:8 CT:7 REMARKS patch DIPP CT:9 CT:8 REMARKS patch PCOA CT:1 REMARKS patch PCOC CT:9 REMARKS patch DIPP CU:2 CU:1 REMARKS patch DIPP CU:3 CU:2 REMARKS patch DIPP CU:4 CU:3 REMARKS patch DIPP CU:5 CU:4 REMARKS patch DIPP CU:6 CU:5 REMARKS patch DIPP CU:7 CU:6 REMARKS patch DIPP CU:8 CU:7 REMARKS patch DIPP CU:9 CU:8 REMARKS patch PCOA CU:1 REMARKS patch PCOC CU:9 REMARKS patch DIPP CV:2 CV:1 REMARKS patch DIPP CV:3 CV:2 REMARKS patch DIPP CV:4 CV:3 REMARKS patch DIPP CV:5 CV:4 REMARKS patch DIPP CV:6 CV:5 REMARKS patch DIPP CV:7 CV:6 REMARKS patch DIPP CV:8 CV:7 REMARKS patch DIPP CV:9 CV:8 REMARKS patch PCOA CV:1 REMARKS patch PCOC CV:9 REMARKS patch DIPP CW:2 CW:1 REMARKS patch DIPP CW:3 CW:2 REMARKS patch DIPP CW:4 CW:3 REMARKS patch DIPP CW:5 CW:4 REMARKS patch DIPP CW:6 CW:5 REMARKS patch DIPP CW:7 CW:6 REMARKS patch DIPP CW:8 CW:7 REMARKS patch DIPP CW:9 CW:8 REMARKS patch PCOA CW:1 REMARKS patch PCOC CW:9 REMARKS patch DIPP CX:2 CX:1 REMARKS patch DIPP CX:3 CX:2 REMARKS patch DIPP CX:4 CX:3 REMARKS patch DIPP CX:5 CX:4 REMARKS patch DIPP CX:6 CX:5 REMARKS patch DIPP CX:7 CX:6 REMARKS patch DIPP CX:8 CX:7 REMARKS patch DIPP CX:9 CX:8 REMARKS patch PCOA CX:1 REMARKS patch PCOC CX:9 REMARKS patch DIPP CY:2 CY:1 REMARKS patch DIPP CY:3 CY:2 REMARKS patch DIPP CY:4 CY:3 REMARKS patch DIPP CY:5 CY:4 REMARKS patch DIPP CY:6 CY:5 REMARKS patch DIPP CY:7 CY:6 REMARKS patch DIPP CY:8 CY:7 REMARKS patch DIPP CY:9 CY:8 REMARKS patch PCOA CY:1 REMARKS patch PCOC CY:9 REMARKS patch DIPP CZ:2 CZ:1 REMARKS patch DIPP CZ:3 CZ:2 REMARKS patch DIPP CZ:4 CZ:3 REMARKS patch DIPP CZ:5 CZ:4 REMARKS patch DIPP CZ:6 CZ:5 REMARKS patch DIPP CZ:7 CZ:6 REMARKS patch DIPP CZ:8 CZ:7 REMARKS patch DIPP CZ:9 CZ:8 REMARKS patch PCOA CZ:1 REMARKS patch PCOC CZ:9 REMARKS patch DIPP DA:2 DA:1 REMARKS patch DIPP DA:3 DA:2 REMARKS patch DIPP DA:4 DA:3 REMARKS patch DIPP DA:5 DA:4 REMARKS patch DIPP DA:6 DA:5 REMARKS patch DIPP DA:7 DA:6 REMARKS patch DIPP DA:8 DA:7 REMARKS patch DIPP DA:9 DA:8 REMARKS patch PCOA DA:1 REMARKS patch PCOC DA:9 REMARKS patch DIPP DB:2 DB:1 REMARKS patch DIPP DB:3 DB:2 REMARKS patch DIPP DB:4 DB:3 REMARKS patch DIPP DB:5 DB:4 REMARKS patch DIPP DB:6 DB:5 REMARKS patch DIPP DB:7 DB:6 REMARKS patch DIPP DB:8 DB:7 REMARKS patch DIPP DB:9 DB:8 REMARKS patch PCOA DB:1 REMARKS patch PCOC DB:9 REMARKS patch DIPP DC:2 DC:1 REMARKS patch DIPP DC:3 DC:2 REMARKS patch DIPP DC:4 DC:3 REMARKS patch DIPP DC:5 DC:4 REMARKS patch DIPP DC:6 DC:5 REMARKS patch DIPP DC:7 DC:6 REMARKS patch DIPP DC:8 DC:7 REMARKS patch DIPP DC:9 DC:8 REMARKS patch PCOA DC:1 REMARKS patch PCOC DC:9 REMARKS patch DIPP DD:2 DD:1 REMARKS patch DIPP DD:3 DD:2 REMARKS patch DIPP DD:4 DD:3 REMARKS patch DIPP DD:5 DD:4 REMARKS patch DIPP DD:6 DD:5 REMARKS patch DIPP DD:7 DD:6 REMARKS patch DIPP DD:8 DD:7 REMARKS patch DIPP DD:9 DD:8 REMARKS patch PCOA DD:1 REMARKS patch PCOC DD:9 REMARKS patch DIPP DE:2 DE:1 REMARKS patch DIPP DE:3 DE:2 REMARKS patch DIPP DE:4 DE:3 REMARKS patch DIPP DE:5 DE:4 REMARKS patch DIPP DE:6 DE:5 REMARKS patch DIPP DE:7 DE:6 REMARKS patch DIPP DE:8 DE:7 REMARKS patch DIPP DE:9 DE:8 REMARKS patch PCOA DE:1 REMARKS patch PCOC DE:9 REMARKS patch DIPP DF:2 DF:1 REMARKS patch DIPP DF:3 DF:2 REMARKS patch DIPP DF:4 DF:3 REMARKS patch DIPP DF:5 DF:4 REMARKS patch DIPP DF:6 DF:5 REMARKS patch DIPP DF:7 DF:6 REMARKS patch DIPP DF:8 DF:7 REMARKS patch DIPP DF:9 DF:8 REMARKS patch PCOA DF:1 REMARKS patch PCOC DF:9 REMARKS patch DIPP DG:2 DG:1 REMARKS patch DIPP DG:3 DG:2 REMARKS patch DIPP DG:4 DG:3 REMARKS patch DIPP DG:5 DG:4 REMARKS patch DIPP DG:6 DG:5 REMARKS patch DIPP DG:7 DG:6 REMARKS patch DIPP DG:8 DG:7 REMARKS patch DIPP DG:9 DG:8 REMARKS patch PCOA DG:1 REMARKS patch PCOC DG:9 REMARKS patch DIPP DH:2 DH:1 REMARKS patch DIPP DH:3 DH:2 REMARKS patch DIPP DH:4 DH:3 REMARKS patch DIPP DH:5 DH:4 REMARKS patch DIPP DH:6 DH:5 REMARKS patch DIPP DH:7 DH:6 REMARKS patch DIPP DH:8 DH:7 REMARKS patch DIPP DH:9 DH:8 REMARKS patch PCOA DH:1 REMARKS patch PCOC DH:9 REMARKS patch DIPP DI:2 DI:1 REMARKS patch DIPP DI:3 DI:2 REMARKS patch DIPP DI:4 DI:3 REMARKS patch DIPP DI:5 DI:4 REMARKS patch DIPP DI:6 DI:5 REMARKS patch DIPP DI:7 DI:6 REMARKS patch DIPP DI:8 DI:7 REMARKS patch DIPP DI:9 DI:8 REMARKS patch PCOA DI:1 REMARKS patch PCOC DI:9 REMARKS patch DIPP DJ:2 DJ:1 REMARKS patch DIPP DJ:3 DJ:2 REMARKS patch DIPP DJ:4 DJ:3 REMARKS patch DIPP DJ:5 DJ:4 REMARKS patch DIPP DJ:6 DJ:5 REMARKS patch DIPP DJ:7 DJ:6 REMARKS patch DIPP DJ:8 DJ:7 REMARKS patch DIPP DJ:9 DJ:8 REMARKS patch PCOA DJ:1 REMARKS patch PCOC DJ:9 REMARKS patch DIPP DK:2 DK:1 REMARKS patch DIPP DK:3 DK:2 REMARKS patch DIPP DK:4 DK:3 REMARKS patch DIPP DK:5 DK:4 REMARKS patch DIPP DK:6 DK:5 REMARKS patch DIPP DK:7 DK:6 REMARKS patch DIPP DK:8 DK:7 REMARKS patch DIPP DK:9 DK:8 REMARKS patch PCOA DK:1 REMARKS patch PCOC DK:9 REMARKS patch DIPP DL:2 DL:1 REMARKS patch DIPP DL:3 DL:2 REMARKS patch DIPP DL:4 DL:3 REMARKS patch DIPP DL:5 DL:4 REMARKS patch DIPP DL:6 DL:5 REMARKS patch DIPP DL:7 DL:6 REMARKS patch DIPP DL:8 DL:7 REMARKS patch DIPP DL:9 DL:8 REMARKS patch PCOA DL:1 REMARKS patch PCOC DL:9 REMARKS patch DIPP DM:2 DM:1 REMARKS patch DIPP DM:3 DM:2 REMARKS patch DIPP DM:4 DM:3 REMARKS patch DIPP DM:5 DM:4 REMARKS patch DIPP DM:6 DM:5 REMARKS patch DIPP DM:7 DM:6 REMARKS patch DIPP DM:8 DM:7 REMARKS patch DIPP DM:9 DM:8 REMARKS patch PCOA DM:1 REMARKS patch PCOC DM:9 REMARKS patch DIPP DN:2 DN:1 REMARKS patch DIPP DN:3 DN:2 REMARKS patch DIPP DN:4 DN:3 REMARKS patch DIPP DN:5 DN:4 REMARKS patch DIPP DN:6 DN:5 REMARKS patch DIPP DN:7 DN:6 REMARKS patch DIPP DN:8 DN:7 REMARKS patch DIPP DN:9 DN:8 REMARKS patch PCOA DN:1 REMARKS patch PCOC DN:9 REMARKS patch DIPP DO:2 DO:1 REMARKS patch DIPP DO:3 DO:2 REMARKS patch DIPP DO:4 DO:3 REMARKS patch DIPP DO:5 DO:4 REMARKS patch DIPP DO:6 DO:5 REMARKS patch DIPP DO:7 DO:6 REMARKS patch DIPP DO:8 DO:7 REMARKS patch DIPP DO:9 DO:8 REMARKS patch PCOA DO:1 REMARKS patch PCOC DO:9 REMARKS patch DIPP DP:2 DP:1 REMARKS patch DIPP DP:3 DP:2 REMARKS patch DIPP DP:4 DP:3 REMARKS patch DIPP DP:5 DP:4 REMARKS patch DIPP DP:6 DP:5 REMARKS patch DIPP DP:7 DP:6 REMARKS patch DIPP DP:8 DP:7 REMARKS patch DIPP DP:9 DP:8 REMARKS patch PCOA DP:1 REMARKS patch PCOC DP:9 REMARKS patch DIPP DQ:2 DQ:1 REMARKS patch DIPP DQ:3 DQ:2 REMARKS patch DIPP DQ:4 DQ:3 REMARKS patch DIPP DQ:5 DQ:4 REMARKS patch DIPP DQ:6 DQ:5 REMARKS patch DIPP DQ:7 DQ:6 REMARKS patch DIPP DQ:8 DQ:7 REMARKS patch DIPP DQ:9 DQ:8 REMARKS patch PCOA DQ:1 REMARKS patch PCOC DQ:9 REMARKS patch DIPP DR:2 DR:1 REMARKS patch DIPP DR:3 DR:2 REMARKS patch DIPP DR:4 DR:3 REMARKS patch DIPP DR:5 DR:4 REMARKS patch DIPP DR:6 DR:5 REMARKS patch DIPP DR:7 DR:6 REMARKS patch DIPP DR:8 DR:7 REMARKS patch DIPP DR:9 DR:8 REMARKS patch PCOA DR:1 REMARKS patch PCOC DR:9 REMARKS patch DIPP DS:2 DS:1 REMARKS patch DIPP DS:3 DS:2 REMARKS patch DIPP DS:4 DS:3 REMARKS patch DIPP DS:5 DS:4 REMARKS patch DIPP DS:6 DS:5 REMARKS patch DIPP DS:7 DS:6 REMARKS patch DIPP DS:8 DS:7 REMARKS patch DIPP DS:9 DS:8 REMARKS patch PCOA DS:1 REMARKS patch PCOC DS:9 REMARKS patch DIPP DT:2 DT:1 REMARKS patch DIPP DT:3 DT:2 REMARKS patch DIPP DT:4 DT:3 REMARKS patch DIPP DT:5 DT:4 REMARKS patch DIPP DT:6 DT:5 REMARKS patch DIPP DT:7 DT:6 REMARKS patch DIPP DT:8 DT:7 REMARKS patch DIPP DT:9 DT:8 REMARKS patch PCOA DT:1 REMARKS patch PCOC DT:9 REMARKS patch DIPP DU:2 DU:1 REMARKS patch DIPP DU:3 DU:2 REMARKS patch DIPP DU:4 DU:3 REMARKS patch DIPP DU:5 DU:4 REMARKS patch DIPP DU:6 DU:5 REMARKS patch DIPP DU:7 DU:6 REMARKS patch DIPP DU:8 DU:7 REMARKS patch DIPP DU:9 DU:8 REMARKS patch PCOA DU:1 REMARKS patch PCOC DU:9 REMARKS patch DIPP DV:2 DV:1 REMARKS patch DIPP DV:3 DV:2 REMARKS patch DIPP DV:4 DV:3 REMARKS patch DIPP DV:5 DV:4 REMARKS patch DIPP DV:6 DV:5 REMARKS patch DIPP DV:7 DV:6 REMARKS patch DIPP DV:8 DV:7 REMARKS patch DIPP DV:9 DV:8 REMARKS patch PCOA DV:1 REMARKS patch PCOC DV:9 REMARKS patch DIPP DW:2 DW:1 REMARKS patch DIPP DW:3 DW:2 REMARKS patch DIPP DW:4 DW:3 REMARKS patch DIPP DW:5 DW:4 REMARKS patch DIPP DW:6 DW:5 REMARKS patch DIPP DW:7 DW:6 REMARKS patch DIPP DW:8 DW:7 REMARKS patch DIPP DW:9 DW:8 REMARKS patch PCOA DW:1 REMARKS patch PCOC DW:9 REMARKS patch DIPP DX:2 DX:1 REMARKS patch DIPP DX:3 DX:2 REMARKS patch DIPP DX:4 DX:3 REMARKS patch DIPP DX:5 DX:4 REMARKS patch DIPP DX:6 DX:5 REMARKS patch DIPP DX:7 DX:6 REMARKS patch DIPP DX:8 DX:7 REMARKS patch DIPP DX:9 DX:8 REMARKS patch PCOA DX:1 REMARKS patch PCOC DX:9 REMARKS patch DIPP DY:2 DY:1 REMARKS patch DIPP DY:3 DY:2 REMARKS patch DIPP DY:4 DY:3 REMARKS patch DIPP DY:5 DY:4 REMARKS patch DIPP DY:6 DY:5 REMARKS patch DIPP DY:7 DY:6 REMARKS patch DIPP DY:8 DY:7 REMARKS patch DIPP DY:9 DY:8 REMARKS patch PCOA DY:1 REMARKS patch PCOC DY:9 REMARKS patch DIPP DZ:2 DZ:1 REMARKS patch DIPP DZ:3 DZ:2 REMARKS patch DIPP DZ:4 DZ:3 REMARKS patch DIPP DZ:5 DZ:4 REMARKS patch DIPP DZ:6 DZ:5 REMARKS patch DIPP DZ:7 DZ:6 REMARKS patch DIPP DZ:8 DZ:7 REMARKS patch DIPP DZ:9 DZ:8 REMARKS patch PCOA DZ:1 REMARKS patch PCOC DZ:9 REMARKS patch DIPP EA:2 EA:1 REMARKS patch DIPP EA:3 EA:2 REMARKS patch DIPP EA:4 EA:3 REMARKS patch DIPP EA:5 EA:4 REMARKS patch DIPP EA:6 EA:5 REMARKS patch DIPP EA:7 EA:6 REMARKS patch DIPP EA:8 EA:7 REMARKS patch DIPP EA:9 EA:8 REMARKS patch PCOA EA:1 REMARKS patch PCOC EA:9 REMARKS patch DIPP EB:2 EB:1 REMARKS patch DIPP EB:3 EB:2 REMARKS patch DIPP EB:4 EB:3 REMARKS patch DIPP EB:5 EB:4 REMARKS patch DIPP EB:6 EB:5 REMARKS patch DIPP EB:7 EB:6 REMARKS patch DIPP EB:8 EB:7 REMARKS patch DIPP EB:9 EB:8 REMARKS patch PCOA EB:1 REMARKS patch PCOC EB:9 REMARKS patch DIPP EC:2 EC:1 REMARKS patch DIPP EC:3 EC:2 REMARKS patch DIPP EC:4 EC:3 REMARKS patch DIPP EC:5 EC:4 REMARKS patch DIPP EC:6 EC:5 REMARKS patch DIPP EC:7 EC:6 REMARKS patch DIPP EC:8 EC:7 REMARKS patch DIPP EC:9 EC:8 REMARKS patch PCOA EC:1 REMARKS patch PCOC EC:9 REMARKS patch DIPP ED:2 ED:1 REMARKS patch DIPP ED:3 ED:2 REMARKS patch DIPP ED:4 ED:3 REMARKS patch DIPP ED:5 ED:4 REMARKS patch DIPP ED:6 ED:5 REMARKS patch DIPP ED:7 ED:6 REMARKS patch DIPP ED:8 ED:7 REMARKS patch DIPP ED:9 ED:8 REMARKS patch PCOA ED:1 REMARKS patch PCOC ED:9 REMARKS patch DIPP EE:2 EE:1 REMARKS patch DIPP EE:3 EE:2 REMARKS patch DIPP EE:4 EE:3 REMARKS patch DIPP EE:5 EE:4 REMARKS patch DIPP EE:6 EE:5 REMARKS patch DIPP EE:7 EE:6 REMARKS patch DIPP EE:8 EE:7 REMARKS patch DIPP EE:9 EE:8 REMARKS patch PCOA EE:1 REMARKS patch PCOC EE:9 REMARKS patch DIPP EF:2 EF:1 REMARKS patch DIPP EF:3 EF:2 REMARKS patch DIPP EF:4 EF:3 REMARKS patch DIPP EF:5 EF:4 REMARKS patch DIPP EF:6 EF:5 REMARKS patch DIPP EF:7 EF:6 REMARKS patch DIPP EF:8 EF:7 REMARKS patch DIPP EF:9 EF:8 REMARKS patch PCOA EF:1 REMARKS patch PCOC EF:9 REMARKS patch DIPP EG:2 EG:1 REMARKS patch DIPP EG:3 EG:2 REMARKS patch DIPP EG:4 EG:3 REMARKS patch DIPP EG:5 EG:4 REMARKS patch DIPP EG:6 EG:5 REMARKS patch DIPP EG:7 EG:6 REMARKS patch DIPP EG:8 EG:7 REMARKS patch DIPP EG:9 EG:8 REMARKS patch PCOA EG:1 REMARKS patch PCOC EG:9 REMARKS patch DIPP EH:2 EH:1 REMARKS patch DIPP EH:3 EH:2 REMARKS patch DIPP EH:4 EH:3 REMARKS patch DIPP EH:5 EH:4 REMARKS patch DIPP EH:6 EH:5 REMARKS patch DIPP EH:7 EH:6 REMARKS patch DIPP EH:8 EH:7 REMARKS patch DIPP EH:9 EH:8 REMARKS patch PCOA EH:1 REMARKS patch PCOC EH:9 REMARKS patch DIPP EI:2 EI:1 REMARKS patch DIPP EI:3 EI:2 REMARKS patch DIPP EI:4 EI:3 REMARKS patch DIPP EI:5 EI:4 REMARKS patch DIPP EI:6 EI:5 REMARKS patch DIPP EI:7 EI:6 REMARKS patch DIPP EI:8 EI:7 REMARKS patch DIPP EI:9 EI:8 REMARKS patch PCOA EI:1 REMARKS patch PCOC EI:9 REMARKS patch DIPP EJ:2 EJ:1 REMARKS patch DIPP EJ:3 EJ:2 REMARKS patch DIPP EJ:4 EJ:3 REMARKS patch DIPP EJ:5 EJ:4 REMARKS patch DIPP EJ:6 EJ:5 REMARKS patch DIPP EJ:7 EJ:6 REMARKS patch DIPP EJ:8 EJ:7 REMARKS patch DIPP EJ:9 EJ:8 REMARKS patch PCOA EJ:1 REMARKS patch PCOC EJ:9 REMARKS patch DIPP EK:2 EK:1 REMARKS patch DIPP EK:3 EK:2 REMARKS patch DIPP EK:4 EK:3 REMARKS patch DIPP EK:5 EK:4 REMARKS patch DIPP EK:6 EK:5 REMARKS patch DIPP EK:7 EK:6 REMARKS patch DIPP EK:8 EK:7 REMARKS patch DIPP EK:9 EK:8 REMARKS patch PCOA EK:1 REMARKS patch PCOC EK:9 REMARKS patch DIPP EL:2 EL:1 REMARKS patch DIPP EL:3 EL:2 REMARKS patch DIPP EL:4 EL:3 REMARKS patch DIPP EL:5 EL:4 REMARKS patch DIPP EL:6 EL:5 REMARKS patch DIPP EL:7 EL:6 REMARKS patch DIPP EL:8 EL:7 REMARKS patch DIPP EL:9 EL:8 REMARKS patch PCOA EL:1 REMARKS patch PCOC EL:9 REMARKS patch DIPP EM:2 EM:1 REMARKS patch DIPP EM:3 EM:2 REMARKS patch DIPP EM:4 EM:3 REMARKS patch DIPP EM:5 EM:4 REMARKS patch DIPP EM:6 EM:5 REMARKS patch DIPP EM:7 EM:6 REMARKS patch DIPP EM:8 EM:7 REMARKS patch DIPP EM:9 EM:8 REMARKS patch PCOA EM:1 REMARKS patch PCOC EM:9 REMARKS patch DIPP EN:2 EN:1 REMARKS patch DIPP EN:3 EN:2 REMARKS patch DIPP EN:4 EN:3 REMARKS patch DIPP EN:5 EN:4 REMARKS patch DIPP EN:6 EN:5 REMARKS patch DIPP EN:7 EN:6 REMARKS patch DIPP EN:8 EN:7 REMARKS patch DIPP EN:9 EN:8 REMARKS patch PCOA EN:1 REMARKS patch PCOC EN:9 REMARKS patch DIPP EO:2 EO:1 REMARKS patch DIPP EO:3 EO:2 REMARKS patch DIPP EO:4 EO:3 REMARKS patch DIPP EO:5 EO:4 REMARKS patch DIPP EO:6 EO:5 REMARKS patch DIPP EO:7 EO:6 REMARKS patch DIPP EO:8 EO:7 REMARKS patch DIPP EO:9 EO:8 REMARKS patch PCOA EO:1 REMARKS patch PCOC EO:9 REMARKS patch DIPP EP:2 EP:1 REMARKS patch DIPP EP:3 EP:2 REMARKS patch DIPP EP:4 EP:3 REMARKS patch DIPP EP:5 EP:4 REMARKS patch DIPP EP:6 EP:5 REMARKS patch DIPP EP:7 EP:6 REMARKS patch DIPP EP:8 EP:7 REMARKS patch DIPP EP:9 EP:8 REMARKS patch PCOA EP:1 REMARKS patch PCOC EP:9 REMARKS patch DIPP EQ:2 EQ:1 REMARKS patch DIPP EQ:3 EQ:2 REMARKS patch DIPP EQ:4 EQ:3 REMARKS patch DIPP EQ:5 EQ:4 REMARKS patch DIPP EQ:6 EQ:5 REMARKS patch DIPP EQ:7 EQ:6 REMARKS patch DIPP EQ:8 EQ:7 REMARKS patch DIPP EQ:9 EQ:8 REMARKS patch PCOA EQ:1 REMARKS patch PCOC EQ:9 REMARKS patch DIPP ER:2 ER:1 REMARKS patch DIPP ER:3 ER:2 REMARKS patch DIPP ER:4 ER:3 REMARKS patch DIPP ER:5 ER:4 REMARKS patch DIPP ER:6 ER:5 REMARKS patch DIPP ER:7 ER:6 REMARKS patch DIPP ER:8 ER:7 REMARKS patch DIPP ER:9 ER:8 REMARKS patch PCOA ER:1 REMARKS patch PCOC ER:9 REMARKS patch DIPP ES:2 ES:1 REMARKS patch DIPP ES:3 ES:2 REMARKS patch DIPP ES:4 ES:3 REMARKS patch DIPP ES:5 ES:4 REMARKS patch DIPP ES:6 ES:5 REMARKS patch DIPP ES:7 ES:6 REMARKS patch DIPP ES:8 ES:7 REMARKS patch DIPP ES:9 ES:8 REMARKS patch PCOA ES:1 REMARKS patch PCOC ES:9 REMARKS patch DIPP ET:2 ET:1 REMARKS patch DIPP ET:3 ET:2 REMARKS patch DIPP ET:4 ET:3 REMARKS patch DIPP ET:5 ET:4 REMARKS patch DIPP ET:6 ET:5 REMARKS patch DIPP ET:7 ET:6 REMARKS patch DIPP ET:8 ET:7 REMARKS patch DIPP ET:9 ET:8 REMARKS patch PCOA ET:1 REMARKS patch PCOC ET:9 REMARKS patch DIPP EU:2 EU:1 REMARKS patch DIPP EU:3 EU:2 REMARKS patch DIPP EU:4 EU:3 REMARKS patch DIPP EU:5 EU:4 REMARKS patch DIPP EU:6 EU:5 REMARKS patch DIPP EU:7 EU:6 REMARKS patch DIPP EU:8 EU:7 REMARKS patch DIPP EU:9 EU:8 REMARKS patch PCOA EU:1 REMARKS patch PCOC EU:9 REMARKS patch DIPP EV:2 EV:1 REMARKS patch DIPP EV:3 EV:2 REMARKS patch DIPP EV:4 EV:3 REMARKS patch DIPP EV:5 EV:4 REMARKS patch DIPP EV:6 EV:5 REMARKS patch DIPP EV:7 EV:6 REMARKS patch DIPP EV:8 EV:7 REMARKS patch DIPP EV:9 EV:8 REMARKS patch PCOA EV:1 REMARKS patch PCOC EV:9 REMARKS patch DIPP EW:2 EW:1 REMARKS patch DIPP EW:3 EW:2 REMARKS patch DIPP EW:4 EW:3 REMARKS patch DIPP EW:5 EW:4 REMARKS patch DIPP EW:6 EW:5 REMARKS patch DIPP EW:7 EW:6 REMARKS patch DIPP EW:8 EW:7 REMARKS patch DIPP EW:9 EW:8 REMARKS patch PCOA EW:1 REMARKS patch PCOC EW:9 REMARKS patch DIPP EX:2 EX:1 REMARKS patch DIPP EX:3 EX:2 REMARKS patch DIPP EX:4 EX:3 REMARKS patch DIPP EX:5 EX:4 REMARKS patch DIPP EX:6 EX:5 REMARKS patch DIPP EX:7 EX:6 REMARKS patch DIPP EX:8 EX:7 REMARKS patch DIPP EX:9 EX:8 REMARKS patch PCOA EX:1 REMARKS patch PCOC EX:9 REMARKS patch DIPP EY:2 EY:1 REMARKS patch DIPP EY:3 EY:2 REMARKS patch DIPP EY:4 EY:3 REMARKS patch DIPP EY:5 EY:4 REMARKS patch DIPP EY:6 EY:5 REMARKS patch DIPP EY:7 EY:6 REMARKS patch DIPP EY:8 EY:7 REMARKS patch DIPP EY:9 EY:8 REMARKS patch PCOA EY:1 REMARKS patch PCOC EY:9 REMARKS patch DIPP EZ:2 EZ:1 REMARKS patch DIPP EZ:3 EZ:2 REMARKS patch DIPP EZ:4 EZ:3 REMARKS patch DIPP EZ:5 EZ:4 REMARKS patch DIPP EZ:6 EZ:5 REMARKS patch DIPP EZ:7 EZ:6 REMARKS patch DIPP EZ:8 EZ:7 REMARKS patch DIPP EZ:9 EZ:8 REMARKS patch PCOA EZ:1 REMARKS patch PCOC EZ:9 REMARKS patch DIPP FA:2 FA:1 REMARKS patch DIPP FA:3 FA:2 REMARKS patch DIPP FA:4 FA:3 REMARKS patch DIPP FA:5 FA:4 REMARKS patch DIPP FA:6 FA:5 REMARKS patch DIPP FA:7 FA:6 REMARKS patch DIPP FA:8 FA:7 REMARKS patch DIPP FA:9 FA:8 REMARKS patch PCOA FA:1 REMARKS patch PCOC FA:9 REMARKS patch DIPP FB:2 FB:1 REMARKS patch DIPP FB:3 FB:2 REMARKS patch DIPP FB:4 FB:3 REMARKS patch DIPP FB:5 FB:4 REMARKS patch DIPP FB:6 FB:5 REMARKS patch DIPP FB:7 FB:6 REMARKS patch DIPP FB:8 FB:7 REMARKS patch DIPP FB:9 FB:8 REMARKS patch PCOA FB:1 REMARKS patch PCOC FB:9 REMARKS patch DIPP FC:2 FC:1 REMARKS patch DIPP FC:3 FC:2 REMARKS patch DIPP FC:4 FC:3 REMARKS patch DIPP FC:5 FC:4 REMARKS patch DIPP FC:6 FC:5 REMARKS patch DIPP FC:7 FC:6 REMARKS patch DIPP FC:8 FC:7 REMARKS patch DIPP FC:9 FC:8 REMARKS patch PCOA FC:1 REMARKS patch PCOC FC:9 REMARKS patch DIPP FD:2 FD:1 REMARKS patch DIPP FD:3 FD:2 REMARKS patch DIPP FD:4 FD:3 REMARKS patch DIPP FD:5 FD:4 REMARKS patch DIPP FD:6 FD:5 REMARKS patch DIPP FD:7 FD:6 REMARKS patch DIPP FD:8 FD:7 REMARKS patch DIPP FD:9 FD:8 REMARKS patch PCOA FD:1 REMARKS patch PCOC FD:9 REMARKS patch DIPP FE:2 FE:1 REMARKS patch DIPP FE:3 FE:2 REMARKS patch DIPP FE:4 FE:3 REMARKS patch DIPP FE:5 FE:4 REMARKS patch DIPP FE:6 FE:5 REMARKS patch DIPP FE:7 FE:6 REMARKS patch DIPP FE:8 FE:7 REMARKS patch DIPP FE:9 FE:8 REMARKS patch PCOA FE:1 REMARKS patch PCOC FE:9 REMARKS patch DIPP FF:2 FF:1 REMARKS patch DIPP FF:3 FF:2 REMARKS patch DIPP FF:4 FF:3 REMARKS patch DIPP FF:5 FF:4 REMARKS patch DIPP FF:6 FF:5 REMARKS patch DIPP FF:7 FF:6 REMARKS patch DIPP FF:8 FF:7 REMARKS patch DIPP FF:9 FF:8 REMARKS patch PCOA FF:1 REMARKS patch PCOC FF:9 REMARKS patch DIPP FG:2 FG:1 REMARKS patch DIPP FG:3 FG:2 REMARKS patch DIPP FG:4 FG:3 REMARKS patch DIPP FG:5 FG:4 REMARKS patch DIPP FG:6 FG:5 REMARKS patch DIPP FG:7 FG:6 REMARKS patch DIPP FG:8 FG:7 REMARKS patch DIPP FG:9 FG:8 REMARKS patch PCOA FG:1 REMARKS patch PCOC FG:9 REMARKS patch DIPP FH:2 FH:1 REMARKS patch DIPP FH:3 FH:2 REMARKS patch DIPP FH:4 FH:3 REMARKS patch DIPP FH:5 FH:4 REMARKS patch DIPP FH:6 FH:5 REMARKS patch DIPP FH:7 FH:6 REMARKS patch DIPP FH:8 FH:7 REMARKS patch DIPP FH:9 FH:8 REMARKS patch PCOA FH:1 REMARKS patch PCOC FH:9 REMARKS patch DIPP FI:2 FI:1 REMARKS patch DIPP FI:3 FI:2 REMARKS patch DIPP FI:4 FI:3 REMARKS patch DIPP FI:5 FI:4 REMARKS patch DIPP FI:6 FI:5 REMARKS patch DIPP FI:7 FI:6 REMARKS patch DIPP FI:8 FI:7 REMARKS patch DIPP FI:9 FI:8 REMARKS patch PCOA FI:1 REMARKS patch PCOC FI:9 REMARKS patch DIPP FJ:2 FJ:1 REMARKS patch DIPP FJ:3 FJ:2 REMARKS patch DIPP FJ:4 FJ:3 REMARKS patch DIPP FJ:5 FJ:4 REMARKS patch DIPP FJ:6 FJ:5 REMARKS patch DIPP FJ:7 FJ:6 REMARKS patch DIPP FJ:8 FJ:7 REMARKS patch DIPP FJ:9 FJ:8 REMARKS patch PCOA FJ:1 REMARKS patch PCOC FJ:9 REMARKS patch DIPP FK:2 FK:1 REMARKS patch DIPP FK:3 FK:2 REMARKS patch DIPP FK:4 FK:3 REMARKS patch DIPP FK:5 FK:4 REMARKS patch DIPP FK:6 FK:5 REMARKS patch DIPP FK:7 FK:6 REMARKS patch DIPP FK:8 FK:7 REMARKS patch DIPP FK:9 FK:8 REMARKS patch PCOA FK:1 REMARKS patch PCOC FK:9 REMARKS patch DIPP FL:2 FL:1 REMARKS patch DIPP FL:3 FL:2 REMARKS patch DIPP FL:4 FL:3 REMARKS patch DIPP FL:5 FL:4 REMARKS patch DIPP FL:6 FL:5 REMARKS patch DIPP FL:7 FL:6 REMARKS patch DIPP FL:8 FL:7 REMARKS patch DIPP FL:9 FL:8 REMARKS patch PCOA FL:1 REMARKS patch PCOC FL:9 REMARKS patch DIPP FM:2 FM:1 REMARKS patch DIPP FM:3 FM:2 REMARKS patch DIPP FM:4 FM:3 REMARKS patch DIPP FM:5 FM:4 REMARKS patch DIPP FM:6 FM:5 REMARKS patch DIPP FM:7 FM:6 REMARKS patch DIPP FM:8 FM:7 REMARKS patch DIPP FM:9 FM:8 REMARKS patch PCOA FM:1 REMARKS patch PCOC FM:9 REMARKS patch DIPP FN:2 FN:1 REMARKS patch DIPP FN:3 FN:2 REMARKS patch DIPP FN:4 FN:3 REMARKS patch DIPP FN:5 FN:4 REMARKS patch DIPP FN:6 FN:5 REMARKS patch DIPP FN:7 FN:6 REMARKS patch DIPP FN:8 FN:7 REMARKS patch DIPP FN:9 FN:8 REMARKS patch PCOA FN:1 REMARKS patch PCOC FN:9 REMARKS patch DIPP FO:2 FO:1 REMARKS patch DIPP FO:3 FO:2 REMARKS patch DIPP FO:4 FO:3 REMARKS patch DIPP FO:5 FO:4 REMARKS patch DIPP FO:6 FO:5 REMARKS patch DIPP FO:7 FO:6 REMARKS patch DIPP FO:8 FO:7 REMARKS patch DIPP FO:9 FO:8 REMARKS patch PCOA FO:1 REMARKS patch PCOC FO:9 REMARKS patch DIPP FP:2 FP:1 REMARKS patch DIPP FP:3 FP:2 REMARKS patch DIPP FP:4 FP:3 REMARKS patch DIPP FP:5 FP:4 REMARKS patch DIPP FP:6 FP:5 REMARKS patch DIPP FP:7 FP:6 REMARKS patch DIPP FP:8 FP:7 REMARKS patch DIPP FP:9 FP:8 REMARKS patch PCOA FP:1 REMARKS patch PCOC FP:9 REMARKS patch DIPP FQ:2 FQ:1 REMARKS patch DIPP FQ:3 FQ:2 REMARKS patch DIPP FQ:4 FQ:3 REMARKS patch DIPP FQ:5 FQ:4 REMARKS patch DIPP FQ:6 FQ:5 REMARKS patch DIPP FQ:7 FQ:6 REMARKS patch DIPP FQ:8 FQ:7 REMARKS patch DIPP FQ:9 FQ:8 REMARKS patch PCOA FQ:1 REMARKS patch PCOC FQ:9 REMARKS patch DIPP FR:2 FR:1 REMARKS patch DIPP FR:3 FR:2 REMARKS patch DIPP FR:4 FR:3 REMARKS patch DIPP FR:5 FR:4 REMARKS patch DIPP FR:6 FR:5 REMARKS patch DIPP FR:7 FR:6 REMARKS patch DIPP FR:8 FR:7 REMARKS patch DIPP FR:9 FR:8 REMARKS patch PCOA FR:1 REMARKS patch PCOC FR:9 REMARKS patch DIPP FS:2 FS:1 REMARKS patch DIPP FS:3 FS:2 REMARKS patch DIPP FS:4 FS:3 REMARKS patch DIPP FS:5 FS:4 REMARKS patch DIPP FS:6 FS:5 REMARKS patch DIPP FS:7 FS:6 REMARKS patch DIPP FS:8 FS:7 REMARKS patch DIPP FS:9 FS:8 REMARKS patch PCOA FS:1 REMARKS patch PCOC FS:9 REMARKS patch DIPP FT:2 FT:1 REMARKS patch DIPP FT:3 FT:2 REMARKS patch DIPP FT:4 FT:3 REMARKS patch DIPP FT:5 FT:4 REMARKS patch DIPP FT:6 FT:5 REMARKS patch DIPP FT:7 FT:6 REMARKS patch DIPP FT:8 FT:7 REMARKS patch DIPP FT:9 FT:8 REMARKS patch PCOA FT:1 REMARKS patch PCOC FT:9 REMARKS patch DIPP FU:2 FU:1 REMARKS patch DIPP FU:3 FU:2 REMARKS patch DIPP FU:4 FU:3 REMARKS patch DIPP FU:5 FU:4 REMARKS patch DIPP FU:6 FU:5 REMARKS patch DIPP FU:7 FU:6 REMARKS patch DIPP FU:8 FU:7 REMARKS patch DIPP FU:9 FU:8 REMARKS patch PCOA FU:1 REMARKS patch PCOC FU:9 REMARKS patch DIPP FV:2 FV:1 REMARKS patch DIPP FV:3 FV:2 REMARKS patch DIPP FV:4 FV:3 REMARKS patch DIPP FV:5 FV:4 REMARKS patch DIPP FV:6 FV:5 REMARKS patch DIPP FV:7 FV:6 REMARKS patch DIPP FV:8 FV:7 REMARKS patch DIPP FV:9 FV:8 REMARKS patch PCOA FV:1 REMARKS patch PCOC FV:9 REMARKS patch DIPP FW:2 FW:1 REMARKS patch DIPP FW:3 FW:2 REMARKS patch DIPP FW:4 FW:3 REMARKS patch DIPP FW:5 FW:4 REMARKS patch DIPP FW:6 FW:5 REMARKS patch DIPP FW:7 FW:6 REMARKS patch DIPP FW:8 FW:7 REMARKS patch DIPP FW:9 FW:8 REMARKS patch PCOA FW:1 REMARKS patch PCOC FW:9 REMARKS patch DIPP FX:2 FX:1 REMARKS patch DIPP FX:3 FX:2 REMARKS patch DIPP FX:4 FX:3 REMARKS patch DIPP FX:5 FX:4 REMARKS patch DIPP FX:6 FX:5 REMARKS patch DIPP FX:7 FX:6 REMARKS patch DIPP FX:8 FX:7 REMARKS patch DIPP FX:9 FX:8 REMARKS patch PCOA FX:1 REMARKS patch PCOC FX:9 REMARKS patch DIPP FY:2 FY:1 REMARKS patch DIPP FY:3 FY:2 REMARKS patch DIPP FY:4 FY:3 REMARKS patch DIPP FY:5 FY:4 REMARKS patch DIPP FY:6 FY:5 REMARKS patch DIPP FY:7 FY:6 REMARKS patch DIPP FY:8 FY:7 REMARKS patch DIPP FY:9 FY:8 REMARKS patch PCOA FY:1 REMARKS patch PCOC FY:9 REMARKS patch DIPP FZ:2 FZ:1 REMARKS patch DIPP FZ:3 FZ:2 REMARKS patch DIPP FZ:4 FZ:3 REMARKS patch DIPP FZ:5 FZ:4 REMARKS patch DIPP FZ:6 FZ:5 REMARKS patch DIPP FZ:7 FZ:6 REMARKS patch DIPP FZ:8 FZ:7 REMARKS patch DIPP FZ:9 FZ:8 REMARKS patch PCOA FZ:1 REMARKS patch PCOC FZ:9 REMARKS patch DIPP GA:2 GA:1 REMARKS patch DIPP GA:3 GA:2 REMARKS patch DIPP GA:4 GA:3 REMARKS patch DIPP GA:5 GA:4 REMARKS patch DIPP GA:6 GA:5 REMARKS patch DIPP GA:7 GA:6 REMARKS patch DIPP GA:8 GA:7 REMARKS patch DIPP GA:9 GA:8 REMARKS patch PCOA GA:1 REMARKS patch PCOC GA:9 REMARKS patch DIPP GB:2 GB:1 REMARKS patch DIPP GB:3 GB:2 REMARKS patch DIPP GB:4 GB:3 REMARKS patch DIPP GB:5 GB:4 REMARKS patch DIPP GB:6 GB:5 REMARKS patch DIPP GB:7 GB:6 REMARKS patch DIPP GB:8 GB:7 REMARKS patch DIPP GB:9 GB:8 REMARKS patch PCOA GB:1 REMARKS patch PCOC GB:9 REMARKS patch DIPP GC:2 GC:1 REMARKS patch DIPP GC:3 GC:2 REMARKS patch DIPP GC:4 GC:3 REMARKS patch DIPP GC:5 GC:4 REMARKS patch DIPP GC:6 GC:5 REMARKS patch DIPP GC:7 GC:6 REMARKS patch DIPP GC:8 GC:7 REMARKS patch DIPP GC:9 GC:8 REMARKS patch PCOA GC:1 REMARKS patch PCOC GC:9 REMARKS patch DIPP GD:2 GD:1 REMARKS patch DIPP GD:3 GD:2 REMARKS patch DIPP GD:4 GD:3 REMARKS patch DIPP GD:5 GD:4 REMARKS patch DIPP GD:6 GD:5 REMARKS patch DIPP GD:7 GD:6 REMARKS patch DIPP GD:8 GD:7 REMARKS patch DIPP GD:9 GD:8 REMARKS patch PCOA GD:1 REMARKS patch PCOC GD:9 REMARKS patch DIPP GE:2 GE:1 REMARKS patch DIPP GE:3 GE:2 REMARKS patch DIPP GE:4 GE:3 REMARKS patch DIPP GE:5 GE:4 REMARKS patch DIPP GE:6 GE:5 REMARKS patch DIPP GE:7 GE:6 REMARKS patch DIPP GE:8 GE:7 REMARKS patch DIPP GE:9 GE:8 REMARKS patch PCOA GE:1 REMARKS patch PCOC GE:9 REMARKS patch DIPP GF:2 GF:1 REMARKS patch DIPP GF:3 GF:2 REMARKS patch DIPP GF:4 GF:3 REMARKS patch DIPP GF:5 GF:4 REMARKS patch DIPP GF:6 GF:5 REMARKS patch DIPP GF:7 GF:6 REMARKS patch DIPP GF:8 GF:7 REMARKS patch DIPP GF:9 GF:8 REMARKS patch PCOA GF:1 REMARKS patch PCOC GF:9 REMARKS patch DIPP GG:2 GG:1 REMARKS patch DIPP GG:3 GG:2 REMARKS patch DIPP GG:4 GG:3 REMARKS patch DIPP GG:5 GG:4 REMARKS patch DIPP GG:6 GG:5 REMARKS patch DIPP GG:7 GG:6 REMARKS patch DIPP GG:8 GG:7 REMARKS patch DIPP GG:9 GG:8 REMARKS patch PCOA GG:1 REMARKS patch PCOC GG:9 REMARKS patch DIPP GH:2 GH:1 REMARKS patch DIPP GH:3 GH:2 REMARKS patch DIPP GH:4 GH:3 REMARKS patch DIPP GH:5 GH:4 REMARKS patch DIPP GH:6 GH:5 REMARKS patch DIPP GH:7 GH:6 REMARKS patch DIPP GH:8 GH:7 REMARKS patch DIPP GH:9 GH:8 REMARKS patch PCOA GH:1 REMARKS patch PCOC GH:9 REMARKS patch DIPP GI:2 GI:1 REMARKS patch DIPP GI:3 GI:2 REMARKS patch DIPP GI:4 GI:3 REMARKS patch DIPP GI:5 GI:4 REMARKS patch DIPP GI:6 GI:5 REMARKS patch DIPP GI:7 GI:6 REMARKS patch DIPP GI:8 GI:7 REMARKS patch DIPP GI:9 GI:8 REMARKS patch PCOA GI:1 REMARKS patch PCOC GI:9 REMARKS patch DIPP GJ:2 GJ:1 REMARKS patch DIPP GJ:3 GJ:2 REMARKS patch DIPP GJ:4 GJ:3 REMARKS patch DIPP GJ:5 GJ:4 REMARKS patch DIPP GJ:6 GJ:5 REMARKS patch DIPP GJ:7 GJ:6 REMARKS patch DIPP GJ:8 GJ:7 REMARKS patch DIPP GJ:9 GJ:8 REMARKS patch PCOA GJ:1 REMARKS patch PCOC GJ:9 REMARKS patch DIPP GK:2 GK:1 REMARKS patch DIPP GK:3 GK:2 REMARKS patch DIPP GK:4 GK:3 REMARKS patch DIPP GK:5 GK:4 REMARKS patch DIPP GK:6 GK:5 REMARKS patch DIPP GK:7 GK:6 REMARKS patch DIPP GK:8 GK:7 REMARKS patch DIPP GK:9 GK:8 REMARKS patch PCOA GK:1 REMARKS patch PCOC GK:9 REMARKS patch DIPP GL:2 GL:1 REMARKS patch DIPP GL:3 GL:2 REMARKS patch DIPP GL:4 GL:3 REMARKS patch DIPP GL:5 GL:4 REMARKS patch DIPP GL:6 GL:5 REMARKS patch DIPP GL:7 GL:6 REMARKS patch DIPP GL:8 GL:7 REMARKS patch DIPP GL:9 GL:8 REMARKS patch PCOA GL:1 REMARKS patch PCOC GL:9 REMARKS patch DIPP GM:2 GM:1 REMARKS patch DIPP GM:3 GM:2 REMARKS patch DIPP GM:4 GM:3 REMARKS patch DIPP GM:5 GM:4 REMARKS patch DIPP GM:6 GM:5 REMARKS patch DIPP GM:7 GM:6 REMARKS patch DIPP GM:8 GM:7 REMARKS patch DIPP GM:9 GM:8 REMARKS patch PCOA GM:1 REMARKS patch PCOC GM:9 REMARKS patch DIPP GN:2 GN:1 REMARKS patch DIPP GN:3 GN:2 REMARKS patch DIPP GN:4 GN:3 REMARKS patch DIPP GN:5 GN:4 REMARKS patch DIPP GN:6 GN:5 REMARKS patch DIPP GN:7 GN:6 REMARKS patch DIPP GN:8 GN:7 REMARKS patch DIPP GN:9 GN:8 REMARKS patch PCOA GN:1 REMARKS patch PCOC GN:9 REMARKS patch DIPP GO:2 GO:1 REMARKS patch DIPP GO:3 GO:2 REMARKS patch DIPP GO:4 GO:3 REMARKS patch DIPP GO:5 GO:4 REMARKS patch DIPP GO:6 GO:5 REMARKS patch DIPP GO:7 GO:6 REMARKS patch DIPP GO:8 GO:7 REMARKS patch DIPP GO:9 GO:8 REMARKS patch PCOA GO:1 REMARKS patch PCOC GO:9 REMARKS patch DIPP GP:2 GP:1 REMARKS patch DIPP GP:3 GP:2 REMARKS patch DIPP GP:4 GP:3 REMARKS patch DIPP GP:5 GP:4 REMARKS patch DIPP GP:6 GP:5 REMARKS patch DIPP GP:7 GP:6 REMARKS patch DIPP GP:8 GP:7 REMARKS patch DIPP GP:9 GP:8 REMARKS patch PCOA GP:1 REMARKS patch PCOC GP:9 REMARKS patch DIPP GQ:2 GQ:1 REMARKS patch DIPP GQ:3 GQ:2 REMARKS patch DIPP GQ:4 GQ:3 REMARKS patch DIPP GQ:5 GQ:4 REMARKS patch DIPP GQ:6 GQ:5 REMARKS patch DIPP GQ:7 GQ:6 REMARKS patch DIPP GQ:8 GQ:7 REMARKS patch DIPP GQ:9 GQ:8 REMARKS patch PCOA GQ:1 REMARKS patch PCOC GQ:9 REMARKS patch DIPP GR:2 GR:1 REMARKS patch DIPP GR:3 GR:2 REMARKS patch DIPP GR:4 GR:3 REMARKS patch DIPP GR:5 GR:4 REMARKS patch DIPP GR:6 GR:5 REMARKS patch DIPP GR:7 GR:6 REMARKS patch DIPP GR:8 GR:7 REMARKS patch DIPP GR:9 GR:8 REMARKS patch PCOA GR:1 REMARKS patch PCOC GR:9 REMARKS patch DIPP GS:2 GS:1 REMARKS patch DIPP GS:3 GS:2 REMARKS patch DIPP GS:4 GS:3 REMARKS patch DIPP GS:5 GS:4 REMARKS patch DIPP GS:6 GS:5 REMARKS patch DIPP GS:7 GS:6 REMARKS patch DIPP GS:8 GS:7 REMARKS patch DIPP GS:9 GS:8 REMARKS patch PCOA GS:1 REMARKS patch PCOC GS:9 REMARKS patch DIPP GT:2 GT:1 REMARKS patch DIPP GT:3 GT:2 REMARKS patch DIPP GT:4 GT:3 REMARKS patch DIPP GT:5 GT:4 REMARKS patch DIPP GT:6 GT:5 REMARKS patch DIPP GT:7 GT:6 REMARKS patch DIPP GT:8 GT:7 REMARKS patch DIPP GT:9 GT:8 REMARKS patch PCOA GT:1 REMARKS patch PCOC GT:9 REMARKS patch DIPP GU:2 GU:1 REMARKS patch DIPP GU:3 GU:2 REMARKS patch DIPP GU:4 GU:3 REMARKS patch DIPP GU:5 GU:4 REMARKS patch DIPP GU:6 GU:5 REMARKS patch DIPP GU:7 GU:6 REMARKS patch DIPP GU:8 GU:7 REMARKS patch DIPP GU:9 GU:8 REMARKS patch PCOA GU:1 REMARKS patch PCOC GU:9 REMARKS patch DIPP GV:2 GV:1 REMARKS patch DIPP GV:3 GV:2 REMARKS patch DIPP GV:4 GV:3 REMARKS patch DIPP GV:5 GV:4 REMARKS patch DIPP GV:6 GV:5 REMARKS patch DIPP GV:7 GV:6 REMARKS patch DIPP GV:8 GV:7 REMARKS patch DIPP GV:9 GV:8 REMARKS patch PCOA GV:1 REMARKS patch PCOC GV:9 REMARKS patch DIPP GW:2 GW:1 REMARKS patch DIPP GW:3 GW:2 REMARKS patch DIPP GW:4 GW:3 REMARKS patch DIPP GW:5 GW:4 REMARKS patch DIPP GW:6 GW:5 REMARKS patch DIPP GW:7 GW:6 REMARKS patch DIPP GW:8 GW:7 REMARKS patch DIPP GW:9 GW:8 REMARKS patch PCOA GW:1 REMARKS patch PCOC GW:9 REMARKS patch DIPP GX:2 GX:1 REMARKS patch DIPP GX:3 GX:2 REMARKS patch DIPP GX:4 GX:3 REMARKS patch DIPP GX:5 GX:4 REMARKS patch DIPP GX:6 GX:5 REMARKS patch DIPP GX:7 GX:6 REMARKS patch DIPP GX:8 GX:7 REMARKS patch DIPP GX:9 GX:8 REMARKS patch PCOA GX:1 REMARKS patch PCOC GX:9 REMARKS patch DIPP GY:2 GY:1 REMARKS patch DIPP GY:3 GY:2 REMARKS patch DIPP GY:4 GY:3 REMARKS patch DIPP GY:5 GY:4 REMARKS patch DIPP GY:6 GY:5 REMARKS patch DIPP GY:7 GY:6 REMARKS patch DIPP GY:8 GY:7 REMARKS patch DIPP GY:9 GY:8 REMARKS patch PCOA GY:1 REMARKS patch PCOC GY:9 REMARKS patch DIPP GZ:2 GZ:1 REMARKS patch DIPP GZ:3 GZ:2 REMARKS patch DIPP GZ:4 GZ:3 REMARKS patch DIPP GZ:5 GZ:4 REMARKS patch DIPP GZ:6 GZ:5 REMARKS patch DIPP GZ:7 GZ:6 REMARKS patch DIPP GZ:8 GZ:7 REMARKS patch DIPP GZ:9 GZ:8 REMARKS patch PCOA GZ:1 REMARKS patch PCOC GZ:9 REMARKS patch DIPP HA:2 HA:1 REMARKS patch DIPP HA:3 HA:2 REMARKS patch DIPP HA:4 HA:3 REMARKS patch DIPP HA:5 HA:4 REMARKS patch DIPP HA:6 HA:5 REMARKS patch DIPP HA:7 HA:6 REMARKS patch DIPP HA:8 HA:7 REMARKS patch DIPP HA:9 HA:8 REMARKS patch PCOA HA:1 REMARKS patch PCOC HA:9 REMARKS patch DIPP HB:2 HB:1 REMARKS patch DIPP HB:3 HB:2 REMARKS patch DIPP HB:4 HB:3 REMARKS patch DIPP HB:5 HB:4 REMARKS patch DIPP HB:6 HB:5 REMARKS patch DIPP HB:7 HB:6 REMARKS patch DIPP HB:8 HB:7 REMARKS patch DIPP HB:9 HB:8 REMARKS patch PCOA HB:1 REMARKS patch PCOC HB:9 REMARKS patch DIPP HC:2 HC:1 REMARKS patch DIPP HC:3 HC:2 REMARKS patch DIPP HC:4 HC:3 REMARKS patch DIPP HC:5 HC:4 REMARKS patch DIPP HC:6 HC:5 REMARKS patch DIPP HC:7 HC:6 REMARKS patch DIPP HC:8 HC:7 REMARKS patch DIPP HC:9 HC:8 REMARKS patch PCOA HC:1 REMARKS patch PCOC HC:9 REMARKS patch DIPP HD:2 HD:1 REMARKS patch DIPP HD:3 HD:2 REMARKS patch DIPP HD:4 HD:3 REMARKS patch DIPP HD:5 HD:4 REMARKS patch DIPP HD:6 HD:5 REMARKS patch DIPP HD:7 HD:6 REMARKS patch DIPP HD:8 HD:7 REMARKS patch DIPP HD:9 HD:8 REMARKS patch PCOA HD:1 REMARKS patch PCOC HD:9 REMARKS patch DIPP HE:2 HE:1 REMARKS patch DIPP HE:3 HE:2 REMARKS patch DIPP HE:4 HE:3 REMARKS patch DIPP HE:5 HE:4 REMARKS patch DIPP HE:6 HE:5 REMARKS patch DIPP HE:7 HE:6 REMARKS patch DIPP HE:8 HE:7 REMARKS patch DIPP HE:9 HE:8 REMARKS patch PCOA HE:1 REMARKS patch PCOC HE:9 REMARKS patch DIPP HF:2 HF:1 REMARKS patch DIPP HF:3 HF:2 REMARKS patch DIPP HF:4 HF:3 REMARKS patch DIPP HF:5 HF:4 REMARKS patch DIPP HF:6 HF:5 REMARKS patch DIPP HF:7 HF:6 REMARKS patch DIPP HF:8 HF:7 REMARKS patch DIPP HF:9 HF:8 REMARKS patch PCOA HF:1 REMARKS patch PCOC HF:9 REMARKS patch DIPP HG:2 HG:1 REMARKS patch DIPP HG:3 HG:2 REMARKS patch DIPP HG:4 HG:3 REMARKS patch DIPP HG:5 HG:4 REMARKS patch DIPP HG:6 HG:5 REMARKS patch DIPP HG:7 HG:6 REMARKS patch DIPP HG:8 HG:7 REMARKS patch DIPP HG:9 HG:8 REMARKS patch PCOA HG:1 REMARKS patch PCOC HG:9 REMARKS patch DIPP HH:2 HH:1 REMARKS patch DIPP HH:3 HH:2 REMARKS patch DIPP HH:4 HH:3 REMARKS patch DIPP HH:5 HH:4 REMARKS patch DIPP HH:6 HH:5 REMARKS patch DIPP HH:7 HH:6 REMARKS patch DIPP HH:8 HH:7 REMARKS patch DIPP HH:9 HH:8 REMARKS patch PCOA HH:1 REMARKS patch PCOC HH:9 REMARKS patch DIPP HI:2 HI:1 REMARKS patch DIPP HI:3 HI:2 REMARKS patch DIPP HI:4 HI:3 REMARKS patch DIPP HI:5 HI:4 REMARKS patch DIPP HI:6 HI:5 REMARKS patch DIPP HI:7 HI:6 REMARKS patch DIPP HI:8 HI:7 REMARKS patch DIPP HI:9 HI:8 REMARKS patch PCOA HI:1 REMARKS patch PCOC HI:9 REMARKS patch DIPP HJ:2 HJ:1 REMARKS patch DIPP HJ:3 HJ:2 REMARKS patch DIPP HJ:4 HJ:3 REMARKS patch DIPP HJ:5 HJ:4 REMARKS patch DIPP HJ:6 HJ:5 REMARKS patch DIPP HJ:7 HJ:6 REMARKS patch DIPP HJ:8 HJ:7 REMARKS patch DIPP HJ:9 HJ:8 REMARKS patch PCOA HJ:1 REMARKS patch PCOC HJ:9 REMARKS patch DIPP HK:2 HK:1 REMARKS patch DIPP HK:3 HK:2 REMARKS patch DIPP HK:4 HK:3 REMARKS patch DIPP HK:5 HK:4 REMARKS patch DIPP HK:6 HK:5 REMARKS patch DIPP HK:7 HK:6 REMARKS patch DIPP HK:8 HK:7 REMARKS patch DIPP HK:9 HK:8 REMARKS patch PCOA HK:1 REMARKS patch PCOC HK:9 REMARKS patch DIPP HL:2 HL:1 REMARKS patch DIPP HL:3 HL:2 REMARKS patch DIPP HL:4 HL:3 REMARKS patch DIPP HL:5 HL:4 REMARKS patch DIPP HL:6 HL:5 REMARKS patch DIPP HL:7 HL:6 REMARKS patch DIPP HL:8 HL:7 REMARKS patch DIPP HL:9 HL:8 REMARKS patch PCOA HL:1 REMARKS patch PCOC HL:9 REMARKS patch DIPP HM:2 HM:1 REMARKS patch DIPP HM:3 HM:2 REMARKS patch DIPP HM:4 HM:3 REMARKS patch DIPP HM:5 HM:4 REMARKS patch DIPP HM:6 HM:5 REMARKS patch DIPP HM:7 HM:6 REMARKS patch DIPP HM:8 HM:7 REMARKS patch DIPP HM:9 HM:8 REMARKS patch PCOA HM:1 REMARKS patch PCOC HM:9 REMARKS patch DIPP HN:2 HN:1 REMARKS patch DIPP HN:3 HN:2 REMARKS patch DIPP HN:4 HN:3 REMARKS patch DIPP HN:5 HN:4 REMARKS patch DIPP HN:6 HN:5 REMARKS patch DIPP HN:7 HN:6 REMARKS patch DIPP HN:8 HN:7 REMARKS patch DIPP HN:9 HN:8 REMARKS patch PCOA HN:1 REMARKS patch PCOC HN:9 REMARKS patch DIPP HO:2 HO:1 REMARKS patch DIPP HO:3 HO:2 REMARKS patch DIPP HO:4 HO:3 REMARKS patch DIPP HO:5 HO:4 REMARKS patch DIPP HO:6 HO:5 REMARKS patch DIPP HO:7 HO:6 REMARKS patch DIPP HO:8 HO:7 REMARKS patch DIPP HO:9 HO:8 REMARKS patch PCOA HO:1 REMARKS patch PCOC HO:9 REMARKS patch DIPP HP:2 HP:1 REMARKS patch DIPP HP:3 HP:2 REMARKS patch DIPP HP:4 HP:3 REMARKS patch DIPP HP:5 HP:4 REMARKS patch DIPP HP:6 HP:5 REMARKS patch DIPP HP:7 HP:6 REMARKS patch DIPP HP:8 HP:7 REMARKS patch DIPP HP:9 HP:8 REMARKS patch PCOA HP:1 REMARKS patch PCOC HP:9 REMARKS patch DIPP HQ:2 HQ:1 REMARKS patch DIPP HQ:3 HQ:2 REMARKS patch DIPP HQ:4 HQ:3 REMARKS patch DIPP HQ:5 HQ:4 REMARKS patch DIPP HQ:6 HQ:5 REMARKS patch DIPP HQ:7 HQ:6 REMARKS patch DIPP HQ:8 HQ:7 REMARKS patch DIPP HQ:9 HQ:8 REMARKS patch PCOA HQ:1 REMARKS patch PCOC HQ:9 REMARKS patch DIPP HR:2 HR:1 REMARKS patch DIPP HR:3 HR:2 REMARKS patch DIPP HR:4 HR:3 REMARKS patch DIPP HR:5 HR:4 REMARKS patch DIPP HR:6 HR:5 REMARKS patch DIPP HR:7 HR:6 REMARKS patch DIPP HR:8 HR:7 REMARKS patch DIPP HR:9 HR:8 REMARKS patch PCOA HR:1 REMARKS patch PCOC HR:9 REMARKS patch DIPP HS:2 HS:1 REMARKS patch DIPP HS:3 HS:2 REMARKS patch DIPP HS:4 HS:3 REMARKS patch DIPP HS:5 HS:4 REMARKS patch DIPP HS:6 HS:5 REMARKS patch DIPP HS:7 HS:6 REMARKS patch DIPP HS:8 HS:7 REMARKS patch DIPP HS:9 HS:8 REMARKS patch PCOA HS:1 REMARKS patch PCOC HS:9 REMARKS patch DIPP HT:2 HT:1 REMARKS patch DIPP HT:3 HT:2 REMARKS patch DIPP HT:4 HT:3 REMARKS patch DIPP HT:5 HT:4 REMARKS patch DIPP HT:6 HT:5 REMARKS patch DIPP HT:7 HT:6 REMARKS patch DIPP HT:8 HT:7 REMARKS patch DIPP HT:9 HT:8 REMARKS patch PCOA HT:1 REMARKS patch PCOC HT:9 REMARKS patch DIPP HU:2 HU:1 REMARKS patch DIPP HU:3 HU:2 REMARKS patch DIPP HU:4 HU:3 REMARKS patch DIPP HU:5 HU:4 REMARKS patch DIPP HU:6 HU:5 REMARKS patch DIPP HU:7 HU:6 REMARKS patch DIPP HU:8 HU:7 REMARKS patch DIPP HU:9 HU:8 REMARKS patch PCOA HU:1 REMARKS patch PCOC HU:9 REMARKS patch DIPP HV:2 HV:1 REMARKS patch DIPP HV:3 HV:2 REMARKS patch DIPP HV:4 HV:3 REMARKS patch DIPP HV:5 HV:4 REMARKS patch DIPP HV:6 HV:5 REMARKS patch DIPP HV:7 HV:6 REMARKS patch DIPP HV:8 HV:7 REMARKS patch DIPP HV:9 HV:8 REMARKS patch PCOA HV:1 REMARKS patch PCOC HV:9 REMARKS patch DIPP HW:2 HW:1 REMARKS patch DIPP HW:3 HW:2 REMARKS patch DIPP HW:4 HW:3 REMARKS patch DIPP HW:5 HW:4 REMARKS patch DIPP HW:6 HW:5 REMARKS patch DIPP HW:7 HW:6 REMARKS patch DIPP HW:8 HW:7 REMARKS patch DIPP HW:9 HW:8 REMARKS patch PCOA HW:1 REMARKS patch PCOC HW:9 REMARKS patch DIPP HX:2 HX:1 REMARKS patch DIPP HX:3 HX:2 REMARKS patch DIPP HX:4 HX:3 REMARKS patch DIPP HX:5 HX:4 REMARKS patch DIPP HX:6 HX:5 REMARKS patch DIPP HX:7 HX:6 REMARKS patch DIPP HX:8 HX:7 REMARKS patch DIPP HX:9 HX:8 REMARKS patch PCOA HX:1 REMARKS patch PCOC HX:9 REMARKS patch DIPP HY:2 HY:1 REMARKS patch DIPP HY:3 HY:2 REMARKS patch DIPP HY:4 HY:3 REMARKS patch DIPP HY:5 HY:4 REMARKS patch DIPP HY:6 HY:5 REMARKS patch DIPP HY:7 HY:6 REMARKS patch DIPP HY:8 HY:7 REMARKS patch DIPP HY:9 HY:8 REMARKS patch PCOA HY:1 REMARKS patch PCOC HY:9 REMARKS patch DIPP HZ:2 HZ:1 REMARKS patch DIPP HZ:3 HZ:2 REMARKS patch DIPP HZ:4 HZ:3 REMARKS patch DIPP HZ:5 HZ:4 REMARKS patch DIPP HZ:6 HZ:5 REMARKS patch DIPP HZ:7 HZ:6 REMARKS patch DIPP HZ:8 HZ:7 REMARKS patch DIPP HZ:9 HZ:8 REMARKS patch PCOA HZ:1 REMARKS patch PCOC HZ:9 REMARKS patch DIPP IA:2 IA:1 REMARKS patch DIPP IA:3 IA:2 REMARKS patch DIPP IA:4 IA:3 REMARKS patch DIPP IA:5 IA:4 REMARKS patch DIPP IA:6 IA:5 REMARKS patch DIPP IA:7 IA:6 REMARKS patch DIPP IA:8 IA:7 REMARKS patch DIPP IA:9 IA:8 REMARKS patch PCOA IA:1 REMARKS patch PCOC IA:9 REMARKS patch DIPP IB:2 IB:1 REMARKS patch DIPP IB:3 IB:2 REMARKS patch DIPP IB:4 IB:3 REMARKS patch DIPP IB:5 IB:4 REMARKS patch DIPP IB:6 IB:5 REMARKS patch DIPP IB:7 IB:6 REMARKS patch DIPP IB:8 IB:7 REMARKS patch DIPP IB:9 IB:8 REMARKS patch PCOA IB:1 REMARKS patch PCOC IB:9 REMARKS patch DIPP IC:2 IC:1 REMARKS patch DIPP IC:3 IC:2 REMARKS patch DIPP IC:4 IC:3 REMARKS patch DIPP IC:5 IC:4 REMARKS patch DIPP IC:6 IC:5 REMARKS patch DIPP IC:7 IC:6 REMARKS patch DIPP IC:8 IC:7 REMARKS patch DIPP IC:9 IC:8 REMARKS patch PCOA IC:1 REMARKS patch PCOC IC:9 REMARKS patch DIPP ID:2 ID:1 REMARKS patch DIPP ID:3 ID:2 REMARKS patch DIPP ID:4 ID:3 REMARKS patch DIPP ID:5 ID:4 REMARKS patch DIPP ID:6 ID:5 REMARKS patch DIPP ID:7 ID:6 REMARKS patch DIPP ID:8 ID:7 REMARKS patch DIPP ID:9 ID:8 REMARKS patch PCOA ID:1 REMARKS patch PCOC ID:9 REMARKS patch DIPP IE:2 IE:1 REMARKS patch DIPP IE:3 IE:2 REMARKS patch DIPP IE:4 IE:3 REMARKS patch DIPP IE:5 IE:4 REMARKS patch DIPP IE:6 IE:5 REMARKS patch DIPP IE:7 IE:6 REMARKS patch DIPP IE:8 IE:7 REMARKS patch DIPP IE:9 IE:8 REMARKS patch PCOA IE:1 REMARKS patch PCOC IE:9 REMARKS patch DIPP IF:2 IF:1 REMARKS patch DIPP IF:3 IF:2 REMARKS patch DIPP IF:4 IF:3 REMARKS patch DIPP IF:5 IF:4 REMARKS patch DIPP IF:6 IF:5 REMARKS patch DIPP IF:7 IF:6 REMARKS patch DIPP IF:8 IF:7 REMARKS patch DIPP IF:9 IF:8 REMARKS patch PCOA IF:1 REMARKS patch PCOC IF:9 REMARKS patch DIPP IG:2 IG:1 REMARKS patch DIPP IG:3 IG:2 REMARKS patch DIPP IG:4 IG:3 REMARKS patch DIPP IG:5 IG:4 REMARKS patch DIPP IG:6 IG:5 REMARKS patch DIPP IG:7 IG:6 REMARKS patch DIPP IG:8 IG:7 REMARKS patch DIPP IG:9 IG:8 REMARKS patch PCOA IG:1 REMARKS patch PCOC IG:9 REMARKS patch DIPP IH:2 IH:1 REMARKS patch DIPP IH:3 IH:2 REMARKS patch DIPP IH:4 IH:3 REMARKS patch DIPP IH:5 IH:4 REMARKS patch DIPP IH:6 IH:5 REMARKS patch DIPP IH:7 IH:6 REMARKS patch DIPP IH:8 IH:7 REMARKS patch DIPP IH:9 IH:8 REMARKS patch PCOA IH:1 REMARKS patch PCOC IH:9 REMARKS patch DIPP II:2 II:1 REMARKS patch DIPP II:3 II:2 REMARKS patch DIPP II:4 II:3 REMARKS patch DIPP II:5 II:4 REMARKS patch DIPP II:6 II:5 REMARKS patch DIPP II:7 II:6 REMARKS patch DIPP II:8 II:7 REMARKS patch DIPP II:9 II:8 REMARKS patch PCOA II:1 REMARKS patch PCOC II:9 REMARKS patch DIPP IJ:2 IJ:1 REMARKS patch DIPP IJ:3 IJ:2 REMARKS patch DIPP IJ:4 IJ:3 REMARKS patch DIPP IJ:5 IJ:4 REMARKS patch DIPP IJ:6 IJ:5 REMARKS patch DIPP IJ:7 IJ:6 REMARKS patch DIPP IJ:8 IJ:7 REMARKS patch DIPP IJ:9 IJ:8 REMARKS patch PCOA IJ:1 REMARKS patch PCOC IJ:9 REMARKS patch DIPP IK:2 IK:1 REMARKS patch DIPP IK:3 IK:2 REMARKS patch DIPP IK:4 IK:3 REMARKS patch DIPP IK:5 IK:4 REMARKS patch DIPP IK:6 IK:5 REMARKS patch DIPP IK:7 IK:6 REMARKS patch DIPP IK:8 IK:7 REMARKS patch DIPP IK:9 IK:8 REMARKS patch PCOA IK:1 REMARKS patch PCOC IK:9 47530 !NATOM 1 A 1 PET C2 CD 0.750000 12.0110 0 2 A 1 PET O21 OB -0.550000 15.9990 0 3 A 1 PET O22 OH1 -0.610000 15.9990 0 4 A 1 PET CZ CAP -0.030000 12.0110 0 5 A 1 PET H22 H 0.440000 1.0080 0 6 A 1 PET CD1 CAP -0.115000 12.0110 0 7 A 1 PET HD1 HP 0.115000 1.0080 0 8 A 1 PET CE1 CAP -0.115000 12.0110 0 9 A 1 PET HE1 HP 0.115000 1.0080 0 10 A 1 PET CD2 CAP -0.115000 12.0110 0 11 A 1 PET HD2 HP 0.115000 1.0080 0 12 A 1 PET CE2 CAP -0.115000 12.0110 0 13 A 1 PET HE2 HP 0.115000 1.0080 0 14 A 1 PET CG CAP 0.100000 12.0110 0 15 A 1 PET C1 CL 0.630000 12.0110 0 16 A 1 PET O11 OBL -0.520000 15.9990 0 17 A 1 PET O12 OSL -0.340000 15.9990 0 18 A 1 PET C3 CTL2 -0.050000 12.0110 0 19 A 1 PET H31 HAL2 0.090000 1.0080 0 20 A 1 PET H32 HAL2 0.090000 1.0080 0 21 A 2 PET CD1 CAP -0.115000 12.0110 0 22 A 2 PET HD1 HP 0.115000 1.0080 0 23 A 2 PET CE1 CAP -0.115000 12.0110 0 24 A 2 PET HE1 HP 0.115000 1.0080 0 25 A 2 PET CD2 CAP -0.115000 12.0110 0 26 A 2 PET HD2 HP 0.115000 1.0080 0 27 A 2 PET CE2 CAP -0.115000 12.0110 0 28 A 2 PET HE2 HP 0.115000 1.0080 0 29 A 2 PET CG CAP 0.100000 12.0110 0 30 A 2 PET C1 CL 0.630000 12.0110 0 31 A 2 PET O11 OBL -0.520000 15.9990 0 32 A 2 PET O12 OSL -0.340000 15.9990 0 33 A 2 PET C3 CTL2 -0.050000 12.0110 0 34 A 2 PET H31 HAL2 0.090000 1.0080 0 35 A 2 PET H32 HAL2 0.090000 1.0080 0 36 A 2 PET CZ CAP 0.100000 12.0110 0 37 A 2 PET C2 CL 0.630000 12.0110 0 38 A 2 PET O21 OBL -0.520000 15.9990 0 39 A 2 PET O22 OSL -0.340000 15.9990 0 40 A 2 PET C4 CTL2 -0.050000 12.0110 0 41 A 2 PET H41 HAL2 0.090000 1.0080 0 42 A 2 PET H42 HAL2 0.090000 1.0080 0 43 A 3 PET CD1 CAP -0.115000 12.0110 0 44 A 3 PET HD1 HP 0.115000 1.0080 0 45 A 3 PET CE1 CAP -0.115000 12.0110 0 46 A 3 PET HE1 HP 0.115000 1.0080 0 47 A 3 PET CD2 CAP -0.115000 12.0110 0 48 A 3 PET HD2 HP 0.115000 1.0080 0 49 A 3 PET CE2 CAP -0.115000 12.0110 0 50 A 3 PET HE2 HP 0.115000 1.0080 0 51 A 3 PET CG CAP 0.100000 12.0110 0 52 A 3 PET C1 CL 0.630000 12.0110 0 53 A 3 PET O11 OBL -0.520000 15.9990 0 54 A 3 PET O12 OSL -0.340000 15.9990 0 55 A 3 PET C3 CTL2 -0.050000 12.0110 0 56 A 3 PET H31 HAL2 0.090000 1.0080 0 57 A 3 PET H32 HAL2 0.090000 1.0080 0 58 A 3 PET CZ CAP 0.100000 12.0110 0 59 A 3 PET C2 CL 0.630000 12.0110 0 60 A 3 PET O21 OBL -0.520000 15.9990 0 61 A 3 PET O22 OSL -0.340000 15.9990 0 62 A 3 PET C4 CTL2 -0.050000 12.0110 0 63 A 3 PET H41 HAL2 0.090000 1.0080 0 64 A 3 PET H42 HAL2 0.090000 1.0080 0 65 A 4 PET CD1 CAP -0.115000 12.0110 0 66 A 4 PET HD1 HP 0.115000 1.0080 0 67 A 4 PET CE1 CAP -0.115000 12.0110 0 68 A 4 PET HE1 HP 0.115000 1.0080 0 69 A 4 PET CD2 CAP -0.115000 12.0110 0 70 A 4 PET HD2 HP 0.115000 1.0080 0 71 A 4 PET CE2 CAP -0.115000 12.0110 0 72 A 4 PET HE2 HP 0.115000 1.0080 0 73 A 4 PET CG CAP 0.100000 12.0110 0 74 A 4 PET C1 CL 0.630000 12.0110 0 75 A 4 PET O11 OBL -0.520000 15.9990 0 76 A 4 PET O12 OSL -0.340000 15.9990 0 77 A 4 PET C3 CTL2 -0.050000 12.0110 0 78 A 4 PET H31 HAL2 0.090000 1.0080 0 79 A 4 PET H32 HAL2 0.090000 1.0080 0 80 A 4 PET CZ CAP 0.100000 12.0110 0 81 A 4 PET C2 CL 0.630000 12.0110 0 82 A 4 PET O21 OBL -0.520000 15.9990 0 83 A 4 PET O22 OSL -0.340000 15.9990 0 84 A 4 PET C4 CTL2 -0.050000 12.0110 0 85 A 4 PET H41 HAL2 0.090000 1.0080 0 86 A 4 PET H42 HAL2 0.090000 1.0080 0 87 A 5 PET CD1 CAP -0.115000 12.0110 0 88 A 5 PET HD1 HP 0.115000 1.0080 0 89 A 5 PET CE1 CAP -0.115000 12.0110 0 90 A 5 PET HE1 HP 0.115000 1.0080 0 91 A 5 PET CD2 CAP -0.115000 12.0110 0 92 A 5 PET HD2 HP 0.115000 1.0080 0 93 A 5 PET CE2 CAP -0.115000 12.0110 0 94 A 5 PET HE2 HP 0.115000 1.0080 0 95 A 5 PET CG CAP 0.100000 12.0110 0 96 A 5 PET C1 CL 0.630000 12.0110 0 97 A 5 PET O11 OBL -0.520000 15.9990 0 98 A 5 PET O12 OSL -0.340000 15.9990 0 99 A 5 PET C3 CTL2 -0.050000 12.0110 0 100 A 5 PET H31 HAL2 0.090000 1.0080 0 101 A 5 PET H32 HAL2 0.090000 1.0080 0 102 A 5 PET CZ CAP 0.100000 12.0110 0 103 A 5 PET C2 CL 0.630000 12.0110 0 104 A 5 PET O21 OBL -0.520000 15.9990 0 105 A 5 PET O22 OSL -0.340000 15.9990 0 106 A 5 PET C4 CTL2 -0.050000 12.0110 0 107 A 5 PET H41 HAL2 0.090000 1.0080 0 108 A 5 PET H42 HAL2 0.090000 1.0080 0 109 A 6 PET CD1 CAP -0.115000 12.0110 0 110 A 6 PET HD1 HP 0.115000 1.0080 0 111 A 6 PET CE1 CAP -0.115000 12.0110 0 112 A 6 PET HE1 HP 0.115000 1.0080 0 113 A 6 PET CD2 CAP -0.115000 12.0110 0 114 A 6 PET HD2 HP 0.115000 1.0080 0 115 A 6 PET CE2 CAP -0.115000 12.0110 0 116 A 6 PET HE2 HP 0.115000 1.0080 0 117 A 6 PET CG CAP 0.100000 12.0110 0 118 A 6 PET C1 CL 0.630000 12.0110 0 119 A 6 PET O11 OBL -0.520000 15.9990 0 120 A 6 PET O12 OSL -0.340000 15.9990 0 121 A 6 PET C3 CTL2 -0.050000 12.0110 0 122 A 6 PET H31 HAL2 0.090000 1.0080 0 123 A 6 PET H32 HAL2 0.090000 1.0080 0 124 A 6 PET CZ CAP 0.100000 12.0110 0 125 A 6 PET C2 CL 0.630000 12.0110 0 126 A 6 PET O21 OBL -0.520000 15.9990 0 127 A 6 PET O22 OSL -0.340000 15.9990 0 128 A 6 PET C4 CTL2 -0.050000 12.0110 0 129 A 6 PET H41 HAL2 0.090000 1.0080 0 130 A 6 PET H42 HAL2 0.090000 1.0080 0 131 A 7 PET CD1 CAP -0.115000 12.0110 0 132 A 7 PET HD1 HP 0.115000 1.0080 0 133 A 7 PET CE1 CAP -0.115000 12.0110 0 134 A 7 PET HE1 HP 0.115000 1.0080 0 135 A 7 PET CD2 CAP -0.115000 12.0110 0 136 A 7 PET HD2 HP 0.115000 1.0080 0 137 A 7 PET CE2 CAP -0.115000 12.0110 0 138 A 7 PET HE2 HP 0.115000 1.0080 0 139 A 7 PET CG CAP 0.100000 12.0110 0 140 A 7 PET C1 CL 0.630000 12.0110 0 141 A 7 PET O11 OBL -0.520000 15.9990 0 142 A 7 PET O12 OSL -0.340000 15.9990 0 143 A 7 PET C3 CTL2 -0.050000 12.0110 0 144 A 7 PET H31 HAL2 0.090000 1.0080 0 145 A 7 PET H32 HAL2 0.090000 1.0080 0 146 A 7 PET CZ CAP 0.100000 12.0110 0 147 A 7 PET C2 CL 0.630000 12.0110 0 148 A 7 PET O21 OBL -0.520000 15.9990 0 149 A 7 PET O22 OSL -0.340000 15.9990 0 150 A 7 PET C4 CTL2 -0.050000 12.0110 0 151 A 7 PET H41 HAL2 0.090000 1.0080 0 152 A 7 PET H42 HAL2 0.090000 1.0080 0 153 A 8 PET CD1 CAP -0.115000 12.0110 0 154 A 8 PET HD1 HP 0.115000 1.0080 0 155 A 8 PET CE1 CAP -0.115000 12.0110 0 156 A 8 PET HE1 HP 0.115000 1.0080 0 157 A 8 PET CD2 CAP -0.115000 12.0110 0 158 A 8 PET HD2 HP 0.115000 1.0080 0 159 A 8 PET CE2 CAP -0.115000 12.0110 0 160 A 8 PET HE2 HP 0.115000 1.0080 0 161 A 8 PET CG CAP 0.100000 12.0110 0 162 A 8 PET C1 CL 0.630000 12.0110 0 163 A 8 PET O11 OBL -0.520000 15.9990 0 164 A 8 PET O12 OSL -0.340000 15.9990 0 165 A 8 PET C3 CTL2 -0.050000 12.0110 0 166 A 8 PET H31 HAL2 0.090000 1.0080 0 167 A 8 PET H32 HAL2 0.090000 1.0080 0 168 A 8 PET CZ CAP 0.100000 12.0110 0 169 A 8 PET C2 CL 0.630000 12.0110 0 170 A 8 PET O21 OBL -0.520000 15.9990 0 171 A 8 PET O22 OSL -0.340000 15.9990 0 172 A 8 PET C4 CTL2 -0.050000 12.0110 0 173 A 8 PET H41 HAL2 0.090000 1.0080 0 174 A 8 PET H42 HAL2 0.090000 1.0080 0 175 A 9 PET C1 CD 0.750000 12.0110 0 176 A 9 PET O11 OB -0.550000 15.9990 0 177 A 9 PET O12 OH1 -0.610000 15.9990 0 178 A 9 PET CG CAP -0.030000 12.0110 0 179 A 9 PET H12 H 0.440000 1.0080 0 180 A 9 PET CD1 CAP -0.115000 12.0110 0 181 A 9 PET HD1 HP 0.115000 1.0080 0 182 A 9 PET CE1 CAP -0.115000 12.0110 0 183 A 9 PET HE1 HP 0.115000 1.0080 0 184 A 9 PET CD2 CAP -0.115000 12.0110 0 185 A 9 PET HD2 HP 0.115000 1.0080 0 186 A 9 PET CE2 CAP -0.115000 12.0110 0 187 A 9 PET HE2 HP 0.115000 1.0080 0 188 A 9 PET CZ CAP 0.100000 12.0110 0 189 A 9 PET C2 CL 0.630000 12.0110 0 190 A 9 PET O21 OBL -0.520000 15.9990 0 191 A 9 PET O22 OSL -0.340000 15.9990 0 192 A 9 PET C4 CTL2 -0.050000 12.0110 0 193 A 9 PET H41 HAL2 0.090000 1.0080 0 194 A 9 PET H42 HAL2 0.090000 1.0080 0 195 B 1 PET C2 CD 0.750000 12.0110 0 196 B 1 PET O21 OB -0.550000 15.9990 0 197 B 1 PET O22 OH1 -0.610000 15.9990 0 198 B 1 PET CZ CAP -0.030000 12.0110 0 199 B 1 PET H22 H 0.440000 1.0080 0 200 B 1 PET CD1 CAP -0.115000 12.0110 0 201 B 1 PET HD1 HP 0.115000 1.0080 0 202 B 1 PET CE1 CAP -0.115000 12.0110 0 203 B 1 PET HE1 HP 0.115000 1.0080 0 204 B 1 PET CD2 CAP -0.115000 12.0110 0 205 B 1 PET HD2 HP 0.115000 1.0080 0 206 B 1 PET CE2 CAP -0.115000 12.0110 0 207 B 1 PET HE2 HP 0.115000 1.0080 0 208 B 1 PET CG CAP 0.100000 12.0110 0 209 B 1 PET C1 CL 0.630000 12.0110 0 210 B 1 PET O11 OBL -0.520000 15.9990 0 211 B 1 PET O12 OSL -0.340000 15.9990 0 212 B 1 PET C3 CTL2 -0.050000 12.0110 0 213 B 1 PET H31 HAL2 0.090000 1.0080 0 214 B 1 PET H32 HAL2 0.090000 1.0080 0 215 B 2 PET CD1 CAP -0.115000 12.0110 0 216 B 2 PET HD1 HP 0.115000 1.0080 0 217 B 2 PET CE1 CAP -0.115000 12.0110 0 218 B 2 PET HE1 HP 0.115000 1.0080 0 219 B 2 PET CD2 CAP -0.115000 12.0110 0 220 B 2 PET HD2 HP 0.115000 1.0080 0 221 B 2 PET CE2 CAP -0.115000 12.0110 0 222 B 2 PET HE2 HP 0.115000 1.0080 0 223 B 2 PET CG CAP 0.100000 12.0110 0 224 B 2 PET C1 CL 0.630000 12.0110 0 225 B 2 PET O11 OBL -0.520000 15.9990 0 226 B 2 PET O12 OSL -0.340000 15.9990 0 227 B 2 PET C3 CTL2 -0.050000 12.0110 0 228 B 2 PET H31 HAL2 0.090000 1.0080 0 229 B 2 PET H32 HAL2 0.090000 1.0080 0 230 B 2 PET CZ CAP 0.100000 12.0110 0 231 B 2 PET C2 CL 0.630000 12.0110 0 232 B 2 PET O21 OBL -0.520000 15.9990 0 233 B 2 PET O22 OSL -0.340000 15.9990 0 234 B 2 PET C4 CTL2 -0.050000 12.0110 0 235 B 2 PET H41 HAL2 0.090000 1.0080 0 236 B 2 PET H42 HAL2 0.090000 1.0080 0 237 B 3 PET CD1 CAP -0.115000 12.0110 0 238 B 3 PET HD1 HP 0.115000 1.0080 0 239 B 3 PET CE1 CAP -0.115000 12.0110 0 240 B 3 PET HE1 HP 0.115000 1.0080 0 241 B 3 PET CD2 CAP -0.115000 12.0110 0 242 B 3 PET HD2 HP 0.115000 1.0080 0 243 B 3 PET CE2 CAP -0.115000 12.0110 0 244 B 3 PET HE2 HP 0.115000 1.0080 0 245 B 3 PET CG CAP 0.100000 12.0110 0 246 B 3 PET C1 CL 0.630000 12.0110 0 247 B 3 PET O11 OBL -0.520000 15.9990 0 248 B 3 PET O12 OSL -0.340000 15.9990 0 249 B 3 PET C3 CTL2 -0.050000 12.0110 0 250 B 3 PET H31 HAL2 0.090000 1.0080 0 251 B 3 PET H32 HAL2 0.090000 1.0080 0 252 B 3 PET CZ CAP 0.100000 12.0110 0 253 B 3 PET C2 CL 0.630000 12.0110 0 254 B 3 PET O21 OBL -0.520000 15.9990 0 255 B 3 PET O22 OSL -0.340000 15.9990 0 256 B 3 PET C4 CTL2 -0.050000 12.0110 0 257 B 3 PET H41 HAL2 0.090000 1.0080 0 258 B 3 PET H42 HAL2 0.090000 1.0080 0 259 B 4 PET CD1 CAP -0.115000 12.0110 0 260 B 4 PET HD1 HP 0.115000 1.0080 0 261 B 4 PET CE1 CAP -0.115000 12.0110 0 262 B 4 PET HE1 HP 0.115000 1.0080 0 263 B 4 PET CD2 CAP -0.115000 12.0110 0 264 B 4 PET HD2 HP 0.115000 1.0080 0 265 B 4 PET CE2 CAP -0.115000 12.0110 0 266 B 4 PET HE2 HP 0.115000 1.0080 0 267 B 4 PET CG CAP 0.100000 12.0110 0 268 B 4 PET C1 CL 0.630000 12.0110 0 269 B 4 PET O11 OBL -0.520000 15.9990 0 270 B 4 PET O12 OSL -0.340000 15.9990 0 271 B 4 PET C3 CTL2 -0.050000 12.0110 0 272 B 4 PET H31 HAL2 0.090000 1.0080 0 273 B 4 PET H32 HAL2 0.090000 1.0080 0 274 B 4 PET CZ CAP 0.100000 12.0110 0 275 B 4 PET C2 CL 0.630000 12.0110 0 276 B 4 PET O21 OBL -0.520000 15.9990 0 277 B 4 PET O22 OSL -0.340000 15.9990 0 278 B 4 PET C4 CTL2 -0.050000 12.0110 0 279 B 4 PET H41 HAL2 0.090000 1.0080 0 280 B 4 PET H42 HAL2 0.090000 1.0080 0 281 B 5 PET CD1 CAP -0.115000 12.0110 0 282 B 5 PET HD1 HP 0.115000 1.0080 0 283 B 5 PET CE1 CAP -0.115000 12.0110 0 284 B 5 PET HE1 HP 0.115000 1.0080 0 285 B 5 PET CD2 CAP -0.115000 12.0110 0 286 B 5 PET HD2 HP 0.115000 1.0080 0 287 B 5 PET CE2 CAP -0.115000 12.0110 0 288 B 5 PET HE2 HP 0.115000 1.0080 0 289 B 5 PET CG CAP 0.100000 12.0110 0 290 B 5 PET C1 CL 0.630000 12.0110 0 291 B 5 PET O11 OBL -0.520000 15.9990 0 292 B 5 PET O12 OSL -0.340000 15.9990 0 293 B 5 PET C3 CTL2 -0.050000 12.0110 0 294 B 5 PET H31 HAL2 0.090000 1.0080 0 295 B 5 PET H32 HAL2 0.090000 1.0080 0 296 B 5 PET CZ CAP 0.100000 12.0110 0 297 B 5 PET C2 CL 0.630000 12.0110 0 298 B 5 PET O21 OBL -0.520000 15.9990 0 299 B 5 PET O22 OSL -0.340000 15.9990 0 300 B 5 PET C4 CTL2 -0.050000 12.0110 0 301 B 5 PET H41 HAL2 0.090000 1.0080 0 302 B 5 PET H42 HAL2 0.090000 1.0080 0 303 B 6 PET CD1 CAP -0.115000 12.0110 0 304 B 6 PET HD1 HP 0.115000 1.0080 0 305 B 6 PET CE1 CAP -0.115000 12.0110 0 306 B 6 PET HE1 HP 0.115000 1.0080 0 307 B 6 PET CD2 CAP -0.115000 12.0110 0 308 B 6 PET HD2 HP 0.115000 1.0080 0 309 B 6 PET CE2 CAP -0.115000 12.0110 0 310 B 6 PET HE2 HP 0.115000 1.0080 0 311 B 6 PET CG CAP 0.100000 12.0110 0 312 B 6 PET C1 CL 0.630000 12.0110 0 313 B 6 PET O11 OBL -0.520000 15.9990 0 314 B 6 PET O12 OSL -0.340000 15.9990 0 315 B 6 PET C3 CTL2 -0.050000 12.0110 0 316 B 6 PET H31 HAL2 0.090000 1.0080 0 317 B 6 PET H32 HAL2 0.090000 1.0080 0 318 B 6 PET CZ CAP 0.100000 12.0110 0 319 B 6 PET C2 CL 0.630000 12.0110 0 320 B 6 PET O21 OBL -0.520000 15.9990 0 321 B 6 PET O22 OSL -0.340000 15.9990 0 322 B 6 PET C4 CTL2 -0.050000 12.0110 0 323 B 6 PET H41 HAL2 0.090000 1.0080 0 324 B 6 PET H42 HAL2 0.090000 1.0080 0 325 B 7 PET CD1 CAP -0.115000 12.0110 0 326 B 7 PET HD1 HP 0.115000 1.0080 0 327 B 7 PET CE1 CAP -0.115000 12.0110 0 328 B 7 PET HE1 HP 0.115000 1.0080 0 329 B 7 PET CD2 CAP -0.115000 12.0110 0 330 B 7 PET HD2 HP 0.115000 1.0080 0 331 B 7 PET CE2 CAP -0.115000 12.0110 0 332 B 7 PET HE2 HP 0.115000 1.0080 0 333 B 7 PET CG CAP 0.100000 12.0110 0 334 B 7 PET C1 CL 0.630000 12.0110 0 335 B 7 PET O11 OBL -0.520000 15.9990 0 336 B 7 PET O12 OSL -0.340000 15.9990 0 337 B 7 PET C3 CTL2 -0.050000 12.0110 0 338 B 7 PET H31 HAL2 0.090000 1.0080 0 339 B 7 PET H32 HAL2 0.090000 1.0080 0 340 B 7 PET CZ CAP 0.100000 12.0110 0 341 B 7 PET C2 CL 0.630000 12.0110 0 342 B 7 PET O21 OBL -0.520000 15.9990 0 343 B 7 PET O22 OSL -0.340000 15.9990 0 344 B 7 PET C4 CTL2 -0.050000 12.0110 0 345 B 7 PET H41 HAL2 0.090000 1.0080 0 346 B 7 PET H42 HAL2 0.090000 1.0080 0 347 B 8 PET CD1 CAP -0.115000 12.0110 0 348 B 8 PET HD1 HP 0.115000 1.0080 0 349 B 8 PET CE1 CAP -0.115000 12.0110 0 350 B 8 PET HE1 HP 0.115000 1.0080 0 351 B 8 PET CD2 CAP -0.115000 12.0110 0 352 B 8 PET HD2 HP 0.115000 1.0080 0 353 B 8 PET CE2 CAP -0.115000 12.0110 0 354 B 8 PET HE2 HP 0.115000 1.0080 0 355 B 8 PET CG CAP 0.100000 12.0110 0 356 B 8 PET C1 CL 0.630000 12.0110 0 357 B 8 PET O11 OBL -0.520000 15.9990 0 358 B 8 PET O12 OSL -0.340000 15.9990 0 359 B 8 PET C3 CTL2 -0.050000 12.0110 0 360 B 8 PET H31 HAL2 0.090000 1.0080 0 361 B 8 PET H32 HAL2 0.090000 1.0080 0 362 B 8 PET CZ CAP 0.100000 12.0110 0 363 B 8 PET C2 CL 0.630000 12.0110 0 364 B 8 PET O21 OBL -0.520000 15.9990 0 365 B 8 PET O22 OSL -0.340000 15.9990 0 366 B 8 PET C4 CTL2 -0.050000 12.0110 0 367 B 8 PET H41 HAL2 0.090000 1.0080 0 368 B 8 PET H42 HAL2 0.090000 1.0080 0 369 B 9 PET C1 CD 0.750000 12.0110 0 370 B 9 PET O11 OB -0.550000 15.9990 0 371 B 9 PET O12 OH1 -0.610000 15.9990 0 372 B 9 PET CG CAP -0.030000 12.0110 0 373 B 9 PET H12 H 0.440000 1.0080 0 374 B 9 PET CD1 CAP -0.115000 12.0110 0 375 B 9 PET HD1 HP 0.115000 1.0080 0 376 B 9 PET CE1 CAP -0.115000 12.0110 0 377 B 9 PET HE1 HP 0.115000 1.0080 0 378 B 9 PET CD2 CAP -0.115000 12.0110 0 379 B 9 PET HD2 HP 0.115000 1.0080 0 380 B 9 PET CE2 CAP -0.115000 12.0110 0 381 B 9 PET HE2 HP 0.115000 1.0080 0 382 B 9 PET CZ CAP 0.100000 12.0110 0 383 B 9 PET C2 CL 0.630000 12.0110 0 384 B 9 PET O21 OBL -0.520000 15.9990 0 385 B 9 PET O22 OSL -0.340000 15.9990 0 386 B 9 PET C4 CTL2 -0.050000 12.0110 0 387 B 9 PET H41 HAL2 0.090000 1.0080 0 388 B 9 PET H42 HAL2 0.090000 1.0080 0 389 C 1 PET C2 CD 0.750000 12.0110 0 390 C 1 PET O21 OB -0.550000 15.9990 0 391 C 1 PET O22 OH1 -0.610000 15.9990 0 392 C 1 PET CZ CAP -0.030000 12.0110 0 393 C 1 PET H22 H 0.440000 1.0080 0 394 C 1 PET CD1 CAP -0.115000 12.0110 0 395 C 1 PET HD1 HP 0.115000 1.0080 0 396 C 1 PET CE1 CAP -0.115000 12.0110 0 397 C 1 PET HE1 HP 0.115000 1.0080 0 398 C 1 PET CD2 CAP -0.115000 12.0110 0 399 C 1 PET HD2 HP 0.115000 1.0080 0 400 C 1 PET CE2 CAP -0.115000 12.0110 0 401 C 1 PET HE2 HP 0.115000 1.0080 0 402 C 1 PET CG CAP 0.100000 12.0110 0 403 C 1 PET C1 CL 0.630000 12.0110 0 404 C 1 PET O11 OBL -0.520000 15.9990 0 405 C 1 PET O12 OSL -0.340000 15.9990 0 406 C 1 PET C3 CTL2 -0.050000 12.0110 0 407 C 1 PET H31 HAL2 0.090000 1.0080 0 408 C 1 PET H32 HAL2 0.090000 1.0080 0 409 C 2 PET CD1 CAP -0.115000 12.0110 0 410 C 2 PET HD1 HP 0.115000 1.0080 0 411 C 2 PET CE1 CAP -0.115000 12.0110 0 412 C 2 PET HE1 HP 0.115000 1.0080 0 413 C 2 PET CD2 CAP -0.115000 12.0110 0 414 C 2 PET HD2 HP 0.115000 1.0080 0 415 C 2 PET CE2 CAP -0.115000 12.0110 0 416 C 2 PET HE2 HP 0.115000 1.0080 0 417 C 2 PET CG CAP 0.100000 12.0110 0 418 C 2 PET C1 CL 0.630000 12.0110 0 419 C 2 PET O11 OBL -0.520000 15.9990 0 420 C 2 PET O12 OSL -0.340000 15.9990 0 421 C 2 PET C3 CTL2 -0.050000 12.0110 0 422 C 2 PET H31 HAL2 0.090000 1.0080 0 423 C 2 PET H32 HAL2 0.090000 1.0080 0 424 C 2 PET CZ CAP 0.100000 12.0110 0 425 C 2 PET C2 CL 0.630000 12.0110 0 426 C 2 PET O21 OBL -0.520000 15.9990 0 427 C 2 PET O22 OSL -0.340000 15.9990 0 428 C 2 PET C4 CTL2 -0.050000 12.0110 0 429 C 2 PET H41 HAL2 0.090000 1.0080 0 430 C 2 PET H42 HAL2 0.090000 1.0080 0 431 C 3 PET CD1 CAP -0.115000 12.0110 0 432 C 3 PET HD1 HP 0.115000 1.0080 0 433 C 3 PET CE1 CAP -0.115000 12.0110 0 434 C 3 PET HE1 HP 0.115000 1.0080 0 435 C 3 PET CD2 CAP -0.115000 12.0110 0 436 C 3 PET HD2 HP 0.115000 1.0080 0 437 C 3 PET CE2 CAP -0.115000 12.0110 0 438 C 3 PET HE2 HP 0.115000 1.0080 0 439 C 3 PET CG CAP 0.100000 12.0110 0 440 C 3 PET C1 CL 0.630000 12.0110 0 441 C 3 PET O11 OBL -0.520000 15.9990 0 442 C 3 PET O12 OSL -0.340000 15.9990 0 443 C 3 PET C3 CTL2 -0.050000 12.0110 0 444 C 3 PET H31 HAL2 0.090000 1.0080 0 445 C 3 PET H32 HAL2 0.090000 1.0080 0 446 C 3 PET CZ CAP 0.100000 12.0110 0 447 C 3 PET C2 CL 0.630000 12.0110 0 448 C 3 PET O21 OBL -0.520000 15.9990 0 449 C 3 PET O22 OSL -0.340000 15.9990 0 450 C 3 PET C4 CTL2 -0.050000 12.0110 0 451 C 3 PET H41 HAL2 0.090000 1.0080 0 452 C 3 PET H42 HAL2 0.090000 1.0080 0 453 C 4 PET CD1 CAP -0.115000 12.0110 0 454 C 4 PET HD1 HP 0.115000 1.0080 0 455 C 4 PET CE1 CAP -0.115000 12.0110 0 456 C 4 PET HE1 HP 0.115000 1.0080 0 457 C 4 PET CD2 CAP -0.115000 12.0110 0 458 C 4 PET HD2 HP 0.115000 1.0080 0 459 C 4 PET CE2 CAP -0.115000 12.0110 0 460 C 4 PET HE2 HP 0.115000 1.0080 0 461 C 4 PET CG CAP 0.100000 12.0110 0 462 C 4 PET C1 CL 0.630000 12.0110 0 463 C 4 PET O11 OBL -0.520000 15.9990 0 464 C 4 PET O12 OSL -0.340000 15.9990 0 465 C 4 PET C3 CTL2 -0.050000 12.0110 0 466 C 4 PET H31 HAL2 0.090000 1.0080 0 467 C 4 PET H32 HAL2 0.090000 1.0080 0 468 C 4 PET CZ CAP 0.100000 12.0110 0 469 C 4 PET C2 CL 0.630000 12.0110 0 470 C 4 PET O21 OBL -0.520000 15.9990 0 471 C 4 PET O22 OSL -0.340000 15.9990 0 472 C 4 PET C4 CTL2 -0.050000 12.0110 0 473 C 4 PET H41 HAL2 0.090000 1.0080 0 474 C 4 PET H42 HAL2 0.090000 1.0080 0 475 C 5 PET CD1 CAP -0.115000 12.0110 0 476 C 5 PET HD1 HP 0.115000 1.0080 0 477 C 5 PET CE1 CAP -0.115000 12.0110 0 478 C 5 PET HE1 HP 0.115000 1.0080 0 479 C 5 PET CD2 CAP -0.115000 12.0110 0 480 C 5 PET HD2 HP 0.115000 1.0080 0 481 C 5 PET CE2 CAP -0.115000 12.0110 0 482 C 5 PET HE2 HP 0.115000 1.0080 0 483 C 5 PET CG CAP 0.100000 12.0110 0 484 C 5 PET C1 CL 0.630000 12.0110 0 485 C 5 PET O11 OBL -0.520000 15.9990 0 486 C 5 PET O12 OSL -0.340000 15.9990 0 487 C 5 PET C3 CTL2 -0.050000 12.0110 0 488 C 5 PET H31 HAL2 0.090000 1.0080 0 489 C 5 PET H32 HAL2 0.090000 1.0080 0 490 C 5 PET CZ CAP 0.100000 12.0110 0 491 C 5 PET C2 CL 0.630000 12.0110 0 492 C 5 PET O21 OBL -0.520000 15.9990 0 493 C 5 PET O22 OSL -0.340000 15.9990 0 494 C 5 PET C4 CTL2 -0.050000 12.0110 0 495 C 5 PET H41 HAL2 0.090000 1.0080 0 496 C 5 PET H42 HAL2 0.090000 1.0080 0 497 C 6 PET CD1 CAP -0.115000 12.0110 0 498 C 6 PET HD1 HP 0.115000 1.0080 0 499 C 6 PET CE1 CAP -0.115000 12.0110 0 500 C 6 PET HE1 HP 0.115000 1.0080 0 501 C 6 PET CD2 CAP -0.115000 12.0110 0 502 C 6 PET HD2 HP 0.115000 1.0080 0 503 C 6 PET CE2 CAP -0.115000 12.0110 0 504 C 6 PET HE2 HP 0.115000 1.0080 0 505 C 6 PET CG CAP 0.100000 12.0110 0 506 C 6 PET C1 CL 0.630000 12.0110 0 507 C 6 PET O11 OBL -0.520000 15.9990 0 508 C 6 PET O12 OSL -0.340000 15.9990 0 509 C 6 PET C3 CTL2 -0.050000 12.0110 0 510 C 6 PET H31 HAL2 0.090000 1.0080 0 511 C 6 PET H32 HAL2 0.090000 1.0080 0 512 C 6 PET CZ CAP 0.100000 12.0110 0 513 C 6 PET C2 CL 0.630000 12.0110 0 514 C 6 PET O21 OBL -0.520000 15.9990 0 515 C 6 PET O22 OSL -0.340000 15.9990 0 516 C 6 PET C4 CTL2 -0.050000 12.0110 0 517 C 6 PET H41 HAL2 0.090000 1.0080 0 518 C 6 PET H42 HAL2 0.090000 1.0080 0 519 C 7 PET CD1 CAP -0.115000 12.0110 0 520 C 7 PET HD1 HP 0.115000 1.0080 0 521 C 7 PET CE1 CAP -0.115000 12.0110 0 522 C 7 PET HE1 HP 0.115000 1.0080 0 523 C 7 PET CD2 CAP -0.115000 12.0110 0 524 C 7 PET HD2 HP 0.115000 1.0080 0 525 C 7 PET CE2 CAP -0.115000 12.0110 0 526 C 7 PET HE2 HP 0.115000 1.0080 0 527 C 7 PET CG CAP 0.100000 12.0110 0 528 C 7 PET C1 CL 0.630000 12.0110 0 529 C 7 PET O11 OBL -0.520000 15.9990 0 530 C 7 PET O12 OSL -0.340000 15.9990 0 531 C 7 PET C3 CTL2 -0.050000 12.0110 0 532 C 7 PET H31 HAL2 0.090000 1.0080 0 533 C 7 PET H32 HAL2 0.090000 1.0080 0 534 C 7 PET CZ CAP 0.100000 12.0110 0 535 C 7 PET C2 CL 0.630000 12.0110 0 536 C 7 PET O21 OBL -0.520000 15.9990 0 537 C 7 PET O22 OSL -0.340000 15.9990 0 538 C 7 PET C4 CTL2 -0.050000 12.0110 0 539 C 7 PET H41 HAL2 0.090000 1.0080 0 540 C 7 PET H42 HAL2 0.090000 1.0080 0 541 C 8 PET CD1 CAP -0.115000 12.0110 0 542 C 8 PET HD1 HP 0.115000 1.0080 0 543 C 8 PET CE1 CAP -0.115000 12.0110 0 544 C 8 PET HE1 HP 0.115000 1.0080 0 545 C 8 PET CD2 CAP -0.115000 12.0110 0 546 C 8 PET HD2 HP 0.115000 1.0080 0 547 C 8 PET CE2 CAP -0.115000 12.0110 0 548 C 8 PET HE2 HP 0.115000 1.0080 0 549 C 8 PET CG CAP 0.100000 12.0110 0 550 C 8 PET C1 CL 0.630000 12.0110 0 551 C 8 PET O11 OBL -0.520000 15.9990 0 552 C 8 PET O12 OSL -0.340000 15.9990 0 553 C 8 PET C3 CTL2 -0.050000 12.0110 0 554 C 8 PET H31 HAL2 0.090000 1.0080 0 555 C 8 PET H32 HAL2 0.090000 1.0080 0 556 C 8 PET CZ CAP 0.100000 12.0110 0 557 C 8 PET C2 CL 0.630000 12.0110 0 558 C 8 PET O21 OBL -0.520000 15.9990 0 559 C 8 PET O22 OSL -0.340000 15.9990 0 560 C 8 PET C4 CTL2 -0.050000 12.0110 0 561 C 8 PET H41 HAL2 0.090000 1.0080 0 562 C 8 PET H42 HAL2 0.090000 1.0080 0 563 C 9 PET C1 CD 0.750000 12.0110 0 564 C 9 PET O11 OB -0.550000 15.9990 0 565 C 9 PET O12 OH1 -0.610000 15.9990 0 566 C 9 PET CG CAP -0.030000 12.0110 0 567 C 9 PET H12 H 0.440000 1.0080 0 568 C 9 PET CD1 CAP -0.115000 12.0110 0 569 C 9 PET HD1 HP 0.115000 1.0080 0 570 C 9 PET CE1 CAP -0.115000 12.0110 0 571 C 9 PET HE1 HP 0.115000 1.0080 0 572 C 9 PET CD2 CAP -0.115000 12.0110 0 573 C 9 PET HD2 HP 0.115000 1.0080 0 574 C 9 PET CE2 CAP -0.115000 12.0110 0 575 C 9 PET HE2 HP 0.115000 1.0080 0 576 C 9 PET CZ CAP 0.100000 12.0110 0 577 C 9 PET C2 CL 0.630000 12.0110 0 578 C 9 PET O21 OBL -0.520000 15.9990 0 579 C 9 PET O22 OSL -0.340000 15.9990 0 580 C 9 PET C4 CTL2 -0.050000 12.0110 0 581 C 9 PET H41 HAL2 0.090000 1.0080 0 582 C 9 PET H42 HAL2 0.090000 1.0080 0 583 D 1 PET C2 CD 0.750000 12.0110 0 584 D 1 PET O21 OB -0.550000 15.9990 0 585 D 1 PET O22 OH1 -0.610000 15.9990 0 586 D 1 PET CZ CAP -0.030000 12.0110 0 587 D 1 PET H22 H 0.440000 1.0080 0 588 D 1 PET CD1 CAP -0.115000 12.0110 0 589 D 1 PET HD1 HP 0.115000 1.0080 0 590 D 1 PET CE1 CAP -0.115000 12.0110 0 591 D 1 PET HE1 HP 0.115000 1.0080 0 592 D 1 PET CD2 CAP -0.115000 12.0110 0 593 D 1 PET HD2 HP 0.115000 1.0080 0 594 D 1 PET CE2 CAP -0.115000 12.0110 0 595 D 1 PET HE2 HP 0.115000 1.0080 0 596 D 1 PET CG CAP 0.100000 12.0110 0 597 D 1 PET C1 CL 0.630000 12.0110 0 598 D 1 PET O11 OBL -0.520000 15.9990 0 599 D 1 PET O12 OSL -0.340000 15.9990 0 600 D 1 PET C3 CTL2 -0.050000 12.0110 0 601 D 1 PET H31 HAL2 0.090000 1.0080 0 602 D 1 PET H32 HAL2 0.090000 1.0080 0 603 D 2 PET CD1 CAP -0.115000 12.0110 0 604 D 2 PET HD1 HP 0.115000 1.0080 0 605 D 2 PET CE1 CAP -0.115000 12.0110 0 606 D 2 PET HE1 HP 0.115000 1.0080 0 607 D 2 PET CD2 CAP -0.115000 12.0110 0 608 D 2 PET HD2 HP 0.115000 1.0080 0 609 D 2 PET CE2 CAP -0.115000 12.0110 0 610 D 2 PET HE2 HP 0.115000 1.0080 0 611 D 2 PET CG CAP 0.100000 12.0110 0 612 D 2 PET C1 CL 0.630000 12.0110 0 613 D 2 PET O11 OBL -0.520000 15.9990 0 614 D 2 PET O12 OSL -0.340000 15.9990 0 615 D 2 PET C3 CTL2 -0.050000 12.0110 0 616 D 2 PET H31 HAL2 0.090000 1.0080 0 617 D 2 PET H32 HAL2 0.090000 1.0080 0 618 D 2 PET CZ CAP 0.100000 12.0110 0 619 D 2 PET C2 CL 0.630000 12.0110 0 620 D 2 PET O21 OBL -0.520000 15.9990 0 621 D 2 PET O22 OSL -0.340000 15.9990 0 622 D 2 PET C4 CTL2 -0.050000 12.0110 0 623 D 2 PET H41 HAL2 0.090000 1.0080 0 624 D 2 PET H42 HAL2 0.090000 1.0080 0 625 D 3 PET CD1 CAP -0.115000 12.0110 0 626 D 3 PET HD1 HP 0.115000 1.0080 0 627 D 3 PET CE1 CAP -0.115000 12.0110 0 628 D 3 PET HE1 HP 0.115000 1.0080 0 629 D 3 PET CD2 CAP -0.115000 12.0110 0 630 D 3 PET HD2 HP 0.115000 1.0080 0 631 D 3 PET CE2 CAP -0.115000 12.0110 0 632 D 3 PET HE2 HP 0.115000 1.0080 0 633 D 3 PET CG CAP 0.100000 12.0110 0 634 D 3 PET C1 CL 0.630000 12.0110 0 635 D 3 PET O11 OBL -0.520000 15.9990 0 636 D 3 PET O12 OSL -0.340000 15.9990 0 637 D 3 PET C3 CTL2 -0.050000 12.0110 0 638 D 3 PET H31 HAL2 0.090000 1.0080 0 639 D 3 PET H32 HAL2 0.090000 1.0080 0 640 D 3 PET CZ CAP 0.100000 12.0110 0 641 D 3 PET C2 CL 0.630000 12.0110 0 642 D 3 PET O21 OBL -0.520000 15.9990 0 643 D 3 PET O22 OSL -0.340000 15.9990 0 644 D 3 PET C4 CTL2 -0.050000 12.0110 0 645 D 3 PET H41 HAL2 0.090000 1.0080 0 646 D 3 PET H42 HAL2 0.090000 1.0080 0 647 D 4 PET CD1 CAP -0.115000 12.0110 0 648 D 4 PET HD1 HP 0.115000 1.0080 0 649 D 4 PET CE1 CAP -0.115000 12.0110 0 650 D 4 PET HE1 HP 0.115000 1.0080 0 651 D 4 PET CD2 CAP -0.115000 12.0110 0 652 D 4 PET HD2 HP 0.115000 1.0080 0 653 D 4 PET CE2 CAP -0.115000 12.0110 0 654 D 4 PET HE2 HP 0.115000 1.0080 0 655 D 4 PET CG CAP 0.100000 12.0110 0 656 D 4 PET C1 CL 0.630000 12.0110 0 657 D 4 PET O11 OBL -0.520000 15.9990 0 658 D 4 PET O12 OSL -0.340000 15.9990 0 659 D 4 PET C3 CTL2 -0.050000 12.0110 0 660 D 4 PET H31 HAL2 0.090000 1.0080 0 661 D 4 PET H32 HAL2 0.090000 1.0080 0 662 D 4 PET CZ CAP 0.100000 12.0110 0 663 D 4 PET C2 CL 0.630000 12.0110 0 664 D 4 PET O21 OBL -0.520000 15.9990 0 665 D 4 PET O22 OSL -0.340000 15.9990 0 666 D 4 PET C4 CTL2 -0.050000 12.0110 0 667 D 4 PET H41 HAL2 0.090000 1.0080 0 668 D 4 PET H42 HAL2 0.090000 1.0080 0 669 D 5 PET CD1 CAP -0.115000 12.0110 0 670 D 5 PET HD1 HP 0.115000 1.0080 0 671 D 5 PET CE1 CAP -0.115000 12.0110 0 672 D 5 PET HE1 HP 0.115000 1.0080 0 673 D 5 PET CD2 CAP -0.115000 12.0110 0 674 D 5 PET HD2 HP 0.115000 1.0080 0 675 D 5 PET CE2 CAP -0.115000 12.0110 0 676 D 5 PET HE2 HP 0.115000 1.0080 0 677 D 5 PET CG CAP 0.100000 12.0110 0 678 D 5 PET C1 CL 0.630000 12.0110 0 679 D 5 PET O11 OBL -0.520000 15.9990 0 680 D 5 PET O12 OSL -0.340000 15.9990 0 681 D 5 PET C3 CTL2 -0.050000 12.0110 0 682 D 5 PET H31 HAL2 0.090000 1.0080 0 683 D 5 PET H32 HAL2 0.090000 1.0080 0 684 D 5 PET CZ CAP 0.100000 12.0110 0 685 D 5 PET C2 CL 0.630000 12.0110 0 686 D 5 PET O21 OBL -0.520000 15.9990 0 687 D 5 PET O22 OSL -0.340000 15.9990 0 688 D 5 PET C4 CTL2 -0.050000 12.0110 0 689 D 5 PET H41 HAL2 0.090000 1.0080 0 690 D 5 PET H42 HAL2 0.090000 1.0080 0 691 D 6 PET CD1 CAP -0.115000 12.0110 0 692 D 6 PET HD1 HP 0.115000 1.0080 0 693 D 6 PET CE1 CAP -0.115000 12.0110 0 694 D 6 PET HE1 HP 0.115000 1.0080 0 695 D 6 PET CD2 CAP -0.115000 12.0110 0 696 D 6 PET HD2 HP 0.115000 1.0080 0 697 D 6 PET CE2 CAP -0.115000 12.0110 0 698 D 6 PET HE2 HP 0.115000 1.0080 0 699 D 6 PET CG CAP 0.100000 12.0110 0 700 D 6 PET C1 CL 0.630000 12.0110 0 701 D 6 PET O11 OBL -0.520000 15.9990 0 702 D 6 PET O12 OSL -0.340000 15.9990 0 703 D 6 PET C3 CTL2 -0.050000 12.0110 0 704 D 6 PET H31 HAL2 0.090000 1.0080 0 705 D 6 PET H32 HAL2 0.090000 1.0080 0 706 D 6 PET CZ CAP 0.100000 12.0110 0 707 D 6 PET C2 CL 0.630000 12.0110 0 708 D 6 PET O21 OBL -0.520000 15.9990 0 709 D 6 PET O22 OSL -0.340000 15.9990 0 710 D 6 PET C4 CTL2 -0.050000 12.0110 0 711 D 6 PET H41 HAL2 0.090000 1.0080 0 712 D 6 PET H42 HAL2 0.090000 1.0080 0 713 D 7 PET CD1 CAP -0.115000 12.0110 0 714 D 7 PET HD1 HP 0.115000 1.0080 0 715 D 7 PET CE1 CAP -0.115000 12.0110 0 716 D 7 PET HE1 HP 0.115000 1.0080 0 717 D 7 PET CD2 CAP -0.115000 12.0110 0 718 D 7 PET HD2 HP 0.115000 1.0080 0 719 D 7 PET CE2 CAP -0.115000 12.0110 0 720 D 7 PET HE2 HP 0.115000 1.0080 0 721 D 7 PET CG CAP 0.100000 12.0110 0 722 D 7 PET C1 CL 0.630000 12.0110 0 723 D 7 PET O11 OBL -0.520000 15.9990 0 724 D 7 PET O12 OSL -0.340000 15.9990 0 725 D 7 PET C3 CTL2 -0.050000 12.0110 0 726 D 7 PET H31 HAL2 0.090000 1.0080 0 727 D 7 PET H32 HAL2 0.090000 1.0080 0 728 D 7 PET CZ CAP 0.100000 12.0110 0 729 D 7 PET C2 CL 0.630000 12.0110 0 730 D 7 PET O21 OBL -0.520000 15.9990 0 731 D 7 PET O22 OSL -0.340000 15.9990 0 732 D 7 PET C4 CTL2 -0.050000 12.0110 0 733 D 7 PET H41 HAL2 0.090000 1.0080 0 734 D 7 PET H42 HAL2 0.090000 1.0080 0 735 D 8 PET CD1 CAP -0.115000 12.0110 0 736 D 8 PET HD1 HP 0.115000 1.0080 0 737 D 8 PET CE1 CAP -0.115000 12.0110 0 738 D 8 PET HE1 HP 0.115000 1.0080 0 739 D 8 PET CD2 CAP -0.115000 12.0110 0 740 D 8 PET HD2 HP 0.115000 1.0080 0 741 D 8 PET CE2 CAP -0.115000 12.0110 0 742 D 8 PET HE2 HP 0.115000 1.0080 0 743 D 8 PET CG CAP 0.100000 12.0110 0 744 D 8 PET C1 CL 0.630000 12.0110 0 745 D 8 PET O11 OBL -0.520000 15.9990 0 746 D 8 PET O12 OSL -0.340000 15.9990 0 747 D 8 PET C3 CTL2 -0.050000 12.0110 0 748 D 8 PET H31 HAL2 0.090000 1.0080 0 749 D 8 PET H32 HAL2 0.090000 1.0080 0 750 D 8 PET CZ CAP 0.100000 12.0110 0 751 D 8 PET C2 CL 0.630000 12.0110 0 752 D 8 PET O21 OBL -0.520000 15.9990 0 753 D 8 PET O22 OSL -0.340000 15.9990 0 754 D 8 PET C4 CTL2 -0.050000 12.0110 0 755 D 8 PET H41 HAL2 0.090000 1.0080 0 756 D 8 PET H42 HAL2 0.090000 1.0080 0 757 D 9 PET C1 CD 0.750000 12.0110 0 758 D 9 PET O11 OB -0.550000 15.9990 0 759 D 9 PET O12 OH1 -0.610000 15.9990 0 760 D 9 PET CG CAP -0.030000 12.0110 0 761 D 9 PET H12 H 0.440000 1.0080 0 762 D 9 PET CD1 CAP -0.115000 12.0110 0 763 D 9 PET HD1 HP 0.115000 1.0080 0 764 D 9 PET CE1 CAP -0.115000 12.0110 0 765 D 9 PET HE1 HP 0.115000 1.0080 0 766 D 9 PET CD2 CAP -0.115000 12.0110 0 767 D 9 PET HD2 HP 0.115000 1.0080 0 768 D 9 PET CE2 CAP -0.115000 12.0110 0 769 D 9 PET HE2 HP 0.115000 1.0080 0 770 D 9 PET CZ CAP 0.100000 12.0110 0 771 D 9 PET C2 CL 0.630000 12.0110 0 772 D 9 PET O21 OBL -0.520000 15.9990 0 773 D 9 PET O22 OSL -0.340000 15.9990 0 774 D 9 PET C4 CTL2 -0.050000 12.0110 0 775 D 9 PET H41 HAL2 0.090000 1.0080 0 776 D 9 PET H42 HAL2 0.090000 1.0080 0 777 E 1 PET C2 CD 0.750000 12.0110 0 778 E 1 PET O21 OB -0.550000 15.9990 0 779 E 1 PET O22 OH1 -0.610000 15.9990 0 780 E 1 PET CZ CAP -0.030000 12.0110 0 781 E 1 PET H22 H 0.440000 1.0080 0 782 E 1 PET CD1 CAP -0.115000 12.0110 0 783 E 1 PET HD1 HP 0.115000 1.0080 0 784 E 1 PET CE1 CAP -0.115000 12.0110 0 785 E 1 PET HE1 HP 0.115000 1.0080 0 786 E 1 PET CD2 CAP -0.115000 12.0110 0 787 E 1 PET HD2 HP 0.115000 1.0080 0 788 E 1 PET CE2 CAP -0.115000 12.0110 0 789 E 1 PET HE2 HP 0.115000 1.0080 0 790 E 1 PET CG CAP 0.100000 12.0110 0 791 E 1 PET C1 CL 0.630000 12.0110 0 792 E 1 PET O11 OBL -0.520000 15.9990 0 793 E 1 PET O12 OSL -0.340000 15.9990 0 794 E 1 PET C3 CTL2 -0.050000 12.0110 0 795 E 1 PET H31 HAL2 0.090000 1.0080 0 796 E 1 PET H32 HAL2 0.090000 1.0080 0 797 E 2 PET CD1 CAP -0.115000 12.0110 0 798 E 2 PET HD1 HP 0.115000 1.0080 0 799 E 2 PET CE1 CAP -0.115000 12.0110 0 800 E 2 PET HE1 HP 0.115000 1.0080 0 801 E 2 PET CD2 CAP -0.115000 12.0110 0 802 E 2 PET HD2 HP 0.115000 1.0080 0 803 E 2 PET CE2 CAP -0.115000 12.0110 0 804 E 2 PET HE2 HP 0.115000 1.0080 0 805 E 2 PET CG CAP 0.100000 12.0110 0 806 E 2 PET C1 CL 0.630000 12.0110 0 807 E 2 PET O11 OBL -0.520000 15.9990 0 808 E 2 PET O12 OSL -0.340000 15.9990 0 809 E 2 PET C3 CTL2 -0.050000 12.0110 0 810 E 2 PET H31 HAL2 0.090000 1.0080 0 811 E 2 PET H32 HAL2 0.090000 1.0080 0 812 E 2 PET CZ CAP 0.100000 12.0110 0 813 E 2 PET C2 CL 0.630000 12.0110 0 814 E 2 PET O21 OBL -0.520000 15.9990 0 815 E 2 PET O22 OSL -0.340000 15.9990 0 816 E 2 PET C4 CTL2 -0.050000 12.0110 0 817 E 2 PET H41 HAL2 0.090000 1.0080 0 818 E 2 PET H42 HAL2 0.090000 1.0080 0 819 E 3 PET CD1 CAP -0.115000 12.0110 0 820 E 3 PET HD1 HP 0.115000 1.0080 0 821 E 3 PET CE1 CAP -0.115000 12.0110 0 822 E 3 PET HE1 HP 0.115000 1.0080 0 823 E 3 PET CD2 CAP -0.115000 12.0110 0 824 E 3 PET HD2 HP 0.115000 1.0080 0 825 E 3 PET CE2 CAP -0.115000 12.0110 0 826 E 3 PET HE2 HP 0.115000 1.0080 0 827 E 3 PET CG CAP 0.100000 12.0110 0 828 E 3 PET C1 CL 0.630000 12.0110 0 829 E 3 PET O11 OBL -0.520000 15.9990 0 830 E 3 PET O12 OSL -0.340000 15.9990 0 831 E 3 PET C3 CTL2 -0.050000 12.0110 0 832 E 3 PET H31 HAL2 0.090000 1.0080 0 833 E 3 PET H32 HAL2 0.090000 1.0080 0 834 E 3 PET CZ CAP 0.100000 12.0110 0 835 E 3 PET C2 CL 0.630000 12.0110 0 836 E 3 PET O21 OBL -0.520000 15.9990 0 837 E 3 PET O22 OSL -0.340000 15.9990 0 838 E 3 PET C4 CTL2 -0.050000 12.0110 0 839 E 3 PET H41 HAL2 0.090000 1.0080 0 840 E 3 PET H42 HAL2 0.090000 1.0080 0 841 E 4 PET CD1 CAP -0.115000 12.0110 0 842 E 4 PET HD1 HP 0.115000 1.0080 0 843 E 4 PET CE1 CAP -0.115000 12.0110 0 844 E 4 PET HE1 HP 0.115000 1.0080 0 845 E 4 PET CD2 CAP -0.115000 12.0110 0 846 E 4 PET HD2 HP 0.115000 1.0080 0 847 E 4 PET CE2 CAP -0.115000 12.0110 0 848 E 4 PET HE2 HP 0.115000 1.0080 0 849 E 4 PET CG CAP 0.100000 12.0110 0 850 E 4 PET C1 CL 0.630000 12.0110 0 851 E 4 PET O11 OBL -0.520000 15.9990 0 852 E 4 PET O12 OSL -0.340000 15.9990 0 853 E 4 PET C3 CTL2 -0.050000 12.0110 0 854 E 4 PET H31 HAL2 0.090000 1.0080 0 855 E 4 PET H32 HAL2 0.090000 1.0080 0 856 E 4 PET CZ CAP 0.100000 12.0110 0 857 E 4 PET C2 CL 0.630000 12.0110 0 858 E 4 PET O21 OBL -0.520000 15.9990 0 859 E 4 PET O22 OSL -0.340000 15.9990 0 860 E 4 PET C4 CTL2 -0.050000 12.0110 0 861 E 4 PET H41 HAL2 0.090000 1.0080 0 862 E 4 PET H42 HAL2 0.090000 1.0080 0 863 E 5 PET CD1 CAP -0.115000 12.0110 0 864 E 5 PET HD1 HP 0.115000 1.0080 0 865 E 5 PET CE1 CAP -0.115000 12.0110 0 866 E 5 PET HE1 HP 0.115000 1.0080 0 867 E 5 PET CD2 CAP -0.115000 12.0110 0 868 E 5 PET HD2 HP 0.115000 1.0080 0 869 E 5 PET CE2 CAP -0.115000 12.0110 0 870 E 5 PET HE2 HP 0.115000 1.0080 0 871 E 5 PET CG CAP 0.100000 12.0110 0 872 E 5 PET C1 CL 0.630000 12.0110 0 873 E 5 PET O11 OBL -0.520000 15.9990 0 874 E 5 PET O12 OSL -0.340000 15.9990 0 875 E 5 PET C3 CTL2 -0.050000 12.0110 0 876 E 5 PET H31 HAL2 0.090000 1.0080 0 877 E 5 PET H32 HAL2 0.090000 1.0080 0 878 E 5 PET CZ CAP 0.100000 12.0110 0 879 E 5 PET C2 CL 0.630000 12.0110 0 880 E 5 PET O21 OBL -0.520000 15.9990 0 881 E 5 PET O22 OSL -0.340000 15.9990 0 882 E 5 PET C4 CTL2 -0.050000 12.0110 0 883 E 5 PET H41 HAL2 0.090000 1.0080 0 884 E 5 PET H42 HAL2 0.090000 1.0080 0 885 E 6 PET CD1 CAP -0.115000 12.0110 0 886 E 6 PET HD1 HP 0.115000 1.0080 0 887 E 6 PET CE1 CAP -0.115000 12.0110 0 888 E 6 PET HE1 HP 0.115000 1.0080 0 889 E 6 PET CD2 CAP -0.115000 12.0110 0 890 E 6 PET HD2 HP 0.115000 1.0080 0 891 E 6 PET CE2 CAP -0.115000 12.0110 0 892 E 6 PET HE2 HP 0.115000 1.0080 0 893 E 6 PET CG CAP 0.100000 12.0110 0 894 E 6 PET C1 CL 0.630000 12.0110 0 895 E 6 PET O11 OBL -0.520000 15.9990 0 896 E 6 PET O12 OSL -0.340000 15.9990 0 897 E 6 PET C3 CTL2 -0.050000 12.0110 0 898 E 6 PET H31 HAL2 0.090000 1.0080 0 899 E 6 PET H32 HAL2 0.090000 1.0080 0 900 E 6 PET CZ CAP 0.100000 12.0110 0 901 E 6 PET C2 CL 0.630000 12.0110 0 902 E 6 PET O21 OBL -0.520000 15.9990 0 903 E 6 PET O22 OSL -0.340000 15.9990 0 904 E 6 PET C4 CTL2 -0.050000 12.0110 0 905 E 6 PET H41 HAL2 0.090000 1.0080 0 906 E 6 PET H42 HAL2 0.090000 1.0080 0 907 E 7 PET CD1 CAP -0.115000 12.0110 0 908 E 7 PET HD1 HP 0.115000 1.0080 0 909 E 7 PET CE1 CAP -0.115000 12.0110 0 910 E 7 PET HE1 HP 0.115000 1.0080 0 911 E 7 PET CD2 CAP -0.115000 12.0110 0 912 E 7 PET HD2 HP 0.115000 1.0080 0 913 E 7 PET CE2 CAP -0.115000 12.0110 0 914 E 7 PET HE2 HP 0.115000 1.0080 0 915 E 7 PET CG CAP 0.100000 12.0110 0 916 E 7 PET C1 CL 0.630000 12.0110 0 917 E 7 PET O11 OBL -0.520000 15.9990 0 918 E 7 PET O12 OSL -0.340000 15.9990 0 919 E 7 PET C3 CTL2 -0.050000 12.0110 0 920 E 7 PET H31 HAL2 0.090000 1.0080 0 921 E 7 PET H32 HAL2 0.090000 1.0080 0 922 E 7 PET CZ CAP 0.100000 12.0110 0 923 E 7 PET C2 CL 0.630000 12.0110 0 924 E 7 PET O21 OBL -0.520000 15.9990 0 925 E 7 PET O22 OSL -0.340000 15.9990 0 926 E 7 PET C4 CTL2 -0.050000 12.0110 0 927 E 7 PET H41 HAL2 0.090000 1.0080 0 928 E 7 PET H42 HAL2 0.090000 1.0080 0 929 E 8 PET CD1 CAP -0.115000 12.0110 0 930 E 8 PET HD1 HP 0.115000 1.0080 0 931 E 8 PET CE1 CAP -0.115000 12.0110 0 932 E 8 PET HE1 HP 0.115000 1.0080 0 933 E 8 PET CD2 CAP -0.115000 12.0110 0 934 E 8 PET HD2 HP 0.115000 1.0080 0 935 E 8 PET CE2 CAP -0.115000 12.0110 0 936 E 8 PET HE2 HP 0.115000 1.0080 0 937 E 8 PET CG CAP 0.100000 12.0110 0 938 E 8 PET C1 CL 0.630000 12.0110 0 939 E 8 PET O11 OBL -0.520000 15.9990 0 940 E 8 PET O12 OSL -0.340000 15.9990 0 941 E 8 PET C3 CTL2 -0.050000 12.0110 0 942 E 8 PET H31 HAL2 0.090000 1.0080 0 943 E 8 PET H32 HAL2 0.090000 1.0080 0 944 E 8 PET CZ CAP 0.100000 12.0110 0 945 E 8 PET C2 CL 0.630000 12.0110 0 946 E 8 PET O21 OBL -0.520000 15.9990 0 947 E 8 PET O22 OSL -0.340000 15.9990 0 948 E 8 PET C4 CTL2 -0.050000 12.0110 0 949 E 8 PET H41 HAL2 0.090000 1.0080 0 950 E 8 PET H42 HAL2 0.090000 1.0080 0 951 E 9 PET C1 CD 0.750000 12.0110 0 952 E 9 PET O11 OB -0.550000 15.9990 0 953 E 9 PET O12 OH1 -0.610000 15.9990 0 954 E 9 PET CG CAP -0.030000 12.0110 0 955 E 9 PET H12 H 0.440000 1.0080 0 956 E 9 PET CD1 CAP -0.115000 12.0110 0 957 E 9 PET HD1 HP 0.115000 1.0080 0 958 E 9 PET CE1 CAP -0.115000 12.0110 0 959 E 9 PET HE1 HP 0.115000 1.0080 0 960 E 9 PET CD2 CAP -0.115000 12.0110 0 961 E 9 PET HD2 HP 0.115000 1.0080 0 962 E 9 PET CE2 CAP -0.115000 12.0110 0 963 E 9 PET HE2 HP 0.115000 1.0080 0 964 E 9 PET CZ CAP 0.100000 12.0110 0 965 E 9 PET C2 CL 0.630000 12.0110 0 966 E 9 PET O21 OBL -0.520000 15.9990 0 967 E 9 PET O22 OSL -0.340000 15.9990 0 968 E 9 PET C4 CTL2 -0.050000 12.0110 0 969 E 9 PET H41 HAL2 0.090000 1.0080 0 970 E 9 PET H42 HAL2 0.090000 1.0080 0 971 F 1 PET C2 CD 0.750000 12.0110 0 972 F 1 PET O21 OB -0.550000 15.9990 0 973 F 1 PET O22 OH1 -0.610000 15.9990 0 974 F 1 PET CZ CAP -0.030000 12.0110 0 975 F 1 PET H22 H 0.440000 1.0080 0 976 F 1 PET CD1 CAP -0.115000 12.0110 0 977 F 1 PET HD1 HP 0.115000 1.0080 0 978 F 1 PET CE1 CAP -0.115000 12.0110 0 979 F 1 PET HE1 HP 0.115000 1.0080 0 980 F 1 PET CD2 CAP -0.115000 12.0110 0 981 F 1 PET HD2 HP 0.115000 1.0080 0 982 F 1 PET CE2 CAP -0.115000 12.0110 0 983 F 1 PET HE2 HP 0.115000 1.0080 0 984 F 1 PET CG CAP 0.100000 12.0110 0 985 F 1 PET C1 CL 0.630000 12.0110 0 986 F 1 PET O11 OBL -0.520000 15.9990 0 987 F 1 PET O12 OSL -0.340000 15.9990 0 988 F 1 PET C3 CTL2 -0.050000 12.0110 0 989 F 1 PET H31 HAL2 0.090000 1.0080 0 990 F 1 PET H32 HAL2 0.090000 1.0080 0 991 F 2 PET CD1 CAP -0.115000 12.0110 0 992 F 2 PET HD1 HP 0.115000 1.0080 0 993 F 2 PET CE1 CAP -0.115000 12.0110 0 994 F 2 PET HE1 HP 0.115000 1.0080 0 995 F 2 PET CD2 CAP -0.115000 12.0110 0 996 F 2 PET HD2 HP 0.115000 1.0080 0 997 F 2 PET CE2 CAP -0.115000 12.0110 0 998 F 2 PET HE2 HP 0.115000 1.0080 0 999 F 2 PET CG CAP 0.100000 12.0110 0 1000 F 2 PET C1 CL 0.630000 12.0110 0 1001 F 2 PET O11 OBL -0.520000 15.9990 0 1002 F 2 PET O12 OSL -0.340000 15.9990 0 1003 F 2 PET C3 CTL2 -0.050000 12.0110 0 1004 F 2 PET H31 HAL2 0.090000 1.0080 0 1005 F 2 PET H32 HAL2 0.090000 1.0080 0 1006 F 2 PET CZ CAP 0.100000 12.0110 0 1007 F 2 PET C2 CL 0.630000 12.0110 0 1008 F 2 PET O21 OBL -0.520000 15.9990 0 1009 F 2 PET O22 OSL -0.340000 15.9990 0 1010 F 2 PET C4 CTL2 -0.050000 12.0110 0 1011 F 2 PET H41 HAL2 0.090000 1.0080 0 1012 F 2 PET H42 HAL2 0.090000 1.0080 0 1013 F 3 PET CD1 CAP -0.115000 12.0110 0 1014 F 3 PET HD1 HP 0.115000 1.0080 0 1015 F 3 PET CE1 CAP -0.115000 12.0110 0 1016 F 3 PET HE1 HP 0.115000 1.0080 0 1017 F 3 PET CD2 CAP -0.115000 12.0110 0 1018 F 3 PET HD2 HP 0.115000 1.0080 0 1019 F 3 PET CE2 CAP -0.115000 12.0110 0 1020 F 3 PET HE2 HP 0.115000 1.0080 0 1021 F 3 PET CG CAP 0.100000 12.0110 0 1022 F 3 PET C1 CL 0.630000 12.0110 0 1023 F 3 PET O11 OBL -0.520000 15.9990 0 1024 F 3 PET O12 OSL -0.340000 15.9990 0 1025 F 3 PET C3 CTL2 -0.050000 12.0110 0 1026 F 3 PET H31 HAL2 0.090000 1.0080 0 1027 F 3 PET H32 HAL2 0.090000 1.0080 0 1028 F 3 PET CZ CAP 0.100000 12.0110 0 1029 F 3 PET C2 CL 0.630000 12.0110 0 1030 F 3 PET O21 OBL -0.520000 15.9990 0 1031 F 3 PET O22 OSL -0.340000 15.9990 0 1032 F 3 PET C4 CTL2 -0.050000 12.0110 0 1033 F 3 PET H41 HAL2 0.090000 1.0080 0 1034 F 3 PET H42 HAL2 0.090000 1.0080 0 1035 F 4 PET CD1 CAP -0.115000 12.0110 0 1036 F 4 PET HD1 HP 0.115000 1.0080 0 1037 F 4 PET CE1 CAP -0.115000 12.0110 0 1038 F 4 PET HE1 HP 0.115000 1.0080 0 1039 F 4 PET CD2 CAP -0.115000 12.0110 0 1040 F 4 PET HD2 HP 0.115000 1.0080 0 1041 F 4 PET CE2 CAP -0.115000 12.0110 0 1042 F 4 PET HE2 HP 0.115000 1.0080 0 1043 F 4 PET CG CAP 0.100000 12.0110 0 1044 F 4 PET C1 CL 0.630000 12.0110 0 1045 F 4 PET O11 OBL -0.520000 15.9990 0 1046 F 4 PET O12 OSL -0.340000 15.9990 0 1047 F 4 PET C3 CTL2 -0.050000 12.0110 0 1048 F 4 PET H31 HAL2 0.090000 1.0080 0 1049 F 4 PET H32 HAL2 0.090000 1.0080 0 1050 F 4 PET CZ CAP 0.100000 12.0110 0 1051 F 4 PET C2 CL 0.630000 12.0110 0 1052 F 4 PET O21 OBL -0.520000 15.9990 0 1053 F 4 PET O22 OSL -0.340000 15.9990 0 1054 F 4 PET C4 CTL2 -0.050000 12.0110 0 1055 F 4 PET H41 HAL2 0.090000 1.0080 0 1056 F 4 PET H42 HAL2 0.090000 1.0080 0 1057 F 5 PET CD1 CAP -0.115000 12.0110 0 1058 F 5 PET HD1 HP 0.115000 1.0080 0 1059 F 5 PET CE1 CAP -0.115000 12.0110 0 1060 F 5 PET HE1 HP 0.115000 1.0080 0 1061 F 5 PET CD2 CAP -0.115000 12.0110 0 1062 F 5 PET HD2 HP 0.115000 1.0080 0 1063 F 5 PET CE2 CAP -0.115000 12.0110 0 1064 F 5 PET HE2 HP 0.115000 1.0080 0 1065 F 5 PET CG CAP 0.100000 12.0110 0 1066 F 5 PET C1 CL 0.630000 12.0110 0 1067 F 5 PET O11 OBL -0.520000 15.9990 0 1068 F 5 PET O12 OSL -0.340000 15.9990 0 1069 F 5 PET C3 CTL2 -0.050000 12.0110 0 1070 F 5 PET H31 HAL2 0.090000 1.0080 0 1071 F 5 PET H32 HAL2 0.090000 1.0080 0 1072 F 5 PET CZ CAP 0.100000 12.0110 0 1073 F 5 PET C2 CL 0.630000 12.0110 0 1074 F 5 PET O21 OBL -0.520000 15.9990 0 1075 F 5 PET O22 OSL -0.340000 15.9990 0 1076 F 5 PET C4 CTL2 -0.050000 12.0110 0 1077 F 5 PET H41 HAL2 0.090000 1.0080 0 1078 F 5 PET H42 HAL2 0.090000 1.0080 0 1079 F 6 PET CD1 CAP -0.115000 12.0110 0 1080 F 6 PET HD1 HP 0.115000 1.0080 0 1081 F 6 PET CE1 CAP -0.115000 12.0110 0 1082 F 6 PET HE1 HP 0.115000 1.0080 0 1083 F 6 PET CD2 CAP -0.115000 12.0110 0 1084 F 6 PET HD2 HP 0.115000 1.0080 0 1085 F 6 PET CE2 CAP -0.115000 12.0110 0 1086 F 6 PET HE2 HP 0.115000 1.0080 0 1087 F 6 PET CG CAP 0.100000 12.0110 0 1088 F 6 PET C1 CL 0.630000 12.0110 0 1089 F 6 PET O11 OBL -0.520000 15.9990 0 1090 F 6 PET O12 OSL -0.340000 15.9990 0 1091 F 6 PET C3 CTL2 -0.050000 12.0110 0 1092 F 6 PET H31 HAL2 0.090000 1.0080 0 1093 F 6 PET H32 HAL2 0.090000 1.0080 0 1094 F 6 PET CZ CAP 0.100000 12.0110 0 1095 F 6 PET C2 CL 0.630000 12.0110 0 1096 F 6 PET O21 OBL -0.520000 15.9990 0 1097 F 6 PET O22 OSL -0.340000 15.9990 0 1098 F 6 PET C4 CTL2 -0.050000 12.0110 0 1099 F 6 PET H41 HAL2 0.090000 1.0080 0 1100 F 6 PET H42 HAL2 0.090000 1.0080 0 1101 F 7 PET CD1 CAP -0.115000 12.0110 0 1102 F 7 PET HD1 HP 0.115000 1.0080 0 1103 F 7 PET CE1 CAP -0.115000 12.0110 0 1104 F 7 PET HE1 HP 0.115000 1.0080 0 1105 F 7 PET CD2 CAP -0.115000 12.0110 0 1106 F 7 PET HD2 HP 0.115000 1.0080 0 1107 F 7 PET CE2 CAP -0.115000 12.0110 0 1108 F 7 PET HE2 HP 0.115000 1.0080 0 1109 F 7 PET CG CAP 0.100000 12.0110 0 1110 F 7 PET C1 CL 0.630000 12.0110 0 1111 F 7 PET O11 OBL -0.520000 15.9990 0 1112 F 7 PET O12 OSL -0.340000 15.9990 0 1113 F 7 PET C3 CTL2 -0.050000 12.0110 0 1114 F 7 PET H31 HAL2 0.090000 1.0080 0 1115 F 7 PET H32 HAL2 0.090000 1.0080 0 1116 F 7 PET CZ CAP 0.100000 12.0110 0 1117 F 7 PET C2 CL 0.630000 12.0110 0 1118 F 7 PET O21 OBL -0.520000 15.9990 0 1119 F 7 PET O22 OSL -0.340000 15.9990 0 1120 F 7 PET C4 CTL2 -0.050000 12.0110 0 1121 F 7 PET H41 HAL2 0.090000 1.0080 0 1122 F 7 PET H42 HAL2 0.090000 1.0080 0 1123 F 8 PET CD1 CAP -0.115000 12.0110 0 1124 F 8 PET HD1 HP 0.115000 1.0080 0 1125 F 8 PET CE1 CAP -0.115000 12.0110 0 1126 F 8 PET HE1 HP 0.115000 1.0080 0 1127 F 8 PET CD2 CAP -0.115000 12.0110 0 1128 F 8 PET HD2 HP 0.115000 1.0080 0 1129 F 8 PET CE2 CAP -0.115000 12.0110 0 1130 F 8 PET HE2 HP 0.115000 1.0080 0 1131 F 8 PET CG CAP 0.100000 12.0110 0 1132 F 8 PET C1 CL 0.630000 12.0110 0 1133 F 8 PET O11 OBL -0.520000 15.9990 0 1134 F 8 PET O12 OSL -0.340000 15.9990 0 1135 F 8 PET C3 CTL2 -0.050000 12.0110 0 1136 F 8 PET H31 HAL2 0.090000 1.0080 0 1137 F 8 PET H32 HAL2 0.090000 1.0080 0 1138 F 8 PET CZ CAP 0.100000 12.0110 0 1139 F 8 PET C2 CL 0.630000 12.0110 0 1140 F 8 PET O21 OBL -0.520000 15.9990 0 1141 F 8 PET O22 OSL -0.340000 15.9990 0 1142 F 8 PET C4 CTL2 -0.050000 12.0110 0 1143 F 8 PET H41 HAL2 0.090000 1.0080 0 1144 F 8 PET H42 HAL2 0.090000 1.0080 0 1145 F 9 PET C1 CD 0.750000 12.0110 0 1146 F 9 PET O11 OB -0.550000 15.9990 0 1147 F 9 PET O12 OH1 -0.610000 15.9990 0 1148 F 9 PET CG CAP -0.030000 12.0110 0 1149 F 9 PET H12 H 0.440000 1.0080 0 1150 F 9 PET CD1 CAP -0.115000 12.0110 0 1151 F 9 PET HD1 HP 0.115000 1.0080 0 1152 F 9 PET CE1 CAP -0.115000 12.0110 0 1153 F 9 PET HE1 HP 0.115000 1.0080 0 1154 F 9 PET CD2 CAP -0.115000 12.0110 0 1155 F 9 PET HD2 HP 0.115000 1.0080 0 1156 F 9 PET CE2 CAP -0.115000 12.0110 0 1157 F 9 PET HE2 HP 0.115000 1.0080 0 1158 F 9 PET CZ CAP 0.100000 12.0110 0 1159 F 9 PET C2 CL 0.630000 12.0110 0 1160 F 9 PET O21 OBL -0.520000 15.9990 0 1161 F 9 PET O22 OSL -0.340000 15.9990 0 1162 F 9 PET C4 CTL2 -0.050000 12.0110 0 1163 F 9 PET H41 HAL2 0.090000 1.0080 0 1164 F 9 PET H42 HAL2 0.090000 1.0080 0 1165 G 1 PET C2 CD 0.750000 12.0110 0 1166 G 1 PET O21 OB -0.550000 15.9990 0 1167 G 1 PET O22 OH1 -0.610000 15.9990 0 1168 G 1 PET CZ CAP -0.030000 12.0110 0 1169 G 1 PET H22 H 0.440000 1.0080 0 1170 G 1 PET CD1 CAP -0.115000 12.0110 0 1171 G 1 PET HD1 HP 0.115000 1.0080 0 1172 G 1 PET CE1 CAP -0.115000 12.0110 0 1173 G 1 PET HE1 HP 0.115000 1.0080 0 1174 G 1 PET CD2 CAP -0.115000 12.0110 0 1175 G 1 PET HD2 HP 0.115000 1.0080 0 1176 G 1 PET CE2 CAP -0.115000 12.0110 0 1177 G 1 PET HE2 HP 0.115000 1.0080 0 1178 G 1 PET CG CAP 0.100000 12.0110 0 1179 G 1 PET C1 CL 0.630000 12.0110 0 1180 G 1 PET O11 OBL -0.520000 15.9990 0 1181 G 1 PET O12 OSL -0.340000 15.9990 0 1182 G 1 PET C3 CTL2 -0.050000 12.0110 0 1183 G 1 PET H31 HAL2 0.090000 1.0080 0 1184 G 1 PET H32 HAL2 0.090000 1.0080 0 1185 G 2 PET CD1 CAP -0.115000 12.0110 0 1186 G 2 PET HD1 HP 0.115000 1.0080 0 1187 G 2 PET CE1 CAP -0.115000 12.0110 0 1188 G 2 PET HE1 HP 0.115000 1.0080 0 1189 G 2 PET CD2 CAP -0.115000 12.0110 0 1190 G 2 PET HD2 HP 0.115000 1.0080 0 1191 G 2 PET CE2 CAP -0.115000 12.0110 0 1192 G 2 PET HE2 HP 0.115000 1.0080 0 1193 G 2 PET CG CAP 0.100000 12.0110 0 1194 G 2 PET C1 CL 0.630000 12.0110 0 1195 G 2 PET O11 OBL -0.520000 15.9990 0 1196 G 2 PET O12 OSL -0.340000 15.9990 0 1197 G 2 PET C3 CTL2 -0.050000 12.0110 0 1198 G 2 PET H31 HAL2 0.090000 1.0080 0 1199 G 2 PET H32 HAL2 0.090000 1.0080 0 1200 G 2 PET CZ CAP 0.100000 12.0110 0 1201 G 2 PET C2 CL 0.630000 12.0110 0 1202 G 2 PET O21 OBL -0.520000 15.9990 0 1203 G 2 PET O22 OSL -0.340000 15.9990 0 1204 G 2 PET C4 CTL2 -0.050000 12.0110 0 1205 G 2 PET H41 HAL2 0.090000 1.0080 0 1206 G 2 PET H42 HAL2 0.090000 1.0080 0 1207 G 3 PET CD1 CAP -0.115000 12.0110 0 1208 G 3 PET HD1 HP 0.115000 1.0080 0 1209 G 3 PET CE1 CAP -0.115000 12.0110 0 1210 G 3 PET HE1 HP 0.115000 1.0080 0 1211 G 3 PET CD2 CAP -0.115000 12.0110 0 1212 G 3 PET HD2 HP 0.115000 1.0080 0 1213 G 3 PET CE2 CAP -0.115000 12.0110 0 1214 G 3 PET HE2 HP 0.115000 1.0080 0 1215 G 3 PET CG CAP 0.100000 12.0110 0 1216 G 3 PET C1 CL 0.630000 12.0110 0 1217 G 3 PET O11 OBL -0.520000 15.9990 0 1218 G 3 PET O12 OSL -0.340000 15.9990 0 1219 G 3 PET C3 CTL2 -0.050000 12.0110 0 1220 G 3 PET H31 HAL2 0.090000 1.0080 0 1221 G 3 PET H32 HAL2 0.090000 1.0080 0 1222 G 3 PET CZ CAP 0.100000 12.0110 0 1223 G 3 PET C2 CL 0.630000 12.0110 0 1224 G 3 PET O21 OBL -0.520000 15.9990 0 1225 G 3 PET O22 OSL -0.340000 15.9990 0 1226 G 3 PET C4 CTL2 -0.050000 12.0110 0 1227 G 3 PET H41 HAL2 0.090000 1.0080 0 1228 G 3 PET H42 HAL2 0.090000 1.0080 0 1229 G 4 PET CD1 CAP -0.115000 12.0110 0 1230 G 4 PET HD1 HP 0.115000 1.0080 0 1231 G 4 PET CE1 CAP -0.115000 12.0110 0 1232 G 4 PET HE1 HP 0.115000 1.0080 0 1233 G 4 PET CD2 CAP -0.115000 12.0110 0 1234 G 4 PET HD2 HP 0.115000 1.0080 0 1235 G 4 PET CE2 CAP -0.115000 12.0110 0 1236 G 4 PET HE2 HP 0.115000 1.0080 0 1237 G 4 PET CG CAP 0.100000 12.0110 0 1238 G 4 PET C1 CL 0.630000 12.0110 0 1239 G 4 PET O11 OBL -0.520000 15.9990 0 1240 G 4 PET O12 OSL -0.340000 15.9990 0 1241 G 4 PET C3 CTL2 -0.050000 12.0110 0 1242 G 4 PET H31 HAL2 0.090000 1.0080 0 1243 G 4 PET H32 HAL2 0.090000 1.0080 0 1244 G 4 PET CZ CAP 0.100000 12.0110 0 1245 G 4 PET C2 CL 0.630000 12.0110 0 1246 G 4 PET O21 OBL -0.520000 15.9990 0 1247 G 4 PET O22 OSL -0.340000 15.9990 0 1248 G 4 PET C4 CTL2 -0.050000 12.0110 0 1249 G 4 PET H41 HAL2 0.090000 1.0080 0 1250 G 4 PET H42 HAL2 0.090000 1.0080 0 1251 G 5 PET CD1 CAP -0.115000 12.0110 0 1252 G 5 PET HD1 HP 0.115000 1.0080 0 1253 G 5 PET CE1 CAP -0.115000 12.0110 0 1254 G 5 PET HE1 HP 0.115000 1.0080 0 1255 G 5 PET CD2 CAP -0.115000 12.0110 0 1256 G 5 PET HD2 HP 0.115000 1.0080 0 1257 G 5 PET CE2 CAP -0.115000 12.0110 0 1258 G 5 PET HE2 HP 0.115000 1.0080 0 1259 G 5 PET CG CAP 0.100000 12.0110 0 1260 G 5 PET C1 CL 0.630000 12.0110 0 1261 G 5 PET O11 OBL -0.520000 15.9990 0 1262 G 5 PET O12 OSL -0.340000 15.9990 0 1263 G 5 PET C3 CTL2 -0.050000 12.0110 0 1264 G 5 PET H31 HAL2 0.090000 1.0080 0 1265 G 5 PET H32 HAL2 0.090000 1.0080 0 1266 G 5 PET CZ CAP 0.100000 12.0110 0 1267 G 5 PET C2 CL 0.630000 12.0110 0 1268 G 5 PET O21 OBL -0.520000 15.9990 0 1269 G 5 PET O22 OSL -0.340000 15.9990 0 1270 G 5 PET C4 CTL2 -0.050000 12.0110 0 1271 G 5 PET H41 HAL2 0.090000 1.0080 0 1272 G 5 PET H42 HAL2 0.090000 1.0080 0 1273 G 6 PET CD1 CAP -0.115000 12.0110 0 1274 G 6 PET HD1 HP 0.115000 1.0080 0 1275 G 6 PET CE1 CAP -0.115000 12.0110 0 1276 G 6 PET HE1 HP 0.115000 1.0080 0 1277 G 6 PET CD2 CAP -0.115000 12.0110 0 1278 G 6 PET HD2 HP 0.115000 1.0080 0 1279 G 6 PET CE2 CAP -0.115000 12.0110 0 1280 G 6 PET HE2 HP 0.115000 1.0080 0 1281 G 6 PET CG CAP 0.100000 12.0110 0 1282 G 6 PET C1 CL 0.630000 12.0110 0 1283 G 6 PET O11 OBL -0.520000 15.9990 0 1284 G 6 PET O12 OSL -0.340000 15.9990 0 1285 G 6 PET C3 CTL2 -0.050000 12.0110 0 1286 G 6 PET H31 HAL2 0.090000 1.0080 0 1287 G 6 PET H32 HAL2 0.090000 1.0080 0 1288 G 6 PET CZ CAP 0.100000 12.0110 0 1289 G 6 PET C2 CL 0.630000 12.0110 0 1290 G 6 PET O21 OBL -0.520000 15.9990 0 1291 G 6 PET O22 OSL -0.340000 15.9990 0 1292 G 6 PET C4 CTL2 -0.050000 12.0110 0 1293 G 6 PET H41 HAL2 0.090000 1.0080 0 1294 G 6 PET H42 HAL2 0.090000 1.0080 0 1295 G 7 PET CD1 CAP -0.115000 12.0110 0 1296 G 7 PET HD1 HP 0.115000 1.0080 0 1297 G 7 PET CE1 CAP -0.115000 12.0110 0 1298 G 7 PET HE1 HP 0.115000 1.0080 0 1299 G 7 PET CD2 CAP -0.115000 12.0110 0 1300 G 7 PET HD2 HP 0.115000 1.0080 0 1301 G 7 PET CE2 CAP -0.115000 12.0110 0 1302 G 7 PET HE2 HP 0.115000 1.0080 0 1303 G 7 PET CG CAP 0.100000 12.0110 0 1304 G 7 PET C1 CL 0.630000 12.0110 0 1305 G 7 PET O11 OBL -0.520000 15.9990 0 1306 G 7 PET O12 OSL -0.340000 15.9990 0 1307 G 7 PET C3 CTL2 -0.050000 12.0110 0 1308 G 7 PET H31 HAL2 0.090000 1.0080 0 1309 G 7 PET H32 HAL2 0.090000 1.0080 0 1310 G 7 PET CZ CAP 0.100000 12.0110 0 1311 G 7 PET C2 CL 0.630000 12.0110 0 1312 G 7 PET O21 OBL -0.520000 15.9990 0 1313 G 7 PET O22 OSL -0.340000 15.9990 0 1314 G 7 PET C4 CTL2 -0.050000 12.0110 0 1315 G 7 PET H41 HAL2 0.090000 1.0080 0 1316 G 7 PET H42 HAL2 0.090000 1.0080 0 1317 G 8 PET CD1 CAP -0.115000 12.0110 0 1318 G 8 PET HD1 HP 0.115000 1.0080 0 1319 G 8 PET CE1 CAP -0.115000 12.0110 0 1320 G 8 PET HE1 HP 0.115000 1.0080 0 1321 G 8 PET CD2 CAP -0.115000 12.0110 0 1322 G 8 PET HD2 HP 0.115000 1.0080 0 1323 G 8 PET CE2 CAP -0.115000 12.0110 0 1324 G 8 PET HE2 HP 0.115000 1.0080 0 1325 G 8 PET CG CAP 0.100000 12.0110 0 1326 G 8 PET C1 CL 0.630000 12.0110 0 1327 G 8 PET O11 OBL -0.520000 15.9990 0 1328 G 8 PET O12 OSL -0.340000 15.9990 0 1329 G 8 PET C3 CTL2 -0.050000 12.0110 0 1330 G 8 PET H31 HAL2 0.090000 1.0080 0 1331 G 8 PET H32 HAL2 0.090000 1.0080 0 1332 G 8 PET CZ CAP 0.100000 12.0110 0 1333 G 8 PET C2 CL 0.630000 12.0110 0 1334 G 8 PET O21 OBL -0.520000 15.9990 0 1335 G 8 PET O22 OSL -0.340000 15.9990 0 1336 G 8 PET C4 CTL2 -0.050000 12.0110 0 1337 G 8 PET H41 HAL2 0.090000 1.0080 0 1338 G 8 PET H42 HAL2 0.090000 1.0080 0 1339 G 9 PET C1 CD 0.750000 12.0110 0 1340 G 9 PET O11 OB -0.550000 15.9990 0 1341 G 9 PET O12 OH1 -0.610000 15.9990 0 1342 G 9 PET CG CAP -0.030000 12.0110 0 1343 G 9 PET H12 H 0.440000 1.0080 0 1344 G 9 PET CD1 CAP -0.115000 12.0110 0 1345 G 9 PET HD1 HP 0.115000 1.0080 0 1346 G 9 PET CE1 CAP -0.115000 12.0110 0 1347 G 9 PET HE1 HP 0.115000 1.0080 0 1348 G 9 PET CD2 CAP -0.115000 12.0110 0 1349 G 9 PET HD2 HP 0.115000 1.0080 0 1350 G 9 PET CE2 CAP -0.115000 12.0110 0 1351 G 9 PET HE2 HP 0.115000 1.0080 0 1352 G 9 PET CZ CAP 0.100000 12.0110 0 1353 G 9 PET C2 CL 0.630000 12.0110 0 1354 G 9 PET O21 OBL -0.520000 15.9990 0 1355 G 9 PET O22 OSL -0.340000 15.9990 0 1356 G 9 PET C4 CTL2 -0.050000 12.0110 0 1357 G 9 PET H41 HAL2 0.090000 1.0080 0 1358 G 9 PET H42 HAL2 0.090000 1.0080 0 1359 H 1 PET C2 CD 0.750000 12.0110 0 1360 H 1 PET O21 OB -0.550000 15.9990 0 1361 H 1 PET O22 OH1 -0.610000 15.9990 0 1362 H 1 PET CZ CAP -0.030000 12.0110 0 1363 H 1 PET H22 H 0.440000 1.0080 0 1364 H 1 PET CD1 CAP -0.115000 12.0110 0 1365 H 1 PET HD1 HP 0.115000 1.0080 0 1366 H 1 PET CE1 CAP -0.115000 12.0110 0 1367 H 1 PET HE1 HP 0.115000 1.0080 0 1368 H 1 PET CD2 CAP -0.115000 12.0110 0 1369 H 1 PET HD2 HP 0.115000 1.0080 0 1370 H 1 PET CE2 CAP -0.115000 12.0110 0 1371 H 1 PET HE2 HP 0.115000 1.0080 0 1372 H 1 PET CG CAP 0.100000 12.0110 0 1373 H 1 PET C1 CL 0.630000 12.0110 0 1374 H 1 PET O11 OBL -0.520000 15.9990 0 1375 H 1 PET O12 OSL -0.340000 15.9990 0 1376 H 1 PET C3 CTL2 -0.050000 12.0110 0 1377 H 1 PET H31 HAL2 0.090000 1.0080 0 1378 H 1 PET H32 HAL2 0.090000 1.0080 0 1379 H 2 PET CD1 CAP -0.115000 12.0110 0 1380 H 2 PET HD1 HP 0.115000 1.0080 0 1381 H 2 PET CE1 CAP -0.115000 12.0110 0 1382 H 2 PET HE1 HP 0.115000 1.0080 0 1383 H 2 PET CD2 CAP -0.115000 12.0110 0 1384 H 2 PET HD2 HP 0.115000 1.0080 0 1385 H 2 PET CE2 CAP -0.115000 12.0110 0 1386 H 2 PET HE2 HP 0.115000 1.0080 0 1387 H 2 PET CG CAP 0.100000 12.0110 0 1388 H 2 PET C1 CL 0.630000 12.0110 0 1389 H 2 PET O11 OBL -0.520000 15.9990 0 1390 H 2 PET O12 OSL -0.340000 15.9990 0 1391 H 2 PET C3 CTL2 -0.050000 12.0110 0 1392 H 2 PET H31 HAL2 0.090000 1.0080 0 1393 H 2 PET H32 HAL2 0.090000 1.0080 0 1394 H 2 PET CZ CAP 0.100000 12.0110 0 1395 H 2 PET C2 CL 0.630000 12.0110 0 1396 H 2 PET O21 OBL -0.520000 15.9990 0 1397 H 2 PET O22 OSL -0.340000 15.9990 0 1398 H 2 PET C4 CTL2 -0.050000 12.0110 0 1399 H 2 PET H41 HAL2 0.090000 1.0080 0 1400 H 2 PET H42 HAL2 0.090000 1.0080 0 1401 H 3 PET CD1 CAP -0.115000 12.0110 0 1402 H 3 PET HD1 HP 0.115000 1.0080 0 1403 H 3 PET CE1 CAP -0.115000 12.0110 0 1404 H 3 PET HE1 HP 0.115000 1.0080 0 1405 H 3 PET CD2 CAP -0.115000 12.0110 0 1406 H 3 PET HD2 HP 0.115000 1.0080 0 1407 H 3 PET CE2 CAP -0.115000 12.0110 0 1408 H 3 PET HE2 HP 0.115000 1.0080 0 1409 H 3 PET CG CAP 0.100000 12.0110 0 1410 H 3 PET C1 CL 0.630000 12.0110 0 1411 H 3 PET O11 OBL -0.520000 15.9990 0 1412 H 3 PET O12 OSL -0.340000 15.9990 0 1413 H 3 PET C3 CTL2 -0.050000 12.0110 0 1414 H 3 PET H31 HAL2 0.090000 1.0080 0 1415 H 3 PET H32 HAL2 0.090000 1.0080 0 1416 H 3 PET CZ CAP 0.100000 12.0110 0 1417 H 3 PET C2 CL 0.630000 12.0110 0 1418 H 3 PET O21 OBL -0.520000 15.9990 0 1419 H 3 PET O22 OSL -0.340000 15.9990 0 1420 H 3 PET C4 CTL2 -0.050000 12.0110 0 1421 H 3 PET H41 HAL2 0.090000 1.0080 0 1422 H 3 PET H42 HAL2 0.090000 1.0080 0 1423 H 4 PET CD1 CAP -0.115000 12.0110 0 1424 H 4 PET HD1 HP 0.115000 1.0080 0 1425 H 4 PET CE1 CAP -0.115000 12.0110 0 1426 H 4 PET HE1 HP 0.115000 1.0080 0 1427 H 4 PET CD2 CAP -0.115000 12.0110 0 1428 H 4 PET HD2 HP 0.115000 1.0080 0 1429 H 4 PET CE2 CAP -0.115000 12.0110 0 1430 H 4 PET HE2 HP 0.115000 1.0080 0 1431 H 4 PET CG CAP 0.100000 12.0110 0 1432 H 4 PET C1 CL 0.630000 12.0110 0 1433 H 4 PET O11 OBL -0.520000 15.9990 0 1434 H 4 PET O12 OSL -0.340000 15.9990 0 1435 H 4 PET C3 CTL2 -0.050000 12.0110 0 1436 H 4 PET H31 HAL2 0.090000 1.0080 0 1437 H 4 PET H32 HAL2 0.090000 1.0080 0 1438 H 4 PET CZ CAP 0.100000 12.0110 0 1439 H 4 PET C2 CL 0.630000 12.0110 0 1440 H 4 PET O21 OBL -0.520000 15.9990 0 1441 H 4 PET O22 OSL -0.340000 15.9990 0 1442 H 4 PET C4 CTL2 -0.050000 12.0110 0 1443 H 4 PET H41 HAL2 0.090000 1.0080 0 1444 H 4 PET H42 HAL2 0.090000 1.0080 0 1445 H 5 PET CD1 CAP -0.115000 12.0110 0 1446 H 5 PET HD1 HP 0.115000 1.0080 0 1447 H 5 PET CE1 CAP -0.115000 12.0110 0 1448 H 5 PET HE1 HP 0.115000 1.0080 0 1449 H 5 PET CD2 CAP -0.115000 12.0110 0 1450 H 5 PET HD2 HP 0.115000 1.0080 0 1451 H 5 PET CE2 CAP -0.115000 12.0110 0 1452 H 5 PET HE2 HP 0.115000 1.0080 0 1453 H 5 PET CG CAP 0.100000 12.0110 0 1454 H 5 PET C1 CL 0.630000 12.0110 0 1455 H 5 PET O11 OBL -0.520000 15.9990 0 1456 H 5 PET O12 OSL -0.340000 15.9990 0 1457 H 5 PET C3 CTL2 -0.050000 12.0110 0 1458 H 5 PET H31 HAL2 0.090000 1.0080 0 1459 H 5 PET H32 HAL2 0.090000 1.0080 0 1460 H 5 PET CZ CAP 0.100000 12.0110 0 1461 H 5 PET C2 CL 0.630000 12.0110 0 1462 H 5 PET O21 OBL -0.520000 15.9990 0 1463 H 5 PET O22 OSL -0.340000 15.9990 0 1464 H 5 PET C4 CTL2 -0.050000 12.0110 0 1465 H 5 PET H41 HAL2 0.090000 1.0080 0 1466 H 5 PET H42 HAL2 0.090000 1.0080 0 1467 H 6 PET CD1 CAP -0.115000 12.0110 0 1468 H 6 PET HD1 HP 0.115000 1.0080 0 1469 H 6 PET CE1 CAP -0.115000 12.0110 0 1470 H 6 PET HE1 HP 0.115000 1.0080 0 1471 H 6 PET CD2 CAP -0.115000 12.0110 0 1472 H 6 PET HD2 HP 0.115000 1.0080 0 1473 H 6 PET CE2 CAP -0.115000 12.0110 0 1474 H 6 PET HE2 HP 0.115000 1.0080 0 1475 H 6 PET CG CAP 0.100000 12.0110 0 1476 H 6 PET C1 CL 0.630000 12.0110 0 1477 H 6 PET O11 OBL -0.520000 15.9990 0 1478 H 6 PET O12 OSL -0.340000 15.9990 0 1479 H 6 PET C3 CTL2 -0.050000 12.0110 0 1480 H 6 PET H31 HAL2 0.090000 1.0080 0 1481 H 6 PET H32 HAL2 0.090000 1.0080 0 1482 H 6 PET CZ CAP 0.100000 12.0110 0 1483 H 6 PET C2 CL 0.630000 12.0110 0 1484 H 6 PET O21 OBL -0.520000 15.9990 0 1485 H 6 PET O22 OSL -0.340000 15.9990 0 1486 H 6 PET C4 CTL2 -0.050000 12.0110 0 1487 H 6 PET H41 HAL2 0.090000 1.0080 0 1488 H 6 PET H42 HAL2 0.090000 1.0080 0 1489 H 7 PET CD1 CAP -0.115000 12.0110 0 1490 H 7 PET HD1 HP 0.115000 1.0080 0 1491 H 7 PET CE1 CAP -0.115000 12.0110 0 1492 H 7 PET HE1 HP 0.115000 1.0080 0 1493 H 7 PET CD2 CAP -0.115000 12.0110 0 1494 H 7 PET HD2 HP 0.115000 1.0080 0 1495 H 7 PET CE2 CAP -0.115000 12.0110 0 1496 H 7 PET HE2 HP 0.115000 1.0080 0 1497 H 7 PET CG CAP 0.100000 12.0110 0 1498 H 7 PET C1 CL 0.630000 12.0110 0 1499 H 7 PET O11 OBL -0.520000 15.9990 0 1500 H 7 PET O12 OSL -0.340000 15.9990 0 1501 H 7 PET C3 CTL2 -0.050000 12.0110 0 1502 H 7 PET H31 HAL2 0.090000 1.0080 0 1503 H 7 PET H32 HAL2 0.090000 1.0080 0 1504 H 7 PET CZ CAP 0.100000 12.0110 0 1505 H 7 PET C2 CL 0.630000 12.0110 0 1506 H 7 PET O21 OBL -0.520000 15.9990 0 1507 H 7 PET O22 OSL -0.340000 15.9990 0 1508 H 7 PET C4 CTL2 -0.050000 12.0110 0 1509 H 7 PET H41 HAL2 0.090000 1.0080 0 1510 H 7 PET H42 HAL2 0.090000 1.0080 0 1511 H 8 PET CD1 CAP -0.115000 12.0110 0 1512 H 8 PET HD1 HP 0.115000 1.0080 0 1513 H 8 PET CE1 CAP -0.115000 12.0110 0 1514 H 8 PET HE1 HP 0.115000 1.0080 0 1515 H 8 PET CD2 CAP -0.115000 12.0110 0 1516 H 8 PET HD2 HP 0.115000 1.0080 0 1517 H 8 PET CE2 CAP -0.115000 12.0110 0 1518 H 8 PET HE2 HP 0.115000 1.0080 0 1519 H 8 PET CG CAP 0.100000 12.0110 0 1520 H 8 PET C1 CL 0.630000 12.0110 0 1521 H 8 PET O11 OBL -0.520000 15.9990 0 1522 H 8 PET O12 OSL -0.340000 15.9990 0 1523 H 8 PET C3 CTL2 -0.050000 12.0110 0 1524 H 8 PET H31 HAL2 0.090000 1.0080 0 1525 H 8 PET H32 HAL2 0.090000 1.0080 0 1526 H 8 PET CZ CAP 0.100000 12.0110 0 1527 H 8 PET C2 CL 0.630000 12.0110 0 1528 H 8 PET O21 OBL -0.520000 15.9990 0 1529 H 8 PET O22 OSL -0.340000 15.9990 0 1530 H 8 PET C4 CTL2 -0.050000 12.0110 0 1531 H 8 PET H41 HAL2 0.090000 1.0080 0 1532 H 8 PET H42 HAL2 0.090000 1.0080 0 1533 H 9 PET C1 CD 0.750000 12.0110 0 1534 H 9 PET O11 OB -0.550000 15.9990 0 1535 H 9 PET O12 OH1 -0.610000 15.9990 0 1536 H 9 PET CG CAP -0.030000 12.0110 0 1537 H 9 PET H12 H 0.440000 1.0080 0 1538 H 9 PET CD1 CAP -0.115000 12.0110 0 1539 H 9 PET HD1 HP 0.115000 1.0080 0 1540 H 9 PET CE1 CAP -0.115000 12.0110 0 1541 H 9 PET HE1 HP 0.115000 1.0080 0 1542 H 9 PET CD2 CAP -0.115000 12.0110 0 1543 H 9 PET HD2 HP 0.115000 1.0080 0 1544 H 9 PET CE2 CAP -0.115000 12.0110 0 1545 H 9 PET HE2 HP 0.115000 1.0080 0 1546 H 9 PET CZ CAP 0.100000 12.0110 0 1547 H 9 PET C2 CL 0.630000 12.0110 0 1548 H 9 PET O21 OBL -0.520000 15.9990 0 1549 H 9 PET O22 OSL -0.340000 15.9990 0 1550 H 9 PET C4 CTL2 -0.050000 12.0110 0 1551 H 9 PET H41 HAL2 0.090000 1.0080 0 1552 H 9 PET H42 HAL2 0.090000 1.0080 0 1553 I 1 PET C2 CD 0.750000 12.0110 0 1554 I 1 PET O21 OB -0.550000 15.9990 0 1555 I 1 PET O22 OH1 -0.610000 15.9990 0 1556 I 1 PET CZ CAP -0.030000 12.0110 0 1557 I 1 PET H22 H 0.440000 1.0080 0 1558 I 1 PET CD1 CAP -0.115000 12.0110 0 1559 I 1 PET HD1 HP 0.115000 1.0080 0 1560 I 1 PET CE1 CAP -0.115000 12.0110 0 1561 I 1 PET HE1 HP 0.115000 1.0080 0 1562 I 1 PET CD2 CAP -0.115000 12.0110 0 1563 I 1 PET HD2 HP 0.115000 1.0080 0 1564 I 1 PET CE2 CAP -0.115000 12.0110 0 1565 I 1 PET HE2 HP 0.115000 1.0080 0 1566 I 1 PET CG CAP 0.100000 12.0110 0 1567 I 1 PET C1 CL 0.630000 12.0110 0 1568 I 1 PET O11 OBL -0.520000 15.9990 0 1569 I 1 PET O12 OSL -0.340000 15.9990 0 1570 I 1 PET C3 CTL2 -0.050000 12.0110 0 1571 I 1 PET H31 HAL2 0.090000 1.0080 0 1572 I 1 PET H32 HAL2 0.090000 1.0080 0 1573 I 2 PET CD1 CAP -0.115000 12.0110 0 1574 I 2 PET HD1 HP 0.115000 1.0080 0 1575 I 2 PET CE1 CAP -0.115000 12.0110 0 1576 I 2 PET HE1 HP 0.115000 1.0080 0 1577 I 2 PET CD2 CAP -0.115000 12.0110 0 1578 I 2 PET HD2 HP 0.115000 1.0080 0 1579 I 2 PET CE2 CAP -0.115000 12.0110 0 1580 I 2 PET HE2 HP 0.115000 1.0080 0 1581 I 2 PET CG CAP 0.100000 12.0110 0 1582 I 2 PET C1 CL 0.630000 12.0110 0 1583 I 2 PET O11 OBL -0.520000 15.9990 0 1584 I 2 PET O12 OSL -0.340000 15.9990 0 1585 I 2 PET C3 CTL2 -0.050000 12.0110 0 1586 I 2 PET H31 HAL2 0.090000 1.0080 0 1587 I 2 PET H32 HAL2 0.090000 1.0080 0 1588 I 2 PET CZ CAP 0.100000 12.0110 0 1589 I 2 PET C2 CL 0.630000 12.0110 0 1590 I 2 PET O21 OBL -0.520000 15.9990 0 1591 I 2 PET O22 OSL -0.340000 15.9990 0 1592 I 2 PET C4 CTL2 -0.050000 12.0110 0 1593 I 2 PET H41 HAL2 0.090000 1.0080 0 1594 I 2 PET H42 HAL2 0.090000 1.0080 0 1595 I 3 PET CD1 CAP -0.115000 12.0110 0 1596 I 3 PET HD1 HP 0.115000 1.0080 0 1597 I 3 PET CE1 CAP -0.115000 12.0110 0 1598 I 3 PET HE1 HP 0.115000 1.0080 0 1599 I 3 PET CD2 CAP -0.115000 12.0110 0 1600 I 3 PET HD2 HP 0.115000 1.0080 0 1601 I 3 PET CE2 CAP -0.115000 12.0110 0 1602 I 3 PET HE2 HP 0.115000 1.0080 0 1603 I 3 PET CG CAP 0.100000 12.0110 0 1604 I 3 PET C1 CL 0.630000 12.0110 0 1605 I 3 PET O11 OBL -0.520000 15.9990 0 1606 I 3 PET O12 OSL -0.340000 15.9990 0 1607 I 3 PET C3 CTL2 -0.050000 12.0110 0 1608 I 3 PET H31 HAL2 0.090000 1.0080 0 1609 I 3 PET H32 HAL2 0.090000 1.0080 0 1610 I 3 PET CZ CAP 0.100000 12.0110 0 1611 I 3 PET C2 CL 0.630000 12.0110 0 1612 I 3 PET O21 OBL -0.520000 15.9990 0 1613 I 3 PET O22 OSL -0.340000 15.9990 0 1614 I 3 PET C4 CTL2 -0.050000 12.0110 0 1615 I 3 PET H41 HAL2 0.090000 1.0080 0 1616 I 3 PET H42 HAL2 0.090000 1.0080 0 1617 I 4 PET CD1 CAP -0.115000 12.0110 0 1618 I 4 PET HD1 HP 0.115000 1.0080 0 1619 I 4 PET CE1 CAP -0.115000 12.0110 0 1620 I 4 PET HE1 HP 0.115000 1.0080 0 1621 I 4 PET CD2 CAP -0.115000 12.0110 0 1622 I 4 PET HD2 HP 0.115000 1.0080 0 1623 I 4 PET CE2 CAP -0.115000 12.0110 0 1624 I 4 PET HE2 HP 0.115000 1.0080 0 1625 I 4 PET CG CAP 0.100000 12.0110 0 1626 I 4 PET C1 CL 0.630000 12.0110 0 1627 I 4 PET O11 OBL -0.520000 15.9990 0 1628 I 4 PET O12 OSL -0.340000 15.9990 0 1629 I 4 PET C3 CTL2 -0.050000 12.0110 0 1630 I 4 PET H31 HAL2 0.090000 1.0080 0 1631 I 4 PET H32 HAL2 0.090000 1.0080 0 1632 I 4 PET CZ CAP 0.100000 12.0110 0 1633 I 4 PET C2 CL 0.630000 12.0110 0 1634 I 4 PET O21 OBL -0.520000 15.9990 0 1635 I 4 PET O22 OSL -0.340000 15.9990 0 1636 I 4 PET C4 CTL2 -0.050000 12.0110 0 1637 I 4 PET H41 HAL2 0.090000 1.0080 0 1638 I 4 PET H42 HAL2 0.090000 1.0080 0 1639 I 5 PET CD1 CAP -0.115000 12.0110 0 1640 I 5 PET HD1 HP 0.115000 1.0080 0 1641 I 5 PET CE1 CAP -0.115000 12.0110 0 1642 I 5 PET HE1 HP 0.115000 1.0080 0 1643 I 5 PET CD2 CAP -0.115000 12.0110 0 1644 I 5 PET HD2 HP 0.115000 1.0080 0 1645 I 5 PET CE2 CAP -0.115000 12.0110 0 1646 I 5 PET HE2 HP 0.115000 1.0080 0 1647 I 5 PET CG CAP 0.100000 12.0110 0 1648 I 5 PET C1 CL 0.630000 12.0110 0 1649 I 5 PET O11 OBL -0.520000 15.9990 0 1650 I 5 PET O12 OSL -0.340000 15.9990 0 1651 I 5 PET C3 CTL2 -0.050000 12.0110 0 1652 I 5 PET H31 HAL2 0.090000 1.0080 0 1653 I 5 PET H32 HAL2 0.090000 1.0080 0 1654 I 5 PET CZ CAP 0.100000 12.0110 0 1655 I 5 PET C2 CL 0.630000 12.0110 0 1656 I 5 PET O21 OBL -0.520000 15.9990 0 1657 I 5 PET O22 OSL -0.340000 15.9990 0 1658 I 5 PET C4 CTL2 -0.050000 12.0110 0 1659 I 5 PET H41 HAL2 0.090000 1.0080 0 1660 I 5 PET H42 HAL2 0.090000 1.0080 0 1661 I 6 PET CD1 CAP -0.115000 12.0110 0 1662 I 6 PET HD1 HP 0.115000 1.0080 0 1663 I 6 PET CE1 CAP -0.115000 12.0110 0 1664 I 6 PET HE1 HP 0.115000 1.0080 0 1665 I 6 PET CD2 CAP -0.115000 12.0110 0 1666 I 6 PET HD2 HP 0.115000 1.0080 0 1667 I 6 PET CE2 CAP -0.115000 12.0110 0 1668 I 6 PET HE2 HP 0.115000 1.0080 0 1669 I 6 PET CG CAP 0.100000 12.0110 0 1670 I 6 PET C1 CL 0.630000 12.0110 0 1671 I 6 PET O11 OBL -0.520000 15.9990 0 1672 I 6 PET O12 OSL -0.340000 15.9990 0 1673 I 6 PET C3 CTL2 -0.050000 12.0110 0 1674 I 6 PET H31 HAL2 0.090000 1.0080 0 1675 I 6 PET H32 HAL2 0.090000 1.0080 0 1676 I 6 PET CZ CAP 0.100000 12.0110 0 1677 I 6 PET C2 CL 0.630000 12.0110 0 1678 I 6 PET O21 OBL -0.520000 15.9990 0 1679 I 6 PET O22 OSL -0.340000 15.9990 0 1680 I 6 PET C4 CTL2 -0.050000 12.0110 0 1681 I 6 PET H41 HAL2 0.090000 1.0080 0 1682 I 6 PET H42 HAL2 0.090000 1.0080 0 1683 I 7 PET CD1 CAP -0.115000 12.0110 0 1684 I 7 PET HD1 HP 0.115000 1.0080 0 1685 I 7 PET CE1 CAP -0.115000 12.0110 0 1686 I 7 PET HE1 HP 0.115000 1.0080 0 1687 I 7 PET CD2 CAP -0.115000 12.0110 0 1688 I 7 PET HD2 HP 0.115000 1.0080 0 1689 I 7 PET CE2 CAP -0.115000 12.0110 0 1690 I 7 PET HE2 HP 0.115000 1.0080 0 1691 I 7 PET CG CAP 0.100000 12.0110 0 1692 I 7 PET C1 CL 0.630000 12.0110 0 1693 I 7 PET O11 OBL -0.520000 15.9990 0 1694 I 7 PET O12 OSL -0.340000 15.9990 0 1695 I 7 PET C3 CTL2 -0.050000 12.0110 0 1696 I 7 PET H31 HAL2 0.090000 1.0080 0 1697 I 7 PET H32 HAL2 0.090000 1.0080 0 1698 I 7 PET CZ CAP 0.100000 12.0110 0 1699 I 7 PET C2 CL 0.630000 12.0110 0 1700 I 7 PET O21 OBL -0.520000 15.9990 0 1701 I 7 PET O22 OSL -0.340000 15.9990 0 1702 I 7 PET C4 CTL2 -0.050000 12.0110 0 1703 I 7 PET H41 HAL2 0.090000 1.0080 0 1704 I 7 PET H42 HAL2 0.090000 1.0080 0 1705 I 8 PET CD1 CAP -0.115000 12.0110 0 1706 I 8 PET HD1 HP 0.115000 1.0080 0 1707 I 8 PET CE1 CAP -0.115000 12.0110 0 1708 I 8 PET HE1 HP 0.115000 1.0080 0 1709 I 8 PET CD2 CAP -0.115000 12.0110 0 1710 I 8 PET HD2 HP 0.115000 1.0080 0 1711 I 8 PET CE2 CAP -0.115000 12.0110 0 1712 I 8 PET HE2 HP 0.115000 1.0080 0 1713 I 8 PET CG CAP 0.100000 12.0110 0 1714 I 8 PET C1 CL 0.630000 12.0110 0 1715 I 8 PET O11 OBL -0.520000 15.9990 0 1716 I 8 PET O12 OSL -0.340000 15.9990 0 1717 I 8 PET C3 CTL2 -0.050000 12.0110 0 1718 I 8 PET H31 HAL2 0.090000 1.0080 0 1719 I 8 PET H32 HAL2 0.090000 1.0080 0 1720 I 8 PET CZ CAP 0.100000 12.0110 0 1721 I 8 PET C2 CL 0.630000 12.0110 0 1722 I 8 PET O21 OBL -0.520000 15.9990 0 1723 I 8 PET O22 OSL -0.340000 15.9990 0 1724 I 8 PET C4 CTL2 -0.050000 12.0110 0 1725 I 8 PET H41 HAL2 0.090000 1.0080 0 1726 I 8 PET H42 HAL2 0.090000 1.0080 0 1727 I 9 PET C1 CD 0.750000 12.0110 0 1728 I 9 PET O11 OB -0.550000 15.9990 0 1729 I 9 PET O12 OH1 -0.610000 15.9990 0 1730 I 9 PET CG CAP -0.030000 12.0110 0 1731 I 9 PET H12 H 0.440000 1.0080 0 1732 I 9 PET CD1 CAP -0.115000 12.0110 0 1733 I 9 PET HD1 HP 0.115000 1.0080 0 1734 I 9 PET CE1 CAP -0.115000 12.0110 0 1735 I 9 PET HE1 HP 0.115000 1.0080 0 1736 I 9 PET CD2 CAP -0.115000 12.0110 0 1737 I 9 PET HD2 HP 0.115000 1.0080 0 1738 I 9 PET CE2 CAP -0.115000 12.0110 0 1739 I 9 PET HE2 HP 0.115000 1.0080 0 1740 I 9 PET CZ CAP 0.100000 12.0110 0 1741 I 9 PET C2 CL 0.630000 12.0110 0 1742 I 9 PET O21 OBL -0.520000 15.9990 0 1743 I 9 PET O22 OSL -0.340000 15.9990 0 1744 I 9 PET C4 CTL2 -0.050000 12.0110 0 1745 I 9 PET H41 HAL2 0.090000 1.0080 0 1746 I 9 PET H42 HAL2 0.090000 1.0080 0 1747 J 1 PET C2 CD 0.750000 12.0110 0 1748 J 1 PET O21 OB -0.550000 15.9990 0 1749 J 1 PET O22 OH1 -0.610000 15.9990 0 1750 J 1 PET CZ CAP -0.030000 12.0110 0 1751 J 1 PET H22 H 0.440000 1.0080 0 1752 J 1 PET CD1 CAP -0.115000 12.0110 0 1753 J 1 PET HD1 HP 0.115000 1.0080 0 1754 J 1 PET CE1 CAP -0.115000 12.0110 0 1755 J 1 PET HE1 HP 0.115000 1.0080 0 1756 J 1 PET CD2 CAP -0.115000 12.0110 0 1757 J 1 PET HD2 HP 0.115000 1.0080 0 1758 J 1 PET CE2 CAP -0.115000 12.0110 0 1759 J 1 PET HE2 HP 0.115000 1.0080 0 1760 J 1 PET CG CAP 0.100000 12.0110 0 1761 J 1 PET C1 CL 0.630000 12.0110 0 1762 J 1 PET O11 OBL -0.520000 15.9990 0 1763 J 1 PET O12 OSL -0.340000 15.9990 0 1764 J 1 PET C3 CTL2 -0.050000 12.0110 0 1765 J 1 PET H31 HAL2 0.090000 1.0080 0 1766 J 1 PET H32 HAL2 0.090000 1.0080 0 1767 J 2 PET CD1 CAP -0.115000 12.0110 0 1768 J 2 PET HD1 HP 0.115000 1.0080 0 1769 J 2 PET CE1 CAP -0.115000 12.0110 0 1770 J 2 PET HE1 HP 0.115000 1.0080 0 1771 J 2 PET CD2 CAP -0.115000 12.0110 0 1772 J 2 PET HD2 HP 0.115000 1.0080 0 1773 J 2 PET CE2 CAP -0.115000 12.0110 0 1774 J 2 PET HE2 HP 0.115000 1.0080 0 1775 J 2 PET CG CAP 0.100000 12.0110 0 1776 J 2 PET C1 CL 0.630000 12.0110 0 1777 J 2 PET O11 OBL -0.520000 15.9990 0 1778 J 2 PET O12 OSL -0.340000 15.9990 0 1779 J 2 PET C3 CTL2 -0.050000 12.0110 0 1780 J 2 PET H31 HAL2 0.090000 1.0080 0 1781 J 2 PET H32 HAL2 0.090000 1.0080 0 1782 J 2 PET CZ CAP 0.100000 12.0110 0 1783 J 2 PET C2 CL 0.630000 12.0110 0 1784 J 2 PET O21 OBL -0.520000 15.9990 0 1785 J 2 PET O22 OSL -0.340000 15.9990 0 1786 J 2 PET C4 CTL2 -0.050000 12.0110 0 1787 J 2 PET H41 HAL2 0.090000 1.0080 0 1788 J 2 PET H42 HAL2 0.090000 1.0080 0 1789 J 3 PET CD1 CAP -0.115000 12.0110 0 1790 J 3 PET HD1 HP 0.115000 1.0080 0 1791 J 3 PET CE1 CAP -0.115000 12.0110 0 1792 J 3 PET HE1 HP 0.115000 1.0080 0 1793 J 3 PET CD2 CAP -0.115000 12.0110 0 1794 J 3 PET HD2 HP 0.115000 1.0080 0 1795 J 3 PET CE2 CAP -0.115000 12.0110 0 1796 J 3 PET HE2 HP 0.115000 1.0080 0 1797 J 3 PET CG CAP 0.100000 12.0110 0 1798 J 3 PET C1 CL 0.630000 12.0110 0 1799 J 3 PET O11 OBL -0.520000 15.9990 0 1800 J 3 PET O12 OSL -0.340000 15.9990 0 1801 J 3 PET C3 CTL2 -0.050000 12.0110 0 1802 J 3 PET H31 HAL2 0.090000 1.0080 0 1803 J 3 PET H32 HAL2 0.090000 1.0080 0 1804 J 3 PET CZ CAP 0.100000 12.0110 0 1805 J 3 PET C2 CL 0.630000 12.0110 0 1806 J 3 PET O21 OBL -0.520000 15.9990 0 1807 J 3 PET O22 OSL -0.340000 15.9990 0 1808 J 3 PET C4 CTL2 -0.050000 12.0110 0 1809 J 3 PET H41 HAL2 0.090000 1.0080 0 1810 J 3 PET H42 HAL2 0.090000 1.0080 0 1811 J 4 PET CD1 CAP -0.115000 12.0110 0 1812 J 4 PET HD1 HP 0.115000 1.0080 0 1813 J 4 PET CE1 CAP -0.115000 12.0110 0 1814 J 4 PET HE1 HP 0.115000 1.0080 0 1815 J 4 PET CD2 CAP -0.115000 12.0110 0 1816 J 4 PET HD2 HP 0.115000 1.0080 0 1817 J 4 PET CE2 CAP -0.115000 12.0110 0 1818 J 4 PET HE2 HP 0.115000 1.0080 0 1819 J 4 PET CG CAP 0.100000 12.0110 0 1820 J 4 PET C1 CL 0.630000 12.0110 0 1821 J 4 PET O11 OBL -0.520000 15.9990 0 1822 J 4 PET O12 OSL -0.340000 15.9990 0 1823 J 4 PET C3 CTL2 -0.050000 12.0110 0 1824 J 4 PET H31 HAL2 0.090000 1.0080 0 1825 J 4 PET H32 HAL2 0.090000 1.0080 0 1826 J 4 PET CZ CAP 0.100000 12.0110 0 1827 J 4 PET C2 CL 0.630000 12.0110 0 1828 J 4 PET O21 OBL -0.520000 15.9990 0 1829 J 4 PET O22 OSL -0.340000 15.9990 0 1830 J 4 PET C4 CTL2 -0.050000 12.0110 0 1831 J 4 PET H41 HAL2 0.090000 1.0080 0 1832 J 4 PET H42 HAL2 0.090000 1.0080 0 1833 J 5 PET CD1 CAP -0.115000 12.0110 0 1834 J 5 PET HD1 HP 0.115000 1.0080 0 1835 J 5 PET CE1 CAP -0.115000 12.0110 0 1836 J 5 PET HE1 HP 0.115000 1.0080 0 1837 J 5 PET CD2 CAP -0.115000 12.0110 0 1838 J 5 PET HD2 HP 0.115000 1.0080 0 1839 J 5 PET CE2 CAP -0.115000 12.0110 0 1840 J 5 PET HE2 HP 0.115000 1.0080 0 1841 J 5 PET CG CAP 0.100000 12.0110 0 1842 J 5 PET C1 CL 0.630000 12.0110 0 1843 J 5 PET O11 OBL -0.520000 15.9990 0 1844 J 5 PET O12 OSL -0.340000 15.9990 0 1845 J 5 PET C3 CTL2 -0.050000 12.0110 0 1846 J 5 PET H31 HAL2 0.090000 1.0080 0 1847 J 5 PET H32 HAL2 0.090000 1.0080 0 1848 J 5 PET CZ CAP 0.100000 12.0110 0 1849 J 5 PET C2 CL 0.630000 12.0110 0 1850 J 5 PET O21 OBL -0.520000 15.9990 0 1851 J 5 PET O22 OSL -0.340000 15.9990 0 1852 J 5 PET C4 CTL2 -0.050000 12.0110 0 1853 J 5 PET H41 HAL2 0.090000 1.0080 0 1854 J 5 PET H42 HAL2 0.090000 1.0080 0 1855 J 6 PET CD1 CAP -0.115000 12.0110 0 1856 J 6 PET HD1 HP 0.115000 1.0080 0 1857 J 6 PET CE1 CAP -0.115000 12.0110 0 1858 J 6 PET HE1 HP 0.115000 1.0080 0 1859 J 6 PET CD2 CAP -0.115000 12.0110 0 1860 J 6 PET HD2 HP 0.115000 1.0080 0 1861 J 6 PET CE2 CAP -0.115000 12.0110 0 1862 J 6 PET HE2 HP 0.115000 1.0080 0 1863 J 6 PET CG CAP 0.100000 12.0110 0 1864 J 6 PET C1 CL 0.630000 12.0110 0 1865 J 6 PET O11 OBL -0.520000 15.9990 0 1866 J 6 PET O12 OSL -0.340000 15.9990 0 1867 J 6 PET C3 CTL2 -0.050000 12.0110 0 1868 J 6 PET H31 HAL2 0.090000 1.0080 0 1869 J 6 PET H32 HAL2 0.090000 1.0080 0 1870 J 6 PET CZ CAP 0.100000 12.0110 0 1871 J 6 PET C2 CL 0.630000 12.0110 0 1872 J 6 PET O21 OBL -0.520000 15.9990 0 1873 J 6 PET O22 OSL -0.340000 15.9990 0 1874 J 6 PET C4 CTL2 -0.050000 12.0110 0 1875 J 6 PET H41 HAL2 0.090000 1.0080 0 1876 J 6 PET H42 HAL2 0.090000 1.0080 0 1877 J 7 PET CD1 CAP -0.115000 12.0110 0 1878 J 7 PET HD1 HP 0.115000 1.0080 0 1879 J 7 PET CE1 CAP -0.115000 12.0110 0 1880 J 7 PET HE1 HP 0.115000 1.0080 0 1881 J 7 PET CD2 CAP -0.115000 12.0110 0 1882 J 7 PET HD2 HP 0.115000 1.0080 0 1883 J 7 PET CE2 CAP -0.115000 12.0110 0 1884 J 7 PET HE2 HP 0.115000 1.0080 0 1885 J 7 PET CG CAP 0.100000 12.0110 0 1886 J 7 PET C1 CL 0.630000 12.0110 0 1887 J 7 PET O11 OBL -0.520000 15.9990 0 1888 J 7 PET O12 OSL -0.340000 15.9990 0 1889 J 7 PET C3 CTL2 -0.050000 12.0110 0 1890 J 7 PET H31 HAL2 0.090000 1.0080 0 1891 J 7 PET H32 HAL2 0.090000 1.0080 0 1892 J 7 PET CZ CAP 0.100000 12.0110 0 1893 J 7 PET C2 CL 0.630000 12.0110 0 1894 J 7 PET O21 OBL -0.520000 15.9990 0 1895 J 7 PET O22 OSL -0.340000 15.9990 0 1896 J 7 PET C4 CTL2 -0.050000 12.0110 0 1897 J 7 PET H41 HAL2 0.090000 1.0080 0 1898 J 7 PET H42 HAL2 0.090000 1.0080 0 1899 J 8 PET CD1 CAP -0.115000 12.0110 0 1900 J 8 PET HD1 HP 0.115000 1.0080 0 1901 J 8 PET CE1 CAP -0.115000 12.0110 0 1902 J 8 PET HE1 HP 0.115000 1.0080 0 1903 J 8 PET CD2 CAP -0.115000 12.0110 0 1904 J 8 PET HD2 HP 0.115000 1.0080 0 1905 J 8 PET CE2 CAP -0.115000 12.0110 0 1906 J 8 PET HE2 HP 0.115000 1.0080 0 1907 J 8 PET CG CAP 0.100000 12.0110 0 1908 J 8 PET C1 CL 0.630000 12.0110 0 1909 J 8 PET O11 OBL -0.520000 15.9990 0 1910 J 8 PET O12 OSL -0.340000 15.9990 0 1911 J 8 PET C3 CTL2 -0.050000 12.0110 0 1912 J 8 PET H31 HAL2 0.090000 1.0080 0 1913 J 8 PET H32 HAL2 0.090000 1.0080 0 1914 J 8 PET CZ CAP 0.100000 12.0110 0 1915 J 8 PET C2 CL 0.630000 12.0110 0 1916 J 8 PET O21 OBL -0.520000 15.9990 0 1917 J 8 PET O22 OSL -0.340000 15.9990 0 1918 J 8 PET C4 CTL2 -0.050000 12.0110 0 1919 J 8 PET H41 HAL2 0.090000 1.0080 0 1920 J 8 PET H42 HAL2 0.090000 1.0080 0 1921 J 9 PET C1 CD 0.750000 12.0110 0 1922 J 9 PET O11 OB -0.550000 15.9990 0 1923 J 9 PET O12 OH1 -0.610000 15.9990 0 1924 J 9 PET CG CAP -0.030000 12.0110 0 1925 J 9 PET H12 H 0.440000 1.0080 0 1926 J 9 PET CD1 CAP -0.115000 12.0110 0 1927 J 9 PET HD1 HP 0.115000 1.0080 0 1928 J 9 PET CE1 CAP -0.115000 12.0110 0 1929 J 9 PET HE1 HP 0.115000 1.0080 0 1930 J 9 PET CD2 CAP -0.115000 12.0110 0 1931 J 9 PET HD2 HP 0.115000 1.0080 0 1932 J 9 PET CE2 CAP -0.115000 12.0110 0 1933 J 9 PET HE2 HP 0.115000 1.0080 0 1934 J 9 PET CZ CAP 0.100000 12.0110 0 1935 J 9 PET C2 CL 0.630000 12.0110 0 1936 J 9 PET O21 OBL -0.520000 15.9990 0 1937 J 9 PET O22 OSL -0.340000 15.9990 0 1938 J 9 PET C4 CTL2 -0.050000 12.0110 0 1939 J 9 PET H41 HAL2 0.090000 1.0080 0 1940 J 9 PET H42 HAL2 0.090000 1.0080 0 1941 K 1 PET C2 CD 0.750000 12.0110 0 1942 K 1 PET O21 OB -0.550000 15.9990 0 1943 K 1 PET O22 OH1 -0.610000 15.9990 0 1944 K 1 PET CZ CAP -0.030000 12.0110 0 1945 K 1 PET H22 H 0.440000 1.0080 0 1946 K 1 PET CD1 CAP -0.115000 12.0110 0 1947 K 1 PET HD1 HP 0.115000 1.0080 0 1948 K 1 PET CE1 CAP -0.115000 12.0110 0 1949 K 1 PET HE1 HP 0.115000 1.0080 0 1950 K 1 PET CD2 CAP -0.115000 12.0110 0 1951 K 1 PET HD2 HP 0.115000 1.0080 0 1952 K 1 PET CE2 CAP -0.115000 12.0110 0 1953 K 1 PET HE2 HP 0.115000 1.0080 0 1954 K 1 PET CG CAP 0.100000 12.0110 0 1955 K 1 PET C1 CL 0.630000 12.0110 0 1956 K 1 PET O11 OBL -0.520000 15.9990 0 1957 K 1 PET O12 OSL -0.340000 15.9990 0 1958 K 1 PET C3 CTL2 -0.050000 12.0110 0 1959 K 1 PET H31 HAL2 0.090000 1.0080 0 1960 K 1 PET H32 HAL2 0.090000 1.0080 0 1961 K 2 PET CD1 CAP -0.115000 12.0110 0 1962 K 2 PET HD1 HP 0.115000 1.0080 0 1963 K 2 PET CE1 CAP -0.115000 12.0110 0 1964 K 2 PET HE1 HP 0.115000 1.0080 0 1965 K 2 PET CD2 CAP -0.115000 12.0110 0 1966 K 2 PET HD2 HP 0.115000 1.0080 0 1967 K 2 PET CE2 CAP -0.115000 12.0110 0 1968 K 2 PET HE2 HP 0.115000 1.0080 0 1969 K 2 PET CG CAP 0.100000 12.0110 0 1970 K 2 PET C1 CL 0.630000 12.0110 0 1971 K 2 PET O11 OBL -0.520000 15.9990 0 1972 K 2 PET O12 OSL -0.340000 15.9990 0 1973 K 2 PET C3 CTL2 -0.050000 12.0110 0 1974 K 2 PET H31 HAL2 0.090000 1.0080 0 1975 K 2 PET H32 HAL2 0.090000 1.0080 0 1976 K 2 PET CZ CAP 0.100000 12.0110 0 1977 K 2 PET C2 CL 0.630000 12.0110 0 1978 K 2 PET O21 OBL -0.520000 15.9990 0 1979 K 2 PET O22 OSL -0.340000 15.9990 0 1980 K 2 PET C4 CTL2 -0.050000 12.0110 0 1981 K 2 PET H41 HAL2 0.090000 1.0080 0 1982 K 2 PET H42 HAL2 0.090000 1.0080 0 1983 K 3 PET CD1 CAP -0.115000 12.0110 0 1984 K 3 PET HD1 HP 0.115000 1.0080 0 1985 K 3 PET CE1 CAP -0.115000 12.0110 0 1986 K 3 PET HE1 HP 0.115000 1.0080 0 1987 K 3 PET CD2 CAP -0.115000 12.0110 0 1988 K 3 PET HD2 HP 0.115000 1.0080 0 1989 K 3 PET CE2 CAP -0.115000 12.0110 0 1990 K 3 PET HE2 HP 0.115000 1.0080 0 1991 K 3 PET CG CAP 0.100000 12.0110 0 1992 K 3 PET C1 CL 0.630000 12.0110 0 1993 K 3 PET O11 OBL -0.520000 15.9990 0 1994 K 3 PET O12 OSL -0.340000 15.9990 0 1995 K 3 PET C3 CTL2 -0.050000 12.0110 0 1996 K 3 PET H31 HAL2 0.090000 1.0080 0 1997 K 3 PET H32 HAL2 0.090000 1.0080 0 1998 K 3 PET CZ CAP 0.100000 12.0110 0 1999 K 3 PET C2 CL 0.630000 12.0110 0 2000 K 3 PET O21 OBL -0.520000 15.9990 0 2001 K 3 PET O22 OSL -0.340000 15.9990 0 2002 K 3 PET C4 CTL2 -0.050000 12.0110 0 2003 K 3 PET H41 HAL2 0.090000 1.0080 0 2004 K 3 PET H42 HAL2 0.090000 1.0080 0 2005 K 4 PET CD1 CAP -0.115000 12.0110 0 2006 K 4 PET HD1 HP 0.115000 1.0080 0 2007 K 4 PET CE1 CAP -0.115000 12.0110 0 2008 K 4 PET HE1 HP 0.115000 1.0080 0 2009 K 4 PET CD2 CAP -0.115000 12.0110 0 2010 K 4 PET HD2 HP 0.115000 1.0080 0 2011 K 4 PET CE2 CAP -0.115000 12.0110 0 2012 K 4 PET HE2 HP 0.115000 1.0080 0 2013 K 4 PET CG CAP 0.100000 12.0110 0 2014 K 4 PET C1 CL 0.630000 12.0110 0 2015 K 4 PET O11 OBL -0.520000 15.9990 0 2016 K 4 PET O12 OSL -0.340000 15.9990 0 2017 K 4 PET C3 CTL2 -0.050000 12.0110 0 2018 K 4 PET H31 HAL2 0.090000 1.0080 0 2019 K 4 PET H32 HAL2 0.090000 1.0080 0 2020 K 4 PET CZ CAP 0.100000 12.0110 0 2021 K 4 PET C2 CL 0.630000 12.0110 0 2022 K 4 PET O21 OBL -0.520000 15.9990 0 2023 K 4 PET O22 OSL -0.340000 15.9990 0 2024 K 4 PET C4 CTL2 -0.050000 12.0110 0 2025 K 4 PET H41 HAL2 0.090000 1.0080 0 2026 K 4 PET H42 HAL2 0.090000 1.0080 0 2027 K 5 PET CD1 CAP -0.115000 12.0110 0 2028 K 5 PET HD1 HP 0.115000 1.0080 0 2029 K 5 PET CE1 CAP -0.115000 12.0110 0 2030 K 5 PET HE1 HP 0.115000 1.0080 0 2031 K 5 PET CD2 CAP -0.115000 12.0110 0 2032 K 5 PET HD2 HP 0.115000 1.0080 0 2033 K 5 PET CE2 CAP -0.115000 12.0110 0 2034 K 5 PET HE2 HP 0.115000 1.0080 0 2035 K 5 PET CG CAP 0.100000 12.0110 0 2036 K 5 PET C1 CL 0.630000 12.0110 0 2037 K 5 PET O11 OBL -0.520000 15.9990 0 2038 K 5 PET O12 OSL -0.340000 15.9990 0 2039 K 5 PET C3 CTL2 -0.050000 12.0110 0 2040 K 5 PET H31 HAL2 0.090000 1.0080 0 2041 K 5 PET H32 HAL2 0.090000 1.0080 0 2042 K 5 PET CZ CAP 0.100000 12.0110 0 2043 K 5 PET C2 CL 0.630000 12.0110 0 2044 K 5 PET O21 OBL -0.520000 15.9990 0 2045 K 5 PET O22 OSL -0.340000 15.9990 0 2046 K 5 PET C4 CTL2 -0.050000 12.0110 0 2047 K 5 PET H41 HAL2 0.090000 1.0080 0 2048 K 5 PET H42 HAL2 0.090000 1.0080 0 2049 K 6 PET CD1 CAP -0.115000 12.0110 0 2050 K 6 PET HD1 HP 0.115000 1.0080 0 2051 K 6 PET CE1 CAP -0.115000 12.0110 0 2052 K 6 PET HE1 HP 0.115000 1.0080 0 2053 K 6 PET CD2 CAP -0.115000 12.0110 0 2054 K 6 PET HD2 HP 0.115000 1.0080 0 2055 K 6 PET CE2 CAP -0.115000 12.0110 0 2056 K 6 PET HE2 HP 0.115000 1.0080 0 2057 K 6 PET CG CAP 0.100000 12.0110 0 2058 K 6 PET C1 CL 0.630000 12.0110 0 2059 K 6 PET O11 OBL -0.520000 15.9990 0 2060 K 6 PET O12 OSL -0.340000 15.9990 0 2061 K 6 PET C3 CTL2 -0.050000 12.0110 0 2062 K 6 PET H31 HAL2 0.090000 1.0080 0 2063 K 6 PET H32 HAL2 0.090000 1.0080 0 2064 K 6 PET CZ CAP 0.100000 12.0110 0 2065 K 6 PET C2 CL 0.630000 12.0110 0 2066 K 6 PET O21 OBL -0.520000 15.9990 0 2067 K 6 PET O22 OSL -0.340000 15.9990 0 2068 K 6 PET C4 CTL2 -0.050000 12.0110 0 2069 K 6 PET H41 HAL2 0.090000 1.0080 0 2070 K 6 PET H42 HAL2 0.090000 1.0080 0 2071 K 7 PET CD1 CAP -0.115000 12.0110 0 2072 K 7 PET HD1 HP 0.115000 1.0080 0 2073 K 7 PET CE1 CAP -0.115000 12.0110 0 2074 K 7 PET HE1 HP 0.115000 1.0080 0 2075 K 7 PET CD2 CAP -0.115000 12.0110 0 2076 K 7 PET HD2 HP 0.115000 1.0080 0 2077 K 7 PET CE2 CAP -0.115000 12.0110 0 2078 K 7 PET HE2 HP 0.115000 1.0080 0 2079 K 7 PET CG CAP 0.100000 12.0110 0 2080 K 7 PET C1 CL 0.630000 12.0110 0 2081 K 7 PET O11 OBL -0.520000 15.9990 0 2082 K 7 PET O12 OSL -0.340000 15.9990 0 2083 K 7 PET C3 CTL2 -0.050000 12.0110 0 2084 K 7 PET H31 HAL2 0.090000 1.0080 0 2085 K 7 PET H32 HAL2 0.090000 1.0080 0 2086 K 7 PET CZ CAP 0.100000 12.0110 0 2087 K 7 PET C2 CL 0.630000 12.0110 0 2088 K 7 PET O21 OBL -0.520000 15.9990 0 2089 K 7 PET O22 OSL -0.340000 15.9990 0 2090 K 7 PET C4 CTL2 -0.050000 12.0110 0 2091 K 7 PET H41 HAL2 0.090000 1.0080 0 2092 K 7 PET H42 HAL2 0.090000 1.0080 0 2093 K 8 PET CD1 CAP -0.115000 12.0110 0 2094 K 8 PET HD1 HP 0.115000 1.0080 0 2095 K 8 PET CE1 CAP -0.115000 12.0110 0 2096 K 8 PET HE1 HP 0.115000 1.0080 0 2097 K 8 PET CD2 CAP -0.115000 12.0110 0 2098 K 8 PET HD2 HP 0.115000 1.0080 0 2099 K 8 PET CE2 CAP -0.115000 12.0110 0 2100 K 8 PET HE2 HP 0.115000 1.0080 0 2101 K 8 PET CG CAP 0.100000 12.0110 0 2102 K 8 PET C1 CL 0.630000 12.0110 0 2103 K 8 PET O11 OBL -0.520000 15.9990 0 2104 K 8 PET O12 OSL -0.340000 15.9990 0 2105 K 8 PET C3 CTL2 -0.050000 12.0110 0 2106 K 8 PET H31 HAL2 0.090000 1.0080 0 2107 K 8 PET H32 HAL2 0.090000 1.0080 0 2108 K 8 PET CZ CAP 0.100000 12.0110 0 2109 K 8 PET C2 CL 0.630000 12.0110 0 2110 K 8 PET O21 OBL -0.520000 15.9990 0 2111 K 8 PET O22 OSL -0.340000 15.9990 0 2112 K 8 PET C4 CTL2 -0.050000 12.0110 0 2113 K 8 PET H41 HAL2 0.090000 1.0080 0 2114 K 8 PET H42 HAL2 0.090000 1.0080 0 2115 K 9 PET C1 CD 0.750000 12.0110 0 2116 K 9 PET O11 OB -0.550000 15.9990 0 2117 K 9 PET O12 OH1 -0.610000 15.9990 0 2118 K 9 PET CG CAP -0.030000 12.0110 0 2119 K 9 PET H12 H 0.440000 1.0080 0 2120 K 9 PET CD1 CAP -0.115000 12.0110 0 2121 K 9 PET HD1 HP 0.115000 1.0080 0 2122 K 9 PET CE1 CAP -0.115000 12.0110 0 2123 K 9 PET HE1 HP 0.115000 1.0080 0 2124 K 9 PET CD2 CAP -0.115000 12.0110 0 2125 K 9 PET HD2 HP 0.115000 1.0080 0 2126 K 9 PET CE2 CAP -0.115000 12.0110 0 2127 K 9 PET HE2 HP 0.115000 1.0080 0 2128 K 9 PET CZ CAP 0.100000 12.0110 0 2129 K 9 PET C2 CL 0.630000 12.0110 0 2130 K 9 PET O21 OBL -0.520000 15.9990 0 2131 K 9 PET O22 OSL -0.340000 15.9990 0 2132 K 9 PET C4 CTL2 -0.050000 12.0110 0 2133 K 9 PET H41 HAL2 0.090000 1.0080 0 2134 K 9 PET H42 HAL2 0.090000 1.0080 0 2135 L 1 PET C2 CD 0.750000 12.0110 0 2136 L 1 PET O21 OB -0.550000 15.9990 0 2137 L 1 PET O22 OH1 -0.610000 15.9990 0 2138 L 1 PET CZ CAP -0.030000 12.0110 0 2139 L 1 PET H22 H 0.440000 1.0080 0 2140 L 1 PET CD1 CAP -0.115000 12.0110 0 2141 L 1 PET HD1 HP 0.115000 1.0080 0 2142 L 1 PET CE1 CAP -0.115000 12.0110 0 2143 L 1 PET HE1 HP 0.115000 1.0080 0 2144 L 1 PET CD2 CAP -0.115000 12.0110 0 2145 L 1 PET HD2 HP 0.115000 1.0080 0 2146 L 1 PET CE2 CAP -0.115000 12.0110 0 2147 L 1 PET HE2 HP 0.115000 1.0080 0 2148 L 1 PET CG CAP 0.100000 12.0110 0 2149 L 1 PET C1 CL 0.630000 12.0110 0 2150 L 1 PET O11 OBL -0.520000 15.9990 0 2151 L 1 PET O12 OSL -0.340000 15.9990 0 2152 L 1 PET C3 CTL2 -0.050000 12.0110 0 2153 L 1 PET H31 HAL2 0.090000 1.0080 0 2154 L 1 PET H32 HAL2 0.090000 1.0080 0 2155 L 2 PET CD1 CAP -0.115000 12.0110 0 2156 L 2 PET HD1 HP 0.115000 1.0080 0 2157 L 2 PET CE1 CAP -0.115000 12.0110 0 2158 L 2 PET HE1 HP 0.115000 1.0080 0 2159 L 2 PET CD2 CAP -0.115000 12.0110 0 2160 L 2 PET HD2 HP 0.115000 1.0080 0 2161 L 2 PET CE2 CAP -0.115000 12.0110 0 2162 L 2 PET HE2 HP 0.115000 1.0080 0 2163 L 2 PET CG CAP 0.100000 12.0110 0 2164 L 2 PET C1 CL 0.630000 12.0110 0 2165 L 2 PET O11 OBL -0.520000 15.9990 0 2166 L 2 PET O12 OSL -0.340000 15.9990 0 2167 L 2 PET C3 CTL2 -0.050000 12.0110 0 2168 L 2 PET H31 HAL2 0.090000 1.0080 0 2169 L 2 PET H32 HAL2 0.090000 1.0080 0 2170 L 2 PET CZ CAP 0.100000 12.0110 0 2171 L 2 PET C2 CL 0.630000 12.0110 0 2172 L 2 PET O21 OBL -0.520000 15.9990 0 2173 L 2 PET O22 OSL -0.340000 15.9990 0 2174 L 2 PET C4 CTL2 -0.050000 12.0110 0 2175 L 2 PET H41 HAL2 0.090000 1.0080 0 2176 L 2 PET H42 HAL2 0.090000 1.0080 0 2177 L 3 PET CD1 CAP -0.115000 12.0110 0 2178 L 3 PET HD1 HP 0.115000 1.0080 0 2179 L 3 PET CE1 CAP -0.115000 12.0110 0 2180 L 3 PET HE1 HP 0.115000 1.0080 0 2181 L 3 PET CD2 CAP -0.115000 12.0110 0 2182 L 3 PET HD2 HP 0.115000 1.0080 0 2183 L 3 PET CE2 CAP -0.115000 12.0110 0 2184 L 3 PET HE2 HP 0.115000 1.0080 0 2185 L 3 PET CG CAP 0.100000 12.0110 0 2186 L 3 PET C1 CL 0.630000 12.0110 0 2187 L 3 PET O11 OBL -0.520000 15.9990 0 2188 L 3 PET O12 OSL -0.340000 15.9990 0 2189 L 3 PET C3 CTL2 -0.050000 12.0110 0 2190 L 3 PET H31 HAL2 0.090000 1.0080 0 2191 L 3 PET H32 HAL2 0.090000 1.0080 0 2192 L 3 PET CZ CAP 0.100000 12.0110 0 2193 L 3 PET C2 CL 0.630000 12.0110 0 2194 L 3 PET O21 OBL -0.520000 15.9990 0 2195 L 3 PET O22 OSL -0.340000 15.9990 0 2196 L 3 PET C4 CTL2 -0.050000 12.0110 0 2197 L 3 PET H41 HAL2 0.090000 1.0080 0 2198 L 3 PET H42 HAL2 0.090000 1.0080 0 2199 L 4 PET CD1 CAP -0.115000 12.0110 0 2200 L 4 PET HD1 HP 0.115000 1.0080 0 2201 L 4 PET CE1 CAP -0.115000 12.0110 0 2202 L 4 PET HE1 HP 0.115000 1.0080 0 2203 L 4 PET CD2 CAP -0.115000 12.0110 0 2204 L 4 PET HD2 HP 0.115000 1.0080 0 2205 L 4 PET CE2 CAP -0.115000 12.0110 0 2206 L 4 PET HE2 HP 0.115000 1.0080 0 2207 L 4 PET CG CAP 0.100000 12.0110 0 2208 L 4 PET C1 CL 0.630000 12.0110 0 2209 L 4 PET O11 OBL -0.520000 15.9990 0 2210 L 4 PET O12 OSL -0.340000 15.9990 0 2211 L 4 PET C3 CTL2 -0.050000 12.0110 0 2212 L 4 PET H31 HAL2 0.090000 1.0080 0 2213 L 4 PET H32 HAL2 0.090000 1.0080 0 2214 L 4 PET CZ CAP 0.100000 12.0110 0 2215 L 4 PET C2 CL 0.630000 12.0110 0 2216 L 4 PET O21 OBL -0.520000 15.9990 0 2217 L 4 PET O22 OSL -0.340000 15.9990 0 2218 L 4 PET C4 CTL2 -0.050000 12.0110 0 2219 L 4 PET H41 HAL2 0.090000 1.0080 0 2220 L 4 PET H42 HAL2 0.090000 1.0080 0 2221 L 5 PET CD1 CAP -0.115000 12.0110 0 2222 L 5 PET HD1 HP 0.115000 1.0080 0 2223 L 5 PET CE1 CAP -0.115000 12.0110 0 2224 L 5 PET HE1 HP 0.115000 1.0080 0 2225 L 5 PET CD2 CAP -0.115000 12.0110 0 2226 L 5 PET HD2 HP 0.115000 1.0080 0 2227 L 5 PET CE2 CAP -0.115000 12.0110 0 2228 L 5 PET HE2 HP 0.115000 1.0080 0 2229 L 5 PET CG CAP 0.100000 12.0110 0 2230 L 5 PET C1 CL 0.630000 12.0110 0 2231 L 5 PET O11 OBL -0.520000 15.9990 0 2232 L 5 PET O12 OSL -0.340000 15.9990 0 2233 L 5 PET C3 CTL2 -0.050000 12.0110 0 2234 L 5 PET H31 HAL2 0.090000 1.0080 0 2235 L 5 PET H32 HAL2 0.090000 1.0080 0 2236 L 5 PET CZ CAP 0.100000 12.0110 0 2237 L 5 PET C2 CL 0.630000 12.0110 0 2238 L 5 PET O21 OBL -0.520000 15.9990 0 2239 L 5 PET O22 OSL -0.340000 15.9990 0 2240 L 5 PET C4 CTL2 -0.050000 12.0110 0 2241 L 5 PET H41 HAL2 0.090000 1.0080 0 2242 L 5 PET H42 HAL2 0.090000 1.0080 0 2243 L 6 PET CD1 CAP -0.115000 12.0110 0 2244 L 6 PET HD1 HP 0.115000 1.0080 0 2245 L 6 PET CE1 CAP -0.115000 12.0110 0 2246 L 6 PET HE1 HP 0.115000 1.0080 0 2247 L 6 PET CD2 CAP -0.115000 12.0110 0 2248 L 6 PET HD2 HP 0.115000 1.0080 0 2249 L 6 PET CE2 CAP -0.115000 12.0110 0 2250 L 6 PET HE2 HP 0.115000 1.0080 0 2251 L 6 PET CG CAP 0.100000 12.0110 0 2252 L 6 PET C1 CL 0.630000 12.0110 0 2253 L 6 PET O11 OBL -0.520000 15.9990 0 2254 L 6 PET O12 OSL -0.340000 15.9990 0 2255 L 6 PET C3 CTL2 -0.050000 12.0110 0 2256 L 6 PET H31 HAL2 0.090000 1.0080 0 2257 L 6 PET H32 HAL2 0.090000 1.0080 0 2258 L 6 PET CZ CAP 0.100000 12.0110 0 2259 L 6 PET C2 CL 0.630000 12.0110 0 2260 L 6 PET O21 OBL -0.520000 15.9990 0 2261 L 6 PET O22 OSL -0.340000 15.9990 0 2262 L 6 PET C4 CTL2 -0.050000 12.0110 0 2263 L 6 PET H41 HAL2 0.090000 1.0080 0 2264 L 6 PET H42 HAL2 0.090000 1.0080 0 2265 L 7 PET CD1 CAP -0.115000 12.0110 0 2266 L 7 PET HD1 HP 0.115000 1.0080 0 2267 L 7 PET CE1 CAP -0.115000 12.0110 0 2268 L 7 PET HE1 HP 0.115000 1.0080 0 2269 L 7 PET CD2 CAP -0.115000 12.0110 0 2270 L 7 PET HD2 HP 0.115000 1.0080 0 2271 L 7 PET CE2 CAP -0.115000 12.0110 0 2272 L 7 PET HE2 HP 0.115000 1.0080 0 2273 L 7 PET CG CAP 0.100000 12.0110 0 2274 L 7 PET C1 CL 0.630000 12.0110 0 2275 L 7 PET O11 OBL -0.520000 15.9990 0 2276 L 7 PET O12 OSL -0.340000 15.9990 0 2277 L 7 PET C3 CTL2 -0.050000 12.0110 0 2278 L 7 PET H31 HAL2 0.090000 1.0080 0 2279 L 7 PET H32 HAL2 0.090000 1.0080 0 2280 L 7 PET CZ CAP 0.100000 12.0110 0 2281 L 7 PET C2 CL 0.630000 12.0110 0 2282 L 7 PET O21 OBL -0.520000 15.9990 0 2283 L 7 PET O22 OSL -0.340000 15.9990 0 2284 L 7 PET C4 CTL2 -0.050000 12.0110 0 2285 L 7 PET H41 HAL2 0.090000 1.0080 0 2286 L 7 PET H42 HAL2 0.090000 1.0080 0 2287 L 8 PET CD1 CAP -0.115000 12.0110 0 2288 L 8 PET HD1 HP 0.115000 1.0080 0 2289 L 8 PET CE1 CAP -0.115000 12.0110 0 2290 L 8 PET HE1 HP 0.115000 1.0080 0 2291 L 8 PET CD2 CAP -0.115000 12.0110 0 2292 L 8 PET HD2 HP 0.115000 1.0080 0 2293 L 8 PET CE2 CAP -0.115000 12.0110 0 2294 L 8 PET HE2 HP 0.115000 1.0080 0 2295 L 8 PET CG CAP 0.100000 12.0110 0 2296 L 8 PET C1 CL 0.630000 12.0110 0 2297 L 8 PET O11 OBL -0.520000 15.9990 0 2298 L 8 PET O12 OSL -0.340000 15.9990 0 2299 L 8 PET C3 CTL2 -0.050000 12.0110 0 2300 L 8 PET H31 HAL2 0.090000 1.0080 0 2301 L 8 PET H32 HAL2 0.090000 1.0080 0 2302 L 8 PET CZ CAP 0.100000 12.0110 0 2303 L 8 PET C2 CL 0.630000 12.0110 0 2304 L 8 PET O21 OBL -0.520000 15.9990 0 2305 L 8 PET O22 OSL -0.340000 15.9990 0 2306 L 8 PET C4 CTL2 -0.050000 12.0110 0 2307 L 8 PET H41 HAL2 0.090000 1.0080 0 2308 L 8 PET H42 HAL2 0.090000 1.0080 0 2309 L 9 PET C1 CD 0.750000 12.0110 0 2310 L 9 PET O11 OB -0.550000 15.9990 0 2311 L 9 PET O12 OH1 -0.610000 15.9990 0 2312 L 9 PET CG CAP -0.030000 12.0110 0 2313 L 9 PET H12 H 0.440000 1.0080 0 2314 L 9 PET CD1 CAP -0.115000 12.0110 0 2315 L 9 PET HD1 HP 0.115000 1.0080 0 2316 L 9 PET CE1 CAP -0.115000 12.0110 0 2317 L 9 PET HE1 HP 0.115000 1.0080 0 2318 L 9 PET CD2 CAP -0.115000 12.0110 0 2319 L 9 PET HD2 HP 0.115000 1.0080 0 2320 L 9 PET CE2 CAP -0.115000 12.0110 0 2321 L 9 PET HE2 HP 0.115000 1.0080 0 2322 L 9 PET CZ CAP 0.100000 12.0110 0 2323 L 9 PET C2 CL 0.630000 12.0110 0 2324 L 9 PET O21 OBL -0.520000 15.9990 0 2325 L 9 PET O22 OSL -0.340000 15.9990 0 2326 L 9 PET C4 CTL2 -0.050000 12.0110 0 2327 L 9 PET H41 HAL2 0.090000 1.0080 0 2328 L 9 PET H42 HAL2 0.090000 1.0080 0 2329 M 1 PET C2 CD 0.750000 12.0110 0 2330 M 1 PET O21 OB -0.550000 15.9990 0 2331 M 1 PET O22 OH1 -0.610000 15.9990 0 2332 M 1 PET CZ CAP -0.030000 12.0110 0 2333 M 1 PET H22 H 0.440000 1.0080 0 2334 M 1 PET CD1 CAP -0.115000 12.0110 0 2335 M 1 PET HD1 HP 0.115000 1.0080 0 2336 M 1 PET CE1 CAP -0.115000 12.0110 0 2337 M 1 PET HE1 HP 0.115000 1.0080 0 2338 M 1 PET CD2 CAP -0.115000 12.0110 0 2339 M 1 PET HD2 HP 0.115000 1.0080 0 2340 M 1 PET CE2 CAP -0.115000 12.0110 0 2341 M 1 PET HE2 HP 0.115000 1.0080 0 2342 M 1 PET CG CAP 0.100000 12.0110 0 2343 M 1 PET C1 CL 0.630000 12.0110 0 2344 M 1 PET O11 OBL -0.520000 15.9990 0 2345 M 1 PET O12 OSL -0.340000 15.9990 0 2346 M 1 PET C3 CTL2 -0.050000 12.0110 0 2347 M 1 PET H31 HAL2 0.090000 1.0080 0 2348 M 1 PET H32 HAL2 0.090000 1.0080 0 2349 M 2 PET CD1 CAP -0.115000 12.0110 0 2350 M 2 PET HD1 HP 0.115000 1.0080 0 2351 M 2 PET CE1 CAP -0.115000 12.0110 0 2352 M 2 PET HE1 HP 0.115000 1.0080 0 2353 M 2 PET CD2 CAP -0.115000 12.0110 0 2354 M 2 PET HD2 HP 0.115000 1.0080 0 2355 M 2 PET CE2 CAP -0.115000 12.0110 0 2356 M 2 PET HE2 HP 0.115000 1.0080 0 2357 M 2 PET CG CAP 0.100000 12.0110 0 2358 M 2 PET C1 CL 0.630000 12.0110 0 2359 M 2 PET O11 OBL -0.520000 15.9990 0 2360 M 2 PET O12 OSL -0.340000 15.9990 0 2361 M 2 PET C3 CTL2 -0.050000 12.0110 0 2362 M 2 PET H31 HAL2 0.090000 1.0080 0 2363 M 2 PET H32 HAL2 0.090000 1.0080 0 2364 M 2 PET CZ CAP 0.100000 12.0110 0 2365 M 2 PET C2 CL 0.630000 12.0110 0 2366 M 2 PET O21 OBL -0.520000 15.9990 0 2367 M 2 PET O22 OSL -0.340000 15.9990 0 2368 M 2 PET C4 CTL2 -0.050000 12.0110 0 2369 M 2 PET H41 HAL2 0.090000 1.0080 0 2370 M 2 PET H42 HAL2 0.090000 1.0080 0 2371 M 3 PET CD1 CAP -0.115000 12.0110 0 2372 M 3 PET HD1 HP 0.115000 1.0080 0 2373 M 3 PET CE1 CAP -0.115000 12.0110 0 2374 M 3 PET HE1 HP 0.115000 1.0080 0 2375 M 3 PET CD2 CAP -0.115000 12.0110 0 2376 M 3 PET HD2 HP 0.115000 1.0080 0 2377 M 3 PET CE2 CAP -0.115000 12.0110 0 2378 M 3 PET HE2 HP 0.115000 1.0080 0 2379 M 3 PET CG CAP 0.100000 12.0110 0 2380 M 3 PET C1 CL 0.630000 12.0110 0 2381 M 3 PET O11 OBL -0.520000 15.9990 0 2382 M 3 PET O12 OSL -0.340000 15.9990 0 2383 M 3 PET C3 CTL2 -0.050000 12.0110 0 2384 M 3 PET H31 HAL2 0.090000 1.0080 0 2385 M 3 PET H32 HAL2 0.090000 1.0080 0 2386 M 3 PET CZ CAP 0.100000 12.0110 0 2387 M 3 PET C2 CL 0.630000 12.0110 0 2388 M 3 PET O21 OBL -0.520000 15.9990 0 2389 M 3 PET O22 OSL -0.340000 15.9990 0 2390 M 3 PET C4 CTL2 -0.050000 12.0110 0 2391 M 3 PET H41 HAL2 0.090000 1.0080 0 2392 M 3 PET H42 HAL2 0.090000 1.0080 0 2393 M 4 PET CD1 CAP -0.115000 12.0110 0 2394 M 4 PET HD1 HP 0.115000 1.0080 0 2395 M 4 PET CE1 CAP -0.115000 12.0110 0 2396 M 4 PET HE1 HP 0.115000 1.0080 0 2397 M 4 PET CD2 CAP -0.115000 12.0110 0 2398 M 4 PET HD2 HP 0.115000 1.0080 0 2399 M 4 PET CE2 CAP -0.115000 12.0110 0 2400 M 4 PET HE2 HP 0.115000 1.0080 0 2401 M 4 PET CG CAP 0.100000 12.0110 0 2402 M 4 PET C1 CL 0.630000 12.0110 0 2403 M 4 PET O11 OBL -0.520000 15.9990 0 2404 M 4 PET O12 OSL -0.340000 15.9990 0 2405 M 4 PET C3 CTL2 -0.050000 12.0110 0 2406 M 4 PET H31 HAL2 0.090000 1.0080 0 2407 M 4 PET H32 HAL2 0.090000 1.0080 0 2408 M 4 PET CZ CAP 0.100000 12.0110 0 2409 M 4 PET C2 CL 0.630000 12.0110 0 2410 M 4 PET O21 OBL -0.520000 15.9990 0 2411 M 4 PET O22 OSL -0.340000 15.9990 0 2412 M 4 PET C4 CTL2 -0.050000 12.0110 0 2413 M 4 PET H41 HAL2 0.090000 1.0080 0 2414 M 4 PET H42 HAL2 0.090000 1.0080 0 2415 M 5 PET CD1 CAP -0.115000 12.0110 0 2416 M 5 PET HD1 HP 0.115000 1.0080 0 2417 M 5 PET CE1 CAP -0.115000 12.0110 0 2418 M 5 PET HE1 HP 0.115000 1.0080 0 2419 M 5 PET CD2 CAP -0.115000 12.0110 0 2420 M 5 PET HD2 HP 0.115000 1.0080 0 2421 M 5 PET CE2 CAP -0.115000 12.0110 0 2422 M 5 PET HE2 HP 0.115000 1.0080 0 2423 M 5 PET CG CAP 0.100000 12.0110 0 2424 M 5 PET C1 CL 0.630000 12.0110 0 2425 M 5 PET O11 OBL -0.520000 15.9990 0 2426 M 5 PET O12 OSL -0.340000 15.9990 0 2427 M 5 PET C3 CTL2 -0.050000 12.0110 0 2428 M 5 PET H31 HAL2 0.090000 1.0080 0 2429 M 5 PET H32 HAL2 0.090000 1.0080 0 2430 M 5 PET CZ CAP 0.100000 12.0110 0 2431 M 5 PET C2 CL 0.630000 12.0110 0 2432 M 5 PET O21 OBL -0.520000 15.9990 0 2433 M 5 PET O22 OSL -0.340000 15.9990 0 2434 M 5 PET C4 CTL2 -0.050000 12.0110 0 2435 M 5 PET H41 HAL2 0.090000 1.0080 0 2436 M 5 PET H42 HAL2 0.090000 1.0080 0 2437 M 6 PET CD1 CAP -0.115000 12.0110 0 2438 M 6 PET HD1 HP 0.115000 1.0080 0 2439 M 6 PET CE1 CAP -0.115000 12.0110 0 2440 M 6 PET HE1 HP 0.115000 1.0080 0 2441 M 6 PET CD2 CAP -0.115000 12.0110 0 2442 M 6 PET HD2 HP 0.115000 1.0080 0 2443 M 6 PET CE2 CAP -0.115000 12.0110 0 2444 M 6 PET HE2 HP 0.115000 1.0080 0 2445 M 6 PET CG CAP 0.100000 12.0110 0 2446 M 6 PET C1 CL 0.630000 12.0110 0 2447 M 6 PET O11 OBL -0.520000 15.9990 0 2448 M 6 PET O12 OSL -0.340000 15.9990 0 2449 M 6 PET C3 CTL2 -0.050000 12.0110 0 2450 M 6 PET H31 HAL2 0.090000 1.0080 0 2451 M 6 PET H32 HAL2 0.090000 1.0080 0 2452 M 6 PET CZ CAP 0.100000 12.0110 0 2453 M 6 PET C2 CL 0.630000 12.0110 0 2454 M 6 PET O21 OBL -0.520000 15.9990 0 2455 M 6 PET O22 OSL -0.340000 15.9990 0 2456 M 6 PET C4 CTL2 -0.050000 12.0110 0 2457 M 6 PET H41 HAL2 0.090000 1.0080 0 2458 M 6 PET H42 HAL2 0.090000 1.0080 0 2459 M 7 PET CD1 CAP -0.115000 12.0110 0 2460 M 7 PET HD1 HP 0.115000 1.0080 0 2461 M 7 PET CE1 CAP -0.115000 12.0110 0 2462 M 7 PET HE1 HP 0.115000 1.0080 0 2463 M 7 PET CD2 CAP -0.115000 12.0110 0 2464 M 7 PET HD2 HP 0.115000 1.0080 0 2465 M 7 PET CE2 CAP -0.115000 12.0110 0 2466 M 7 PET HE2 HP 0.115000 1.0080 0 2467 M 7 PET CG CAP 0.100000 12.0110 0 2468 M 7 PET C1 CL 0.630000 12.0110 0 2469 M 7 PET O11 OBL -0.520000 15.9990 0 2470 M 7 PET O12 OSL -0.340000 15.9990 0 2471 M 7 PET C3 CTL2 -0.050000 12.0110 0 2472 M 7 PET H31 HAL2 0.090000 1.0080 0 2473 M 7 PET H32 HAL2 0.090000 1.0080 0 2474 M 7 PET CZ CAP 0.100000 12.0110 0 2475 M 7 PET C2 CL 0.630000 12.0110 0 2476 M 7 PET O21 OBL -0.520000 15.9990 0 2477 M 7 PET O22 OSL -0.340000 15.9990 0 2478 M 7 PET C4 CTL2 -0.050000 12.0110 0 2479 M 7 PET H41 HAL2 0.090000 1.0080 0 2480 M 7 PET H42 HAL2 0.090000 1.0080 0 2481 M 8 PET CD1 CAP -0.115000 12.0110 0 2482 M 8 PET HD1 HP 0.115000 1.0080 0 2483 M 8 PET CE1 CAP -0.115000 12.0110 0 2484 M 8 PET HE1 HP 0.115000 1.0080 0 2485 M 8 PET CD2 CAP -0.115000 12.0110 0 2486 M 8 PET HD2 HP 0.115000 1.0080 0 2487 M 8 PET CE2 CAP -0.115000 12.0110 0 2488 M 8 PET HE2 HP 0.115000 1.0080 0 2489 M 8 PET CG CAP 0.100000 12.0110 0 2490 M 8 PET C1 CL 0.630000 12.0110 0 2491 M 8 PET O11 OBL -0.520000 15.9990 0 2492 M 8 PET O12 OSL -0.340000 15.9990 0 2493 M 8 PET C3 CTL2 -0.050000 12.0110 0 2494 M 8 PET H31 HAL2 0.090000 1.0080 0 2495 M 8 PET H32 HAL2 0.090000 1.0080 0 2496 M 8 PET CZ CAP 0.100000 12.0110 0 2497 M 8 PET C2 CL 0.630000 12.0110 0 2498 M 8 PET O21 OBL -0.520000 15.9990 0 2499 M 8 PET O22 OSL -0.340000 15.9990 0 2500 M 8 PET C4 CTL2 -0.050000 12.0110 0 2501 M 8 PET H41 HAL2 0.090000 1.0080 0 2502 M 8 PET H42 HAL2 0.090000 1.0080 0 2503 M 9 PET C1 CD 0.750000 12.0110 0 2504 M 9 PET O11 OB -0.550000 15.9990 0 2505 M 9 PET O12 OH1 -0.610000 15.9990 0 2506 M 9 PET CG CAP -0.030000 12.0110 0 2507 M 9 PET H12 H 0.440000 1.0080 0 2508 M 9 PET CD1 CAP -0.115000 12.0110 0 2509 M 9 PET HD1 HP 0.115000 1.0080 0 2510 M 9 PET CE1 CAP -0.115000 12.0110 0 2511 M 9 PET HE1 HP 0.115000 1.0080 0 2512 M 9 PET CD2 CAP -0.115000 12.0110 0 2513 M 9 PET HD2 HP 0.115000 1.0080 0 2514 M 9 PET CE2 CAP -0.115000 12.0110 0 2515 M 9 PET HE2 HP 0.115000 1.0080 0 2516 M 9 PET CZ CAP 0.100000 12.0110 0 2517 M 9 PET C2 CL 0.630000 12.0110 0 2518 M 9 PET O21 OBL -0.520000 15.9990 0 2519 M 9 PET O22 OSL -0.340000 15.9990 0 2520 M 9 PET C4 CTL2 -0.050000 12.0110 0 2521 M 9 PET H41 HAL2 0.090000 1.0080 0 2522 M 9 PET H42 HAL2 0.090000 1.0080 0 2523 N 1 PET C2 CD 0.750000 12.0110 0 2524 N 1 PET O21 OB -0.550000 15.9990 0 2525 N 1 PET O22 OH1 -0.610000 15.9990 0 2526 N 1 PET CZ CAP -0.030000 12.0110 0 2527 N 1 PET H22 H 0.440000 1.0080 0 2528 N 1 PET CD1 CAP -0.115000 12.0110 0 2529 N 1 PET HD1 HP 0.115000 1.0080 0 2530 N 1 PET CE1 CAP -0.115000 12.0110 0 2531 N 1 PET HE1 HP 0.115000 1.0080 0 2532 N 1 PET CD2 CAP -0.115000 12.0110 0 2533 N 1 PET HD2 HP 0.115000 1.0080 0 2534 N 1 PET CE2 CAP -0.115000 12.0110 0 2535 N 1 PET HE2 HP 0.115000 1.0080 0 2536 N 1 PET CG CAP 0.100000 12.0110 0 2537 N 1 PET C1 CL 0.630000 12.0110 0 2538 N 1 PET O11 OBL -0.520000 15.9990 0 2539 N 1 PET O12 OSL -0.340000 15.9990 0 2540 N 1 PET C3 CTL2 -0.050000 12.0110 0 2541 N 1 PET H31 HAL2 0.090000 1.0080 0 2542 N 1 PET H32 HAL2 0.090000 1.0080 0 2543 N 2 PET CD1 CAP -0.115000 12.0110 0 2544 N 2 PET HD1 HP 0.115000 1.0080 0 2545 N 2 PET CE1 CAP -0.115000 12.0110 0 2546 N 2 PET HE1 HP 0.115000 1.0080 0 2547 N 2 PET CD2 CAP -0.115000 12.0110 0 2548 N 2 PET HD2 HP 0.115000 1.0080 0 2549 N 2 PET CE2 CAP -0.115000 12.0110 0 2550 N 2 PET HE2 HP 0.115000 1.0080 0 2551 N 2 PET CG CAP 0.100000 12.0110 0 2552 N 2 PET C1 CL 0.630000 12.0110 0 2553 N 2 PET O11 OBL -0.520000 15.9990 0 2554 N 2 PET O12 OSL -0.340000 15.9990 0 2555 N 2 PET C3 CTL2 -0.050000 12.0110 0 2556 N 2 PET H31 HAL2 0.090000 1.0080 0 2557 N 2 PET H32 HAL2 0.090000 1.0080 0 2558 N 2 PET CZ CAP 0.100000 12.0110 0 2559 N 2 PET C2 CL 0.630000 12.0110 0 2560 N 2 PET O21 OBL -0.520000 15.9990 0 2561 N 2 PET O22 OSL -0.340000 15.9990 0 2562 N 2 PET C4 CTL2 -0.050000 12.0110 0 2563 N 2 PET H41 HAL2 0.090000 1.0080 0 2564 N 2 PET H42 HAL2 0.090000 1.0080 0 2565 N 3 PET CD1 CAP -0.115000 12.0110 0 2566 N 3 PET HD1 HP 0.115000 1.0080 0 2567 N 3 PET CE1 CAP -0.115000 12.0110 0 2568 N 3 PET HE1 HP 0.115000 1.0080 0 2569 N 3 PET CD2 CAP -0.115000 12.0110 0 2570 N 3 PET HD2 HP 0.115000 1.0080 0 2571 N 3 PET CE2 CAP -0.115000 12.0110 0 2572 N 3 PET HE2 HP 0.115000 1.0080 0 2573 N 3 PET CG CAP 0.100000 12.0110 0 2574 N 3 PET C1 CL 0.630000 12.0110 0 2575 N 3 PET O11 OBL -0.520000 15.9990 0 2576 N 3 PET O12 OSL -0.340000 15.9990 0 2577 N 3 PET C3 CTL2 -0.050000 12.0110 0 2578 N 3 PET H31 HAL2 0.090000 1.0080 0 2579 N 3 PET H32 HAL2 0.090000 1.0080 0 2580 N 3 PET CZ CAP 0.100000 12.0110 0 2581 N 3 PET C2 CL 0.630000 12.0110 0 2582 N 3 PET O21 OBL -0.520000 15.9990 0 2583 N 3 PET O22 OSL -0.340000 15.9990 0 2584 N 3 PET C4 CTL2 -0.050000 12.0110 0 2585 N 3 PET H41 HAL2 0.090000 1.0080 0 2586 N 3 PET H42 HAL2 0.090000 1.0080 0 2587 N 4 PET CD1 CAP -0.115000 12.0110 0 2588 N 4 PET HD1 HP 0.115000 1.0080 0 2589 N 4 PET CE1 CAP -0.115000 12.0110 0 2590 N 4 PET HE1 HP 0.115000 1.0080 0 2591 N 4 PET CD2 CAP -0.115000 12.0110 0 2592 N 4 PET HD2 HP 0.115000 1.0080 0 2593 N 4 PET CE2 CAP -0.115000 12.0110 0 2594 N 4 PET HE2 HP 0.115000 1.0080 0 2595 N 4 PET CG CAP 0.100000 12.0110 0 2596 N 4 PET C1 CL 0.630000 12.0110 0 2597 N 4 PET O11 OBL -0.520000 15.9990 0 2598 N 4 PET O12 OSL -0.340000 15.9990 0 2599 N 4 PET C3 CTL2 -0.050000 12.0110 0 2600 N 4 PET H31 HAL2 0.090000 1.0080 0 2601 N 4 PET H32 HAL2 0.090000 1.0080 0 2602 N 4 PET CZ CAP 0.100000 12.0110 0 2603 N 4 PET C2 CL 0.630000 12.0110 0 2604 N 4 PET O21 OBL -0.520000 15.9990 0 2605 N 4 PET O22 OSL -0.340000 15.9990 0 2606 N 4 PET C4 CTL2 -0.050000 12.0110 0 2607 N 4 PET H41 HAL2 0.090000 1.0080 0 2608 N 4 PET H42 HAL2 0.090000 1.0080 0 2609 N 5 PET CD1 CAP -0.115000 12.0110 0 2610 N 5 PET HD1 HP 0.115000 1.0080 0 2611 N 5 PET CE1 CAP -0.115000 12.0110 0 2612 N 5 PET HE1 HP 0.115000 1.0080 0 2613 N 5 PET CD2 CAP -0.115000 12.0110 0 2614 N 5 PET HD2 HP 0.115000 1.0080 0 2615 N 5 PET CE2 CAP -0.115000 12.0110 0 2616 N 5 PET HE2 HP 0.115000 1.0080 0 2617 N 5 PET CG CAP 0.100000 12.0110 0 2618 N 5 PET C1 CL 0.630000 12.0110 0 2619 N 5 PET O11 OBL -0.520000 15.9990 0 2620 N 5 PET O12 OSL -0.340000 15.9990 0 2621 N 5 PET C3 CTL2 -0.050000 12.0110 0 2622 N 5 PET H31 HAL2 0.090000 1.0080 0 2623 N 5 PET H32 HAL2 0.090000 1.0080 0 2624 N 5 PET CZ CAP 0.100000 12.0110 0 2625 N 5 PET C2 CL 0.630000 12.0110 0 2626 N 5 PET O21 OBL -0.520000 15.9990 0 2627 N 5 PET O22 OSL -0.340000 15.9990 0 2628 N 5 PET C4 CTL2 -0.050000 12.0110 0 2629 N 5 PET H41 HAL2 0.090000 1.0080 0 2630 N 5 PET H42 HAL2 0.090000 1.0080 0 2631 N 6 PET CD1 CAP -0.115000 12.0110 0 2632 N 6 PET HD1 HP 0.115000 1.0080 0 2633 N 6 PET CE1 CAP -0.115000 12.0110 0 2634 N 6 PET HE1 HP 0.115000 1.0080 0 2635 N 6 PET CD2 CAP -0.115000 12.0110 0 2636 N 6 PET HD2 HP 0.115000 1.0080 0 2637 N 6 PET CE2 CAP -0.115000 12.0110 0 2638 N 6 PET HE2 HP 0.115000 1.0080 0 2639 N 6 PET CG CAP 0.100000 12.0110 0 2640 N 6 PET C1 CL 0.630000 12.0110 0 2641 N 6 PET O11 OBL -0.520000 15.9990 0 2642 N 6 PET O12 OSL -0.340000 15.9990 0 2643 N 6 PET C3 CTL2 -0.050000 12.0110 0 2644 N 6 PET H31 HAL2 0.090000 1.0080 0 2645 N 6 PET H32 HAL2 0.090000 1.0080 0 2646 N 6 PET CZ CAP 0.100000 12.0110 0 2647 N 6 PET C2 CL 0.630000 12.0110 0 2648 N 6 PET O21 OBL -0.520000 15.9990 0 2649 N 6 PET O22 OSL -0.340000 15.9990 0 2650 N 6 PET C4 CTL2 -0.050000 12.0110 0 2651 N 6 PET H41 HAL2 0.090000 1.0080 0 2652 N 6 PET H42 HAL2 0.090000 1.0080 0 2653 N 7 PET CD1 CAP -0.115000 12.0110 0 2654 N 7 PET HD1 HP 0.115000 1.0080 0 2655 N 7 PET CE1 CAP -0.115000 12.0110 0 2656 N 7 PET HE1 HP 0.115000 1.0080 0 2657 N 7 PET CD2 CAP -0.115000 12.0110 0 2658 N 7 PET HD2 HP 0.115000 1.0080 0 2659 N 7 PET CE2 CAP -0.115000 12.0110 0 2660 N 7 PET HE2 HP 0.115000 1.0080 0 2661 N 7 PET CG CAP 0.100000 12.0110 0 2662 N 7 PET C1 CL 0.630000 12.0110 0 2663 N 7 PET O11 OBL -0.520000 15.9990 0 2664 N 7 PET O12 OSL -0.340000 15.9990 0 2665 N 7 PET C3 CTL2 -0.050000 12.0110 0 2666 N 7 PET H31 HAL2 0.090000 1.0080 0 2667 N 7 PET H32 HAL2 0.090000 1.0080 0 2668 N 7 PET CZ CAP 0.100000 12.0110 0 2669 N 7 PET C2 CL 0.630000 12.0110 0 2670 N 7 PET O21 OBL -0.520000 15.9990 0 2671 N 7 PET O22 OSL -0.340000 15.9990 0 2672 N 7 PET C4 CTL2 -0.050000 12.0110 0 2673 N 7 PET H41 HAL2 0.090000 1.0080 0 2674 N 7 PET H42 HAL2 0.090000 1.0080 0 2675 N 8 PET CD1 CAP -0.115000 12.0110 0 2676 N 8 PET HD1 HP 0.115000 1.0080 0 2677 N 8 PET CE1 CAP -0.115000 12.0110 0 2678 N 8 PET HE1 HP 0.115000 1.0080 0 2679 N 8 PET CD2 CAP -0.115000 12.0110 0 2680 N 8 PET HD2 HP 0.115000 1.0080 0 2681 N 8 PET CE2 CAP -0.115000 12.0110 0 2682 N 8 PET HE2 HP 0.115000 1.0080 0 2683 N 8 PET CG CAP 0.100000 12.0110 0 2684 N 8 PET C1 CL 0.630000 12.0110 0 2685 N 8 PET O11 OBL -0.520000 15.9990 0 2686 N 8 PET O12 OSL -0.340000 15.9990 0 2687 N 8 PET C3 CTL2 -0.050000 12.0110 0 2688 N 8 PET H31 HAL2 0.090000 1.0080 0 2689 N 8 PET H32 HAL2 0.090000 1.0080 0 2690 N 8 PET CZ CAP 0.100000 12.0110 0 2691 N 8 PET C2 CL 0.630000 12.0110 0 2692 N 8 PET O21 OBL -0.520000 15.9990 0 2693 N 8 PET O22 OSL -0.340000 15.9990 0 2694 N 8 PET C4 CTL2 -0.050000 12.0110 0 2695 N 8 PET H41 HAL2 0.090000 1.0080 0 2696 N 8 PET H42 HAL2 0.090000 1.0080 0 2697 N 9 PET C1 CD 0.750000 12.0110 0 2698 N 9 PET O11 OB -0.550000 15.9990 0 2699 N 9 PET O12 OH1 -0.610000 15.9990 0 2700 N 9 PET CG CAP -0.030000 12.0110 0 2701 N 9 PET H12 H 0.440000 1.0080 0 2702 N 9 PET CD1 CAP -0.115000 12.0110 0 2703 N 9 PET HD1 HP 0.115000 1.0080 0 2704 N 9 PET CE1 CAP -0.115000 12.0110 0 2705 N 9 PET HE1 HP 0.115000 1.0080 0 2706 N 9 PET CD2 CAP -0.115000 12.0110 0 2707 N 9 PET HD2 HP 0.115000 1.0080 0 2708 N 9 PET CE2 CAP -0.115000 12.0110 0 2709 N 9 PET HE2 HP 0.115000 1.0080 0 2710 N 9 PET CZ CAP 0.100000 12.0110 0 2711 N 9 PET C2 CL 0.630000 12.0110 0 2712 N 9 PET O21 OBL -0.520000 15.9990 0 2713 N 9 PET O22 OSL -0.340000 15.9990 0 2714 N 9 PET C4 CTL2 -0.050000 12.0110 0 2715 N 9 PET H41 HAL2 0.090000 1.0080 0 2716 N 9 PET H42 HAL2 0.090000 1.0080 0 2717 O 1 PET C2 CD 0.750000 12.0110 0 2718 O 1 PET O21 OB -0.550000 15.9990 0 2719 O 1 PET O22 OH1 -0.610000 15.9990 0 2720 O 1 PET CZ CAP -0.030000 12.0110 0 2721 O 1 PET H22 H 0.440000 1.0080 0 2722 O 1 PET CD1 CAP -0.115000 12.0110 0 2723 O 1 PET HD1 HP 0.115000 1.0080 0 2724 O 1 PET CE1 CAP -0.115000 12.0110 0 2725 O 1 PET HE1 HP 0.115000 1.0080 0 2726 O 1 PET CD2 CAP -0.115000 12.0110 0 2727 O 1 PET HD2 HP 0.115000 1.0080 0 2728 O 1 PET CE2 CAP -0.115000 12.0110 0 2729 O 1 PET HE2 HP 0.115000 1.0080 0 2730 O 1 PET CG CAP 0.100000 12.0110 0 2731 O 1 PET C1 CL 0.630000 12.0110 0 2732 O 1 PET O11 OBL -0.520000 15.9990 0 2733 O 1 PET O12 OSL -0.340000 15.9990 0 2734 O 1 PET C3 CTL2 -0.050000 12.0110 0 2735 O 1 PET H31 HAL2 0.090000 1.0080 0 2736 O 1 PET H32 HAL2 0.090000 1.0080 0 2737 O 2 PET CD1 CAP -0.115000 12.0110 0 2738 O 2 PET HD1 HP 0.115000 1.0080 0 2739 O 2 PET CE1 CAP -0.115000 12.0110 0 2740 O 2 PET HE1 HP 0.115000 1.0080 0 2741 O 2 PET CD2 CAP -0.115000 12.0110 0 2742 O 2 PET HD2 HP 0.115000 1.0080 0 2743 O 2 PET CE2 CAP -0.115000 12.0110 0 2744 O 2 PET HE2 HP 0.115000 1.0080 0 2745 O 2 PET CG CAP 0.100000 12.0110 0 2746 O 2 PET C1 CL 0.630000 12.0110 0 2747 O 2 PET O11 OBL -0.520000 15.9990 0 2748 O 2 PET O12 OSL -0.340000 15.9990 0 2749 O 2 PET C3 CTL2 -0.050000 12.0110 0 2750 O 2 PET H31 HAL2 0.090000 1.0080 0 2751 O 2 PET H32 HAL2 0.090000 1.0080 0 2752 O 2 PET CZ CAP 0.100000 12.0110 0 2753 O 2 PET C2 CL 0.630000 12.0110 0 2754 O 2 PET O21 OBL -0.520000 15.9990 0 2755 O 2 PET O22 OSL -0.340000 15.9990 0 2756 O 2 PET C4 CTL2 -0.050000 12.0110 0 2757 O 2 PET H41 HAL2 0.090000 1.0080 0 2758 O 2 PET H42 HAL2 0.090000 1.0080 0 2759 O 3 PET CD1 CAP -0.115000 12.0110 0 2760 O 3 PET HD1 HP 0.115000 1.0080 0 2761 O 3 PET CE1 CAP -0.115000 12.0110 0 2762 O 3 PET HE1 HP 0.115000 1.0080 0 2763 O 3 PET CD2 CAP -0.115000 12.0110 0 2764 O 3 PET HD2 HP 0.115000 1.0080 0 2765 O 3 PET CE2 CAP -0.115000 12.0110 0 2766 O 3 PET HE2 HP 0.115000 1.0080 0 2767 O 3 PET CG CAP 0.100000 12.0110 0 2768 O 3 PET C1 CL 0.630000 12.0110 0 2769 O 3 PET O11 OBL -0.520000 15.9990 0 2770 O 3 PET O12 OSL -0.340000 15.9990 0 2771 O 3 PET C3 CTL2 -0.050000 12.0110 0 2772 O 3 PET H31 HAL2 0.090000 1.0080 0 2773 O 3 PET H32 HAL2 0.090000 1.0080 0 2774 O 3 PET CZ CAP 0.100000 12.0110 0 2775 O 3 PET C2 CL 0.630000 12.0110 0 2776 O 3 PET O21 OBL -0.520000 15.9990 0 2777 O 3 PET O22 OSL -0.340000 15.9990 0 2778 O 3 PET C4 CTL2 -0.050000 12.0110 0 2779 O 3 PET H41 HAL2 0.090000 1.0080 0 2780 O 3 PET H42 HAL2 0.090000 1.0080 0 2781 O 4 PET CD1 CAP -0.115000 12.0110 0 2782 O 4 PET HD1 HP 0.115000 1.0080 0 2783 O 4 PET CE1 CAP -0.115000 12.0110 0 2784 O 4 PET HE1 HP 0.115000 1.0080 0 2785 O 4 PET CD2 CAP -0.115000 12.0110 0 2786 O 4 PET HD2 HP 0.115000 1.0080 0 2787 O 4 PET CE2 CAP -0.115000 12.0110 0 2788 O 4 PET HE2 HP 0.115000 1.0080 0 2789 O 4 PET CG CAP 0.100000 12.0110 0 2790 O 4 PET C1 CL 0.630000 12.0110 0 2791 O 4 PET O11 OBL -0.520000 15.9990 0 2792 O 4 PET O12 OSL -0.340000 15.9990 0 2793 O 4 PET C3 CTL2 -0.050000 12.0110 0 2794 O 4 PET H31 HAL2 0.090000 1.0080 0 2795 O 4 PET H32 HAL2 0.090000 1.0080 0 2796 O 4 PET CZ CAP 0.100000 12.0110 0 2797 O 4 PET C2 CL 0.630000 12.0110 0 2798 O 4 PET O21 OBL -0.520000 15.9990 0 2799 O 4 PET O22 OSL -0.340000 15.9990 0 2800 O 4 PET C4 CTL2 -0.050000 12.0110 0 2801 O 4 PET H41 HAL2 0.090000 1.0080 0 2802 O 4 PET H42 HAL2 0.090000 1.0080 0 2803 O 5 PET CD1 CAP -0.115000 12.0110 0 2804 O 5 PET HD1 HP 0.115000 1.0080 0 2805 O 5 PET CE1 CAP -0.115000 12.0110 0 2806 O 5 PET HE1 HP 0.115000 1.0080 0 2807 O 5 PET CD2 CAP -0.115000 12.0110 0 2808 O 5 PET HD2 HP 0.115000 1.0080 0 2809 O 5 PET CE2 CAP -0.115000 12.0110 0 2810 O 5 PET HE2 HP 0.115000 1.0080 0 2811 O 5 PET CG CAP 0.100000 12.0110 0 2812 O 5 PET C1 CL 0.630000 12.0110 0 2813 O 5 PET O11 OBL -0.520000 15.9990 0 2814 O 5 PET O12 OSL -0.340000 15.9990 0 2815 O 5 PET C3 CTL2 -0.050000 12.0110 0 2816 O 5 PET H31 HAL2 0.090000 1.0080 0 2817 O 5 PET H32 HAL2 0.090000 1.0080 0 2818 O 5 PET CZ CAP 0.100000 12.0110 0 2819 O 5 PET C2 CL 0.630000 12.0110 0 2820 O 5 PET O21 OBL -0.520000 15.9990 0 2821 O 5 PET O22 OSL -0.340000 15.9990 0 2822 O 5 PET C4 CTL2 -0.050000 12.0110 0 2823 O 5 PET H41 HAL2 0.090000 1.0080 0 2824 O 5 PET H42 HAL2 0.090000 1.0080 0 2825 O 6 PET CD1 CAP -0.115000 12.0110 0 2826 O 6 PET HD1 HP 0.115000 1.0080 0 2827 O 6 PET CE1 CAP -0.115000 12.0110 0 2828 O 6 PET HE1 HP 0.115000 1.0080 0 2829 O 6 PET CD2 CAP -0.115000 12.0110 0 2830 O 6 PET HD2 HP 0.115000 1.0080 0 2831 O 6 PET CE2 CAP -0.115000 12.0110 0 2832 O 6 PET HE2 HP 0.115000 1.0080 0 2833 O 6 PET CG CAP 0.100000 12.0110 0 2834 O 6 PET C1 CL 0.630000 12.0110 0 2835 O 6 PET O11 OBL -0.520000 15.9990 0 2836 O 6 PET O12 OSL -0.340000 15.9990 0 2837 O 6 PET C3 CTL2 -0.050000 12.0110 0 2838 O 6 PET H31 HAL2 0.090000 1.0080 0 2839 O 6 PET H32 HAL2 0.090000 1.0080 0 2840 O 6 PET CZ CAP 0.100000 12.0110 0 2841 O 6 PET C2 CL 0.630000 12.0110 0 2842 O 6 PET O21 OBL -0.520000 15.9990 0 2843 O 6 PET O22 OSL -0.340000 15.9990 0 2844 O 6 PET C4 CTL2 -0.050000 12.0110 0 2845 O 6 PET H41 HAL2 0.090000 1.0080 0 2846 O 6 PET H42 HAL2 0.090000 1.0080 0 2847 O 7 PET CD1 CAP -0.115000 12.0110 0 2848 O 7 PET HD1 HP 0.115000 1.0080 0 2849 O 7 PET CE1 CAP -0.115000 12.0110 0 2850 O 7 PET HE1 HP 0.115000 1.0080 0 2851 O 7 PET CD2 CAP -0.115000 12.0110 0 2852 O 7 PET HD2 HP 0.115000 1.0080 0 2853 O 7 PET CE2 CAP -0.115000 12.0110 0 2854 O 7 PET HE2 HP 0.115000 1.0080 0 2855 O 7 PET CG CAP 0.100000 12.0110 0 2856 O 7 PET C1 CL 0.630000 12.0110 0 2857 O 7 PET O11 OBL -0.520000 15.9990 0 2858 O 7 PET O12 OSL -0.340000 15.9990 0 2859 O 7 PET C3 CTL2 -0.050000 12.0110 0 2860 O 7 PET H31 HAL2 0.090000 1.0080 0 2861 O 7 PET H32 HAL2 0.090000 1.0080 0 2862 O 7 PET CZ CAP 0.100000 12.0110 0 2863 O 7 PET C2 CL 0.630000 12.0110 0 2864 O 7 PET O21 OBL -0.520000 15.9990 0 2865 O 7 PET O22 OSL -0.340000 15.9990 0 2866 O 7 PET C4 CTL2 -0.050000 12.0110 0 2867 O 7 PET H41 HAL2 0.090000 1.0080 0 2868 O 7 PET H42 HAL2 0.090000 1.0080 0 2869 O 8 PET CD1 CAP -0.115000 12.0110 0 2870 O 8 PET HD1 HP 0.115000 1.0080 0 2871 O 8 PET CE1 CAP -0.115000 12.0110 0 2872 O 8 PET HE1 HP 0.115000 1.0080 0 2873 O 8 PET CD2 CAP -0.115000 12.0110 0 2874 O 8 PET HD2 HP 0.115000 1.0080 0 2875 O 8 PET CE2 CAP -0.115000 12.0110 0 2876 O 8 PET HE2 HP 0.115000 1.0080 0 2877 O 8 PET CG CAP 0.100000 12.0110 0 2878 O 8 PET C1 CL 0.630000 12.0110 0 2879 O 8 PET O11 OBL -0.520000 15.9990 0 2880 O 8 PET O12 OSL -0.340000 15.9990 0 2881 O 8 PET C3 CTL2 -0.050000 12.0110 0 2882 O 8 PET H31 HAL2 0.090000 1.0080 0 2883 O 8 PET H32 HAL2 0.090000 1.0080 0 2884 O 8 PET CZ CAP 0.100000 12.0110 0 2885 O 8 PET C2 CL 0.630000 12.0110 0 2886 O 8 PET O21 OBL -0.520000 15.9990 0 2887 O 8 PET O22 OSL -0.340000 15.9990 0 2888 O 8 PET C4 CTL2 -0.050000 12.0110 0 2889 O 8 PET H41 HAL2 0.090000 1.0080 0 2890 O 8 PET H42 HAL2 0.090000 1.0080 0 2891 O 9 PET C1 CD 0.750000 12.0110 0 2892 O 9 PET O11 OB -0.550000 15.9990 0 2893 O 9 PET O12 OH1 -0.610000 15.9990 0 2894 O 9 PET CG CAP -0.030000 12.0110 0 2895 O 9 PET H12 H 0.440000 1.0080 0 2896 O 9 PET CD1 CAP -0.115000 12.0110 0 2897 O 9 PET HD1 HP 0.115000 1.0080 0 2898 O 9 PET CE1 CAP -0.115000 12.0110 0 2899 O 9 PET HE1 HP 0.115000 1.0080 0 2900 O 9 PET CD2 CAP -0.115000 12.0110 0 2901 O 9 PET HD2 HP 0.115000 1.0080 0 2902 O 9 PET CE2 CAP -0.115000 12.0110 0 2903 O 9 PET HE2 HP 0.115000 1.0080 0 2904 O 9 PET CZ CAP 0.100000 12.0110 0 2905 O 9 PET C2 CL 0.630000 12.0110 0 2906 O 9 PET O21 OBL -0.520000 15.9990 0 2907 O 9 PET O22 OSL -0.340000 15.9990 0 2908 O 9 PET C4 CTL2 -0.050000 12.0110 0 2909 O 9 PET H41 HAL2 0.090000 1.0080 0 2910 O 9 PET H42 HAL2 0.090000 1.0080 0 2911 P 1 PET C2 CD 0.750000 12.0110 0 2912 P 1 PET O21 OB -0.550000 15.9990 0 2913 P 1 PET O22 OH1 -0.610000 15.9990 0 2914 P 1 PET CZ CAP -0.030000 12.0110 0 2915 P 1 PET H22 H 0.440000 1.0080 0 2916 P 1 PET CD1 CAP -0.115000 12.0110 0 2917 P 1 PET HD1 HP 0.115000 1.0080 0 2918 P 1 PET CE1 CAP -0.115000 12.0110 0 2919 P 1 PET HE1 HP 0.115000 1.0080 0 2920 P 1 PET CD2 CAP -0.115000 12.0110 0 2921 P 1 PET HD2 HP 0.115000 1.0080 0 2922 P 1 PET CE2 CAP -0.115000 12.0110 0 2923 P 1 PET HE2 HP 0.115000 1.0080 0 2924 P 1 PET CG CAP 0.100000 12.0110 0 2925 P 1 PET C1 CL 0.630000 12.0110 0 2926 P 1 PET O11 OBL -0.520000 15.9990 0 2927 P 1 PET O12 OSL -0.340000 15.9990 0 2928 P 1 PET C3 CTL2 -0.050000 12.0110 0 2929 P 1 PET H31 HAL2 0.090000 1.0080 0 2930 P 1 PET H32 HAL2 0.090000 1.0080 0 2931 P 2 PET CD1 CAP -0.115000 12.0110 0 2932 P 2 PET HD1 HP 0.115000 1.0080 0 2933 P 2 PET CE1 CAP -0.115000 12.0110 0 2934 P 2 PET HE1 HP 0.115000 1.0080 0 2935 P 2 PET CD2 CAP -0.115000 12.0110 0 2936 P 2 PET HD2 HP 0.115000 1.0080 0 2937 P 2 PET CE2 CAP -0.115000 12.0110 0 2938 P 2 PET HE2 HP 0.115000 1.0080 0 2939 P 2 PET CG CAP 0.100000 12.0110 0 2940 P 2 PET C1 CL 0.630000 12.0110 0 2941 P 2 PET O11 OBL -0.520000 15.9990 0 2942 P 2 PET O12 OSL -0.340000 15.9990 0 2943 P 2 PET C3 CTL2 -0.050000 12.0110 0 2944 P 2 PET H31 HAL2 0.090000 1.0080 0 2945 P 2 PET H32 HAL2 0.090000 1.0080 0 2946 P 2 PET CZ CAP 0.100000 12.0110 0 2947 P 2 PET C2 CL 0.630000 12.0110 0 2948 P 2 PET O21 OBL -0.520000 15.9990 0 2949 P 2 PET O22 OSL -0.340000 15.9990 0 2950 P 2 PET C4 CTL2 -0.050000 12.0110 0 2951 P 2 PET H41 HAL2 0.090000 1.0080 0 2952 P 2 PET H42 HAL2 0.090000 1.0080 0 2953 P 3 PET CD1 CAP -0.115000 12.0110 0 2954 P 3 PET HD1 HP 0.115000 1.0080 0 2955 P 3 PET CE1 CAP -0.115000 12.0110 0 2956 P 3 PET HE1 HP 0.115000 1.0080 0 2957 P 3 PET CD2 CAP -0.115000 12.0110 0 2958 P 3 PET HD2 HP 0.115000 1.0080 0 2959 P 3 PET CE2 CAP -0.115000 12.0110 0 2960 P 3 PET HE2 HP 0.115000 1.0080 0 2961 P 3 PET CG CAP 0.100000 12.0110 0 2962 P 3 PET C1 CL 0.630000 12.0110 0 2963 P 3 PET O11 OBL -0.520000 15.9990 0 2964 P 3 PET O12 OSL -0.340000 15.9990 0 2965 P 3 PET C3 CTL2 -0.050000 12.0110 0 2966 P 3 PET H31 HAL2 0.090000 1.0080 0 2967 P 3 PET H32 HAL2 0.090000 1.0080 0 2968 P 3 PET CZ CAP 0.100000 12.0110 0 2969 P 3 PET C2 CL 0.630000 12.0110 0 2970 P 3 PET O21 OBL -0.520000 15.9990 0 2971 P 3 PET O22 OSL -0.340000 15.9990 0 2972 P 3 PET C4 CTL2 -0.050000 12.0110 0 2973 P 3 PET H41 HAL2 0.090000 1.0080 0 2974 P 3 PET H42 HAL2 0.090000 1.0080 0 2975 P 4 PET CD1 CAP -0.115000 12.0110 0 2976 P 4 PET HD1 HP 0.115000 1.0080 0 2977 P 4 PET CE1 CAP -0.115000 12.0110 0 2978 P 4 PET HE1 HP 0.115000 1.0080 0 2979 P 4 PET CD2 CAP -0.115000 12.0110 0 2980 P 4 PET HD2 HP 0.115000 1.0080 0 2981 P 4 PET CE2 CAP -0.115000 12.0110 0 2982 P 4 PET HE2 HP 0.115000 1.0080 0 2983 P 4 PET CG CAP 0.100000 12.0110 0 2984 P 4 PET C1 CL 0.630000 12.0110 0 2985 P 4 PET O11 OBL -0.520000 15.9990 0 2986 P 4 PET O12 OSL -0.340000 15.9990 0 2987 P 4 PET C3 CTL2 -0.050000 12.0110 0 2988 P 4 PET H31 HAL2 0.090000 1.0080 0 2989 P 4 PET H32 HAL2 0.090000 1.0080 0 2990 P 4 PET CZ CAP 0.100000 12.0110 0 2991 P 4 PET C2 CL 0.630000 12.0110 0 2992 P 4 PET O21 OBL -0.520000 15.9990 0 2993 P 4 PET O22 OSL -0.340000 15.9990 0 2994 P 4 PET C4 CTL2 -0.050000 12.0110 0 2995 P 4 PET H41 HAL2 0.090000 1.0080 0 2996 P 4 PET H42 HAL2 0.090000 1.0080 0 2997 P 5 PET CD1 CAP -0.115000 12.0110 0 2998 P 5 PET HD1 HP 0.115000 1.0080 0 2999 P 5 PET CE1 CAP -0.115000 12.0110 0 3000 P 5 PET HE1 HP 0.115000 1.0080 0 3001 P 5 PET CD2 CAP -0.115000 12.0110 0 3002 P 5 PET HD2 HP 0.115000 1.0080 0 3003 P 5 PET CE2 CAP -0.115000 12.0110 0 3004 P 5 PET HE2 HP 0.115000 1.0080 0 3005 P 5 PET CG CAP 0.100000 12.0110 0 3006 P 5 PET C1 CL 0.630000 12.0110 0 3007 P 5 PET O11 OBL -0.520000 15.9990 0 3008 P 5 PET O12 OSL -0.340000 15.9990 0 3009 P 5 PET C3 CTL2 -0.050000 12.0110 0 3010 P 5 PET H31 HAL2 0.090000 1.0080 0 3011 P 5 PET H32 HAL2 0.090000 1.0080 0 3012 P 5 PET CZ CAP 0.100000 12.0110 0 3013 P 5 PET C2 CL 0.630000 12.0110 0 3014 P 5 PET O21 OBL -0.520000 15.9990 0 3015 P 5 PET O22 OSL -0.340000 15.9990 0 3016 P 5 PET C4 CTL2 -0.050000 12.0110 0 3017 P 5 PET H41 HAL2 0.090000 1.0080 0 3018 P 5 PET H42 HAL2 0.090000 1.0080 0 3019 P 6 PET CD1 CAP -0.115000 12.0110 0 3020 P 6 PET HD1 HP 0.115000 1.0080 0 3021 P 6 PET CE1 CAP -0.115000 12.0110 0 3022 P 6 PET HE1 HP 0.115000 1.0080 0 3023 P 6 PET CD2 CAP -0.115000 12.0110 0 3024 P 6 PET HD2 HP 0.115000 1.0080 0 3025 P 6 PET CE2 CAP -0.115000 12.0110 0 3026 P 6 PET HE2 HP 0.115000 1.0080 0 3027 P 6 PET CG CAP 0.100000 12.0110 0 3028 P 6 PET C1 CL 0.630000 12.0110 0 3029 P 6 PET O11 OBL -0.520000 15.9990 0 3030 P 6 PET O12 OSL -0.340000 15.9990 0 3031 P 6 PET C3 CTL2 -0.050000 12.0110 0 3032 P 6 PET H31 HAL2 0.090000 1.0080 0 3033 P 6 PET H32 HAL2 0.090000 1.0080 0 3034 P 6 PET CZ CAP 0.100000 12.0110 0 3035 P 6 PET C2 CL 0.630000 12.0110 0 3036 P 6 PET O21 OBL -0.520000 15.9990 0 3037 P 6 PET O22 OSL -0.340000 15.9990 0 3038 P 6 PET C4 CTL2 -0.050000 12.0110 0 3039 P 6 PET H41 HAL2 0.090000 1.0080 0 3040 P 6 PET H42 HAL2 0.090000 1.0080 0 3041 P 7 PET CD1 CAP -0.115000 12.0110 0 3042 P 7 PET HD1 HP 0.115000 1.0080 0 3043 P 7 PET CE1 CAP -0.115000 12.0110 0 3044 P 7 PET HE1 HP 0.115000 1.0080 0 3045 P 7 PET CD2 CAP -0.115000 12.0110 0 3046 P 7 PET HD2 HP 0.115000 1.0080 0 3047 P 7 PET CE2 CAP -0.115000 12.0110 0 3048 P 7 PET HE2 HP 0.115000 1.0080 0 3049 P 7 PET CG CAP 0.100000 12.0110 0 3050 P 7 PET C1 CL 0.630000 12.0110 0 3051 P 7 PET O11 OBL -0.520000 15.9990 0 3052 P 7 PET O12 OSL -0.340000 15.9990 0 3053 P 7 PET C3 CTL2 -0.050000 12.0110 0 3054 P 7 PET H31 HAL2 0.090000 1.0080 0 3055 P 7 PET H32 HAL2 0.090000 1.0080 0 3056 P 7 PET CZ CAP 0.100000 12.0110 0 3057 P 7 PET C2 CL 0.630000 12.0110 0 3058 P 7 PET O21 OBL -0.520000 15.9990 0 3059 P 7 PET O22 OSL -0.340000 15.9990 0 3060 P 7 PET C4 CTL2 -0.050000 12.0110 0 3061 P 7 PET H41 HAL2 0.090000 1.0080 0 3062 P 7 PET H42 HAL2 0.090000 1.0080 0 3063 P 8 PET CD1 CAP -0.115000 12.0110 0 3064 P 8 PET HD1 HP 0.115000 1.0080 0 3065 P 8 PET CE1 CAP -0.115000 12.0110 0 3066 P 8 PET HE1 HP 0.115000 1.0080 0 3067 P 8 PET CD2 CAP -0.115000 12.0110 0 3068 P 8 PET HD2 HP 0.115000 1.0080 0 3069 P 8 PET CE2 CAP -0.115000 12.0110 0 3070 P 8 PET HE2 HP 0.115000 1.0080 0 3071 P 8 PET CG CAP 0.100000 12.0110 0 3072 P 8 PET C1 CL 0.630000 12.0110 0 3073 P 8 PET O11 OBL -0.520000 15.9990 0 3074 P 8 PET O12 OSL -0.340000 15.9990 0 3075 P 8 PET C3 CTL2 -0.050000 12.0110 0 3076 P 8 PET H31 HAL2 0.090000 1.0080 0 3077 P 8 PET H32 HAL2 0.090000 1.0080 0 3078 P 8 PET CZ CAP 0.100000 12.0110 0 3079 P 8 PET C2 CL 0.630000 12.0110 0 3080 P 8 PET O21 OBL -0.520000 15.9990 0 3081 P 8 PET O22 OSL -0.340000 15.9990 0 3082 P 8 PET C4 CTL2 -0.050000 12.0110 0 3083 P 8 PET H41 HAL2 0.090000 1.0080 0 3084 P 8 PET H42 HAL2 0.090000 1.0080 0 3085 P 9 PET C1 CD 0.750000 12.0110 0 3086 P 9 PET O11 OB -0.550000 15.9990 0 3087 P 9 PET O12 OH1 -0.610000 15.9990 0 3088 P 9 PET CG CAP -0.030000 12.0110 0 3089 P 9 PET H12 H 0.440000 1.0080 0 3090 P 9 PET CD1 CAP -0.115000 12.0110 0 3091 P 9 PET HD1 HP 0.115000 1.0080 0 3092 P 9 PET CE1 CAP -0.115000 12.0110 0 3093 P 9 PET HE1 HP 0.115000 1.0080 0 3094 P 9 PET CD2 CAP -0.115000 12.0110 0 3095 P 9 PET HD2 HP 0.115000 1.0080 0 3096 P 9 PET CE2 CAP -0.115000 12.0110 0 3097 P 9 PET HE2 HP 0.115000 1.0080 0 3098 P 9 PET CZ CAP 0.100000 12.0110 0 3099 P 9 PET C2 CL 0.630000 12.0110 0 3100 P 9 PET O21 OBL -0.520000 15.9990 0 3101 P 9 PET O22 OSL -0.340000 15.9990 0 3102 P 9 PET C4 CTL2 -0.050000 12.0110 0 3103 P 9 PET H41 HAL2 0.090000 1.0080 0 3104 P 9 PET H42 HAL2 0.090000 1.0080 0 3105 Q 1 PET C2 CD 0.750000 12.0110 0 3106 Q 1 PET O21 OB -0.550000 15.9990 0 3107 Q 1 PET O22 OH1 -0.610000 15.9990 0 3108 Q 1 PET CZ CAP -0.030000 12.0110 0 3109 Q 1 PET H22 H 0.440000 1.0080 0 3110 Q 1 PET CD1 CAP -0.115000 12.0110 0 3111 Q 1 PET HD1 HP 0.115000 1.0080 0 3112 Q 1 PET CE1 CAP -0.115000 12.0110 0 3113 Q 1 PET HE1 HP 0.115000 1.0080 0 3114 Q 1 PET CD2 CAP -0.115000 12.0110 0 3115 Q 1 PET HD2 HP 0.115000 1.0080 0 3116 Q 1 PET CE2 CAP -0.115000 12.0110 0 3117 Q 1 PET HE2 HP 0.115000 1.0080 0 3118 Q 1 PET CG CAP 0.100000 12.0110 0 3119 Q 1 PET C1 CL 0.630000 12.0110 0 3120 Q 1 PET O11 OBL -0.520000 15.9990 0 3121 Q 1 PET O12 OSL -0.340000 15.9990 0 3122 Q 1 PET C3 CTL2 -0.050000 12.0110 0 3123 Q 1 PET H31 HAL2 0.090000 1.0080 0 3124 Q 1 PET H32 HAL2 0.090000 1.0080 0 3125 Q 2 PET CD1 CAP -0.115000 12.0110 0 3126 Q 2 PET HD1 HP 0.115000 1.0080 0 3127 Q 2 PET CE1 CAP -0.115000 12.0110 0 3128 Q 2 PET HE1 HP 0.115000 1.0080 0 3129 Q 2 PET CD2 CAP -0.115000 12.0110 0 3130 Q 2 PET HD2 HP 0.115000 1.0080 0 3131 Q 2 PET CE2 CAP -0.115000 12.0110 0 3132 Q 2 PET HE2 HP 0.115000 1.0080 0 3133 Q 2 PET CG CAP 0.100000 12.0110 0 3134 Q 2 PET C1 CL 0.630000 12.0110 0 3135 Q 2 PET O11 OBL -0.520000 15.9990 0 3136 Q 2 PET O12 OSL -0.340000 15.9990 0 3137 Q 2 PET C3 CTL2 -0.050000 12.0110 0 3138 Q 2 PET H31 HAL2 0.090000 1.0080 0 3139 Q 2 PET H32 HAL2 0.090000 1.0080 0 3140 Q 2 PET CZ CAP 0.100000 12.0110 0 3141 Q 2 PET C2 CL 0.630000 12.0110 0 3142 Q 2 PET O21 OBL -0.520000 15.9990 0 3143 Q 2 PET O22 OSL -0.340000 15.9990 0 3144 Q 2 PET C4 CTL2 -0.050000 12.0110 0 3145 Q 2 PET H41 HAL2 0.090000 1.0080 0 3146 Q 2 PET H42 HAL2 0.090000 1.0080 0 3147 Q 3 PET CD1 CAP -0.115000 12.0110 0 3148 Q 3 PET HD1 HP 0.115000 1.0080 0 3149 Q 3 PET CE1 CAP -0.115000 12.0110 0 3150 Q 3 PET HE1 HP 0.115000 1.0080 0 3151 Q 3 PET CD2 CAP -0.115000 12.0110 0 3152 Q 3 PET HD2 HP 0.115000 1.0080 0 3153 Q 3 PET CE2 CAP -0.115000 12.0110 0 3154 Q 3 PET HE2 HP 0.115000 1.0080 0 3155 Q 3 PET CG CAP 0.100000 12.0110 0 3156 Q 3 PET C1 CL 0.630000 12.0110 0 3157 Q 3 PET O11 OBL -0.520000 15.9990 0 3158 Q 3 PET O12 OSL -0.340000 15.9990 0 3159 Q 3 PET C3 CTL2 -0.050000 12.0110 0 3160 Q 3 PET H31 HAL2 0.090000 1.0080 0 3161 Q 3 PET H32 HAL2 0.090000 1.0080 0 3162 Q 3 PET CZ CAP 0.100000 12.0110 0 3163 Q 3 PET C2 CL 0.630000 12.0110 0 3164 Q 3 PET O21 OBL -0.520000 15.9990 0 3165 Q 3 PET O22 OSL -0.340000 15.9990 0 3166 Q 3 PET C4 CTL2 -0.050000 12.0110 0 3167 Q 3 PET H41 HAL2 0.090000 1.0080 0 3168 Q 3 PET H42 HAL2 0.090000 1.0080 0 3169 Q 4 PET CD1 CAP -0.115000 12.0110 0 3170 Q 4 PET HD1 HP 0.115000 1.0080 0 3171 Q 4 PET CE1 CAP -0.115000 12.0110 0 3172 Q 4 PET HE1 HP 0.115000 1.0080 0 3173 Q 4 PET CD2 CAP -0.115000 12.0110 0 3174 Q 4 PET HD2 HP 0.115000 1.0080 0 3175 Q 4 PET CE2 CAP -0.115000 12.0110 0 3176 Q 4 PET HE2 HP 0.115000 1.0080 0 3177 Q 4 PET CG CAP 0.100000 12.0110 0 3178 Q 4 PET C1 CL 0.630000 12.0110 0 3179 Q 4 PET O11 OBL -0.520000 15.9990 0 3180 Q 4 PET O12 OSL -0.340000 15.9990 0 3181 Q 4 PET C3 CTL2 -0.050000 12.0110 0 3182 Q 4 PET H31 HAL2 0.090000 1.0080 0 3183 Q 4 PET H32 HAL2 0.090000 1.0080 0 3184 Q 4 PET CZ CAP 0.100000 12.0110 0 3185 Q 4 PET C2 CL 0.630000 12.0110 0 3186 Q 4 PET O21 OBL -0.520000 15.9990 0 3187 Q 4 PET O22 OSL -0.340000 15.9990 0 3188 Q 4 PET C4 CTL2 -0.050000 12.0110 0 3189 Q 4 PET H41 HAL2 0.090000 1.0080 0 3190 Q 4 PET H42 HAL2 0.090000 1.0080 0 3191 Q 5 PET CD1 CAP -0.115000 12.0110 0 3192 Q 5 PET HD1 HP 0.115000 1.0080 0 3193 Q 5 PET CE1 CAP -0.115000 12.0110 0 3194 Q 5 PET HE1 HP 0.115000 1.0080 0 3195 Q 5 PET CD2 CAP -0.115000 12.0110 0 3196 Q 5 PET HD2 HP 0.115000 1.0080 0 3197 Q 5 PET CE2 CAP -0.115000 12.0110 0 3198 Q 5 PET HE2 HP 0.115000 1.0080 0 3199 Q 5 PET CG CAP 0.100000 12.0110 0 3200 Q 5 PET C1 CL 0.630000 12.0110 0 3201 Q 5 PET O11 OBL -0.520000 15.9990 0 3202 Q 5 PET O12 OSL -0.340000 15.9990 0 3203 Q 5 PET C3 CTL2 -0.050000 12.0110 0 3204 Q 5 PET H31 HAL2 0.090000 1.0080 0 3205 Q 5 PET H32 HAL2 0.090000 1.0080 0 3206 Q 5 PET CZ CAP 0.100000 12.0110 0 3207 Q 5 PET C2 CL 0.630000 12.0110 0 3208 Q 5 PET O21 OBL -0.520000 15.9990 0 3209 Q 5 PET O22 OSL -0.340000 15.9990 0 3210 Q 5 PET C4 CTL2 -0.050000 12.0110 0 3211 Q 5 PET H41 HAL2 0.090000 1.0080 0 3212 Q 5 PET H42 HAL2 0.090000 1.0080 0 3213 Q 6 PET CD1 CAP -0.115000 12.0110 0 3214 Q 6 PET HD1 HP 0.115000 1.0080 0 3215 Q 6 PET CE1 CAP -0.115000 12.0110 0 3216 Q 6 PET HE1 HP 0.115000 1.0080 0 3217 Q 6 PET CD2 CAP -0.115000 12.0110 0 3218 Q 6 PET HD2 HP 0.115000 1.0080 0 3219 Q 6 PET CE2 CAP -0.115000 12.0110 0 3220 Q 6 PET HE2 HP 0.115000 1.0080 0 3221 Q 6 PET CG CAP 0.100000 12.0110 0 3222 Q 6 PET C1 CL 0.630000 12.0110 0 3223 Q 6 PET O11 OBL -0.520000 15.9990 0 3224 Q 6 PET O12 OSL -0.340000 15.9990 0 3225 Q 6 PET C3 CTL2 -0.050000 12.0110 0 3226 Q 6 PET H31 HAL2 0.090000 1.0080 0 3227 Q 6 PET H32 HAL2 0.090000 1.0080 0 3228 Q 6 PET CZ CAP 0.100000 12.0110 0 3229 Q 6 PET C2 CL 0.630000 12.0110 0 3230 Q 6 PET O21 OBL -0.520000 15.9990 0 3231 Q 6 PET O22 OSL -0.340000 15.9990 0 3232 Q 6 PET C4 CTL2 -0.050000 12.0110 0 3233 Q 6 PET H41 HAL2 0.090000 1.0080 0 3234 Q 6 PET H42 HAL2 0.090000 1.0080 0 3235 Q 7 PET CD1 CAP -0.115000 12.0110 0 3236 Q 7 PET HD1 HP 0.115000 1.0080 0 3237 Q 7 PET CE1 CAP -0.115000 12.0110 0 3238 Q 7 PET HE1 HP 0.115000 1.0080 0 3239 Q 7 PET CD2 CAP -0.115000 12.0110 0 3240 Q 7 PET HD2 HP 0.115000 1.0080 0 3241 Q 7 PET CE2 CAP -0.115000 12.0110 0 3242 Q 7 PET HE2 HP 0.115000 1.0080 0 3243 Q 7 PET CG CAP 0.100000 12.0110 0 3244 Q 7 PET C1 CL 0.630000 12.0110 0 3245 Q 7 PET O11 OBL -0.520000 15.9990 0 3246 Q 7 PET O12 OSL -0.340000 15.9990 0 3247 Q 7 PET C3 CTL2 -0.050000 12.0110 0 3248 Q 7 PET H31 HAL2 0.090000 1.0080 0 3249 Q 7 PET H32 HAL2 0.090000 1.0080 0 3250 Q 7 PET CZ CAP 0.100000 12.0110 0 3251 Q 7 PET C2 CL 0.630000 12.0110 0 3252 Q 7 PET O21 OBL -0.520000 15.9990 0 3253 Q 7 PET O22 OSL -0.340000 15.9990 0 3254 Q 7 PET C4 CTL2 -0.050000 12.0110 0 3255 Q 7 PET H41 HAL2 0.090000 1.0080 0 3256 Q 7 PET H42 HAL2 0.090000 1.0080 0 3257 Q 8 PET CD1 CAP -0.115000 12.0110 0 3258 Q 8 PET HD1 HP 0.115000 1.0080 0 3259 Q 8 PET CE1 CAP -0.115000 12.0110 0 3260 Q 8 PET HE1 HP 0.115000 1.0080 0 3261 Q 8 PET CD2 CAP -0.115000 12.0110 0 3262 Q 8 PET HD2 HP 0.115000 1.0080 0 3263 Q 8 PET CE2 CAP -0.115000 12.0110 0 3264 Q 8 PET HE2 HP 0.115000 1.0080 0 3265 Q 8 PET CG CAP 0.100000 12.0110 0 3266 Q 8 PET C1 CL 0.630000 12.0110 0 3267 Q 8 PET O11 OBL -0.520000 15.9990 0 3268 Q 8 PET O12 OSL -0.340000 15.9990 0 3269 Q 8 PET C3 CTL2 -0.050000 12.0110 0 3270 Q 8 PET H31 HAL2 0.090000 1.0080 0 3271 Q 8 PET H32 HAL2 0.090000 1.0080 0 3272 Q 8 PET CZ CAP 0.100000 12.0110 0 3273 Q 8 PET C2 CL 0.630000 12.0110 0 3274 Q 8 PET O21 OBL -0.520000 15.9990 0 3275 Q 8 PET O22 OSL -0.340000 15.9990 0 3276 Q 8 PET C4 CTL2 -0.050000 12.0110 0 3277 Q 8 PET H41 HAL2 0.090000 1.0080 0 3278 Q 8 PET H42 HAL2 0.090000 1.0080 0 3279 Q 9 PET C1 CD 0.750000 12.0110 0 3280 Q 9 PET O11 OB -0.550000 15.9990 0 3281 Q 9 PET O12 OH1 -0.610000 15.9990 0 3282 Q 9 PET CG CAP -0.030000 12.0110 0 3283 Q 9 PET H12 H 0.440000 1.0080 0 3284 Q 9 PET CD1 CAP -0.115000 12.0110 0 3285 Q 9 PET HD1 HP 0.115000 1.0080 0 3286 Q 9 PET CE1 CAP -0.115000 12.0110 0 3287 Q 9 PET HE1 HP 0.115000 1.0080 0 3288 Q 9 PET CD2 CAP -0.115000 12.0110 0 3289 Q 9 PET HD2 HP 0.115000 1.0080 0 3290 Q 9 PET CE2 CAP -0.115000 12.0110 0 3291 Q 9 PET HE2 HP 0.115000 1.0080 0 3292 Q 9 PET CZ CAP 0.100000 12.0110 0 3293 Q 9 PET C2 CL 0.630000 12.0110 0 3294 Q 9 PET O21 OBL -0.520000 15.9990 0 3295 Q 9 PET O22 OSL -0.340000 15.9990 0 3296 Q 9 PET C4 CTL2 -0.050000 12.0110 0 3297 Q 9 PET H41 HAL2 0.090000 1.0080 0 3298 Q 9 PET H42 HAL2 0.090000 1.0080 0 3299 R 1 PET C2 CD 0.750000 12.0110 0 3300 R 1 PET O21 OB -0.550000 15.9990 0 3301 R 1 PET O22 OH1 -0.610000 15.9990 0 3302 R 1 PET CZ CAP -0.030000 12.0110 0 3303 R 1 PET H22 H 0.440000 1.0080 0 3304 R 1 PET CD1 CAP -0.115000 12.0110 0 3305 R 1 PET HD1 HP 0.115000 1.0080 0 3306 R 1 PET CE1 CAP -0.115000 12.0110 0 3307 R 1 PET HE1 HP 0.115000 1.0080 0 3308 R 1 PET CD2 CAP -0.115000 12.0110 0 3309 R 1 PET HD2 HP 0.115000 1.0080 0 3310 R 1 PET CE2 CAP -0.115000 12.0110 0 3311 R 1 PET HE2 HP 0.115000 1.0080 0 3312 R 1 PET CG CAP 0.100000 12.0110 0 3313 R 1 PET C1 CL 0.630000 12.0110 0 3314 R 1 PET O11 OBL -0.520000 15.9990 0 3315 R 1 PET O12 OSL -0.340000 15.9990 0 3316 R 1 PET C3 CTL2 -0.050000 12.0110 0 3317 R 1 PET H31 HAL2 0.090000 1.0080 0 3318 R 1 PET H32 HAL2 0.090000 1.0080 0 3319 R 2 PET CD1 CAP -0.115000 12.0110 0 3320 R 2 PET HD1 HP 0.115000 1.0080 0 3321 R 2 PET CE1 CAP -0.115000 12.0110 0 3322 R 2 PET HE1 HP 0.115000 1.0080 0 3323 R 2 PET CD2 CAP -0.115000 12.0110 0 3324 R 2 PET HD2 HP 0.115000 1.0080 0 3325 R 2 PET CE2 CAP -0.115000 12.0110 0 3326 R 2 PET HE2 HP 0.115000 1.0080 0 3327 R 2 PET CG CAP 0.100000 12.0110 0 3328 R 2 PET C1 CL 0.630000 12.0110 0 3329 R 2 PET O11 OBL -0.520000 15.9990 0 3330 R 2 PET O12 OSL -0.340000 15.9990 0 3331 R 2 PET C3 CTL2 -0.050000 12.0110 0 3332 R 2 PET H31 HAL2 0.090000 1.0080 0 3333 R 2 PET H32 HAL2 0.090000 1.0080 0 3334 R 2 PET CZ CAP 0.100000 12.0110 0 3335 R 2 PET C2 CL 0.630000 12.0110 0 3336 R 2 PET O21 OBL -0.520000 15.9990 0 3337 R 2 PET O22 OSL -0.340000 15.9990 0 3338 R 2 PET C4 CTL2 -0.050000 12.0110 0 3339 R 2 PET H41 HAL2 0.090000 1.0080 0 3340 R 2 PET H42 HAL2 0.090000 1.0080 0 3341 R 3 PET CD1 CAP -0.115000 12.0110 0 3342 R 3 PET HD1 HP 0.115000 1.0080 0 3343 R 3 PET CE1 CAP -0.115000 12.0110 0 3344 R 3 PET HE1 HP 0.115000 1.0080 0 3345 R 3 PET CD2 CAP -0.115000 12.0110 0 3346 R 3 PET HD2 HP 0.115000 1.0080 0 3347 R 3 PET CE2 CAP -0.115000 12.0110 0 3348 R 3 PET HE2 HP 0.115000 1.0080 0 3349 R 3 PET CG CAP 0.100000 12.0110 0 3350 R 3 PET C1 CL 0.630000 12.0110 0 3351 R 3 PET O11 OBL -0.520000 15.9990 0 3352 R 3 PET O12 OSL -0.340000 15.9990 0 3353 R 3 PET C3 CTL2 -0.050000 12.0110 0 3354 R 3 PET H31 HAL2 0.090000 1.0080 0 3355 R 3 PET H32 HAL2 0.090000 1.0080 0 3356 R 3 PET CZ CAP 0.100000 12.0110 0 3357 R 3 PET C2 CL 0.630000 12.0110 0 3358 R 3 PET O21 OBL -0.520000 15.9990 0 3359 R 3 PET O22 OSL -0.340000 15.9990 0 3360 R 3 PET C4 CTL2 -0.050000 12.0110 0 3361 R 3 PET H41 HAL2 0.090000 1.0080 0 3362 R 3 PET H42 HAL2 0.090000 1.0080 0 3363 R 4 PET CD1 CAP -0.115000 12.0110 0 3364 R 4 PET HD1 HP 0.115000 1.0080 0 3365 R 4 PET CE1 CAP -0.115000 12.0110 0 3366 R 4 PET HE1 HP 0.115000 1.0080 0 3367 R 4 PET CD2 CAP -0.115000 12.0110 0 3368 R 4 PET HD2 HP 0.115000 1.0080 0 3369 R 4 PET CE2 CAP -0.115000 12.0110 0 3370 R 4 PET HE2 HP 0.115000 1.0080 0 3371 R 4 PET CG CAP 0.100000 12.0110 0 3372 R 4 PET C1 CL 0.630000 12.0110 0 3373 R 4 PET O11 OBL -0.520000 15.9990 0 3374 R 4 PET O12 OSL -0.340000 15.9990 0 3375 R 4 PET C3 CTL2 -0.050000 12.0110 0 3376 R 4 PET H31 HAL2 0.090000 1.0080 0 3377 R 4 PET H32 HAL2 0.090000 1.0080 0 3378 R 4 PET CZ CAP 0.100000 12.0110 0 3379 R 4 PET C2 CL 0.630000 12.0110 0 3380 R 4 PET O21 OBL -0.520000 15.9990 0 3381 R 4 PET O22 OSL -0.340000 15.9990 0 3382 R 4 PET C4 CTL2 -0.050000 12.0110 0 3383 R 4 PET H41 HAL2 0.090000 1.0080 0 3384 R 4 PET H42 HAL2 0.090000 1.0080 0 3385 R 5 PET CD1 CAP -0.115000 12.0110 0 3386 R 5 PET HD1 HP 0.115000 1.0080 0 3387 R 5 PET CE1 CAP -0.115000 12.0110 0 3388 R 5 PET HE1 HP 0.115000 1.0080 0 3389 R 5 PET CD2 CAP -0.115000 12.0110 0 3390 R 5 PET HD2 HP 0.115000 1.0080 0 3391 R 5 PET CE2 CAP -0.115000 12.0110 0 3392 R 5 PET HE2 HP 0.115000 1.0080 0 3393 R 5 PET CG CAP 0.100000 12.0110 0 3394 R 5 PET C1 CL 0.630000 12.0110 0 3395 R 5 PET O11 OBL -0.520000 15.9990 0 3396 R 5 PET O12 OSL -0.340000 15.9990 0 3397 R 5 PET C3 CTL2 -0.050000 12.0110 0 3398 R 5 PET H31 HAL2 0.090000 1.0080 0 3399 R 5 PET H32 HAL2 0.090000 1.0080 0 3400 R 5 PET CZ CAP 0.100000 12.0110 0 3401 R 5 PET C2 CL 0.630000 12.0110 0 3402 R 5 PET O21 OBL -0.520000 15.9990 0 3403 R 5 PET O22 OSL -0.340000 15.9990 0 3404 R 5 PET C4 CTL2 -0.050000 12.0110 0 3405 R 5 PET H41 HAL2 0.090000 1.0080 0 3406 R 5 PET H42 HAL2 0.090000 1.0080 0 3407 R 6 PET CD1 CAP -0.115000 12.0110 0 3408 R 6 PET HD1 HP 0.115000 1.0080 0 3409 R 6 PET CE1 CAP -0.115000 12.0110 0 3410 R 6 PET HE1 HP 0.115000 1.0080 0 3411 R 6 PET CD2 CAP -0.115000 12.0110 0 3412 R 6 PET HD2 HP 0.115000 1.0080 0 3413 R 6 PET CE2 CAP -0.115000 12.0110 0 3414 R 6 PET HE2 HP 0.115000 1.0080 0 3415 R 6 PET CG CAP 0.100000 12.0110 0 3416 R 6 PET C1 CL 0.630000 12.0110 0 3417 R 6 PET O11 OBL -0.520000 15.9990 0 3418 R 6 PET O12 OSL -0.340000 15.9990 0 3419 R 6 PET C3 CTL2 -0.050000 12.0110 0 3420 R 6 PET H31 HAL2 0.090000 1.0080 0 3421 R 6 PET H32 HAL2 0.090000 1.0080 0 3422 R 6 PET CZ CAP 0.100000 12.0110 0 3423 R 6 PET C2 CL 0.630000 12.0110 0 3424 R 6 PET O21 OBL -0.520000 15.9990 0 3425 R 6 PET O22 OSL -0.340000 15.9990 0 3426 R 6 PET C4 CTL2 -0.050000 12.0110 0 3427 R 6 PET H41 HAL2 0.090000 1.0080 0 3428 R 6 PET H42 HAL2 0.090000 1.0080 0 3429 R 7 PET CD1 CAP -0.115000 12.0110 0 3430 R 7 PET HD1 HP 0.115000 1.0080 0 3431 R 7 PET CE1 CAP -0.115000 12.0110 0 3432 R 7 PET HE1 HP 0.115000 1.0080 0 3433 R 7 PET CD2 CAP -0.115000 12.0110 0 3434 R 7 PET HD2 HP 0.115000 1.0080 0 3435 R 7 PET CE2 CAP -0.115000 12.0110 0 3436 R 7 PET HE2 HP 0.115000 1.0080 0 3437 R 7 PET CG CAP 0.100000 12.0110 0 3438 R 7 PET C1 CL 0.630000 12.0110 0 3439 R 7 PET O11 OBL -0.520000 15.9990 0 3440 R 7 PET O12 OSL -0.340000 15.9990 0 3441 R 7 PET C3 CTL2 -0.050000 12.0110 0 3442 R 7 PET H31 HAL2 0.090000 1.0080 0 3443 R 7 PET H32 HAL2 0.090000 1.0080 0 3444 R 7 PET CZ CAP 0.100000 12.0110 0 3445 R 7 PET C2 CL 0.630000 12.0110 0 3446 R 7 PET O21 OBL -0.520000 15.9990 0 3447 R 7 PET O22 OSL -0.340000 15.9990 0 3448 R 7 PET C4 CTL2 -0.050000 12.0110 0 3449 R 7 PET H41 HAL2 0.090000 1.0080 0 3450 R 7 PET H42 HAL2 0.090000 1.0080 0 3451 R 8 PET CD1 CAP -0.115000 12.0110 0 3452 R 8 PET HD1 HP 0.115000 1.0080 0 3453 R 8 PET CE1 CAP -0.115000 12.0110 0 3454 R 8 PET HE1 HP 0.115000 1.0080 0 3455 R 8 PET CD2 CAP -0.115000 12.0110 0 3456 R 8 PET HD2 HP 0.115000 1.0080 0 3457 R 8 PET CE2 CAP -0.115000 12.0110 0 3458 R 8 PET HE2 HP 0.115000 1.0080 0 3459 R 8 PET CG CAP 0.100000 12.0110 0 3460 R 8 PET C1 CL 0.630000 12.0110 0 3461 R 8 PET O11 OBL -0.520000 15.9990 0 3462 R 8 PET O12 OSL -0.340000 15.9990 0 3463 R 8 PET C3 CTL2 -0.050000 12.0110 0 3464 R 8 PET H31 HAL2 0.090000 1.0080 0 3465 R 8 PET H32 HAL2 0.090000 1.0080 0 3466 R 8 PET CZ CAP 0.100000 12.0110 0 3467 R 8 PET C2 CL 0.630000 12.0110 0 3468 R 8 PET O21 OBL -0.520000 15.9990 0 3469 R 8 PET O22 OSL -0.340000 15.9990 0 3470 R 8 PET C4 CTL2 -0.050000 12.0110 0 3471 R 8 PET H41 HAL2 0.090000 1.0080 0 3472 R 8 PET H42 HAL2 0.090000 1.0080 0 3473 R 9 PET C1 CD 0.750000 12.0110 0 3474 R 9 PET O11 OB -0.550000 15.9990 0 3475 R 9 PET O12 OH1 -0.610000 15.9990 0 3476 R 9 PET CG CAP -0.030000 12.0110 0 3477 R 9 PET H12 H 0.440000 1.0080 0 3478 R 9 PET CD1 CAP -0.115000 12.0110 0 3479 R 9 PET HD1 HP 0.115000 1.0080 0 3480 R 9 PET CE1 CAP -0.115000 12.0110 0 3481 R 9 PET HE1 HP 0.115000 1.0080 0 3482 R 9 PET CD2 CAP -0.115000 12.0110 0 3483 R 9 PET HD2 HP 0.115000 1.0080 0 3484 R 9 PET CE2 CAP -0.115000 12.0110 0 3485 R 9 PET HE2 HP 0.115000 1.0080 0 3486 R 9 PET CZ CAP 0.100000 12.0110 0 3487 R 9 PET C2 CL 0.630000 12.0110 0 3488 R 9 PET O21 OBL -0.520000 15.9990 0 3489 R 9 PET O22 OSL -0.340000 15.9990 0 3490 R 9 PET C4 CTL2 -0.050000 12.0110 0 3491 R 9 PET H41 HAL2 0.090000 1.0080 0 3492 R 9 PET H42 HAL2 0.090000 1.0080 0 3493 S 1 PET C2 CD 0.750000 12.0110 0 3494 S 1 PET O21 OB -0.550000 15.9990 0 3495 S 1 PET O22 OH1 -0.610000 15.9990 0 3496 S 1 PET CZ CAP -0.030000 12.0110 0 3497 S 1 PET H22 H 0.440000 1.0080 0 3498 S 1 PET CD1 CAP -0.115000 12.0110 0 3499 S 1 PET HD1 HP 0.115000 1.0080 0 3500 S 1 PET CE1 CAP -0.115000 12.0110 0 3501 S 1 PET HE1 HP 0.115000 1.0080 0 3502 S 1 PET CD2 CAP -0.115000 12.0110 0 3503 S 1 PET HD2 HP 0.115000 1.0080 0 3504 S 1 PET CE2 CAP -0.115000 12.0110 0 3505 S 1 PET HE2 HP 0.115000 1.0080 0 3506 S 1 PET CG CAP 0.100000 12.0110 0 3507 S 1 PET C1 CL 0.630000 12.0110 0 3508 S 1 PET O11 OBL -0.520000 15.9990 0 3509 S 1 PET O12 OSL -0.340000 15.9990 0 3510 S 1 PET C3 CTL2 -0.050000 12.0110 0 3511 S 1 PET H31 HAL2 0.090000 1.0080 0 3512 S 1 PET H32 HAL2 0.090000 1.0080 0 3513 S 2 PET CD1 CAP -0.115000 12.0110 0 3514 S 2 PET HD1 HP 0.115000 1.0080 0 3515 S 2 PET CE1 CAP -0.115000 12.0110 0 3516 S 2 PET HE1 HP 0.115000 1.0080 0 3517 S 2 PET CD2 CAP -0.115000 12.0110 0 3518 S 2 PET HD2 HP 0.115000 1.0080 0 3519 S 2 PET CE2 CAP -0.115000 12.0110 0 3520 S 2 PET HE2 HP 0.115000 1.0080 0 3521 S 2 PET CG CAP 0.100000 12.0110 0 3522 S 2 PET C1 CL 0.630000 12.0110 0 3523 S 2 PET O11 OBL -0.520000 15.9990 0 3524 S 2 PET O12 OSL -0.340000 15.9990 0 3525 S 2 PET C3 CTL2 -0.050000 12.0110 0 3526 S 2 PET H31 HAL2 0.090000 1.0080 0 3527 S 2 PET H32 HAL2 0.090000 1.0080 0 3528 S 2 PET CZ CAP 0.100000 12.0110 0 3529 S 2 PET C2 CL 0.630000 12.0110 0 3530 S 2 PET O21 OBL -0.520000 15.9990 0 3531 S 2 PET O22 OSL -0.340000 15.9990 0 3532 S 2 PET C4 CTL2 -0.050000 12.0110 0 3533 S 2 PET H41 HAL2 0.090000 1.0080 0 3534 S 2 PET H42 HAL2 0.090000 1.0080 0 3535 S 3 PET CD1 CAP -0.115000 12.0110 0 3536 S 3 PET HD1 HP 0.115000 1.0080 0 3537 S 3 PET CE1 CAP -0.115000 12.0110 0 3538 S 3 PET HE1 HP 0.115000 1.0080 0 3539 S 3 PET CD2 CAP -0.115000 12.0110 0 3540 S 3 PET HD2 HP 0.115000 1.0080 0 3541 S 3 PET CE2 CAP -0.115000 12.0110 0 3542 S 3 PET HE2 HP 0.115000 1.0080 0 3543 S 3 PET CG CAP 0.100000 12.0110 0 3544 S 3 PET C1 CL 0.630000 12.0110 0 3545 S 3 PET O11 OBL -0.520000 15.9990 0 3546 S 3 PET O12 OSL -0.340000 15.9990 0 3547 S 3 PET C3 CTL2 -0.050000 12.0110 0 3548 S 3 PET H31 HAL2 0.090000 1.0080 0 3549 S 3 PET H32 HAL2 0.090000 1.0080 0 3550 S 3 PET CZ CAP 0.100000 12.0110 0 3551 S 3 PET C2 CL 0.630000 12.0110 0 3552 S 3 PET O21 OBL -0.520000 15.9990 0 3553 S 3 PET O22 OSL -0.340000 15.9990 0 3554 S 3 PET C4 CTL2 -0.050000 12.0110 0 3555 S 3 PET H41 HAL2 0.090000 1.0080 0 3556 S 3 PET H42 HAL2 0.090000 1.0080 0 3557 S 4 PET CD1 CAP -0.115000 12.0110 0 3558 S 4 PET HD1 HP 0.115000 1.0080 0 3559 S 4 PET CE1 CAP -0.115000 12.0110 0 3560 S 4 PET HE1 HP 0.115000 1.0080 0 3561 S 4 PET CD2 CAP -0.115000 12.0110 0 3562 S 4 PET HD2 HP 0.115000 1.0080 0 3563 S 4 PET CE2 CAP -0.115000 12.0110 0 3564 S 4 PET HE2 HP 0.115000 1.0080 0 3565 S 4 PET CG CAP 0.100000 12.0110 0 3566 S 4 PET C1 CL 0.630000 12.0110 0 3567 S 4 PET O11 OBL -0.520000 15.9990 0 3568 S 4 PET O12 OSL -0.340000 15.9990 0 3569 S 4 PET C3 CTL2 -0.050000 12.0110 0 3570 S 4 PET H31 HAL2 0.090000 1.0080 0 3571 S 4 PET H32 HAL2 0.090000 1.0080 0 3572 S 4 PET CZ CAP 0.100000 12.0110 0 3573 S 4 PET C2 CL 0.630000 12.0110 0 3574 S 4 PET O21 OBL -0.520000 15.9990 0 3575 S 4 PET O22 OSL -0.340000 15.9990 0 3576 S 4 PET C4 CTL2 -0.050000 12.0110 0 3577 S 4 PET H41 HAL2 0.090000 1.0080 0 3578 S 4 PET H42 HAL2 0.090000 1.0080 0 3579 S 5 PET CD1 CAP -0.115000 12.0110 0 3580 S 5 PET HD1 HP 0.115000 1.0080 0 3581 S 5 PET CE1 CAP -0.115000 12.0110 0 3582 S 5 PET HE1 HP 0.115000 1.0080 0 3583 S 5 PET CD2 CAP -0.115000 12.0110 0 3584 S 5 PET HD2 HP 0.115000 1.0080 0 3585 S 5 PET CE2 CAP -0.115000 12.0110 0 3586 S 5 PET HE2 HP 0.115000 1.0080 0 3587 S 5 PET CG CAP 0.100000 12.0110 0 3588 S 5 PET C1 CL 0.630000 12.0110 0 3589 S 5 PET O11 OBL -0.520000 15.9990 0 3590 S 5 PET O12 OSL -0.340000 15.9990 0 3591 S 5 PET C3 CTL2 -0.050000 12.0110 0 3592 S 5 PET H31 HAL2 0.090000 1.0080 0 3593 S 5 PET H32 HAL2 0.090000 1.0080 0 3594 S 5 PET CZ CAP 0.100000 12.0110 0 3595 S 5 PET C2 CL 0.630000 12.0110 0 3596 S 5 PET O21 OBL -0.520000 15.9990 0 3597 S 5 PET O22 OSL -0.340000 15.9990 0 3598 S 5 PET C4 CTL2 -0.050000 12.0110 0 3599 S 5 PET H41 HAL2 0.090000 1.0080 0 3600 S 5 PET H42 HAL2 0.090000 1.0080 0 3601 S 6 PET CD1 CAP -0.115000 12.0110 0 3602 S 6 PET HD1 HP 0.115000 1.0080 0 3603 S 6 PET CE1 CAP -0.115000 12.0110 0 3604 S 6 PET HE1 HP 0.115000 1.0080 0 3605 S 6 PET CD2 CAP -0.115000 12.0110 0 3606 S 6 PET HD2 HP 0.115000 1.0080 0 3607 S 6 PET CE2 CAP -0.115000 12.0110 0 3608 S 6 PET HE2 HP 0.115000 1.0080 0 3609 S 6 PET CG CAP 0.100000 12.0110 0 3610 S 6 PET C1 CL 0.630000 12.0110 0 3611 S 6 PET O11 OBL -0.520000 15.9990 0 3612 S 6 PET O12 OSL -0.340000 15.9990 0 3613 S 6 PET C3 CTL2 -0.050000 12.0110 0 3614 S 6 PET H31 HAL2 0.090000 1.0080 0 3615 S 6 PET H32 HAL2 0.090000 1.0080 0 3616 S 6 PET CZ CAP 0.100000 12.0110 0 3617 S 6 PET C2 CL 0.630000 12.0110 0 3618 S 6 PET O21 OBL -0.520000 15.9990 0 3619 S 6 PET O22 OSL -0.340000 15.9990 0 3620 S 6 PET C4 CTL2 -0.050000 12.0110 0 3621 S 6 PET H41 HAL2 0.090000 1.0080 0 3622 S 6 PET H42 HAL2 0.090000 1.0080 0 3623 S 7 PET CD1 CAP -0.115000 12.0110 0 3624 S 7 PET HD1 HP 0.115000 1.0080 0 3625 S 7 PET CE1 CAP -0.115000 12.0110 0 3626 S 7 PET HE1 HP 0.115000 1.0080 0 3627 S 7 PET CD2 CAP -0.115000 12.0110 0 3628 S 7 PET HD2 HP 0.115000 1.0080 0 3629 S 7 PET CE2 CAP -0.115000 12.0110 0 3630 S 7 PET HE2 HP 0.115000 1.0080 0 3631 S 7 PET CG CAP 0.100000 12.0110 0 3632 S 7 PET C1 CL 0.630000 12.0110 0 3633 S 7 PET O11 OBL -0.520000 15.9990 0 3634 S 7 PET O12 OSL -0.340000 15.9990 0 3635 S 7 PET C3 CTL2 -0.050000 12.0110 0 3636 S 7 PET H31 HAL2 0.090000 1.0080 0 3637 S 7 PET H32 HAL2 0.090000 1.0080 0 3638 S 7 PET CZ CAP 0.100000 12.0110 0 3639 S 7 PET C2 CL 0.630000 12.0110 0 3640 S 7 PET O21 OBL -0.520000 15.9990 0 3641 S 7 PET O22 OSL -0.340000 15.9990 0 3642 S 7 PET C4 CTL2 -0.050000 12.0110 0 3643 S 7 PET H41 HAL2 0.090000 1.0080 0 3644 S 7 PET H42 HAL2 0.090000 1.0080 0 3645 S 8 PET CD1 CAP -0.115000 12.0110 0 3646 S 8 PET HD1 HP 0.115000 1.0080 0 3647 S 8 PET CE1 CAP -0.115000 12.0110 0 3648 S 8 PET HE1 HP 0.115000 1.0080 0 3649 S 8 PET CD2 CAP -0.115000 12.0110 0 3650 S 8 PET HD2 HP 0.115000 1.0080 0 3651 S 8 PET CE2 CAP -0.115000 12.0110 0 3652 S 8 PET HE2 HP 0.115000 1.0080 0 3653 S 8 PET CG CAP 0.100000 12.0110 0 3654 S 8 PET C1 CL 0.630000 12.0110 0 3655 S 8 PET O11 OBL -0.520000 15.9990 0 3656 S 8 PET O12 OSL -0.340000 15.9990 0 3657 S 8 PET C3 CTL2 -0.050000 12.0110 0 3658 S 8 PET H31 HAL2 0.090000 1.0080 0 3659 S 8 PET H32 HAL2 0.090000 1.0080 0 3660 S 8 PET CZ CAP 0.100000 12.0110 0 3661 S 8 PET C2 CL 0.630000 12.0110 0 3662 S 8 PET O21 OBL -0.520000 15.9990 0 3663 S 8 PET O22 OSL -0.340000 15.9990 0 3664 S 8 PET C4 CTL2 -0.050000 12.0110 0 3665 S 8 PET H41 HAL2 0.090000 1.0080 0 3666 S 8 PET H42 HAL2 0.090000 1.0080 0 3667 S 9 PET C1 CD 0.750000 12.0110 0 3668 S 9 PET O11 OB -0.550000 15.9990 0 3669 S 9 PET O12 OH1 -0.610000 15.9990 0 3670 S 9 PET CG CAP -0.030000 12.0110 0 3671 S 9 PET H12 H 0.440000 1.0080 0 3672 S 9 PET CD1 CAP -0.115000 12.0110 0 3673 S 9 PET HD1 HP 0.115000 1.0080 0 3674 S 9 PET CE1 CAP -0.115000 12.0110 0 3675 S 9 PET HE1 HP 0.115000 1.0080 0 3676 S 9 PET CD2 CAP -0.115000 12.0110 0 3677 S 9 PET HD2 HP 0.115000 1.0080 0 3678 S 9 PET CE2 CAP -0.115000 12.0110 0 3679 S 9 PET HE2 HP 0.115000 1.0080 0 3680 S 9 PET CZ CAP 0.100000 12.0110 0 3681 S 9 PET C2 CL 0.630000 12.0110 0 3682 S 9 PET O21 OBL -0.520000 15.9990 0 3683 S 9 PET O22 OSL -0.340000 15.9990 0 3684 S 9 PET C4 CTL2 -0.050000 12.0110 0 3685 S 9 PET H41 HAL2 0.090000 1.0080 0 3686 S 9 PET H42 HAL2 0.090000 1.0080 0 3687 T 1 PET C2 CD 0.750000 12.0110 0 3688 T 1 PET O21 OB -0.550000 15.9990 0 3689 T 1 PET O22 OH1 -0.610000 15.9990 0 3690 T 1 PET CZ CAP -0.030000 12.0110 0 3691 T 1 PET H22 H 0.440000 1.0080 0 3692 T 1 PET CD1 CAP -0.115000 12.0110 0 3693 T 1 PET HD1 HP 0.115000 1.0080 0 3694 T 1 PET CE1 CAP -0.115000 12.0110 0 3695 T 1 PET HE1 HP 0.115000 1.0080 0 3696 T 1 PET CD2 CAP -0.115000 12.0110 0 3697 T 1 PET HD2 HP 0.115000 1.0080 0 3698 T 1 PET CE2 CAP -0.115000 12.0110 0 3699 T 1 PET HE2 HP 0.115000 1.0080 0 3700 T 1 PET CG CAP 0.100000 12.0110 0 3701 T 1 PET C1 CL 0.630000 12.0110 0 3702 T 1 PET O11 OBL -0.520000 15.9990 0 3703 T 1 PET O12 OSL -0.340000 15.9990 0 3704 T 1 PET C3 CTL2 -0.050000 12.0110 0 3705 T 1 PET H31 HAL2 0.090000 1.0080 0 3706 T 1 PET H32 HAL2 0.090000 1.0080 0 3707 T 2 PET CD1 CAP -0.115000 12.0110 0 3708 T 2 PET HD1 HP 0.115000 1.0080 0 3709 T 2 PET CE1 CAP -0.115000 12.0110 0 3710 T 2 PET HE1 HP 0.115000 1.0080 0 3711 T 2 PET CD2 CAP -0.115000 12.0110 0 3712 T 2 PET HD2 HP 0.115000 1.0080 0 3713 T 2 PET CE2 CAP -0.115000 12.0110 0 3714 T 2 PET HE2 HP 0.115000 1.0080 0 3715 T 2 PET CG CAP 0.100000 12.0110 0 3716 T 2 PET C1 CL 0.630000 12.0110 0 3717 T 2 PET O11 OBL -0.520000 15.9990 0 3718 T 2 PET O12 OSL -0.340000 15.9990 0 3719 T 2 PET C3 CTL2 -0.050000 12.0110 0 3720 T 2 PET H31 HAL2 0.090000 1.0080 0 3721 T 2 PET H32 HAL2 0.090000 1.0080 0 3722 T 2 PET CZ CAP 0.100000 12.0110 0 3723 T 2 PET C2 CL 0.630000 12.0110 0 3724 T 2 PET O21 OBL -0.520000 15.9990 0 3725 T 2 PET O22 OSL -0.340000 15.9990 0 3726 T 2 PET C4 CTL2 -0.050000 12.0110 0 3727 T 2 PET H41 HAL2 0.090000 1.0080 0 3728 T 2 PET H42 HAL2 0.090000 1.0080 0 3729 T 3 PET CD1 CAP -0.115000 12.0110 0 3730 T 3 PET HD1 HP 0.115000 1.0080 0 3731 T 3 PET CE1 CAP -0.115000 12.0110 0 3732 T 3 PET HE1 HP 0.115000 1.0080 0 3733 T 3 PET CD2 CAP -0.115000 12.0110 0 3734 T 3 PET HD2 HP 0.115000 1.0080 0 3735 T 3 PET CE2 CAP -0.115000 12.0110 0 3736 T 3 PET HE2 HP 0.115000 1.0080 0 3737 T 3 PET CG CAP 0.100000 12.0110 0 3738 T 3 PET C1 CL 0.630000 12.0110 0 3739 T 3 PET O11 OBL -0.520000 15.9990 0 3740 T 3 PET O12 OSL -0.340000 15.9990 0 3741 T 3 PET C3 CTL2 -0.050000 12.0110 0 3742 T 3 PET H31 HAL2 0.090000 1.0080 0 3743 T 3 PET H32 HAL2 0.090000 1.0080 0 3744 T 3 PET CZ CAP 0.100000 12.0110 0 3745 T 3 PET C2 CL 0.630000 12.0110 0 3746 T 3 PET O21 OBL -0.520000 15.9990 0 3747 T 3 PET O22 OSL -0.340000 15.9990 0 3748 T 3 PET C4 CTL2 -0.050000 12.0110 0 3749 T 3 PET H41 HAL2 0.090000 1.0080 0 3750 T 3 PET H42 HAL2 0.090000 1.0080 0 3751 T 4 PET CD1 CAP -0.115000 12.0110 0 3752 T 4 PET HD1 HP 0.115000 1.0080 0 3753 T 4 PET CE1 CAP -0.115000 12.0110 0 3754 T 4 PET HE1 HP 0.115000 1.0080 0 3755 T 4 PET CD2 CAP -0.115000 12.0110 0 3756 T 4 PET HD2 HP 0.115000 1.0080 0 3757 T 4 PET CE2 CAP -0.115000 12.0110 0 3758 T 4 PET HE2 HP 0.115000 1.0080 0 3759 T 4 PET CG CAP 0.100000 12.0110 0 3760 T 4 PET C1 CL 0.630000 12.0110 0 3761 T 4 PET O11 OBL -0.520000 15.9990 0 3762 T 4 PET O12 OSL -0.340000 15.9990 0 3763 T 4 PET C3 CTL2 -0.050000 12.0110 0 3764 T 4 PET H31 HAL2 0.090000 1.0080 0 3765 T 4 PET H32 HAL2 0.090000 1.0080 0 3766 T 4 PET CZ CAP 0.100000 12.0110 0 3767 T 4 PET C2 CL 0.630000 12.0110 0 3768 T 4 PET O21 OBL -0.520000 15.9990 0 3769 T 4 PET O22 OSL -0.340000 15.9990 0 3770 T 4 PET C4 CTL2 -0.050000 12.0110 0 3771 T 4 PET H41 HAL2 0.090000 1.0080 0 3772 T 4 PET H42 HAL2 0.090000 1.0080 0 3773 T 5 PET CD1 CAP -0.115000 12.0110 0 3774 T 5 PET HD1 HP 0.115000 1.0080 0 3775 T 5 PET CE1 CAP -0.115000 12.0110 0 3776 T 5 PET HE1 HP 0.115000 1.0080 0 3777 T 5 PET CD2 CAP -0.115000 12.0110 0 3778 T 5 PET HD2 HP 0.115000 1.0080 0 3779 T 5 PET CE2 CAP -0.115000 12.0110 0 3780 T 5 PET HE2 HP 0.115000 1.0080 0 3781 T 5 PET CG CAP 0.100000 12.0110 0 3782 T 5 PET C1 CL 0.630000 12.0110 0 3783 T 5 PET O11 OBL -0.520000 15.9990 0 3784 T 5 PET O12 OSL -0.340000 15.9990 0 3785 T 5 PET C3 CTL2 -0.050000 12.0110 0 3786 T 5 PET H31 HAL2 0.090000 1.0080 0 3787 T 5 PET H32 HAL2 0.090000 1.0080 0 3788 T 5 PET CZ CAP 0.100000 12.0110 0 3789 T 5 PET C2 CL 0.630000 12.0110 0 3790 T 5 PET O21 OBL -0.520000 15.9990 0 3791 T 5 PET O22 OSL -0.340000 15.9990 0 3792 T 5 PET C4 CTL2 -0.050000 12.0110 0 3793 T 5 PET H41 HAL2 0.090000 1.0080 0 3794 T 5 PET H42 HAL2 0.090000 1.0080 0 3795 T 6 PET CD1 CAP -0.115000 12.0110 0 3796 T 6 PET HD1 HP 0.115000 1.0080 0 3797 T 6 PET CE1 CAP -0.115000 12.0110 0 3798 T 6 PET HE1 HP 0.115000 1.0080 0 3799 T 6 PET CD2 CAP -0.115000 12.0110 0 3800 T 6 PET HD2 HP 0.115000 1.0080 0 3801 T 6 PET CE2 CAP -0.115000 12.0110 0 3802 T 6 PET HE2 HP 0.115000 1.0080 0 3803 T 6 PET CG CAP 0.100000 12.0110 0 3804 T 6 PET C1 CL 0.630000 12.0110 0 3805 T 6 PET O11 OBL -0.520000 15.9990 0 3806 T 6 PET O12 OSL -0.340000 15.9990 0 3807 T 6 PET C3 CTL2 -0.050000 12.0110 0 3808 T 6 PET H31 HAL2 0.090000 1.0080 0 3809 T 6 PET H32 HAL2 0.090000 1.0080 0 3810 T 6 PET CZ CAP 0.100000 12.0110 0 3811 T 6 PET C2 CL 0.630000 12.0110 0 3812 T 6 PET O21 OBL -0.520000 15.9990 0 3813 T 6 PET O22 OSL -0.340000 15.9990 0 3814 T 6 PET C4 CTL2 -0.050000 12.0110 0 3815 T 6 PET H41 HAL2 0.090000 1.0080 0 3816 T 6 PET H42 HAL2 0.090000 1.0080 0 3817 T 7 PET CD1 CAP -0.115000 12.0110 0 3818 T 7 PET HD1 HP 0.115000 1.0080 0 3819 T 7 PET CE1 CAP -0.115000 12.0110 0 3820 T 7 PET HE1 HP 0.115000 1.0080 0 3821 T 7 PET CD2 CAP -0.115000 12.0110 0 3822 T 7 PET HD2 HP 0.115000 1.0080 0 3823 T 7 PET CE2 CAP -0.115000 12.0110 0 3824 T 7 PET HE2 HP 0.115000 1.0080 0 3825 T 7 PET CG CAP 0.100000 12.0110 0 3826 T 7 PET C1 CL 0.630000 12.0110 0 3827 T 7 PET O11 OBL -0.520000 15.9990 0 3828 T 7 PET O12 OSL -0.340000 15.9990 0 3829 T 7 PET C3 CTL2 -0.050000 12.0110 0 3830 T 7 PET H31 HAL2 0.090000 1.0080 0 3831 T 7 PET H32 HAL2 0.090000 1.0080 0 3832 T 7 PET CZ CAP 0.100000 12.0110 0 3833 T 7 PET C2 CL 0.630000 12.0110 0 3834 T 7 PET O21 OBL -0.520000 15.9990 0 3835 T 7 PET O22 OSL -0.340000 15.9990 0 3836 T 7 PET C4 CTL2 -0.050000 12.0110 0 3837 T 7 PET H41 HAL2 0.090000 1.0080 0 3838 T 7 PET H42 HAL2 0.090000 1.0080 0 3839 T 8 PET CD1 CAP -0.115000 12.0110 0 3840 T 8 PET HD1 HP 0.115000 1.0080 0 3841 T 8 PET CE1 CAP -0.115000 12.0110 0 3842 T 8 PET HE1 HP 0.115000 1.0080 0 3843 T 8 PET CD2 CAP -0.115000 12.0110 0 3844 T 8 PET HD2 HP 0.115000 1.0080 0 3845 T 8 PET CE2 CAP -0.115000 12.0110 0 3846 T 8 PET HE2 HP 0.115000 1.0080 0 3847 T 8 PET CG CAP 0.100000 12.0110 0 3848 T 8 PET C1 CL 0.630000 12.0110 0 3849 T 8 PET O11 OBL -0.520000 15.9990 0 3850 T 8 PET O12 OSL -0.340000 15.9990 0 3851 T 8 PET C3 CTL2 -0.050000 12.0110 0 3852 T 8 PET H31 HAL2 0.090000 1.0080 0 3853 T 8 PET H32 HAL2 0.090000 1.0080 0 3854 T 8 PET CZ CAP 0.100000 12.0110 0 3855 T 8 PET C2 CL 0.630000 12.0110 0 3856 T 8 PET O21 OBL -0.520000 15.9990 0 3857 T 8 PET O22 OSL -0.340000 15.9990 0 3858 T 8 PET C4 CTL2 -0.050000 12.0110 0 3859 T 8 PET H41 HAL2 0.090000 1.0080 0 3860 T 8 PET H42 HAL2 0.090000 1.0080 0 3861 T 9 PET C1 CD 0.750000 12.0110 0 3862 T 9 PET O11 OB -0.550000 15.9990 0 3863 T 9 PET O12 OH1 -0.610000 15.9990 0 3864 T 9 PET CG CAP -0.030000 12.0110 0 3865 T 9 PET H12 H 0.440000 1.0080 0 3866 T 9 PET CD1 CAP -0.115000 12.0110 0 3867 T 9 PET HD1 HP 0.115000 1.0080 0 3868 T 9 PET CE1 CAP -0.115000 12.0110 0 3869 T 9 PET HE1 HP 0.115000 1.0080 0 3870 T 9 PET CD2 CAP -0.115000 12.0110 0 3871 T 9 PET HD2 HP 0.115000 1.0080 0 3872 T 9 PET CE2 CAP -0.115000 12.0110 0 3873 T 9 PET HE2 HP 0.115000 1.0080 0 3874 T 9 PET CZ CAP 0.100000 12.0110 0 3875 T 9 PET C2 CL 0.630000 12.0110 0 3876 T 9 PET O21 OBL -0.520000 15.9990 0 3877 T 9 PET O22 OSL -0.340000 15.9990 0 3878 T 9 PET C4 CTL2 -0.050000 12.0110 0 3879 T 9 PET H41 HAL2 0.090000 1.0080 0 3880 T 9 PET H42 HAL2 0.090000 1.0080 0 3881 U 1 PET C2 CD 0.750000 12.0110 0 3882 U 1 PET O21 OB -0.550000 15.9990 0 3883 U 1 PET O22 OH1 -0.610000 15.9990 0 3884 U 1 PET CZ CAP -0.030000 12.0110 0 3885 U 1 PET H22 H 0.440000 1.0080 0 3886 U 1 PET CD1 CAP -0.115000 12.0110 0 3887 U 1 PET HD1 HP 0.115000 1.0080 0 3888 U 1 PET CE1 CAP -0.115000 12.0110 0 3889 U 1 PET HE1 HP 0.115000 1.0080 0 3890 U 1 PET CD2 CAP -0.115000 12.0110 0 3891 U 1 PET HD2 HP 0.115000 1.0080 0 3892 U 1 PET CE2 CAP -0.115000 12.0110 0 3893 U 1 PET HE2 HP 0.115000 1.0080 0 3894 U 1 PET CG CAP 0.100000 12.0110 0 3895 U 1 PET C1 CL 0.630000 12.0110 0 3896 U 1 PET O11 OBL -0.520000 15.9990 0 3897 U 1 PET O12 OSL -0.340000 15.9990 0 3898 U 1 PET C3 CTL2 -0.050000 12.0110 0 3899 U 1 PET H31 HAL2 0.090000 1.0080 0 3900 U 1 PET H32 HAL2 0.090000 1.0080 0 3901 U 2 PET CD1 CAP -0.115000 12.0110 0 3902 U 2 PET HD1 HP 0.115000 1.0080 0 3903 U 2 PET CE1 CAP -0.115000 12.0110 0 3904 U 2 PET HE1 HP 0.115000 1.0080 0 3905 U 2 PET CD2 CAP -0.115000 12.0110 0 3906 U 2 PET HD2 HP 0.115000 1.0080 0 3907 U 2 PET CE2 CAP -0.115000 12.0110 0 3908 U 2 PET HE2 HP 0.115000 1.0080 0 3909 U 2 PET CG CAP 0.100000 12.0110 0 3910 U 2 PET C1 CL 0.630000 12.0110 0 3911 U 2 PET O11 OBL -0.520000 15.9990 0 3912 U 2 PET O12 OSL -0.340000 15.9990 0 3913 U 2 PET C3 CTL2 -0.050000 12.0110 0 3914 U 2 PET H31 HAL2 0.090000 1.0080 0 3915 U 2 PET H32 HAL2 0.090000 1.0080 0 3916 U 2 PET CZ CAP 0.100000 12.0110 0 3917 U 2 PET C2 CL 0.630000 12.0110 0 3918 U 2 PET O21 OBL -0.520000 15.9990 0 3919 U 2 PET O22 OSL -0.340000 15.9990 0 3920 U 2 PET C4 CTL2 -0.050000 12.0110 0 3921 U 2 PET H41 HAL2 0.090000 1.0080 0 3922 U 2 PET H42 HAL2 0.090000 1.0080 0 3923 U 3 PET CD1 CAP -0.115000 12.0110 0 3924 U 3 PET HD1 HP 0.115000 1.0080 0 3925 U 3 PET CE1 CAP -0.115000 12.0110 0 3926 U 3 PET HE1 HP 0.115000 1.0080 0 3927 U 3 PET CD2 CAP -0.115000 12.0110 0 3928 U 3 PET HD2 HP 0.115000 1.0080 0 3929 U 3 PET CE2 CAP -0.115000 12.0110 0 3930 U 3 PET HE2 HP 0.115000 1.0080 0 3931 U 3 PET CG CAP 0.100000 12.0110 0 3932 U 3 PET C1 CL 0.630000 12.0110 0 3933 U 3 PET O11 OBL -0.520000 15.9990 0 3934 U 3 PET O12 OSL -0.340000 15.9990 0 3935 U 3 PET C3 CTL2 -0.050000 12.0110 0 3936 U 3 PET H31 HAL2 0.090000 1.0080 0 3937 U 3 PET H32 HAL2 0.090000 1.0080 0 3938 U 3 PET CZ CAP 0.100000 12.0110 0 3939 U 3 PET C2 CL 0.630000 12.0110 0 3940 U 3 PET O21 OBL -0.520000 15.9990 0 3941 U 3 PET O22 OSL -0.340000 15.9990 0 3942 U 3 PET C4 CTL2 -0.050000 12.0110 0 3943 U 3 PET H41 HAL2 0.090000 1.0080 0 3944 U 3 PET H42 HAL2 0.090000 1.0080 0 3945 U 4 PET CD1 CAP -0.115000 12.0110 0 3946 U 4 PET HD1 HP 0.115000 1.0080 0 3947 U 4 PET CE1 CAP -0.115000 12.0110 0 3948 U 4 PET HE1 HP 0.115000 1.0080 0 3949 U 4 PET CD2 CAP -0.115000 12.0110 0 3950 U 4 PET HD2 HP 0.115000 1.0080 0 3951 U 4 PET CE2 CAP -0.115000 12.0110 0 3952 U 4 PET HE2 HP 0.115000 1.0080 0 3953 U 4 PET CG CAP 0.100000 12.0110 0 3954 U 4 PET C1 CL 0.630000 12.0110 0 3955 U 4 PET O11 OBL -0.520000 15.9990 0 3956 U 4 PET O12 OSL -0.340000 15.9990 0 3957 U 4 PET C3 CTL2 -0.050000 12.0110 0 3958 U 4 PET H31 HAL2 0.090000 1.0080 0 3959 U 4 PET H32 HAL2 0.090000 1.0080 0 3960 U 4 PET CZ CAP 0.100000 12.0110 0 3961 U 4 PET C2 CL 0.630000 12.0110 0 3962 U 4 PET O21 OBL -0.520000 15.9990 0 3963 U 4 PET O22 OSL -0.340000 15.9990 0 3964 U 4 PET C4 CTL2 -0.050000 12.0110 0 3965 U 4 PET H41 HAL2 0.090000 1.0080 0 3966 U 4 PET H42 HAL2 0.090000 1.0080 0 3967 U 5 PET CD1 CAP -0.115000 12.0110 0 3968 U 5 PET HD1 HP 0.115000 1.0080 0 3969 U 5 PET CE1 CAP -0.115000 12.0110 0 3970 U 5 PET HE1 HP 0.115000 1.0080 0 3971 U 5 PET CD2 CAP -0.115000 12.0110 0 3972 U 5 PET HD2 HP 0.115000 1.0080 0 3973 U 5 PET CE2 CAP -0.115000 12.0110 0 3974 U 5 PET HE2 HP 0.115000 1.0080 0 3975 U 5 PET CG CAP 0.100000 12.0110 0 3976 U 5 PET C1 CL 0.630000 12.0110 0 3977 U 5 PET O11 OBL -0.520000 15.9990 0 3978 U 5 PET O12 OSL -0.340000 15.9990 0 3979 U 5 PET C3 CTL2 -0.050000 12.0110 0 3980 U 5 PET H31 HAL2 0.090000 1.0080 0 3981 U 5 PET H32 HAL2 0.090000 1.0080 0 3982 U 5 PET CZ CAP 0.100000 12.0110 0 3983 U 5 PET C2 CL 0.630000 12.0110 0 3984 U 5 PET O21 OBL -0.520000 15.9990 0 3985 U 5 PET O22 OSL -0.340000 15.9990 0 3986 U 5 PET C4 CTL2 -0.050000 12.0110 0 3987 U 5 PET H41 HAL2 0.090000 1.0080 0 3988 U 5 PET H42 HAL2 0.090000 1.0080 0 3989 U 6 PET CD1 CAP -0.115000 12.0110 0 3990 U 6 PET HD1 HP 0.115000 1.0080 0 3991 U 6 PET CE1 CAP -0.115000 12.0110 0 3992 U 6 PET HE1 HP 0.115000 1.0080 0 3993 U 6 PET CD2 CAP -0.115000 12.0110 0 3994 U 6 PET HD2 HP 0.115000 1.0080 0 3995 U 6 PET CE2 CAP -0.115000 12.0110 0 3996 U 6 PET HE2 HP 0.115000 1.0080 0 3997 U 6 PET CG CAP 0.100000 12.0110 0 3998 U 6 PET C1 CL 0.630000 12.0110 0 3999 U 6 PET O11 OBL -0.520000 15.9990 0 4000 U 6 PET O12 OSL -0.340000 15.9990 0 4001 U 6 PET C3 CTL2 -0.050000 12.0110 0 4002 U 6 PET H31 HAL2 0.090000 1.0080 0 4003 U 6 PET H32 HAL2 0.090000 1.0080 0 4004 U 6 PET CZ CAP 0.100000 12.0110 0 4005 U 6 PET C2 CL 0.630000 12.0110 0 4006 U 6 PET O21 OBL -0.520000 15.9990 0 4007 U 6 PET O22 OSL -0.340000 15.9990 0 4008 U 6 PET C4 CTL2 -0.050000 12.0110 0 4009 U 6 PET H41 HAL2 0.090000 1.0080 0 4010 U 6 PET H42 HAL2 0.090000 1.0080 0 4011 U 7 PET CD1 CAP -0.115000 12.0110 0 4012 U 7 PET HD1 HP 0.115000 1.0080 0 4013 U 7 PET CE1 CAP -0.115000 12.0110 0 4014 U 7 PET HE1 HP 0.115000 1.0080 0 4015 U 7 PET CD2 CAP -0.115000 12.0110 0 4016 U 7 PET HD2 HP 0.115000 1.0080 0 4017 U 7 PET CE2 CAP -0.115000 12.0110 0 4018 U 7 PET HE2 HP 0.115000 1.0080 0 4019 U 7 PET CG CAP 0.100000 12.0110 0 4020 U 7 PET C1 CL 0.630000 12.0110 0 4021 U 7 PET O11 OBL -0.520000 15.9990 0 4022 U 7 PET O12 OSL -0.340000 15.9990 0 4023 U 7 PET C3 CTL2 -0.050000 12.0110 0 4024 U 7 PET H31 HAL2 0.090000 1.0080 0 4025 U 7 PET H32 HAL2 0.090000 1.0080 0 4026 U 7 PET CZ CAP 0.100000 12.0110 0 4027 U 7 PET C2 CL 0.630000 12.0110 0 4028 U 7 PET O21 OBL -0.520000 15.9990 0 4029 U 7 PET O22 OSL -0.340000 15.9990 0 4030 U 7 PET C4 CTL2 -0.050000 12.0110 0 4031 U 7 PET H41 HAL2 0.090000 1.0080 0 4032 U 7 PET H42 HAL2 0.090000 1.0080 0 4033 U 8 PET CD1 CAP -0.115000 12.0110 0 4034 U 8 PET HD1 HP 0.115000 1.0080 0 4035 U 8 PET CE1 CAP -0.115000 12.0110 0 4036 U 8 PET HE1 HP 0.115000 1.0080 0 4037 U 8 PET CD2 CAP -0.115000 12.0110 0 4038 U 8 PET HD2 HP 0.115000 1.0080 0 4039 U 8 PET CE2 CAP -0.115000 12.0110 0 4040 U 8 PET HE2 HP 0.115000 1.0080 0 4041 U 8 PET CG CAP 0.100000 12.0110 0 4042 U 8 PET C1 CL 0.630000 12.0110 0 4043 U 8 PET O11 OBL -0.520000 15.9990 0 4044 U 8 PET O12 OSL -0.340000 15.9990 0 4045 U 8 PET C3 CTL2 -0.050000 12.0110 0 4046 U 8 PET H31 HAL2 0.090000 1.0080 0 4047 U 8 PET H32 HAL2 0.090000 1.0080 0 4048 U 8 PET CZ CAP 0.100000 12.0110 0 4049 U 8 PET C2 CL 0.630000 12.0110 0 4050 U 8 PET O21 OBL -0.520000 15.9990 0 4051 U 8 PET O22 OSL -0.340000 15.9990 0 4052 U 8 PET C4 CTL2 -0.050000 12.0110 0 4053 U 8 PET H41 HAL2 0.090000 1.0080 0 4054 U 8 PET H42 HAL2 0.090000 1.0080 0 4055 U 9 PET C1 CD 0.750000 12.0110 0 4056 U 9 PET O11 OB -0.550000 15.9990 0 4057 U 9 PET O12 OH1 -0.610000 15.9990 0 4058 U 9 PET CG CAP -0.030000 12.0110 0 4059 U 9 PET H12 H 0.440000 1.0080 0 4060 U 9 PET CD1 CAP -0.115000 12.0110 0 4061 U 9 PET HD1 HP 0.115000 1.0080 0 4062 U 9 PET CE1 CAP -0.115000 12.0110 0 4063 U 9 PET HE1 HP 0.115000 1.0080 0 4064 U 9 PET CD2 CAP -0.115000 12.0110 0 4065 U 9 PET HD2 HP 0.115000 1.0080 0 4066 U 9 PET CE2 CAP -0.115000 12.0110 0 4067 U 9 PET HE2 HP 0.115000 1.0080 0 4068 U 9 PET CZ CAP 0.100000 12.0110 0 4069 U 9 PET C2 CL 0.630000 12.0110 0 4070 U 9 PET O21 OBL -0.520000 15.9990 0 4071 U 9 PET O22 OSL -0.340000 15.9990 0 4072 U 9 PET C4 CTL2 -0.050000 12.0110 0 4073 U 9 PET H41 HAL2 0.090000 1.0080 0 4074 U 9 PET H42 HAL2 0.090000 1.0080 0 4075 V 1 PET C2 CD 0.750000 12.0110 0 4076 V 1 PET O21 OB -0.550000 15.9990 0 4077 V 1 PET O22 OH1 -0.610000 15.9990 0 4078 V 1 PET CZ CAP -0.030000 12.0110 0 4079 V 1 PET H22 H 0.440000 1.0080 0 4080 V 1 PET CD1 CAP -0.115000 12.0110 0 4081 V 1 PET HD1 HP 0.115000 1.0080 0 4082 V 1 PET CE1 CAP -0.115000 12.0110 0 4083 V 1 PET HE1 HP 0.115000 1.0080 0 4084 V 1 PET CD2 CAP -0.115000 12.0110 0 4085 V 1 PET HD2 HP 0.115000 1.0080 0 4086 V 1 PET CE2 CAP -0.115000 12.0110 0 4087 V 1 PET HE2 HP 0.115000 1.0080 0 4088 V 1 PET CG CAP 0.100000 12.0110 0 4089 V 1 PET C1 CL 0.630000 12.0110 0 4090 V 1 PET O11 OBL -0.520000 15.9990 0 4091 V 1 PET O12 OSL -0.340000 15.9990 0 4092 V 1 PET C3 CTL2 -0.050000 12.0110 0 4093 V 1 PET H31 HAL2 0.090000 1.0080 0 4094 V 1 PET H32 HAL2 0.090000 1.0080 0 4095 V 2 PET CD1 CAP -0.115000 12.0110 0 4096 V 2 PET HD1 HP 0.115000 1.0080 0 4097 V 2 PET CE1 CAP -0.115000 12.0110 0 4098 V 2 PET HE1 HP 0.115000 1.0080 0 4099 V 2 PET CD2 CAP -0.115000 12.0110 0 4100 V 2 PET HD2 HP 0.115000 1.0080 0 4101 V 2 PET CE2 CAP -0.115000 12.0110 0 4102 V 2 PET HE2 HP 0.115000 1.0080 0 4103 V 2 PET CG CAP 0.100000 12.0110 0 4104 V 2 PET C1 CL 0.630000 12.0110 0 4105 V 2 PET O11 OBL -0.520000 15.9990 0 4106 V 2 PET O12 OSL -0.340000 15.9990 0 4107 V 2 PET C3 CTL2 -0.050000 12.0110 0 4108 V 2 PET H31 HAL2 0.090000 1.0080 0 4109 V 2 PET H32 HAL2 0.090000 1.0080 0 4110 V 2 PET CZ CAP 0.100000 12.0110 0 4111 V 2 PET C2 CL 0.630000 12.0110 0 4112 V 2 PET O21 OBL -0.520000 15.9990 0 4113 V 2 PET O22 OSL -0.340000 15.9990 0 4114 V 2 PET C4 CTL2 -0.050000 12.0110 0 4115 V 2 PET H41 HAL2 0.090000 1.0080 0 4116 V 2 PET H42 HAL2 0.090000 1.0080 0 4117 V 3 PET CD1 CAP -0.115000 12.0110 0 4118 V 3 PET HD1 HP 0.115000 1.0080 0 4119 V 3 PET CE1 CAP -0.115000 12.0110 0 4120 V 3 PET HE1 HP 0.115000 1.0080 0 4121 V 3 PET CD2 CAP -0.115000 12.0110 0 4122 V 3 PET HD2 HP 0.115000 1.0080 0 4123 V 3 PET CE2 CAP -0.115000 12.0110 0 4124 V 3 PET HE2 HP 0.115000 1.0080 0 4125 V 3 PET CG CAP 0.100000 12.0110 0 4126 V 3 PET C1 CL 0.630000 12.0110 0 4127 V 3 PET O11 OBL -0.520000 15.9990 0 4128 V 3 PET O12 OSL -0.340000 15.9990 0 4129 V 3 PET C3 CTL2 -0.050000 12.0110 0 4130 V 3 PET H31 HAL2 0.090000 1.0080 0 4131 V 3 PET H32 HAL2 0.090000 1.0080 0 4132 V 3 PET CZ CAP 0.100000 12.0110 0 4133 V 3 PET C2 CL 0.630000 12.0110 0 4134 V 3 PET O21 OBL -0.520000 15.9990 0 4135 V 3 PET O22 OSL -0.340000 15.9990 0 4136 V 3 PET C4 CTL2 -0.050000 12.0110 0 4137 V 3 PET H41 HAL2 0.090000 1.0080 0 4138 V 3 PET H42 HAL2 0.090000 1.0080 0 4139 V 4 PET CD1 CAP -0.115000 12.0110 0 4140 V 4 PET HD1 HP 0.115000 1.0080 0 4141 V 4 PET CE1 CAP -0.115000 12.0110 0 4142 V 4 PET HE1 HP 0.115000 1.0080 0 4143 V 4 PET CD2 CAP -0.115000 12.0110 0 4144 V 4 PET HD2 HP 0.115000 1.0080 0 4145 V 4 PET CE2 CAP -0.115000 12.0110 0 4146 V 4 PET HE2 HP 0.115000 1.0080 0 4147 V 4 PET CG CAP 0.100000 12.0110 0 4148 V 4 PET C1 CL 0.630000 12.0110 0 4149 V 4 PET O11 OBL -0.520000 15.9990 0 4150 V 4 PET O12 OSL -0.340000 15.9990 0 4151 V 4 PET C3 CTL2 -0.050000 12.0110 0 4152 V 4 PET H31 HAL2 0.090000 1.0080 0 4153 V 4 PET H32 HAL2 0.090000 1.0080 0 4154 V 4 PET CZ CAP 0.100000 12.0110 0 4155 V 4 PET C2 CL 0.630000 12.0110 0 4156 V 4 PET O21 OBL -0.520000 15.9990 0 4157 V 4 PET O22 OSL -0.340000 15.9990 0 4158 V 4 PET C4 CTL2 -0.050000 12.0110 0 4159 V 4 PET H41 HAL2 0.090000 1.0080 0 4160 V 4 PET H42 HAL2 0.090000 1.0080 0 4161 V 5 PET CD1 CAP -0.115000 12.0110 0 4162 V 5 PET HD1 HP 0.115000 1.0080 0 4163 V 5 PET CE1 CAP -0.115000 12.0110 0 4164 V 5 PET HE1 HP 0.115000 1.0080 0 4165 V 5 PET CD2 CAP -0.115000 12.0110 0 4166 V 5 PET HD2 HP 0.115000 1.0080 0 4167 V 5 PET CE2 CAP -0.115000 12.0110 0 4168 V 5 PET HE2 HP 0.115000 1.0080 0 4169 V 5 PET CG CAP 0.100000 12.0110 0 4170 V 5 PET C1 CL 0.630000 12.0110 0 4171 V 5 PET O11 OBL -0.520000 15.9990 0 4172 V 5 PET O12 OSL -0.340000 15.9990 0 4173 V 5 PET C3 CTL2 -0.050000 12.0110 0 4174 V 5 PET H31 HAL2 0.090000 1.0080 0 4175 V 5 PET H32 HAL2 0.090000 1.0080 0 4176 V 5 PET CZ CAP 0.100000 12.0110 0 4177 V 5 PET C2 CL 0.630000 12.0110 0 4178 V 5 PET O21 OBL -0.520000 15.9990 0 4179 V 5 PET O22 OSL -0.340000 15.9990 0 4180 V 5 PET C4 CTL2 -0.050000 12.0110 0 4181 V 5 PET H41 HAL2 0.090000 1.0080 0 4182 V 5 PET H42 HAL2 0.090000 1.0080 0 4183 V 6 PET CD1 CAP -0.115000 12.0110 0 4184 V 6 PET HD1 HP 0.115000 1.0080 0 4185 V 6 PET CE1 CAP -0.115000 12.0110 0 4186 V 6 PET HE1 HP 0.115000 1.0080 0 4187 V 6 PET CD2 CAP -0.115000 12.0110 0 4188 V 6 PET HD2 HP 0.115000 1.0080 0 4189 V 6 PET CE2 CAP -0.115000 12.0110 0 4190 V 6 PET HE2 HP 0.115000 1.0080 0 4191 V 6 PET CG CAP 0.100000 12.0110 0 4192 V 6 PET C1 CL 0.630000 12.0110 0 4193 V 6 PET O11 OBL -0.520000 15.9990 0 4194 V 6 PET O12 OSL -0.340000 15.9990 0 4195 V 6 PET C3 CTL2 -0.050000 12.0110 0 4196 V 6 PET H31 HAL2 0.090000 1.0080 0 4197 V 6 PET H32 HAL2 0.090000 1.0080 0 4198 V 6 PET CZ CAP 0.100000 12.0110 0 4199 V 6 PET C2 CL 0.630000 12.0110 0 4200 V 6 PET O21 OBL -0.520000 15.9990 0 4201 V 6 PET O22 OSL -0.340000 15.9990 0 4202 V 6 PET C4 CTL2 -0.050000 12.0110 0 4203 V 6 PET H41 HAL2 0.090000 1.0080 0 4204 V 6 PET H42 HAL2 0.090000 1.0080 0 4205 V 7 PET CD1 CAP -0.115000 12.0110 0 4206 V 7 PET HD1 HP 0.115000 1.0080 0 4207 V 7 PET CE1 CAP -0.115000 12.0110 0 4208 V 7 PET HE1 HP 0.115000 1.0080 0 4209 V 7 PET CD2 CAP -0.115000 12.0110 0 4210 V 7 PET HD2 HP 0.115000 1.0080 0 4211 V 7 PET CE2 CAP -0.115000 12.0110 0 4212 V 7 PET HE2 HP 0.115000 1.0080 0 4213 V 7 PET CG CAP 0.100000 12.0110 0 4214 V 7 PET C1 CL 0.630000 12.0110 0 4215 V 7 PET O11 OBL -0.520000 15.9990 0 4216 V 7 PET O12 OSL -0.340000 15.9990 0 4217 V 7 PET C3 CTL2 -0.050000 12.0110 0 4218 V 7 PET H31 HAL2 0.090000 1.0080 0 4219 V 7 PET H32 HAL2 0.090000 1.0080 0 4220 V 7 PET CZ CAP 0.100000 12.0110 0 4221 V 7 PET C2 CL 0.630000 12.0110 0 4222 V 7 PET O21 OBL -0.520000 15.9990 0 4223 V 7 PET O22 OSL -0.340000 15.9990 0 4224 V 7 PET C4 CTL2 -0.050000 12.0110 0 4225 V 7 PET H41 HAL2 0.090000 1.0080 0 4226 V 7 PET H42 HAL2 0.090000 1.0080 0 4227 V 8 PET CD1 CAP -0.115000 12.0110 0 4228 V 8 PET HD1 HP 0.115000 1.0080 0 4229 V 8 PET CE1 CAP -0.115000 12.0110 0 4230 V 8 PET HE1 HP 0.115000 1.0080 0 4231 V 8 PET CD2 CAP -0.115000 12.0110 0 4232 V 8 PET HD2 HP 0.115000 1.0080 0 4233 V 8 PET CE2 CAP -0.115000 12.0110 0 4234 V 8 PET HE2 HP 0.115000 1.0080 0 4235 V 8 PET CG CAP 0.100000 12.0110 0 4236 V 8 PET C1 CL 0.630000 12.0110 0 4237 V 8 PET O11 OBL -0.520000 15.9990 0 4238 V 8 PET O12 OSL -0.340000 15.9990 0 4239 V 8 PET C3 CTL2 -0.050000 12.0110 0 4240 V 8 PET H31 HAL2 0.090000 1.0080 0 4241 V 8 PET H32 HAL2 0.090000 1.0080 0 4242 V 8 PET CZ CAP 0.100000 12.0110 0 4243 V 8 PET C2 CL 0.630000 12.0110 0 4244 V 8 PET O21 OBL -0.520000 15.9990 0 4245 V 8 PET O22 OSL -0.340000 15.9990 0 4246 V 8 PET C4 CTL2 -0.050000 12.0110 0 4247 V 8 PET H41 HAL2 0.090000 1.0080 0 4248 V 8 PET H42 HAL2 0.090000 1.0080 0 4249 V 9 PET C1 CD 0.750000 12.0110 0 4250 V 9 PET O11 OB -0.550000 15.9990 0 4251 V 9 PET O12 OH1 -0.610000 15.9990 0 4252 V 9 PET CG CAP -0.030000 12.0110 0 4253 V 9 PET H12 H 0.440000 1.0080 0 4254 V 9 PET CD1 CAP -0.115000 12.0110 0 4255 V 9 PET HD1 HP 0.115000 1.0080 0 4256 V 9 PET CE1 CAP -0.115000 12.0110 0 4257 V 9 PET HE1 HP 0.115000 1.0080 0 4258 V 9 PET CD2 CAP -0.115000 12.0110 0 4259 V 9 PET HD2 HP 0.115000 1.0080 0 4260 V 9 PET CE2 CAP -0.115000 12.0110 0 4261 V 9 PET HE2 HP 0.115000 1.0080 0 4262 V 9 PET CZ CAP 0.100000 12.0110 0 4263 V 9 PET C2 CL 0.630000 12.0110 0 4264 V 9 PET O21 OBL -0.520000 15.9990 0 4265 V 9 PET O22 OSL -0.340000 15.9990 0 4266 V 9 PET C4 CTL2 -0.050000 12.0110 0 4267 V 9 PET H41 HAL2 0.090000 1.0080 0 4268 V 9 PET H42 HAL2 0.090000 1.0080 0 4269 W 1 PET C2 CD 0.750000 12.0110 0 4270 W 1 PET O21 OB -0.550000 15.9990 0 4271 W 1 PET O22 OH1 -0.610000 15.9990 0 4272 W 1 PET CZ CAP -0.030000 12.0110 0 4273 W 1 PET H22 H 0.440000 1.0080 0 4274 W 1 PET CD1 CAP -0.115000 12.0110 0 4275 W 1 PET HD1 HP 0.115000 1.0080 0 4276 W 1 PET CE1 CAP -0.115000 12.0110 0 4277 W 1 PET HE1 HP 0.115000 1.0080 0 4278 W 1 PET CD2 CAP -0.115000 12.0110 0 4279 W 1 PET HD2 HP 0.115000 1.0080 0 4280 W 1 PET CE2 CAP -0.115000 12.0110 0 4281 W 1 PET HE2 HP 0.115000 1.0080 0 4282 W 1 PET CG CAP 0.100000 12.0110 0 4283 W 1 PET C1 CL 0.630000 12.0110 0 4284 W 1 PET O11 OBL -0.520000 15.9990 0 4285 W 1 PET O12 OSL -0.340000 15.9990 0 4286 W 1 PET C3 CTL2 -0.050000 12.0110 0 4287 W 1 PET H31 HAL2 0.090000 1.0080 0 4288 W 1 PET H32 HAL2 0.090000 1.0080 0 4289 W 2 PET CD1 CAP -0.115000 12.0110 0 4290 W 2 PET HD1 HP 0.115000 1.0080 0 4291 W 2 PET CE1 CAP -0.115000 12.0110 0 4292 W 2 PET HE1 HP 0.115000 1.0080 0 4293 W 2 PET CD2 CAP -0.115000 12.0110 0 4294 W 2 PET HD2 HP 0.115000 1.0080 0 4295 W 2 PET CE2 CAP -0.115000 12.0110 0 4296 W 2 PET HE2 HP 0.115000 1.0080 0 4297 W 2 PET CG CAP 0.100000 12.0110 0 4298 W 2 PET C1 CL 0.630000 12.0110 0 4299 W 2 PET O11 OBL -0.520000 15.9990 0 4300 W 2 PET O12 OSL -0.340000 15.9990 0 4301 W 2 PET C3 CTL2 -0.050000 12.0110 0 4302 W 2 PET H31 HAL2 0.090000 1.0080 0 4303 W 2 PET H32 HAL2 0.090000 1.0080 0 4304 W 2 PET CZ CAP 0.100000 12.0110 0 4305 W 2 PET C2 CL 0.630000 12.0110 0 4306 W 2 PET O21 OBL -0.520000 15.9990 0 4307 W 2 PET O22 OSL -0.340000 15.9990 0 4308 W 2 PET C4 CTL2 -0.050000 12.0110 0 4309 W 2 PET H41 HAL2 0.090000 1.0080 0 4310 W 2 PET H42 HAL2 0.090000 1.0080 0 4311 W 3 PET CD1 CAP -0.115000 12.0110 0 4312 W 3 PET HD1 HP 0.115000 1.0080 0 4313 W 3 PET CE1 CAP -0.115000 12.0110 0 4314 W 3 PET HE1 HP 0.115000 1.0080 0 4315 W 3 PET CD2 CAP -0.115000 12.0110 0 4316 W 3 PET HD2 HP 0.115000 1.0080 0 4317 W 3 PET CE2 CAP -0.115000 12.0110 0 4318 W 3 PET HE2 HP 0.115000 1.0080 0 4319 W 3 PET CG CAP 0.100000 12.0110 0 4320 W 3 PET C1 CL 0.630000 12.0110 0 4321 W 3 PET O11 OBL -0.520000 15.9990 0 4322 W 3 PET O12 OSL -0.340000 15.9990 0 4323 W 3 PET C3 CTL2 -0.050000 12.0110 0 4324 W 3 PET H31 HAL2 0.090000 1.0080 0 4325 W 3 PET H32 HAL2 0.090000 1.0080 0 4326 W 3 PET CZ CAP 0.100000 12.0110 0 4327 W 3 PET C2 CL 0.630000 12.0110 0 4328 W 3 PET O21 OBL -0.520000 15.9990 0 4329 W 3 PET O22 OSL -0.340000 15.9990 0 4330 W 3 PET C4 CTL2 -0.050000 12.0110 0 4331 W 3 PET H41 HAL2 0.090000 1.0080 0 4332 W 3 PET H42 HAL2 0.090000 1.0080 0 4333 W 4 PET CD1 CAP -0.115000 12.0110 0 4334 W 4 PET HD1 HP 0.115000 1.0080 0 4335 W 4 PET CE1 CAP -0.115000 12.0110 0 4336 W 4 PET HE1 HP 0.115000 1.0080 0 4337 W 4 PET CD2 CAP -0.115000 12.0110 0 4338 W 4 PET HD2 HP 0.115000 1.0080 0 4339 W 4 PET CE2 CAP -0.115000 12.0110 0 4340 W 4 PET HE2 HP 0.115000 1.0080 0 4341 W 4 PET CG CAP 0.100000 12.0110 0 4342 W 4 PET C1 CL 0.630000 12.0110 0 4343 W 4 PET O11 OBL -0.520000 15.9990 0 4344 W 4 PET O12 OSL -0.340000 15.9990 0 4345 W 4 PET C3 CTL2 -0.050000 12.0110 0 4346 W 4 PET H31 HAL2 0.090000 1.0080 0 4347 W 4 PET H32 HAL2 0.090000 1.0080 0 4348 W 4 PET CZ CAP 0.100000 12.0110 0 4349 W 4 PET C2 CL 0.630000 12.0110 0 4350 W 4 PET O21 OBL -0.520000 15.9990 0 4351 W 4 PET O22 OSL -0.340000 15.9990 0 4352 W 4 PET C4 CTL2 -0.050000 12.0110 0 4353 W 4 PET H41 HAL2 0.090000 1.0080 0 4354 W 4 PET H42 HAL2 0.090000 1.0080 0 4355 W 5 PET CD1 CAP -0.115000 12.0110 0 4356 W 5 PET HD1 HP 0.115000 1.0080 0 4357 W 5 PET CE1 CAP -0.115000 12.0110 0 4358 W 5 PET HE1 HP 0.115000 1.0080 0 4359 W 5 PET CD2 CAP -0.115000 12.0110 0 4360 W 5 PET HD2 HP 0.115000 1.0080 0 4361 W 5 PET CE2 CAP -0.115000 12.0110 0 4362 W 5 PET HE2 HP 0.115000 1.0080 0 4363 W 5 PET CG CAP 0.100000 12.0110 0 4364 W 5 PET C1 CL 0.630000 12.0110 0 4365 W 5 PET O11 OBL -0.520000 15.9990 0 4366 W 5 PET O12 OSL -0.340000 15.9990 0 4367 W 5 PET C3 CTL2 -0.050000 12.0110 0 4368 W 5 PET H31 HAL2 0.090000 1.0080 0 4369 W 5 PET H32 HAL2 0.090000 1.0080 0 4370 W 5 PET CZ CAP 0.100000 12.0110 0 4371 W 5 PET C2 CL 0.630000 12.0110 0 4372 W 5 PET O21 OBL -0.520000 15.9990 0 4373 W 5 PET O22 OSL -0.340000 15.9990 0 4374 W 5 PET C4 CTL2 -0.050000 12.0110 0 4375 W 5 PET H41 HAL2 0.090000 1.0080 0 4376 W 5 PET H42 HAL2 0.090000 1.0080 0 4377 W 6 PET CD1 CAP -0.115000 12.0110 0 4378 W 6 PET HD1 HP 0.115000 1.0080 0 4379 W 6 PET CE1 CAP -0.115000 12.0110 0 4380 W 6 PET HE1 HP 0.115000 1.0080 0 4381 W 6 PET CD2 CAP -0.115000 12.0110 0 4382 W 6 PET HD2 HP 0.115000 1.0080 0 4383 W 6 PET CE2 CAP -0.115000 12.0110 0 4384 W 6 PET HE2 HP 0.115000 1.0080 0 4385 W 6 PET CG CAP 0.100000 12.0110 0 4386 W 6 PET C1 CL 0.630000 12.0110 0 4387 W 6 PET O11 OBL -0.520000 15.9990 0 4388 W 6 PET O12 OSL -0.340000 15.9990 0 4389 W 6 PET C3 CTL2 -0.050000 12.0110 0 4390 W 6 PET H31 HAL2 0.090000 1.0080 0 4391 W 6 PET H32 HAL2 0.090000 1.0080 0 4392 W 6 PET CZ CAP 0.100000 12.0110 0 4393 W 6 PET C2 CL 0.630000 12.0110 0 4394 W 6 PET O21 OBL -0.520000 15.9990 0 4395 W 6 PET O22 OSL -0.340000 15.9990 0 4396 W 6 PET C4 CTL2 -0.050000 12.0110 0 4397 W 6 PET H41 HAL2 0.090000 1.0080 0 4398 W 6 PET H42 HAL2 0.090000 1.0080 0 4399 W 7 PET CD1 CAP -0.115000 12.0110 0 4400 W 7 PET HD1 HP 0.115000 1.0080 0 4401 W 7 PET CE1 CAP -0.115000 12.0110 0 4402 W 7 PET HE1 HP 0.115000 1.0080 0 4403 W 7 PET CD2 CAP -0.115000 12.0110 0 4404 W 7 PET HD2 HP 0.115000 1.0080 0 4405 W 7 PET CE2 CAP -0.115000 12.0110 0 4406 W 7 PET HE2 HP 0.115000 1.0080 0 4407 W 7 PET CG CAP 0.100000 12.0110 0 4408 W 7 PET C1 CL 0.630000 12.0110 0 4409 W 7 PET O11 OBL -0.520000 15.9990 0 4410 W 7 PET O12 OSL -0.340000 15.9990 0 4411 W 7 PET C3 CTL2 -0.050000 12.0110 0 4412 W 7 PET H31 HAL2 0.090000 1.0080 0 4413 W 7 PET H32 HAL2 0.090000 1.0080 0 4414 W 7 PET CZ CAP 0.100000 12.0110 0 4415 W 7 PET C2 CL 0.630000 12.0110 0 4416 W 7 PET O21 OBL -0.520000 15.9990 0 4417 W 7 PET O22 OSL -0.340000 15.9990 0 4418 W 7 PET C4 CTL2 -0.050000 12.0110 0 4419 W 7 PET H41 HAL2 0.090000 1.0080 0 4420 W 7 PET H42 HAL2 0.090000 1.0080 0 4421 W 8 PET CD1 CAP -0.115000 12.0110 0 4422 W 8 PET HD1 HP 0.115000 1.0080 0 4423 W 8 PET CE1 CAP -0.115000 12.0110 0 4424 W 8 PET HE1 HP 0.115000 1.0080 0 4425 W 8 PET CD2 CAP -0.115000 12.0110 0 4426 W 8 PET HD2 HP 0.115000 1.0080 0 4427 W 8 PET CE2 CAP -0.115000 12.0110 0 4428 W 8 PET HE2 HP 0.115000 1.0080 0 4429 W 8 PET CG CAP 0.100000 12.0110 0 4430 W 8 PET C1 CL 0.630000 12.0110 0 4431 W 8 PET O11 OBL -0.520000 15.9990 0 4432 W 8 PET O12 OSL -0.340000 15.9990 0 4433 W 8 PET C3 CTL2 -0.050000 12.0110 0 4434 W 8 PET H31 HAL2 0.090000 1.0080 0 4435 W 8 PET H32 HAL2 0.090000 1.0080 0 4436 W 8 PET CZ CAP 0.100000 12.0110 0 4437 W 8 PET C2 CL 0.630000 12.0110 0 4438 W 8 PET O21 OBL -0.520000 15.9990 0 4439 W 8 PET O22 OSL -0.340000 15.9990 0 4440 W 8 PET C4 CTL2 -0.050000 12.0110 0 4441 W 8 PET H41 HAL2 0.090000 1.0080 0 4442 W 8 PET H42 HAL2 0.090000 1.0080 0 4443 W 9 PET C1 CD 0.750000 12.0110 0 4444 W 9 PET O11 OB -0.550000 15.9990 0 4445 W 9 PET O12 OH1 -0.610000 15.9990 0 4446 W 9 PET CG CAP -0.030000 12.0110 0 4447 W 9 PET H12 H 0.440000 1.0080 0 4448 W 9 PET CD1 CAP -0.115000 12.0110 0 4449 W 9 PET HD1 HP 0.115000 1.0080 0 4450 W 9 PET CE1 CAP -0.115000 12.0110 0 4451 W 9 PET HE1 HP 0.115000 1.0080 0 4452 W 9 PET CD2 CAP -0.115000 12.0110 0 4453 W 9 PET HD2 HP 0.115000 1.0080 0 4454 W 9 PET CE2 CAP -0.115000 12.0110 0 4455 W 9 PET HE2 HP 0.115000 1.0080 0 4456 W 9 PET CZ CAP 0.100000 12.0110 0 4457 W 9 PET C2 CL 0.630000 12.0110 0 4458 W 9 PET O21 OBL -0.520000 15.9990 0 4459 W 9 PET O22 OSL -0.340000 15.9990 0 4460 W 9 PET C4 CTL2 -0.050000 12.0110 0 4461 W 9 PET H41 HAL2 0.090000 1.0080 0 4462 W 9 PET H42 HAL2 0.090000 1.0080 0 4463 X 1 PET C2 CD 0.750000 12.0110 0 4464 X 1 PET O21 OB -0.550000 15.9990 0 4465 X 1 PET O22 OH1 -0.610000 15.9990 0 4466 X 1 PET CZ CAP -0.030000 12.0110 0 4467 X 1 PET H22 H 0.440000 1.0080 0 4468 X 1 PET CD1 CAP -0.115000 12.0110 0 4469 X 1 PET HD1 HP 0.115000 1.0080 0 4470 X 1 PET CE1 CAP -0.115000 12.0110 0 4471 X 1 PET HE1 HP 0.115000 1.0080 0 4472 X 1 PET CD2 CAP -0.115000 12.0110 0 4473 X 1 PET HD2 HP 0.115000 1.0080 0 4474 X 1 PET CE2 CAP -0.115000 12.0110 0 4475 X 1 PET HE2 HP 0.115000 1.0080 0 4476 X 1 PET CG CAP 0.100000 12.0110 0 4477 X 1 PET C1 CL 0.630000 12.0110 0 4478 X 1 PET O11 OBL -0.520000 15.9990 0 4479 X 1 PET O12 OSL -0.340000 15.9990 0 4480 X 1 PET C3 CTL2 -0.050000 12.0110 0 4481 X 1 PET H31 HAL2 0.090000 1.0080 0 4482 X 1 PET H32 HAL2 0.090000 1.0080 0 4483 X 2 PET CD1 CAP -0.115000 12.0110 0 4484 X 2 PET HD1 HP 0.115000 1.0080 0 4485 X 2 PET CE1 CAP -0.115000 12.0110 0 4486 X 2 PET HE1 HP 0.115000 1.0080 0 4487 X 2 PET CD2 CAP -0.115000 12.0110 0 4488 X 2 PET HD2 HP 0.115000 1.0080 0 4489 X 2 PET CE2 CAP -0.115000 12.0110 0 4490 X 2 PET HE2 HP 0.115000 1.0080 0 4491 X 2 PET CG CAP 0.100000 12.0110 0 4492 X 2 PET C1 CL 0.630000 12.0110 0 4493 X 2 PET O11 OBL -0.520000 15.9990 0 4494 X 2 PET O12 OSL -0.340000 15.9990 0 4495 X 2 PET C3 CTL2 -0.050000 12.0110 0 4496 X 2 PET H31 HAL2 0.090000 1.0080 0 4497 X 2 PET H32 HAL2 0.090000 1.0080 0 4498 X 2 PET CZ CAP 0.100000 12.0110 0 4499 X 2 PET C2 CL 0.630000 12.0110 0 4500 X 2 PET O21 OBL -0.520000 15.9990 0 4501 X 2 PET O22 OSL -0.340000 15.9990 0 4502 X 2 PET C4 CTL2 -0.050000 12.0110 0 4503 X 2 PET H41 HAL2 0.090000 1.0080 0 4504 X 2 PET H42 HAL2 0.090000 1.0080 0 4505 X 3 PET CD1 CAP -0.115000 12.0110 0 4506 X 3 PET HD1 HP 0.115000 1.0080 0 4507 X 3 PET CE1 CAP -0.115000 12.0110 0 4508 X 3 PET HE1 HP 0.115000 1.0080 0 4509 X 3 PET CD2 CAP -0.115000 12.0110 0 4510 X 3 PET HD2 HP 0.115000 1.0080 0 4511 X 3 PET CE2 CAP -0.115000 12.0110 0 4512 X 3 PET HE2 HP 0.115000 1.0080 0 4513 X 3 PET CG CAP 0.100000 12.0110 0 4514 X 3 PET C1 CL 0.630000 12.0110 0 4515 X 3 PET O11 OBL -0.520000 15.9990 0 4516 X 3 PET O12 OSL -0.340000 15.9990 0 4517 X 3 PET C3 CTL2 -0.050000 12.0110 0 4518 X 3 PET H31 HAL2 0.090000 1.0080 0 4519 X 3 PET H32 HAL2 0.090000 1.0080 0 4520 X 3 PET CZ CAP 0.100000 12.0110 0 4521 X 3 PET C2 CL 0.630000 12.0110 0 4522 X 3 PET O21 OBL -0.520000 15.9990 0 4523 X 3 PET O22 OSL -0.340000 15.9990 0 4524 X 3 PET C4 CTL2 -0.050000 12.0110 0 4525 X 3 PET H41 HAL2 0.090000 1.0080 0 4526 X 3 PET H42 HAL2 0.090000 1.0080 0 4527 X 4 PET CD1 CAP -0.115000 12.0110 0 4528 X 4 PET HD1 HP 0.115000 1.0080 0 4529 X 4 PET CE1 CAP -0.115000 12.0110 0 4530 X 4 PET HE1 HP 0.115000 1.0080 0 4531 X 4 PET CD2 CAP -0.115000 12.0110 0 4532 X 4 PET HD2 HP 0.115000 1.0080 0 4533 X 4 PET CE2 CAP -0.115000 12.0110 0 4534 X 4 PET HE2 HP 0.115000 1.0080 0 4535 X 4 PET CG CAP 0.100000 12.0110 0 4536 X 4 PET C1 CL 0.630000 12.0110 0 4537 X 4 PET O11 OBL -0.520000 15.9990 0 4538 X 4 PET O12 OSL -0.340000 15.9990 0 4539 X 4 PET C3 CTL2 -0.050000 12.0110 0 4540 X 4 PET H31 HAL2 0.090000 1.0080 0 4541 X 4 PET H32 HAL2 0.090000 1.0080 0 4542 X 4 PET CZ CAP 0.100000 12.0110 0 4543 X 4 PET C2 CL 0.630000 12.0110 0 4544 X 4 PET O21 OBL -0.520000 15.9990 0 4545 X 4 PET O22 OSL -0.340000 15.9990 0 4546 X 4 PET C4 CTL2 -0.050000 12.0110 0 4547 X 4 PET H41 HAL2 0.090000 1.0080 0 4548 X 4 PET H42 HAL2 0.090000 1.0080 0 4549 X 5 PET CD1 CAP -0.115000 12.0110 0 4550 X 5 PET HD1 HP 0.115000 1.0080 0 4551 X 5 PET CE1 CAP -0.115000 12.0110 0 4552 X 5 PET HE1 HP 0.115000 1.0080 0 4553 X 5 PET CD2 CAP -0.115000 12.0110 0 4554 X 5 PET HD2 HP 0.115000 1.0080 0 4555 X 5 PET CE2 CAP -0.115000 12.0110 0 4556 X 5 PET HE2 HP 0.115000 1.0080 0 4557 X 5 PET CG CAP 0.100000 12.0110 0 4558 X 5 PET C1 CL 0.630000 12.0110 0 4559 X 5 PET O11 OBL -0.520000 15.9990 0 4560 X 5 PET O12 OSL -0.340000 15.9990 0 4561 X 5 PET C3 CTL2 -0.050000 12.0110 0 4562 X 5 PET H31 HAL2 0.090000 1.0080 0 4563 X 5 PET H32 HAL2 0.090000 1.0080 0 4564 X 5 PET CZ CAP 0.100000 12.0110 0 4565 X 5 PET C2 CL 0.630000 12.0110 0 4566 X 5 PET O21 OBL -0.520000 15.9990 0 4567 X 5 PET O22 OSL -0.340000 15.9990 0 4568 X 5 PET C4 CTL2 -0.050000 12.0110 0 4569 X 5 PET H41 HAL2 0.090000 1.0080 0 4570 X 5 PET H42 HAL2 0.090000 1.0080 0 4571 X 6 PET CD1 CAP -0.115000 12.0110 0 4572 X 6 PET HD1 HP 0.115000 1.0080 0 4573 X 6 PET CE1 CAP -0.115000 12.0110 0 4574 X 6 PET HE1 HP 0.115000 1.0080 0 4575 X 6 PET CD2 CAP -0.115000 12.0110 0 4576 X 6 PET HD2 HP 0.115000 1.0080 0 4577 X 6 PET CE2 CAP -0.115000 12.0110 0 4578 X 6 PET HE2 HP 0.115000 1.0080 0 4579 X 6 PET CG CAP 0.100000 12.0110 0 4580 X 6 PET C1 CL 0.630000 12.0110 0 4581 X 6 PET O11 OBL -0.520000 15.9990 0 4582 X 6 PET O12 OSL -0.340000 15.9990 0 4583 X 6 PET C3 CTL2 -0.050000 12.0110 0 4584 X 6 PET H31 HAL2 0.090000 1.0080 0 4585 X 6 PET H32 HAL2 0.090000 1.0080 0 4586 X 6 PET CZ CAP 0.100000 12.0110 0 4587 X 6 PET C2 CL 0.630000 12.0110 0 4588 X 6 PET O21 OBL -0.520000 15.9990 0 4589 X 6 PET O22 OSL -0.340000 15.9990 0 4590 X 6 PET C4 CTL2 -0.050000 12.0110 0 4591 X 6 PET H41 HAL2 0.090000 1.0080 0 4592 X 6 PET H42 HAL2 0.090000 1.0080 0 4593 X 7 PET CD1 CAP -0.115000 12.0110 0 4594 X 7 PET HD1 HP 0.115000 1.0080 0 4595 X 7 PET CE1 CAP -0.115000 12.0110 0 4596 X 7 PET HE1 HP 0.115000 1.0080 0 4597 X 7 PET CD2 CAP -0.115000 12.0110 0 4598 X 7 PET HD2 HP 0.115000 1.0080 0 4599 X 7 PET CE2 CAP -0.115000 12.0110 0 4600 X 7 PET HE2 HP 0.115000 1.0080 0 4601 X 7 PET CG CAP 0.100000 12.0110 0 4602 X 7 PET C1 CL 0.630000 12.0110 0 4603 X 7 PET O11 OBL -0.520000 15.9990 0 4604 X 7 PET O12 OSL -0.340000 15.9990 0 4605 X 7 PET C3 CTL2 -0.050000 12.0110 0 4606 X 7 PET H31 HAL2 0.090000 1.0080 0 4607 X 7 PET H32 HAL2 0.090000 1.0080 0 4608 X 7 PET CZ CAP 0.100000 12.0110 0 4609 X 7 PET C2 CL 0.630000 12.0110 0 4610 X 7 PET O21 OBL -0.520000 15.9990 0 4611 X 7 PET O22 OSL -0.340000 15.9990 0 4612 X 7 PET C4 CTL2 -0.050000 12.0110 0 4613 X 7 PET H41 HAL2 0.090000 1.0080 0 4614 X 7 PET H42 HAL2 0.090000 1.0080 0 4615 X 8 PET CD1 CAP -0.115000 12.0110 0 4616 X 8 PET HD1 HP 0.115000 1.0080 0 4617 X 8 PET CE1 CAP -0.115000 12.0110 0 4618 X 8 PET HE1 HP 0.115000 1.0080 0 4619 X 8 PET CD2 CAP -0.115000 12.0110 0 4620 X 8 PET HD2 HP 0.115000 1.0080 0 4621 X 8 PET CE2 CAP -0.115000 12.0110 0 4622 X 8 PET HE2 HP 0.115000 1.0080 0 4623 X 8 PET CG CAP 0.100000 12.0110 0 4624 X 8 PET C1 CL 0.630000 12.0110 0 4625 X 8 PET O11 OBL -0.520000 15.9990 0 4626 X 8 PET O12 OSL -0.340000 15.9990 0 4627 X 8 PET C3 CTL2 -0.050000 12.0110 0 4628 X 8 PET H31 HAL2 0.090000 1.0080 0 4629 X 8 PET H32 HAL2 0.090000 1.0080 0 4630 X 8 PET CZ CAP 0.100000 12.0110 0 4631 X 8 PET C2 CL 0.630000 12.0110 0 4632 X 8 PET O21 OBL -0.520000 15.9990 0 4633 X 8 PET O22 OSL -0.340000 15.9990 0 4634 X 8 PET C4 CTL2 -0.050000 12.0110 0 4635 X 8 PET H41 HAL2 0.090000 1.0080 0 4636 X 8 PET H42 HAL2 0.090000 1.0080 0 4637 X 9 PET C1 CD 0.750000 12.0110 0 4638 X 9 PET O11 OB -0.550000 15.9990 0 4639 X 9 PET O12 OH1 -0.610000 15.9990 0 4640 X 9 PET CG CAP -0.030000 12.0110 0 4641 X 9 PET H12 H 0.440000 1.0080 0 4642 X 9 PET CD1 CAP -0.115000 12.0110 0 4643 X 9 PET HD1 HP 0.115000 1.0080 0 4644 X 9 PET CE1 CAP -0.115000 12.0110 0 4645 X 9 PET HE1 HP 0.115000 1.0080 0 4646 X 9 PET CD2 CAP -0.115000 12.0110 0 4647 X 9 PET HD2 HP 0.115000 1.0080 0 4648 X 9 PET CE2 CAP -0.115000 12.0110 0 4649 X 9 PET HE2 HP 0.115000 1.0080 0 4650 X 9 PET CZ CAP 0.100000 12.0110 0 4651 X 9 PET C2 CL 0.630000 12.0110 0 4652 X 9 PET O21 OBL -0.520000 15.9990 0 4653 X 9 PET O22 OSL -0.340000 15.9990 0 4654 X 9 PET C4 CTL2 -0.050000 12.0110 0 4655 X 9 PET H41 HAL2 0.090000 1.0080 0 4656 X 9 PET H42 HAL2 0.090000 1.0080 0 4657 Y 1 PET C2 CD 0.750000 12.0110 0 4658 Y 1 PET O21 OB -0.550000 15.9990 0 4659 Y 1 PET O22 OH1 -0.610000 15.9990 0 4660 Y 1 PET CZ CAP -0.030000 12.0110 0 4661 Y 1 PET H22 H 0.440000 1.0080 0 4662 Y 1 PET CD1 CAP -0.115000 12.0110 0 4663 Y 1 PET HD1 HP 0.115000 1.0080 0 4664 Y 1 PET CE1 CAP -0.115000 12.0110 0 4665 Y 1 PET HE1 HP 0.115000 1.0080 0 4666 Y 1 PET CD2 CAP -0.115000 12.0110 0 4667 Y 1 PET HD2 HP 0.115000 1.0080 0 4668 Y 1 PET CE2 CAP -0.115000 12.0110 0 4669 Y 1 PET HE2 HP 0.115000 1.0080 0 4670 Y 1 PET CG CAP 0.100000 12.0110 0 4671 Y 1 PET C1 CL 0.630000 12.0110 0 4672 Y 1 PET O11 OBL -0.520000 15.9990 0 4673 Y 1 PET O12 OSL -0.340000 15.9990 0 4674 Y 1 PET C3 CTL2 -0.050000 12.0110 0 4675 Y 1 PET H31 HAL2 0.090000 1.0080 0 4676 Y 1 PET H32 HAL2 0.090000 1.0080 0 4677 Y 2 PET CD1 CAP -0.115000 12.0110 0 4678 Y 2 PET HD1 HP 0.115000 1.0080 0 4679 Y 2 PET CE1 CAP -0.115000 12.0110 0 4680 Y 2 PET HE1 HP 0.115000 1.0080 0 4681 Y 2 PET CD2 CAP -0.115000 12.0110 0 4682 Y 2 PET HD2 HP 0.115000 1.0080 0 4683 Y 2 PET CE2 CAP -0.115000 12.0110 0 4684 Y 2 PET HE2 HP 0.115000 1.0080 0 4685 Y 2 PET CG CAP 0.100000 12.0110 0 4686 Y 2 PET C1 CL 0.630000 12.0110 0 4687 Y 2 PET O11 OBL -0.520000 15.9990 0 4688 Y 2 PET O12 OSL -0.340000 15.9990 0 4689 Y 2 PET C3 CTL2 -0.050000 12.0110 0 4690 Y 2 PET H31 HAL2 0.090000 1.0080 0 4691 Y 2 PET H32 HAL2 0.090000 1.0080 0 4692 Y 2 PET CZ CAP 0.100000 12.0110 0 4693 Y 2 PET C2 CL 0.630000 12.0110 0 4694 Y 2 PET O21 OBL -0.520000 15.9990 0 4695 Y 2 PET O22 OSL -0.340000 15.9990 0 4696 Y 2 PET C4 CTL2 -0.050000 12.0110 0 4697 Y 2 PET H41 HAL2 0.090000 1.0080 0 4698 Y 2 PET H42 HAL2 0.090000 1.0080 0 4699 Y 3 PET CD1 CAP -0.115000 12.0110 0 4700 Y 3 PET HD1 HP 0.115000 1.0080 0 4701 Y 3 PET CE1 CAP -0.115000 12.0110 0 4702 Y 3 PET HE1 HP 0.115000 1.0080 0 4703 Y 3 PET CD2 CAP -0.115000 12.0110 0 4704 Y 3 PET HD2 HP 0.115000 1.0080 0 4705 Y 3 PET CE2 CAP -0.115000 12.0110 0 4706 Y 3 PET HE2 HP 0.115000 1.0080 0 4707 Y 3 PET CG CAP 0.100000 12.0110 0 4708 Y 3 PET C1 CL 0.630000 12.0110 0 4709 Y 3 PET O11 OBL -0.520000 15.9990 0 4710 Y 3 PET O12 OSL -0.340000 15.9990 0 4711 Y 3 PET C3 CTL2 -0.050000 12.0110 0 4712 Y 3 PET H31 HAL2 0.090000 1.0080 0 4713 Y 3 PET H32 HAL2 0.090000 1.0080 0 4714 Y 3 PET CZ CAP 0.100000 12.0110 0 4715 Y 3 PET C2 CL 0.630000 12.0110 0 4716 Y 3 PET O21 OBL -0.520000 15.9990 0 4717 Y 3 PET O22 OSL -0.340000 15.9990 0 4718 Y 3 PET C4 CTL2 -0.050000 12.0110 0 4719 Y 3 PET H41 HAL2 0.090000 1.0080 0 4720 Y 3 PET H42 HAL2 0.090000 1.0080 0 4721 Y 4 PET CD1 CAP -0.115000 12.0110 0 4722 Y 4 PET HD1 HP 0.115000 1.0080 0 4723 Y 4 PET CE1 CAP -0.115000 12.0110 0 4724 Y 4 PET HE1 HP 0.115000 1.0080 0 4725 Y 4 PET CD2 CAP -0.115000 12.0110 0 4726 Y 4 PET HD2 HP 0.115000 1.0080 0 4727 Y 4 PET CE2 CAP -0.115000 12.0110 0 4728 Y 4 PET HE2 HP 0.115000 1.0080 0 4729 Y 4 PET CG CAP 0.100000 12.0110 0 4730 Y 4 PET C1 CL 0.630000 12.0110 0 4731 Y 4 PET O11 OBL -0.520000 15.9990 0 4732 Y 4 PET O12 OSL -0.340000 15.9990 0 4733 Y 4 PET C3 CTL2 -0.050000 12.0110 0 4734 Y 4 PET H31 HAL2 0.090000 1.0080 0 4735 Y 4 PET H32 HAL2 0.090000 1.0080 0 4736 Y 4 PET CZ CAP 0.100000 12.0110 0 4737 Y 4 PET C2 CL 0.630000 12.0110 0 4738 Y 4 PET O21 OBL -0.520000 15.9990 0 4739 Y 4 PET O22 OSL -0.340000 15.9990 0 4740 Y 4 PET C4 CTL2 -0.050000 12.0110 0 4741 Y 4 PET H41 HAL2 0.090000 1.0080 0 4742 Y 4 PET H42 HAL2 0.090000 1.0080 0 4743 Y 5 PET CD1 CAP -0.115000 12.0110 0 4744 Y 5 PET HD1 HP 0.115000 1.0080 0 4745 Y 5 PET CE1 CAP -0.115000 12.0110 0 4746 Y 5 PET HE1 HP 0.115000 1.0080 0 4747 Y 5 PET CD2 CAP -0.115000 12.0110 0 4748 Y 5 PET HD2 HP 0.115000 1.0080 0 4749 Y 5 PET CE2 CAP -0.115000 12.0110 0 4750 Y 5 PET HE2 HP 0.115000 1.0080 0 4751 Y 5 PET CG CAP 0.100000 12.0110 0 4752 Y 5 PET C1 CL 0.630000 12.0110 0 4753 Y 5 PET O11 OBL -0.520000 15.9990 0 4754 Y 5 PET O12 OSL -0.340000 15.9990 0 4755 Y 5 PET C3 CTL2 -0.050000 12.0110 0 4756 Y 5 PET H31 HAL2 0.090000 1.0080 0 4757 Y 5 PET H32 HAL2 0.090000 1.0080 0 4758 Y 5 PET CZ CAP 0.100000 12.0110 0 4759 Y 5 PET C2 CL 0.630000 12.0110 0 4760 Y 5 PET O21 OBL -0.520000 15.9990 0 4761 Y 5 PET O22 OSL -0.340000 15.9990 0 4762 Y 5 PET C4 CTL2 -0.050000 12.0110 0 4763 Y 5 PET H41 HAL2 0.090000 1.0080 0 4764 Y 5 PET H42 HAL2 0.090000 1.0080 0 4765 Y 6 PET CD1 CAP -0.115000 12.0110 0 4766 Y 6 PET HD1 HP 0.115000 1.0080 0 4767 Y 6 PET CE1 CAP -0.115000 12.0110 0 4768 Y 6 PET HE1 HP 0.115000 1.0080 0 4769 Y 6 PET CD2 CAP -0.115000 12.0110 0 4770 Y 6 PET HD2 HP 0.115000 1.0080 0 4771 Y 6 PET CE2 CAP -0.115000 12.0110 0 4772 Y 6 PET HE2 HP 0.115000 1.0080 0 4773 Y 6 PET CG CAP 0.100000 12.0110 0 4774 Y 6 PET C1 CL 0.630000 12.0110 0 4775 Y 6 PET O11 OBL -0.520000 15.9990 0 4776 Y 6 PET O12 OSL -0.340000 15.9990 0 4777 Y 6 PET C3 CTL2 -0.050000 12.0110 0 4778 Y 6 PET H31 HAL2 0.090000 1.0080 0 4779 Y 6 PET H32 HAL2 0.090000 1.0080 0 4780 Y 6 PET CZ CAP 0.100000 12.0110 0 4781 Y 6 PET C2 CL 0.630000 12.0110 0 4782 Y 6 PET O21 OBL -0.520000 15.9990 0 4783 Y 6 PET O22 OSL -0.340000 15.9990 0 4784 Y 6 PET C4 CTL2 -0.050000 12.0110 0 4785 Y 6 PET H41 HAL2 0.090000 1.0080 0 4786 Y 6 PET H42 HAL2 0.090000 1.0080 0 4787 Y 7 PET CD1 CAP -0.115000 12.0110 0 4788 Y 7 PET HD1 HP 0.115000 1.0080 0 4789 Y 7 PET CE1 CAP -0.115000 12.0110 0 4790 Y 7 PET HE1 HP 0.115000 1.0080 0 4791 Y 7 PET CD2 CAP -0.115000 12.0110 0 4792 Y 7 PET HD2 HP 0.115000 1.0080 0 4793 Y 7 PET CE2 CAP -0.115000 12.0110 0 4794 Y 7 PET HE2 HP 0.115000 1.0080 0 4795 Y 7 PET CG CAP 0.100000 12.0110 0 4796 Y 7 PET C1 CL 0.630000 12.0110 0 4797 Y 7 PET O11 OBL -0.520000 15.9990 0 4798 Y 7 PET O12 OSL -0.340000 15.9990 0 4799 Y 7 PET C3 CTL2 -0.050000 12.0110 0 4800 Y 7 PET H31 HAL2 0.090000 1.0080 0 4801 Y 7 PET H32 HAL2 0.090000 1.0080 0 4802 Y 7 PET CZ CAP 0.100000 12.0110 0 4803 Y 7 PET C2 CL 0.630000 12.0110 0 4804 Y 7 PET O21 OBL -0.520000 15.9990 0 4805 Y 7 PET O22 OSL -0.340000 15.9990 0 4806 Y 7 PET C4 CTL2 -0.050000 12.0110 0 4807 Y 7 PET H41 HAL2 0.090000 1.0080 0 4808 Y 7 PET H42 HAL2 0.090000 1.0080 0 4809 Y 8 PET CD1 CAP -0.115000 12.0110 0 4810 Y 8 PET HD1 HP 0.115000 1.0080 0 4811 Y 8 PET CE1 CAP -0.115000 12.0110 0 4812 Y 8 PET HE1 HP 0.115000 1.0080 0 4813 Y 8 PET CD2 CAP -0.115000 12.0110 0 4814 Y 8 PET HD2 HP 0.115000 1.0080 0 4815 Y 8 PET CE2 CAP -0.115000 12.0110 0 4816 Y 8 PET HE2 HP 0.115000 1.0080 0 4817 Y 8 PET CG CAP 0.100000 12.0110 0 4818 Y 8 PET C1 CL 0.630000 12.0110 0 4819 Y 8 PET O11 OBL -0.520000 15.9990 0 4820 Y 8 PET O12 OSL -0.340000 15.9990 0 4821 Y 8 PET C3 CTL2 -0.050000 12.0110 0 4822 Y 8 PET H31 HAL2 0.090000 1.0080 0 4823 Y 8 PET H32 HAL2 0.090000 1.0080 0 4824 Y 8 PET CZ CAP 0.100000 12.0110 0 4825 Y 8 PET C2 CL 0.630000 12.0110 0 4826 Y 8 PET O21 OBL -0.520000 15.9990 0 4827 Y 8 PET O22 OSL -0.340000 15.9990 0 4828 Y 8 PET C4 CTL2 -0.050000 12.0110 0 4829 Y 8 PET H41 HAL2 0.090000 1.0080 0 4830 Y 8 PET H42 HAL2 0.090000 1.0080 0 4831 Y 9 PET C1 CD 0.750000 12.0110 0 4832 Y 9 PET O11 OB -0.550000 15.9990 0 4833 Y 9 PET O12 OH1 -0.610000 15.9990 0 4834 Y 9 PET CG CAP -0.030000 12.0110 0 4835 Y 9 PET H12 H 0.440000 1.0080 0 4836 Y 9 PET CD1 CAP -0.115000 12.0110 0 4837 Y 9 PET HD1 HP 0.115000 1.0080 0 4838 Y 9 PET CE1 CAP -0.115000 12.0110 0 4839 Y 9 PET HE1 HP 0.115000 1.0080 0 4840 Y 9 PET CD2 CAP -0.115000 12.0110 0 4841 Y 9 PET HD2 HP 0.115000 1.0080 0 4842 Y 9 PET CE2 CAP -0.115000 12.0110 0 4843 Y 9 PET HE2 HP 0.115000 1.0080 0 4844 Y 9 PET CZ CAP 0.100000 12.0110 0 4845 Y 9 PET C2 CL 0.630000 12.0110 0 4846 Y 9 PET O21 OBL -0.520000 15.9990 0 4847 Y 9 PET O22 OSL -0.340000 15.9990 0 4848 Y 9 PET C4 CTL2 -0.050000 12.0110 0 4849 Y 9 PET H41 HAL2 0.090000 1.0080 0 4850 Y 9 PET H42 HAL2 0.090000 1.0080 0 4851 Z 1 PET C2 CD 0.750000 12.0110 0 4852 Z 1 PET O21 OB -0.550000 15.9990 0 4853 Z 1 PET O22 OH1 -0.610000 15.9990 0 4854 Z 1 PET CZ CAP -0.030000 12.0110 0 4855 Z 1 PET H22 H 0.440000 1.0080 0 4856 Z 1 PET CD1 CAP -0.115000 12.0110 0 4857 Z 1 PET HD1 HP 0.115000 1.0080 0 4858 Z 1 PET CE1 CAP -0.115000 12.0110 0 4859 Z 1 PET HE1 HP 0.115000 1.0080 0 4860 Z 1 PET CD2 CAP -0.115000 12.0110 0 4861 Z 1 PET HD2 HP 0.115000 1.0080 0 4862 Z 1 PET CE2 CAP -0.115000 12.0110 0 4863 Z 1 PET HE2 HP 0.115000 1.0080 0 4864 Z 1 PET CG CAP 0.100000 12.0110 0 4865 Z 1 PET C1 CL 0.630000 12.0110 0 4866 Z 1 PET O11 OBL -0.520000 15.9990 0 4867 Z 1 PET O12 OSL -0.340000 15.9990 0 4868 Z 1 PET C3 CTL2 -0.050000 12.0110 0 4869 Z 1 PET H31 HAL2 0.090000 1.0080 0 4870 Z 1 PET H32 HAL2 0.090000 1.0080 0 4871 Z 2 PET CD1 CAP -0.115000 12.0110 0 4872 Z 2 PET HD1 HP 0.115000 1.0080 0 4873 Z 2 PET CE1 CAP -0.115000 12.0110 0 4874 Z 2 PET HE1 HP 0.115000 1.0080 0 4875 Z 2 PET CD2 CAP -0.115000 12.0110 0 4876 Z 2 PET HD2 HP 0.115000 1.0080 0 4877 Z 2 PET CE2 CAP -0.115000 12.0110 0 4878 Z 2 PET HE2 HP 0.115000 1.0080 0 4879 Z 2 PET CG CAP 0.100000 12.0110 0 4880 Z 2 PET C1 CL 0.630000 12.0110 0 4881 Z 2 PET O11 OBL -0.520000 15.9990 0 4882 Z 2 PET O12 OSL -0.340000 15.9990 0 4883 Z 2 PET C3 CTL2 -0.050000 12.0110 0 4884 Z 2 PET H31 HAL2 0.090000 1.0080 0 4885 Z 2 PET H32 HAL2 0.090000 1.0080 0 4886 Z 2 PET CZ CAP 0.100000 12.0110 0 4887 Z 2 PET C2 CL 0.630000 12.0110 0 4888 Z 2 PET O21 OBL -0.520000 15.9990 0 4889 Z 2 PET O22 OSL -0.340000 15.9990 0 4890 Z 2 PET C4 CTL2 -0.050000 12.0110 0 4891 Z 2 PET H41 HAL2 0.090000 1.0080 0 4892 Z 2 PET H42 HAL2 0.090000 1.0080 0 4893 Z 3 PET CD1 CAP -0.115000 12.0110 0 4894 Z 3 PET HD1 HP 0.115000 1.0080 0 4895 Z 3 PET CE1 CAP -0.115000 12.0110 0 4896 Z 3 PET HE1 HP 0.115000 1.0080 0 4897 Z 3 PET CD2 CAP -0.115000 12.0110 0 4898 Z 3 PET HD2 HP 0.115000 1.0080 0 4899 Z 3 PET CE2 CAP -0.115000 12.0110 0 4900 Z 3 PET HE2 HP 0.115000 1.0080 0 4901 Z 3 PET CG CAP 0.100000 12.0110 0 4902 Z 3 PET C1 CL 0.630000 12.0110 0 4903 Z 3 PET O11 OBL -0.520000 15.9990 0 4904 Z 3 PET O12 OSL -0.340000 15.9990 0 4905 Z 3 PET C3 CTL2 -0.050000 12.0110 0 4906 Z 3 PET H31 HAL2 0.090000 1.0080 0 4907 Z 3 PET H32 HAL2 0.090000 1.0080 0 4908 Z 3 PET CZ CAP 0.100000 12.0110 0 4909 Z 3 PET C2 CL 0.630000 12.0110 0 4910 Z 3 PET O21 OBL -0.520000 15.9990 0 4911 Z 3 PET O22 OSL -0.340000 15.9990 0 4912 Z 3 PET C4 CTL2 -0.050000 12.0110 0 4913 Z 3 PET H41 HAL2 0.090000 1.0080 0 4914 Z 3 PET H42 HAL2 0.090000 1.0080 0 4915 Z 4 PET CD1 CAP -0.115000 12.0110 0 4916 Z 4 PET HD1 HP 0.115000 1.0080 0 4917 Z 4 PET CE1 CAP -0.115000 12.0110 0 4918 Z 4 PET HE1 HP 0.115000 1.0080 0 4919 Z 4 PET CD2 CAP -0.115000 12.0110 0 4920 Z 4 PET HD2 HP 0.115000 1.0080 0 4921 Z 4 PET CE2 CAP -0.115000 12.0110 0 4922 Z 4 PET HE2 HP 0.115000 1.0080 0 4923 Z 4 PET CG CAP 0.100000 12.0110 0 4924 Z 4 PET C1 CL 0.630000 12.0110 0 4925 Z 4 PET O11 OBL -0.520000 15.9990 0 4926 Z 4 PET O12 OSL -0.340000 15.9990 0 4927 Z 4 PET C3 CTL2 -0.050000 12.0110 0 4928 Z 4 PET H31 HAL2 0.090000 1.0080 0 4929 Z 4 PET H32 HAL2 0.090000 1.0080 0 4930 Z 4 PET CZ CAP 0.100000 12.0110 0 4931 Z 4 PET C2 CL 0.630000 12.0110 0 4932 Z 4 PET O21 OBL -0.520000 15.9990 0 4933 Z 4 PET O22 OSL -0.340000 15.9990 0 4934 Z 4 PET C4 CTL2 -0.050000 12.0110 0 4935 Z 4 PET H41 HAL2 0.090000 1.0080 0 4936 Z 4 PET H42 HAL2 0.090000 1.0080 0 4937 Z 5 PET CD1 CAP -0.115000 12.0110 0 4938 Z 5 PET HD1 HP 0.115000 1.0080 0 4939 Z 5 PET CE1 CAP -0.115000 12.0110 0 4940 Z 5 PET HE1 HP 0.115000 1.0080 0 4941 Z 5 PET CD2 CAP -0.115000 12.0110 0 4942 Z 5 PET HD2 HP 0.115000 1.0080 0 4943 Z 5 PET CE2 CAP -0.115000 12.0110 0 4944 Z 5 PET HE2 HP 0.115000 1.0080 0 4945 Z 5 PET CG CAP 0.100000 12.0110 0 4946 Z 5 PET C1 CL 0.630000 12.0110 0 4947 Z 5 PET O11 OBL -0.520000 15.9990 0 4948 Z 5 PET O12 OSL -0.340000 15.9990 0 4949 Z 5 PET C3 CTL2 -0.050000 12.0110 0 4950 Z 5 PET H31 HAL2 0.090000 1.0080 0 4951 Z 5 PET H32 HAL2 0.090000 1.0080 0 4952 Z 5 PET CZ CAP 0.100000 12.0110 0 4953 Z 5 PET C2 CL 0.630000 12.0110 0 4954 Z 5 PET O21 OBL -0.520000 15.9990 0 4955 Z 5 PET O22 OSL -0.340000 15.9990 0 4956 Z 5 PET C4 CTL2 -0.050000 12.0110 0 4957 Z 5 PET H41 HAL2 0.090000 1.0080 0 4958 Z 5 PET H42 HAL2 0.090000 1.0080 0 4959 Z 6 PET CD1 CAP -0.115000 12.0110 0 4960 Z 6 PET HD1 HP 0.115000 1.0080 0 4961 Z 6 PET CE1 CAP -0.115000 12.0110 0 4962 Z 6 PET HE1 HP 0.115000 1.0080 0 4963 Z 6 PET CD2 CAP -0.115000 12.0110 0 4964 Z 6 PET HD2 HP 0.115000 1.0080 0 4965 Z 6 PET CE2 CAP -0.115000 12.0110 0 4966 Z 6 PET HE2 HP 0.115000 1.0080 0 4967 Z 6 PET CG CAP 0.100000 12.0110 0 4968 Z 6 PET C1 CL 0.630000 12.0110 0 4969 Z 6 PET O11 OBL -0.520000 15.9990 0 4970 Z 6 PET O12 OSL -0.340000 15.9990 0 4971 Z 6 PET C3 CTL2 -0.050000 12.0110 0 4972 Z 6 PET H31 HAL2 0.090000 1.0080 0 4973 Z 6 PET H32 HAL2 0.090000 1.0080 0 4974 Z 6 PET CZ CAP 0.100000 12.0110 0 4975 Z 6 PET C2 CL 0.630000 12.0110 0 4976 Z 6 PET O21 OBL -0.520000 15.9990 0 4977 Z 6 PET O22 OSL -0.340000 15.9990 0 4978 Z 6 PET C4 CTL2 -0.050000 12.0110 0 4979 Z 6 PET H41 HAL2 0.090000 1.0080 0 4980 Z 6 PET H42 HAL2 0.090000 1.0080 0 4981 Z 7 PET CD1 CAP -0.115000 12.0110 0 4982 Z 7 PET HD1 HP 0.115000 1.0080 0 4983 Z 7 PET CE1 CAP -0.115000 12.0110 0 4984 Z 7 PET HE1 HP 0.115000 1.0080 0 4985 Z 7 PET CD2 CAP -0.115000 12.0110 0 4986 Z 7 PET HD2 HP 0.115000 1.0080 0 4987 Z 7 PET CE2 CAP -0.115000 12.0110 0 4988 Z 7 PET HE2 HP 0.115000 1.0080 0 4989 Z 7 PET CG CAP 0.100000 12.0110 0 4990 Z 7 PET C1 CL 0.630000 12.0110 0 4991 Z 7 PET O11 OBL -0.520000 15.9990 0 4992 Z 7 PET O12 OSL -0.340000 15.9990 0 4993 Z 7 PET C3 CTL2 -0.050000 12.0110 0 4994 Z 7 PET H31 HAL2 0.090000 1.0080 0 4995 Z 7 PET H32 HAL2 0.090000 1.0080 0 4996 Z 7 PET CZ CAP 0.100000 12.0110 0 4997 Z 7 PET C2 CL 0.630000 12.0110 0 4998 Z 7 PET O21 OBL -0.520000 15.9990 0 4999 Z 7 PET O22 OSL -0.340000 15.9990 0 5000 Z 7 PET C4 CTL2 -0.050000 12.0110 0 5001 Z 7 PET H41 HAL2 0.090000 1.0080 0 5002 Z 7 PET H42 HAL2 0.090000 1.0080 0 5003 Z 8 PET CD1 CAP -0.115000 12.0110 0 5004 Z 8 PET HD1 HP 0.115000 1.0080 0 5005 Z 8 PET CE1 CAP -0.115000 12.0110 0 5006 Z 8 PET HE1 HP 0.115000 1.0080 0 5007 Z 8 PET CD2 CAP -0.115000 12.0110 0 5008 Z 8 PET HD2 HP 0.115000 1.0080 0 5009 Z 8 PET CE2 CAP -0.115000 12.0110 0 5010 Z 8 PET HE2 HP 0.115000 1.0080 0 5011 Z 8 PET CG CAP 0.100000 12.0110 0 5012 Z 8 PET C1 CL 0.630000 12.0110 0 5013 Z 8 PET O11 OBL -0.520000 15.9990 0 5014 Z 8 PET O12 OSL -0.340000 15.9990 0 5015 Z 8 PET C3 CTL2 -0.050000 12.0110 0 5016 Z 8 PET H31 HAL2 0.090000 1.0080 0 5017 Z 8 PET H32 HAL2 0.090000 1.0080 0 5018 Z 8 PET CZ CAP 0.100000 12.0110 0 5019 Z 8 PET C2 CL 0.630000 12.0110 0 5020 Z 8 PET O21 OBL -0.520000 15.9990 0 5021 Z 8 PET O22 OSL -0.340000 15.9990 0 5022 Z 8 PET C4 CTL2 -0.050000 12.0110 0 5023 Z 8 PET H41 HAL2 0.090000 1.0080 0 5024 Z 8 PET H42 HAL2 0.090000 1.0080 0 5025 Z 9 PET C1 CD 0.750000 12.0110 0 5026 Z 9 PET O11 OB -0.550000 15.9990 0 5027 Z 9 PET O12 OH1 -0.610000 15.9990 0 5028 Z 9 PET CG CAP -0.030000 12.0110 0 5029 Z 9 PET H12 H 0.440000 1.0080 0 5030 Z 9 PET CD1 CAP -0.115000 12.0110 0 5031 Z 9 PET HD1 HP 0.115000 1.0080 0 5032 Z 9 PET CE1 CAP -0.115000 12.0110 0 5033 Z 9 PET HE1 HP 0.115000 1.0080 0 5034 Z 9 PET CD2 CAP -0.115000 12.0110 0 5035 Z 9 PET HD2 HP 0.115000 1.0080 0 5036 Z 9 PET CE2 CAP -0.115000 12.0110 0 5037 Z 9 PET HE2 HP 0.115000 1.0080 0 5038 Z 9 PET CZ CAP 0.100000 12.0110 0 5039 Z 9 PET C2 CL 0.630000 12.0110 0 5040 Z 9 PET O21 OBL -0.520000 15.9990 0 5041 Z 9 PET O22 OSL -0.340000 15.9990 0 5042 Z 9 PET C4 CTL2 -0.050000 12.0110 0 5043 Z 9 PET H41 HAL2 0.090000 1.0080 0 5044 Z 9 PET H42 HAL2 0.090000 1.0080 0 5045 AA 1 PET C2 CD 0.750000 12.0110 0 5046 AA 1 PET O21 OB -0.550000 15.9990 0 5047 AA 1 PET O22 OH1 -0.610000 15.9990 0 5048 AA 1 PET CZ CAP -0.030000 12.0110 0 5049 AA 1 PET H22 H 0.440000 1.0080 0 5050 AA 1 PET CD1 CAP -0.115000 12.0110 0 5051 AA 1 PET HD1 HP 0.115000 1.0080 0 5052 AA 1 PET CE1 CAP -0.115000 12.0110 0 5053 AA 1 PET HE1 HP 0.115000 1.0080 0 5054 AA 1 PET CD2 CAP -0.115000 12.0110 0 5055 AA 1 PET HD2 HP 0.115000 1.0080 0 5056 AA 1 PET CE2 CAP -0.115000 12.0110 0 5057 AA 1 PET HE2 HP 0.115000 1.0080 0 5058 AA 1 PET CG CAP 0.100000 12.0110 0 5059 AA 1 PET C1 CL 0.630000 12.0110 0 5060 AA 1 PET O11 OBL -0.520000 15.9990 0 5061 AA 1 PET O12 OSL -0.340000 15.9990 0 5062 AA 1 PET C3 CTL2 -0.050000 12.0110 0 5063 AA 1 PET H31 HAL2 0.090000 1.0080 0 5064 AA 1 PET H32 HAL2 0.090000 1.0080 0 5065 AA 2 PET CD1 CAP -0.115000 12.0110 0 5066 AA 2 PET HD1 HP 0.115000 1.0080 0 5067 AA 2 PET CE1 CAP -0.115000 12.0110 0 5068 AA 2 PET HE1 HP 0.115000 1.0080 0 5069 AA 2 PET CD2 CAP -0.115000 12.0110 0 5070 AA 2 PET HD2 HP 0.115000 1.0080 0 5071 AA 2 PET CE2 CAP -0.115000 12.0110 0 5072 AA 2 PET HE2 HP 0.115000 1.0080 0 5073 AA 2 PET CG CAP 0.100000 12.0110 0 5074 AA 2 PET C1 CL 0.630000 12.0110 0 5075 AA 2 PET O11 OBL -0.520000 15.9990 0 5076 AA 2 PET O12 OSL -0.340000 15.9990 0 5077 AA 2 PET C3 CTL2 -0.050000 12.0110 0 5078 AA 2 PET H31 HAL2 0.090000 1.0080 0 5079 AA 2 PET H32 HAL2 0.090000 1.0080 0 5080 AA 2 PET CZ CAP 0.100000 12.0110 0 5081 AA 2 PET C2 CL 0.630000 12.0110 0 5082 AA 2 PET O21 OBL -0.520000 15.9990 0 5083 AA 2 PET O22 OSL -0.340000 15.9990 0 5084 AA 2 PET C4 CTL2 -0.050000 12.0110 0 5085 AA 2 PET H41 HAL2 0.090000 1.0080 0 5086 AA 2 PET H42 HAL2 0.090000 1.0080 0 5087 AA 3 PET CD1 CAP -0.115000 12.0110 0 5088 AA 3 PET HD1 HP 0.115000 1.0080 0 5089 AA 3 PET CE1 CAP -0.115000 12.0110 0 5090 AA 3 PET HE1 HP 0.115000 1.0080 0 5091 AA 3 PET CD2 CAP -0.115000 12.0110 0 5092 AA 3 PET HD2 HP 0.115000 1.0080 0 5093 AA 3 PET CE2 CAP -0.115000 12.0110 0 5094 AA 3 PET HE2 HP 0.115000 1.0080 0 5095 AA 3 PET CG CAP 0.100000 12.0110 0 5096 AA 3 PET C1 CL 0.630000 12.0110 0 5097 AA 3 PET O11 OBL -0.520000 15.9990 0 5098 AA 3 PET O12 OSL -0.340000 15.9990 0 5099 AA 3 PET C3 CTL2 -0.050000 12.0110 0 5100 AA 3 PET H31 HAL2 0.090000 1.0080 0 5101 AA 3 PET H32 HAL2 0.090000 1.0080 0 5102 AA 3 PET CZ CAP 0.100000 12.0110 0 5103 AA 3 PET C2 CL 0.630000 12.0110 0 5104 AA 3 PET O21 OBL -0.520000 15.9990 0 5105 AA 3 PET O22 OSL -0.340000 15.9990 0 5106 AA 3 PET C4 CTL2 -0.050000 12.0110 0 5107 AA 3 PET H41 HAL2 0.090000 1.0080 0 5108 AA 3 PET H42 HAL2 0.090000 1.0080 0 5109 AA 4 PET CD1 CAP -0.115000 12.0110 0 5110 AA 4 PET HD1 HP 0.115000 1.0080 0 5111 AA 4 PET CE1 CAP -0.115000 12.0110 0 5112 AA 4 PET HE1 HP 0.115000 1.0080 0 5113 AA 4 PET CD2 CAP -0.115000 12.0110 0 5114 AA 4 PET HD2 HP 0.115000 1.0080 0 5115 AA 4 PET CE2 CAP -0.115000 12.0110 0 5116 AA 4 PET HE2 HP 0.115000 1.0080 0 5117 AA 4 PET CG CAP 0.100000 12.0110 0 5118 AA 4 PET C1 CL 0.630000 12.0110 0 5119 AA 4 PET O11 OBL -0.520000 15.9990 0 5120 AA 4 PET O12 OSL -0.340000 15.9990 0 5121 AA 4 PET C3 CTL2 -0.050000 12.0110 0 5122 AA 4 PET H31 HAL2 0.090000 1.0080 0 5123 AA 4 PET H32 HAL2 0.090000 1.0080 0 5124 AA 4 PET CZ CAP 0.100000 12.0110 0 5125 AA 4 PET C2 CL 0.630000 12.0110 0 5126 AA 4 PET O21 OBL -0.520000 15.9990 0 5127 AA 4 PET O22 OSL -0.340000 15.9990 0 5128 AA 4 PET C4 CTL2 -0.050000 12.0110 0 5129 AA 4 PET H41 HAL2 0.090000 1.0080 0 5130 AA 4 PET H42 HAL2 0.090000 1.0080 0 5131 AA 5 PET CD1 CAP -0.115000 12.0110 0 5132 AA 5 PET HD1 HP 0.115000 1.0080 0 5133 AA 5 PET CE1 CAP -0.115000 12.0110 0 5134 AA 5 PET HE1 HP 0.115000 1.0080 0 5135 AA 5 PET CD2 CAP -0.115000 12.0110 0 5136 AA 5 PET HD2 HP 0.115000 1.0080 0 5137 AA 5 PET CE2 CAP -0.115000 12.0110 0 5138 AA 5 PET HE2 HP 0.115000 1.0080 0 5139 AA 5 PET CG CAP 0.100000 12.0110 0 5140 AA 5 PET C1 CL 0.630000 12.0110 0 5141 AA 5 PET O11 OBL -0.520000 15.9990 0 5142 AA 5 PET O12 OSL -0.340000 15.9990 0 5143 AA 5 PET C3 CTL2 -0.050000 12.0110 0 5144 AA 5 PET H31 HAL2 0.090000 1.0080 0 5145 AA 5 PET H32 HAL2 0.090000 1.0080 0 5146 AA 5 PET CZ CAP 0.100000 12.0110 0 5147 AA 5 PET C2 CL 0.630000 12.0110 0 5148 AA 5 PET O21 OBL -0.520000 15.9990 0 5149 AA 5 PET O22 OSL -0.340000 15.9990 0 5150 AA 5 PET C4 CTL2 -0.050000 12.0110 0 5151 AA 5 PET H41 HAL2 0.090000 1.0080 0 5152 AA 5 PET H42 HAL2 0.090000 1.0080 0 5153 AA 6 PET CD1 CAP -0.115000 12.0110 0 5154 AA 6 PET HD1 HP 0.115000 1.0080 0 5155 AA 6 PET CE1 CAP -0.115000 12.0110 0 5156 AA 6 PET HE1 HP 0.115000 1.0080 0 5157 AA 6 PET CD2 CAP -0.115000 12.0110 0 5158 AA 6 PET HD2 HP 0.115000 1.0080 0 5159 AA 6 PET CE2 CAP -0.115000 12.0110 0 5160 AA 6 PET HE2 HP 0.115000 1.0080 0 5161 AA 6 PET CG CAP 0.100000 12.0110 0 5162 AA 6 PET C1 CL 0.630000 12.0110 0 5163 AA 6 PET O11 OBL -0.520000 15.9990 0 5164 AA 6 PET O12 OSL -0.340000 15.9990 0 5165 AA 6 PET C3 CTL2 -0.050000 12.0110 0 5166 AA 6 PET H31 HAL2 0.090000 1.0080 0 5167 AA 6 PET H32 HAL2 0.090000 1.0080 0 5168 AA 6 PET CZ CAP 0.100000 12.0110 0 5169 AA 6 PET C2 CL 0.630000 12.0110 0 5170 AA 6 PET O21 OBL -0.520000 15.9990 0 5171 AA 6 PET O22 OSL -0.340000 15.9990 0 5172 AA 6 PET C4 CTL2 -0.050000 12.0110 0 5173 AA 6 PET H41 HAL2 0.090000 1.0080 0 5174 AA 6 PET H42 HAL2 0.090000 1.0080 0 5175 AA 7 PET CD1 CAP -0.115000 12.0110 0 5176 AA 7 PET HD1 HP 0.115000 1.0080 0 5177 AA 7 PET CE1 CAP -0.115000 12.0110 0 5178 AA 7 PET HE1 HP 0.115000 1.0080 0 5179 AA 7 PET CD2 CAP -0.115000 12.0110 0 5180 AA 7 PET HD2 HP 0.115000 1.0080 0 5181 AA 7 PET CE2 CAP -0.115000 12.0110 0 5182 AA 7 PET HE2 HP 0.115000 1.0080 0 5183 AA 7 PET CG CAP 0.100000 12.0110 0 5184 AA 7 PET C1 CL 0.630000 12.0110 0 5185 AA 7 PET O11 OBL -0.520000 15.9990 0 5186 AA 7 PET O12 OSL -0.340000 15.9990 0 5187 AA 7 PET C3 CTL2 -0.050000 12.0110 0 5188 AA 7 PET H31 HAL2 0.090000 1.0080 0 5189 AA 7 PET H32 HAL2 0.090000 1.0080 0 5190 AA 7 PET CZ CAP 0.100000 12.0110 0 5191 AA 7 PET C2 CL 0.630000 12.0110 0 5192 AA 7 PET O21 OBL -0.520000 15.9990 0 5193 AA 7 PET O22 OSL -0.340000 15.9990 0 5194 AA 7 PET C4 CTL2 -0.050000 12.0110 0 5195 AA 7 PET H41 HAL2 0.090000 1.0080 0 5196 AA 7 PET H42 HAL2 0.090000 1.0080 0 5197 AA 8 PET CD1 CAP -0.115000 12.0110 0 5198 AA 8 PET HD1 HP 0.115000 1.0080 0 5199 AA 8 PET CE1 CAP -0.115000 12.0110 0 5200 AA 8 PET HE1 HP 0.115000 1.0080 0 5201 AA 8 PET CD2 CAP -0.115000 12.0110 0 5202 AA 8 PET HD2 HP 0.115000 1.0080 0 5203 AA 8 PET CE2 CAP -0.115000 12.0110 0 5204 AA 8 PET HE2 HP 0.115000 1.0080 0 5205 AA 8 PET CG CAP 0.100000 12.0110 0 5206 AA 8 PET C1 CL 0.630000 12.0110 0 5207 AA 8 PET O11 OBL -0.520000 15.9990 0 5208 AA 8 PET O12 OSL -0.340000 15.9990 0 5209 AA 8 PET C3 CTL2 -0.050000 12.0110 0 5210 AA 8 PET H31 HAL2 0.090000 1.0080 0 5211 AA 8 PET H32 HAL2 0.090000 1.0080 0 5212 AA 8 PET CZ CAP 0.100000 12.0110 0 5213 AA 8 PET C2 CL 0.630000 12.0110 0 5214 AA 8 PET O21 OBL -0.520000 15.9990 0 5215 AA 8 PET O22 OSL -0.340000 15.9990 0 5216 AA 8 PET C4 CTL2 -0.050000 12.0110 0 5217 AA 8 PET H41 HAL2 0.090000 1.0080 0 5218 AA 8 PET H42 HAL2 0.090000 1.0080 0 5219 AA 9 PET C1 CD 0.750000 12.0110 0 5220 AA 9 PET O11 OB -0.550000 15.9990 0 5221 AA 9 PET O12 OH1 -0.610000 15.9990 0 5222 AA 9 PET CG CAP -0.030000 12.0110 0 5223 AA 9 PET H12 H 0.440000 1.0080 0 5224 AA 9 PET CD1 CAP -0.115000 12.0110 0 5225 AA 9 PET HD1 HP 0.115000 1.0080 0 5226 AA 9 PET CE1 CAP -0.115000 12.0110 0 5227 AA 9 PET HE1 HP 0.115000 1.0080 0 5228 AA 9 PET CD2 CAP -0.115000 12.0110 0 5229 AA 9 PET HD2 HP 0.115000 1.0080 0 5230 AA 9 PET CE2 CAP -0.115000 12.0110 0 5231 AA 9 PET HE2 HP 0.115000 1.0080 0 5232 AA 9 PET CZ CAP 0.100000 12.0110 0 5233 AA 9 PET C2 CL 0.630000 12.0110 0 5234 AA 9 PET O21 OBL -0.520000 15.9990 0 5235 AA 9 PET O22 OSL -0.340000 15.9990 0 5236 AA 9 PET C4 CTL2 -0.050000 12.0110 0 5237 AA 9 PET H41 HAL2 0.090000 1.0080 0 5238 AA 9 PET H42 HAL2 0.090000 1.0080 0 5239 AB 1 PET C2 CD 0.750000 12.0110 0 5240 AB 1 PET O21 OB -0.550000 15.9990 0 5241 AB 1 PET O22 OH1 -0.610000 15.9990 0 5242 AB 1 PET CZ CAP -0.030000 12.0110 0 5243 AB 1 PET H22 H 0.440000 1.0080 0 5244 AB 1 PET CD1 CAP -0.115000 12.0110 0 5245 AB 1 PET HD1 HP 0.115000 1.0080 0 5246 AB 1 PET CE1 CAP -0.115000 12.0110 0 5247 AB 1 PET HE1 HP 0.115000 1.0080 0 5248 AB 1 PET CD2 CAP -0.115000 12.0110 0 5249 AB 1 PET HD2 HP 0.115000 1.0080 0 5250 AB 1 PET CE2 CAP -0.115000 12.0110 0 5251 AB 1 PET HE2 HP 0.115000 1.0080 0 5252 AB 1 PET CG CAP 0.100000 12.0110 0 5253 AB 1 PET C1 CL 0.630000 12.0110 0 5254 AB 1 PET O11 OBL -0.520000 15.9990 0 5255 AB 1 PET O12 OSL -0.340000 15.9990 0 5256 AB 1 PET C3 CTL2 -0.050000 12.0110 0 5257 AB 1 PET H31 HAL2 0.090000 1.0080 0 5258 AB 1 PET H32 HAL2 0.090000 1.0080 0 5259 AB 2 PET CD1 CAP -0.115000 12.0110 0 5260 AB 2 PET HD1 HP 0.115000 1.0080 0 5261 AB 2 PET CE1 CAP -0.115000 12.0110 0 5262 AB 2 PET HE1 HP 0.115000 1.0080 0 5263 AB 2 PET CD2 CAP -0.115000 12.0110 0 5264 AB 2 PET HD2 HP 0.115000 1.0080 0 5265 AB 2 PET CE2 CAP -0.115000 12.0110 0 5266 AB 2 PET HE2 HP 0.115000 1.0080 0 5267 AB 2 PET CG CAP 0.100000 12.0110 0 5268 AB 2 PET C1 CL 0.630000 12.0110 0 5269 AB 2 PET O11 OBL -0.520000 15.9990 0 5270 AB 2 PET O12 OSL -0.340000 15.9990 0 5271 AB 2 PET C3 CTL2 -0.050000 12.0110 0 5272 AB 2 PET H31 HAL2 0.090000 1.0080 0 5273 AB 2 PET H32 HAL2 0.090000 1.0080 0 5274 AB 2 PET CZ CAP 0.100000 12.0110 0 5275 AB 2 PET C2 CL 0.630000 12.0110 0 5276 AB 2 PET O21 OBL -0.520000 15.9990 0 5277 AB 2 PET O22 OSL -0.340000 15.9990 0 5278 AB 2 PET C4 CTL2 -0.050000 12.0110 0 5279 AB 2 PET H41 HAL2 0.090000 1.0080 0 5280 AB 2 PET H42 HAL2 0.090000 1.0080 0 5281 AB 3 PET CD1 CAP -0.115000 12.0110 0 5282 AB 3 PET HD1 HP 0.115000 1.0080 0 5283 AB 3 PET CE1 CAP -0.115000 12.0110 0 5284 AB 3 PET HE1 HP 0.115000 1.0080 0 5285 AB 3 PET CD2 CAP -0.115000 12.0110 0 5286 AB 3 PET HD2 HP 0.115000 1.0080 0 5287 AB 3 PET CE2 CAP -0.115000 12.0110 0 5288 AB 3 PET HE2 HP 0.115000 1.0080 0 5289 AB 3 PET CG CAP 0.100000 12.0110 0 5290 AB 3 PET C1 CL 0.630000 12.0110 0 5291 AB 3 PET O11 OBL -0.520000 15.9990 0 5292 AB 3 PET O12 OSL -0.340000 15.9990 0 5293 AB 3 PET C3 CTL2 -0.050000 12.0110 0 5294 AB 3 PET H31 HAL2 0.090000 1.0080 0 5295 AB 3 PET H32 HAL2 0.090000 1.0080 0 5296 AB 3 PET CZ CAP 0.100000 12.0110 0 5297 AB 3 PET C2 CL 0.630000 12.0110 0 5298 AB 3 PET O21 OBL -0.520000 15.9990 0 5299 AB 3 PET O22 OSL -0.340000 15.9990 0 5300 AB 3 PET C4 CTL2 -0.050000 12.0110 0 5301 AB 3 PET H41 HAL2 0.090000 1.0080 0 5302 AB 3 PET H42 HAL2 0.090000 1.0080 0 5303 AB 4 PET CD1 CAP -0.115000 12.0110 0 5304 AB 4 PET HD1 HP 0.115000 1.0080 0 5305 AB 4 PET CE1 CAP -0.115000 12.0110 0 5306 AB 4 PET HE1 HP 0.115000 1.0080 0 5307 AB 4 PET CD2 CAP -0.115000 12.0110 0 5308 AB 4 PET HD2 HP 0.115000 1.0080 0 5309 AB 4 PET CE2 CAP -0.115000 12.0110 0 5310 AB 4 PET HE2 HP 0.115000 1.0080 0 5311 AB 4 PET CG CAP 0.100000 12.0110 0 5312 AB 4 PET C1 CL 0.630000 12.0110 0 5313 AB 4 PET O11 OBL -0.520000 15.9990 0 5314 AB 4 PET O12 OSL -0.340000 15.9990 0 5315 AB 4 PET C3 CTL2 -0.050000 12.0110 0 5316 AB 4 PET H31 HAL2 0.090000 1.0080 0 5317 AB 4 PET H32 HAL2 0.090000 1.0080 0 5318 AB 4 PET CZ CAP 0.100000 12.0110 0 5319 AB 4 PET C2 CL 0.630000 12.0110 0 5320 AB 4 PET O21 OBL -0.520000 15.9990 0 5321 AB 4 PET O22 OSL -0.340000 15.9990 0 5322 AB 4 PET C4 CTL2 -0.050000 12.0110 0 5323 AB 4 PET H41 HAL2 0.090000 1.0080 0 5324 AB 4 PET H42 HAL2 0.090000 1.0080 0 5325 AB 5 PET CD1 CAP -0.115000 12.0110 0 5326 AB 5 PET HD1 HP 0.115000 1.0080 0 5327 AB 5 PET CE1 CAP -0.115000 12.0110 0 5328 AB 5 PET HE1 HP 0.115000 1.0080 0 5329 AB 5 PET CD2 CAP -0.115000 12.0110 0 5330 AB 5 PET HD2 HP 0.115000 1.0080 0 5331 AB 5 PET CE2 CAP -0.115000 12.0110 0 5332 AB 5 PET HE2 HP 0.115000 1.0080 0 5333 AB 5 PET CG CAP 0.100000 12.0110 0 5334 AB 5 PET C1 CL 0.630000 12.0110 0 5335 AB 5 PET O11 OBL -0.520000 15.9990 0 5336 AB 5 PET O12 OSL -0.340000 15.9990 0 5337 AB 5 PET C3 CTL2 -0.050000 12.0110 0 5338 AB 5 PET H31 HAL2 0.090000 1.0080 0 5339 AB 5 PET H32 HAL2 0.090000 1.0080 0 5340 AB 5 PET CZ CAP 0.100000 12.0110 0 5341 AB 5 PET C2 CL 0.630000 12.0110 0 5342 AB 5 PET O21 OBL -0.520000 15.9990 0 5343 AB 5 PET O22 OSL -0.340000 15.9990 0 5344 AB 5 PET C4 CTL2 -0.050000 12.0110 0 5345 AB 5 PET H41 HAL2 0.090000 1.0080 0 5346 AB 5 PET H42 HAL2 0.090000 1.0080 0 5347 AB 6 PET CD1 CAP -0.115000 12.0110 0 5348 AB 6 PET HD1 HP 0.115000 1.0080 0 5349 AB 6 PET CE1 CAP -0.115000 12.0110 0 5350 AB 6 PET HE1 HP 0.115000 1.0080 0 5351 AB 6 PET CD2 CAP -0.115000 12.0110 0 5352 AB 6 PET HD2 HP 0.115000 1.0080 0 5353 AB 6 PET CE2 CAP -0.115000 12.0110 0 5354 AB 6 PET HE2 HP 0.115000 1.0080 0 5355 AB 6 PET CG CAP 0.100000 12.0110 0 5356 AB 6 PET C1 CL 0.630000 12.0110 0 5357 AB 6 PET O11 OBL -0.520000 15.9990 0 5358 AB 6 PET O12 OSL -0.340000 15.9990 0 5359 AB 6 PET C3 CTL2 -0.050000 12.0110 0 5360 AB 6 PET H31 HAL2 0.090000 1.0080 0 5361 AB 6 PET H32 HAL2 0.090000 1.0080 0 5362 AB 6 PET CZ CAP 0.100000 12.0110 0 5363 AB 6 PET C2 CL 0.630000 12.0110 0 5364 AB 6 PET O21 OBL -0.520000 15.9990 0 5365 AB 6 PET O22 OSL -0.340000 15.9990 0 5366 AB 6 PET C4 CTL2 -0.050000 12.0110 0 5367 AB 6 PET H41 HAL2 0.090000 1.0080 0 5368 AB 6 PET H42 HAL2 0.090000 1.0080 0 5369 AB 7 PET CD1 CAP -0.115000 12.0110 0 5370 AB 7 PET HD1 HP 0.115000 1.0080 0 5371 AB 7 PET CE1 CAP -0.115000 12.0110 0 5372 AB 7 PET HE1 HP 0.115000 1.0080 0 5373 AB 7 PET CD2 CAP -0.115000 12.0110 0 5374 AB 7 PET HD2 HP 0.115000 1.0080 0 5375 AB 7 PET CE2 CAP -0.115000 12.0110 0 5376 AB 7 PET HE2 HP 0.115000 1.0080 0 5377 AB 7 PET CG CAP 0.100000 12.0110 0 5378 AB 7 PET C1 CL 0.630000 12.0110 0 5379 AB 7 PET O11 OBL -0.520000 15.9990 0 5380 AB 7 PET O12 OSL -0.340000 15.9990 0 5381 AB 7 PET C3 CTL2 -0.050000 12.0110 0 5382 AB 7 PET H31 HAL2 0.090000 1.0080 0 5383 AB 7 PET H32 HAL2 0.090000 1.0080 0 5384 AB 7 PET CZ CAP 0.100000 12.0110 0 5385 AB 7 PET C2 CL 0.630000 12.0110 0 5386 AB 7 PET O21 OBL -0.520000 15.9990 0 5387 AB 7 PET O22 OSL -0.340000 15.9990 0 5388 AB 7 PET C4 CTL2 -0.050000 12.0110 0 5389 AB 7 PET H41 HAL2 0.090000 1.0080 0 5390 AB 7 PET H42 HAL2 0.090000 1.0080 0 5391 AB 8 PET CD1 CAP -0.115000 12.0110 0 5392 AB 8 PET HD1 HP 0.115000 1.0080 0 5393 AB 8 PET CE1 CAP -0.115000 12.0110 0 5394 AB 8 PET HE1 HP 0.115000 1.0080 0 5395 AB 8 PET CD2 CAP -0.115000 12.0110 0 5396 AB 8 PET HD2 HP 0.115000 1.0080 0 5397 AB 8 PET CE2 CAP -0.115000 12.0110 0 5398 AB 8 PET HE2 HP 0.115000 1.0080 0 5399 AB 8 PET CG CAP 0.100000 12.0110 0 5400 AB 8 PET C1 CL 0.630000 12.0110 0 5401 AB 8 PET O11 OBL -0.520000 15.9990 0 5402 AB 8 PET O12 OSL -0.340000 15.9990 0 5403 AB 8 PET C3 CTL2 -0.050000 12.0110 0 5404 AB 8 PET H31 HAL2 0.090000 1.0080 0 5405 AB 8 PET H32 HAL2 0.090000 1.0080 0 5406 AB 8 PET CZ CAP 0.100000 12.0110 0 5407 AB 8 PET C2 CL 0.630000 12.0110 0 5408 AB 8 PET O21 OBL -0.520000 15.9990 0 5409 AB 8 PET O22 OSL -0.340000 15.9990 0 5410 AB 8 PET C4 CTL2 -0.050000 12.0110 0 5411 AB 8 PET H41 HAL2 0.090000 1.0080 0 5412 AB 8 PET H42 HAL2 0.090000 1.0080 0 5413 AB 9 PET C1 CD 0.750000 12.0110 0 5414 AB 9 PET O11 OB -0.550000 15.9990 0 5415 AB 9 PET O12 OH1 -0.610000 15.9990 0 5416 AB 9 PET CG CAP -0.030000 12.0110 0 5417 AB 9 PET H12 H 0.440000 1.0080 0 5418 AB 9 PET CD1 CAP -0.115000 12.0110 0 5419 AB 9 PET HD1 HP 0.115000 1.0080 0 5420 AB 9 PET CE1 CAP -0.115000 12.0110 0 5421 AB 9 PET HE1 HP 0.115000 1.0080 0 5422 AB 9 PET CD2 CAP -0.115000 12.0110 0 5423 AB 9 PET HD2 HP 0.115000 1.0080 0 5424 AB 9 PET CE2 CAP -0.115000 12.0110 0 5425 AB 9 PET HE2 HP 0.115000 1.0080 0 5426 AB 9 PET CZ CAP 0.100000 12.0110 0 5427 AB 9 PET C2 CL 0.630000 12.0110 0 5428 AB 9 PET O21 OBL -0.520000 15.9990 0 5429 AB 9 PET O22 OSL -0.340000 15.9990 0 5430 AB 9 PET C4 CTL2 -0.050000 12.0110 0 5431 AB 9 PET H41 HAL2 0.090000 1.0080 0 5432 AB 9 PET H42 HAL2 0.090000 1.0080 0 5433 AC 1 PET C2 CD 0.750000 12.0110 0 5434 AC 1 PET O21 OB -0.550000 15.9990 0 5435 AC 1 PET O22 OH1 -0.610000 15.9990 0 5436 AC 1 PET CZ CAP -0.030000 12.0110 0 5437 AC 1 PET H22 H 0.440000 1.0080 0 5438 AC 1 PET CD1 CAP -0.115000 12.0110 0 5439 AC 1 PET HD1 HP 0.115000 1.0080 0 5440 AC 1 PET CE1 CAP -0.115000 12.0110 0 5441 AC 1 PET HE1 HP 0.115000 1.0080 0 5442 AC 1 PET CD2 CAP -0.115000 12.0110 0 5443 AC 1 PET HD2 HP 0.115000 1.0080 0 5444 AC 1 PET CE2 CAP -0.115000 12.0110 0 5445 AC 1 PET HE2 HP 0.115000 1.0080 0 5446 AC 1 PET CG CAP 0.100000 12.0110 0 5447 AC 1 PET C1 CL 0.630000 12.0110 0 5448 AC 1 PET O11 OBL -0.520000 15.9990 0 5449 AC 1 PET O12 OSL -0.340000 15.9990 0 5450 AC 1 PET C3 CTL2 -0.050000 12.0110 0 5451 AC 1 PET H31 HAL2 0.090000 1.0080 0 5452 AC 1 PET H32 HAL2 0.090000 1.0080 0 5453 AC 2 PET CD1 CAP -0.115000 12.0110 0 5454 AC 2 PET HD1 HP 0.115000 1.0080 0 5455 AC 2 PET CE1 CAP -0.115000 12.0110 0 5456 AC 2 PET HE1 HP 0.115000 1.0080 0 5457 AC 2 PET CD2 CAP -0.115000 12.0110 0 5458 AC 2 PET HD2 HP 0.115000 1.0080 0 5459 AC 2 PET CE2 CAP -0.115000 12.0110 0 5460 AC 2 PET HE2 HP 0.115000 1.0080 0 5461 AC 2 PET CG CAP 0.100000 12.0110 0 5462 AC 2 PET C1 CL 0.630000 12.0110 0 5463 AC 2 PET O11 OBL -0.520000 15.9990 0 5464 AC 2 PET O12 OSL -0.340000 15.9990 0 5465 AC 2 PET C3 CTL2 -0.050000 12.0110 0 5466 AC 2 PET H31 HAL2 0.090000 1.0080 0 5467 AC 2 PET H32 HAL2 0.090000 1.0080 0 5468 AC 2 PET CZ CAP 0.100000 12.0110 0 5469 AC 2 PET C2 CL 0.630000 12.0110 0 5470 AC 2 PET O21 OBL -0.520000 15.9990 0 5471 AC 2 PET O22 OSL -0.340000 15.9990 0 5472 AC 2 PET C4 CTL2 -0.050000 12.0110 0 5473 AC 2 PET H41 HAL2 0.090000 1.0080 0 5474 AC 2 PET H42 HAL2 0.090000 1.0080 0 5475 AC 3 PET CD1 CAP -0.115000 12.0110 0 5476 AC 3 PET HD1 HP 0.115000 1.0080 0 5477 AC 3 PET CE1 CAP -0.115000 12.0110 0 5478 AC 3 PET HE1 HP 0.115000 1.0080 0 5479 AC 3 PET CD2 CAP -0.115000 12.0110 0 5480 AC 3 PET HD2 HP 0.115000 1.0080 0 5481 AC 3 PET CE2 CAP -0.115000 12.0110 0 5482 AC 3 PET HE2 HP 0.115000 1.0080 0 5483 AC 3 PET CG CAP 0.100000 12.0110 0 5484 AC 3 PET C1 CL 0.630000 12.0110 0 5485 AC 3 PET O11 OBL -0.520000 15.9990 0 5486 AC 3 PET O12 OSL -0.340000 15.9990 0 5487 AC 3 PET C3 CTL2 -0.050000 12.0110 0 5488 AC 3 PET H31 HAL2 0.090000 1.0080 0 5489 AC 3 PET H32 HAL2 0.090000 1.0080 0 5490 AC 3 PET CZ CAP 0.100000 12.0110 0 5491 AC 3 PET C2 CL 0.630000 12.0110 0 5492 AC 3 PET O21 OBL -0.520000 15.9990 0 5493 AC 3 PET O22 OSL -0.340000 15.9990 0 5494 AC 3 PET C4 CTL2 -0.050000 12.0110 0 5495 AC 3 PET H41 HAL2 0.090000 1.0080 0 5496 AC 3 PET H42 HAL2 0.090000 1.0080 0 5497 AC 4 PET CD1 CAP -0.115000 12.0110 0 5498 AC 4 PET HD1 HP 0.115000 1.0080 0 5499 AC 4 PET CE1 CAP -0.115000 12.0110 0 5500 AC 4 PET HE1 HP 0.115000 1.0080 0 5501 AC 4 PET CD2 CAP -0.115000 12.0110 0 5502 AC 4 PET HD2 HP 0.115000 1.0080 0 5503 AC 4 PET CE2 CAP -0.115000 12.0110 0 5504 AC 4 PET HE2 HP 0.115000 1.0080 0 5505 AC 4 PET CG CAP 0.100000 12.0110 0 5506 AC 4 PET C1 CL 0.630000 12.0110 0 5507 AC 4 PET O11 OBL -0.520000 15.9990 0 5508 AC 4 PET O12 OSL -0.340000 15.9990 0 5509 AC 4 PET C3 CTL2 -0.050000 12.0110 0 5510 AC 4 PET H31 HAL2 0.090000 1.0080 0 5511 AC 4 PET H32 HAL2 0.090000 1.0080 0 5512 AC 4 PET CZ CAP 0.100000 12.0110 0 5513 AC 4 PET C2 CL 0.630000 12.0110 0 5514 AC 4 PET O21 OBL -0.520000 15.9990 0 5515 AC 4 PET O22 OSL -0.340000 15.9990 0 5516 AC 4 PET C4 CTL2 -0.050000 12.0110 0 5517 AC 4 PET H41 HAL2 0.090000 1.0080 0 5518 AC 4 PET H42 HAL2 0.090000 1.0080 0 5519 AC 5 PET CD1 CAP -0.115000 12.0110 0 5520 AC 5 PET HD1 HP 0.115000 1.0080 0 5521 AC 5 PET CE1 CAP -0.115000 12.0110 0 5522 AC 5 PET HE1 HP 0.115000 1.0080 0 5523 AC 5 PET CD2 CAP -0.115000 12.0110 0 5524 AC 5 PET HD2 HP 0.115000 1.0080 0 5525 AC 5 PET CE2 CAP -0.115000 12.0110 0 5526 AC 5 PET HE2 HP 0.115000 1.0080 0 5527 AC 5 PET CG CAP 0.100000 12.0110 0 5528 AC 5 PET C1 CL 0.630000 12.0110 0 5529 AC 5 PET O11 OBL -0.520000 15.9990 0 5530 AC 5 PET O12 OSL -0.340000 15.9990 0 5531 AC 5 PET C3 CTL2 -0.050000 12.0110 0 5532 AC 5 PET H31 HAL2 0.090000 1.0080 0 5533 AC 5 PET H32 HAL2 0.090000 1.0080 0 5534 AC 5 PET CZ CAP 0.100000 12.0110 0 5535 AC 5 PET C2 CL 0.630000 12.0110 0 5536 AC 5 PET O21 OBL -0.520000 15.9990 0 5537 AC 5 PET O22 OSL -0.340000 15.9990 0 5538 AC 5 PET C4 CTL2 -0.050000 12.0110 0 5539 AC 5 PET H41 HAL2 0.090000 1.0080 0 5540 AC 5 PET H42 HAL2 0.090000 1.0080 0 5541 AC 6 PET CD1 CAP -0.115000 12.0110 0 5542 AC 6 PET HD1 HP 0.115000 1.0080 0 5543 AC 6 PET CE1 CAP -0.115000 12.0110 0 5544 AC 6 PET HE1 HP 0.115000 1.0080 0 5545 AC 6 PET CD2 CAP -0.115000 12.0110 0 5546 AC 6 PET HD2 HP 0.115000 1.0080 0 5547 AC 6 PET CE2 CAP -0.115000 12.0110 0 5548 AC 6 PET HE2 HP 0.115000 1.0080 0 5549 AC 6 PET CG CAP 0.100000 12.0110 0 5550 AC 6 PET C1 CL 0.630000 12.0110 0 5551 AC 6 PET O11 OBL -0.520000 15.9990 0 5552 AC 6 PET O12 OSL -0.340000 15.9990 0 5553 AC 6 PET C3 CTL2 -0.050000 12.0110 0 5554 AC 6 PET H31 HAL2 0.090000 1.0080 0 5555 AC 6 PET H32 HAL2 0.090000 1.0080 0 5556 AC 6 PET CZ CAP 0.100000 12.0110 0 5557 AC 6 PET C2 CL 0.630000 12.0110 0 5558 AC 6 PET O21 OBL -0.520000 15.9990 0 5559 AC 6 PET O22 OSL -0.340000 15.9990 0 5560 AC 6 PET C4 CTL2 -0.050000 12.0110 0 5561 AC 6 PET H41 HAL2 0.090000 1.0080 0 5562 AC 6 PET H42 HAL2 0.090000 1.0080 0 5563 AC 7 PET CD1 CAP -0.115000 12.0110 0 5564 AC 7 PET HD1 HP 0.115000 1.0080 0 5565 AC 7 PET CE1 CAP -0.115000 12.0110 0 5566 AC 7 PET HE1 HP 0.115000 1.0080 0 5567 AC 7 PET CD2 CAP -0.115000 12.0110 0 5568 AC 7 PET HD2 HP 0.115000 1.0080 0 5569 AC 7 PET CE2 CAP -0.115000 12.0110 0 5570 AC 7 PET HE2 HP 0.115000 1.0080 0 5571 AC 7 PET CG CAP 0.100000 12.0110 0 5572 AC 7 PET C1 CL 0.630000 12.0110 0 5573 AC 7 PET O11 OBL -0.520000 15.9990 0 5574 AC 7 PET O12 OSL -0.340000 15.9990 0 5575 AC 7 PET C3 CTL2 -0.050000 12.0110 0 5576 AC 7 PET H31 HAL2 0.090000 1.0080 0 5577 AC 7 PET H32 HAL2 0.090000 1.0080 0 5578 AC 7 PET CZ CAP 0.100000 12.0110 0 5579 AC 7 PET C2 CL 0.630000 12.0110 0 5580 AC 7 PET O21 OBL -0.520000 15.9990 0 5581 AC 7 PET O22 OSL -0.340000 15.9990 0 5582 AC 7 PET C4 CTL2 -0.050000 12.0110 0 5583 AC 7 PET H41 HAL2 0.090000 1.0080 0 5584 AC 7 PET H42 HAL2 0.090000 1.0080 0 5585 AC 8 PET CD1 CAP -0.115000 12.0110 0 5586 AC 8 PET HD1 HP 0.115000 1.0080 0 5587 AC 8 PET CE1 CAP -0.115000 12.0110 0 5588 AC 8 PET HE1 HP 0.115000 1.0080 0 5589 AC 8 PET CD2 CAP -0.115000 12.0110 0 5590 AC 8 PET HD2 HP 0.115000 1.0080 0 5591 AC 8 PET CE2 CAP -0.115000 12.0110 0 5592 AC 8 PET HE2 HP 0.115000 1.0080 0 5593 AC 8 PET CG CAP 0.100000 12.0110 0 5594 AC 8 PET C1 CL 0.630000 12.0110 0 5595 AC 8 PET O11 OBL -0.520000 15.9990 0 5596 AC 8 PET O12 OSL -0.340000 15.9990 0 5597 AC 8 PET C3 CTL2 -0.050000 12.0110 0 5598 AC 8 PET H31 HAL2 0.090000 1.0080 0 5599 AC 8 PET H32 HAL2 0.090000 1.0080 0 5600 AC 8 PET CZ CAP 0.100000 12.0110 0 5601 AC 8 PET C2 CL 0.630000 12.0110 0 5602 AC 8 PET O21 OBL -0.520000 15.9990 0 5603 AC 8 PET O22 OSL -0.340000 15.9990 0 5604 AC 8 PET C4 CTL2 -0.050000 12.0110 0 5605 AC 8 PET H41 HAL2 0.090000 1.0080 0 5606 AC 8 PET H42 HAL2 0.090000 1.0080 0 5607 AC 9 PET C1 CD 0.750000 12.0110 0 5608 AC 9 PET O11 OB -0.550000 15.9990 0 5609 AC 9 PET O12 OH1 -0.610000 15.9990 0 5610 AC 9 PET CG CAP -0.030000 12.0110 0 5611 AC 9 PET H12 H 0.440000 1.0080 0 5612 AC 9 PET CD1 CAP -0.115000 12.0110 0 5613 AC 9 PET HD1 HP 0.115000 1.0080 0 5614 AC 9 PET CE1 CAP -0.115000 12.0110 0 5615 AC 9 PET HE1 HP 0.115000 1.0080 0 5616 AC 9 PET CD2 CAP -0.115000 12.0110 0 5617 AC 9 PET HD2 HP 0.115000 1.0080 0 5618 AC 9 PET CE2 CAP -0.115000 12.0110 0 5619 AC 9 PET HE2 HP 0.115000 1.0080 0 5620 AC 9 PET CZ CAP 0.100000 12.0110 0 5621 AC 9 PET C2 CL 0.630000 12.0110 0 5622 AC 9 PET O21 OBL -0.520000 15.9990 0 5623 AC 9 PET O22 OSL -0.340000 15.9990 0 5624 AC 9 PET C4 CTL2 -0.050000 12.0110 0 5625 AC 9 PET H41 HAL2 0.090000 1.0080 0 5626 AC 9 PET H42 HAL2 0.090000 1.0080 0 5627 AD 1 PET C2 CD 0.750000 12.0110 0 5628 AD 1 PET O21 OB -0.550000 15.9990 0 5629 AD 1 PET O22 OH1 -0.610000 15.9990 0 5630 AD 1 PET CZ CAP -0.030000 12.0110 0 5631 AD 1 PET H22 H 0.440000 1.0080 0 5632 AD 1 PET CD1 CAP -0.115000 12.0110 0 5633 AD 1 PET HD1 HP 0.115000 1.0080 0 5634 AD 1 PET CE1 CAP -0.115000 12.0110 0 5635 AD 1 PET HE1 HP 0.115000 1.0080 0 5636 AD 1 PET CD2 CAP -0.115000 12.0110 0 5637 AD 1 PET HD2 HP 0.115000 1.0080 0 5638 AD 1 PET CE2 CAP -0.115000 12.0110 0 5639 AD 1 PET HE2 HP 0.115000 1.0080 0 5640 AD 1 PET CG CAP 0.100000 12.0110 0 5641 AD 1 PET C1 CL 0.630000 12.0110 0 5642 AD 1 PET O11 OBL -0.520000 15.9990 0 5643 AD 1 PET O12 OSL -0.340000 15.9990 0 5644 AD 1 PET C3 CTL2 -0.050000 12.0110 0 5645 AD 1 PET H31 HAL2 0.090000 1.0080 0 5646 AD 1 PET H32 HAL2 0.090000 1.0080 0 5647 AD 2 PET CD1 CAP -0.115000 12.0110 0 5648 AD 2 PET HD1 HP 0.115000 1.0080 0 5649 AD 2 PET CE1 CAP -0.115000 12.0110 0 5650 AD 2 PET HE1 HP 0.115000 1.0080 0 5651 AD 2 PET CD2 CAP -0.115000 12.0110 0 5652 AD 2 PET HD2 HP 0.115000 1.0080 0 5653 AD 2 PET CE2 CAP -0.115000 12.0110 0 5654 AD 2 PET HE2 HP 0.115000 1.0080 0 5655 AD 2 PET CG CAP 0.100000 12.0110 0 5656 AD 2 PET C1 CL 0.630000 12.0110 0 5657 AD 2 PET O11 OBL -0.520000 15.9990 0 5658 AD 2 PET O12 OSL -0.340000 15.9990 0 5659 AD 2 PET C3 CTL2 -0.050000 12.0110 0 5660 AD 2 PET H31 HAL2 0.090000 1.0080 0 5661 AD 2 PET H32 HAL2 0.090000 1.0080 0 5662 AD 2 PET CZ CAP 0.100000 12.0110 0 5663 AD 2 PET C2 CL 0.630000 12.0110 0 5664 AD 2 PET O21 OBL -0.520000 15.9990 0 5665 AD 2 PET O22 OSL -0.340000 15.9990 0 5666 AD 2 PET C4 CTL2 -0.050000 12.0110 0 5667 AD 2 PET H41 HAL2 0.090000 1.0080 0 5668 AD 2 PET H42 HAL2 0.090000 1.0080 0 5669 AD 3 PET CD1 CAP -0.115000 12.0110 0 5670 AD 3 PET HD1 HP 0.115000 1.0080 0 5671 AD 3 PET CE1 CAP -0.115000 12.0110 0 5672 AD 3 PET HE1 HP 0.115000 1.0080 0 5673 AD 3 PET CD2 CAP -0.115000 12.0110 0 5674 AD 3 PET HD2 HP 0.115000 1.0080 0 5675 AD 3 PET CE2 CAP -0.115000 12.0110 0 5676 AD 3 PET HE2 HP 0.115000 1.0080 0 5677 AD 3 PET CG CAP 0.100000 12.0110 0 5678 AD 3 PET C1 CL 0.630000 12.0110 0 5679 AD 3 PET O11 OBL -0.520000 15.9990 0 5680 AD 3 PET O12 OSL -0.340000 15.9990 0 5681 AD 3 PET C3 CTL2 -0.050000 12.0110 0 5682 AD 3 PET H31 HAL2 0.090000 1.0080 0 5683 AD 3 PET H32 HAL2 0.090000 1.0080 0 5684 AD 3 PET CZ CAP 0.100000 12.0110 0 5685 AD 3 PET C2 CL 0.630000 12.0110 0 5686 AD 3 PET O21 OBL -0.520000 15.9990 0 5687 AD 3 PET O22 OSL -0.340000 15.9990 0 5688 AD 3 PET C4 CTL2 -0.050000 12.0110 0 5689 AD 3 PET H41 HAL2 0.090000 1.0080 0 5690 AD 3 PET H42 HAL2 0.090000 1.0080 0 5691 AD 4 PET CD1 CAP -0.115000 12.0110 0 5692 AD 4 PET HD1 HP 0.115000 1.0080 0 5693 AD 4 PET CE1 CAP -0.115000 12.0110 0 5694 AD 4 PET HE1 HP 0.115000 1.0080 0 5695 AD 4 PET CD2 CAP -0.115000 12.0110 0 5696 AD 4 PET HD2 HP 0.115000 1.0080 0 5697 AD 4 PET CE2 CAP -0.115000 12.0110 0 5698 AD 4 PET HE2 HP 0.115000 1.0080 0 5699 AD 4 PET CG CAP 0.100000 12.0110 0 5700 AD 4 PET C1 CL 0.630000 12.0110 0 5701 AD 4 PET O11 OBL -0.520000 15.9990 0 5702 AD 4 PET O12 OSL -0.340000 15.9990 0 5703 AD 4 PET C3 CTL2 -0.050000 12.0110 0 5704 AD 4 PET H31 HAL2 0.090000 1.0080 0 5705 AD 4 PET H32 HAL2 0.090000 1.0080 0 5706 AD 4 PET CZ CAP 0.100000 12.0110 0 5707 AD 4 PET C2 CL 0.630000 12.0110 0 5708 AD 4 PET O21 OBL -0.520000 15.9990 0 5709 AD 4 PET O22 OSL -0.340000 15.9990 0 5710 AD 4 PET C4 CTL2 -0.050000 12.0110 0 5711 AD 4 PET H41 HAL2 0.090000 1.0080 0 5712 AD 4 PET H42 HAL2 0.090000 1.0080 0 5713 AD 5 PET CD1 CAP -0.115000 12.0110 0 5714 AD 5 PET HD1 HP 0.115000 1.0080 0 5715 AD 5 PET CE1 CAP -0.115000 12.0110 0 5716 AD 5 PET HE1 HP 0.115000 1.0080 0 5717 AD 5 PET CD2 CAP -0.115000 12.0110 0 5718 AD 5 PET HD2 HP 0.115000 1.0080 0 5719 AD 5 PET CE2 CAP -0.115000 12.0110 0 5720 AD 5 PET HE2 HP 0.115000 1.0080 0 5721 AD 5 PET CG CAP 0.100000 12.0110 0 5722 AD 5 PET C1 CL 0.630000 12.0110 0 5723 AD 5 PET O11 OBL -0.520000 15.9990 0 5724 AD 5 PET O12 OSL -0.340000 15.9990 0 5725 AD 5 PET C3 CTL2 -0.050000 12.0110 0 5726 AD 5 PET H31 HAL2 0.090000 1.0080 0 5727 AD 5 PET H32 HAL2 0.090000 1.0080 0 5728 AD 5 PET CZ CAP 0.100000 12.0110 0 5729 AD 5 PET C2 CL 0.630000 12.0110 0 5730 AD 5 PET O21 OBL -0.520000 15.9990 0 5731 AD 5 PET O22 OSL -0.340000 15.9990 0 5732 AD 5 PET C4 CTL2 -0.050000 12.0110 0 5733 AD 5 PET H41 HAL2 0.090000 1.0080 0 5734 AD 5 PET H42 HAL2 0.090000 1.0080 0 5735 AD 6 PET CD1 CAP -0.115000 12.0110 0 5736 AD 6 PET HD1 HP 0.115000 1.0080 0 5737 AD 6 PET CE1 CAP -0.115000 12.0110 0 5738 AD 6 PET HE1 HP 0.115000 1.0080 0 5739 AD 6 PET CD2 CAP -0.115000 12.0110 0 5740 AD 6 PET HD2 HP 0.115000 1.0080 0 5741 AD 6 PET CE2 CAP -0.115000 12.0110 0 5742 AD 6 PET HE2 HP 0.115000 1.0080 0 5743 AD 6 PET CG CAP 0.100000 12.0110 0 5744 AD 6 PET C1 CL 0.630000 12.0110 0 5745 AD 6 PET O11 OBL -0.520000 15.9990 0 5746 AD 6 PET O12 OSL -0.340000 15.9990 0 5747 AD 6 PET C3 CTL2 -0.050000 12.0110 0 5748 AD 6 PET H31 HAL2 0.090000 1.0080 0 5749 AD 6 PET H32 HAL2 0.090000 1.0080 0 5750 AD 6 PET CZ CAP 0.100000 12.0110 0 5751 AD 6 PET C2 CL 0.630000 12.0110 0 5752 AD 6 PET O21 OBL -0.520000 15.9990 0 5753 AD 6 PET O22 OSL -0.340000 15.9990 0 5754 AD 6 PET C4 CTL2 -0.050000 12.0110 0 5755 AD 6 PET H41 HAL2 0.090000 1.0080 0 5756 AD 6 PET H42 HAL2 0.090000 1.0080 0 5757 AD 7 PET CD1 CAP -0.115000 12.0110 0 5758 AD 7 PET HD1 HP 0.115000 1.0080 0 5759 AD 7 PET CE1 CAP -0.115000 12.0110 0 5760 AD 7 PET HE1 HP 0.115000 1.0080 0 5761 AD 7 PET CD2 CAP -0.115000 12.0110 0 5762 AD 7 PET HD2 HP 0.115000 1.0080 0 5763 AD 7 PET CE2 CAP -0.115000 12.0110 0 5764 AD 7 PET HE2 HP 0.115000 1.0080 0 5765 AD 7 PET CG CAP 0.100000 12.0110 0 5766 AD 7 PET C1 CL 0.630000 12.0110 0 5767 AD 7 PET O11 OBL -0.520000 15.9990 0 5768 AD 7 PET O12 OSL -0.340000 15.9990 0 5769 AD 7 PET C3 CTL2 -0.050000 12.0110 0 5770 AD 7 PET H31 HAL2 0.090000 1.0080 0 5771 AD 7 PET H32 HAL2 0.090000 1.0080 0 5772 AD 7 PET CZ CAP 0.100000 12.0110 0 5773 AD 7 PET C2 CL 0.630000 12.0110 0 5774 AD 7 PET O21 OBL -0.520000 15.9990 0 5775 AD 7 PET O22 OSL -0.340000 15.9990 0 5776 AD 7 PET C4 CTL2 -0.050000 12.0110 0 5777 AD 7 PET H41 HAL2 0.090000 1.0080 0 5778 AD 7 PET H42 HAL2 0.090000 1.0080 0 5779 AD 8 PET CD1 CAP -0.115000 12.0110 0 5780 AD 8 PET HD1 HP 0.115000 1.0080 0 5781 AD 8 PET CE1 CAP -0.115000 12.0110 0 5782 AD 8 PET HE1 HP 0.115000 1.0080 0 5783 AD 8 PET CD2 CAP -0.115000 12.0110 0 5784 AD 8 PET HD2 HP 0.115000 1.0080 0 5785 AD 8 PET CE2 CAP -0.115000 12.0110 0 5786 AD 8 PET HE2 HP 0.115000 1.0080 0 5787 AD 8 PET CG CAP 0.100000 12.0110 0 5788 AD 8 PET C1 CL 0.630000 12.0110 0 5789 AD 8 PET O11 OBL -0.520000 15.9990 0 5790 AD 8 PET O12 OSL -0.340000 15.9990 0 5791 AD 8 PET C3 CTL2 -0.050000 12.0110 0 5792 AD 8 PET H31 HAL2 0.090000 1.0080 0 5793 AD 8 PET H32 HAL2 0.090000 1.0080 0 5794 AD 8 PET CZ CAP 0.100000 12.0110 0 5795 AD 8 PET C2 CL 0.630000 12.0110 0 5796 AD 8 PET O21 OBL -0.520000 15.9990 0 5797 AD 8 PET O22 OSL -0.340000 15.9990 0 5798 AD 8 PET C4 CTL2 -0.050000 12.0110 0 5799 AD 8 PET H41 HAL2 0.090000 1.0080 0 5800 AD 8 PET H42 HAL2 0.090000 1.0080 0 5801 AD 9 PET C1 CD 0.750000 12.0110 0 5802 AD 9 PET O11 OB -0.550000 15.9990 0 5803 AD 9 PET O12 OH1 -0.610000 15.9990 0 5804 AD 9 PET CG CAP -0.030000 12.0110 0 5805 AD 9 PET H12 H 0.440000 1.0080 0 5806 AD 9 PET CD1 CAP -0.115000 12.0110 0 5807 AD 9 PET HD1 HP 0.115000 1.0080 0 5808 AD 9 PET CE1 CAP -0.115000 12.0110 0 5809 AD 9 PET HE1 HP 0.115000 1.0080 0 5810 AD 9 PET CD2 CAP -0.115000 12.0110 0 5811 AD 9 PET HD2 HP 0.115000 1.0080 0 5812 AD 9 PET CE2 CAP -0.115000 12.0110 0 5813 AD 9 PET HE2 HP 0.115000 1.0080 0 5814 AD 9 PET CZ CAP 0.100000 12.0110 0 5815 AD 9 PET C2 CL 0.630000 12.0110 0 5816 AD 9 PET O21 OBL -0.520000 15.9990 0 5817 AD 9 PET O22 OSL -0.340000 15.9990 0 5818 AD 9 PET C4 CTL2 -0.050000 12.0110 0 5819 AD 9 PET H41 HAL2 0.090000 1.0080 0 5820 AD 9 PET H42 HAL2 0.090000 1.0080 0 5821 AE 1 PET C2 CD 0.750000 12.0110 0 5822 AE 1 PET O21 OB -0.550000 15.9990 0 5823 AE 1 PET O22 OH1 -0.610000 15.9990 0 5824 AE 1 PET CZ CAP -0.030000 12.0110 0 5825 AE 1 PET H22 H 0.440000 1.0080 0 5826 AE 1 PET CD1 CAP -0.115000 12.0110 0 5827 AE 1 PET HD1 HP 0.115000 1.0080 0 5828 AE 1 PET CE1 CAP -0.115000 12.0110 0 5829 AE 1 PET HE1 HP 0.115000 1.0080 0 5830 AE 1 PET CD2 CAP -0.115000 12.0110 0 5831 AE 1 PET HD2 HP 0.115000 1.0080 0 5832 AE 1 PET CE2 CAP -0.115000 12.0110 0 5833 AE 1 PET HE2 HP 0.115000 1.0080 0 5834 AE 1 PET CG CAP 0.100000 12.0110 0 5835 AE 1 PET C1 CL 0.630000 12.0110 0 5836 AE 1 PET O11 OBL -0.520000 15.9990 0 5837 AE 1 PET O12 OSL -0.340000 15.9990 0 5838 AE 1 PET C3 CTL2 -0.050000 12.0110 0 5839 AE 1 PET H31 HAL2 0.090000 1.0080 0 5840 AE 1 PET H32 HAL2 0.090000 1.0080 0 5841 AE 2 PET CD1 CAP -0.115000 12.0110 0 5842 AE 2 PET HD1 HP 0.115000 1.0080 0 5843 AE 2 PET CE1 CAP -0.115000 12.0110 0 5844 AE 2 PET HE1 HP 0.115000 1.0080 0 5845 AE 2 PET CD2 CAP -0.115000 12.0110 0 5846 AE 2 PET HD2 HP 0.115000 1.0080 0 5847 AE 2 PET CE2 CAP -0.115000 12.0110 0 5848 AE 2 PET HE2 HP 0.115000 1.0080 0 5849 AE 2 PET CG CAP 0.100000 12.0110 0 5850 AE 2 PET C1 CL 0.630000 12.0110 0 5851 AE 2 PET O11 OBL -0.520000 15.9990 0 5852 AE 2 PET O12 OSL -0.340000 15.9990 0 5853 AE 2 PET C3 CTL2 -0.050000 12.0110 0 5854 AE 2 PET H31 HAL2 0.090000 1.0080 0 5855 AE 2 PET H32 HAL2 0.090000 1.0080 0 5856 AE 2 PET CZ CAP 0.100000 12.0110 0 5857 AE 2 PET C2 CL 0.630000 12.0110 0 5858 AE 2 PET O21 OBL -0.520000 15.9990 0 5859 AE 2 PET O22 OSL -0.340000 15.9990 0 5860 AE 2 PET C4 CTL2 -0.050000 12.0110 0 5861 AE 2 PET H41 HAL2 0.090000 1.0080 0 5862 AE 2 PET H42 HAL2 0.090000 1.0080 0 5863 AE 3 PET CD1 CAP -0.115000 12.0110 0 5864 AE 3 PET HD1 HP 0.115000 1.0080 0 5865 AE 3 PET CE1 CAP -0.115000 12.0110 0 5866 AE 3 PET HE1 HP 0.115000 1.0080 0 5867 AE 3 PET CD2 CAP -0.115000 12.0110 0 5868 AE 3 PET HD2 HP 0.115000 1.0080 0 5869 AE 3 PET CE2 CAP -0.115000 12.0110 0 5870 AE 3 PET HE2 HP 0.115000 1.0080 0 5871 AE 3 PET CG CAP 0.100000 12.0110 0 5872 AE 3 PET C1 CL 0.630000 12.0110 0 5873 AE 3 PET O11 OBL -0.520000 15.9990 0 5874 AE 3 PET O12 OSL -0.340000 15.9990 0 5875 AE 3 PET C3 CTL2 -0.050000 12.0110 0 5876 AE 3 PET H31 HAL2 0.090000 1.0080 0 5877 AE 3 PET H32 HAL2 0.090000 1.0080 0 5878 AE 3 PET CZ CAP 0.100000 12.0110 0 5879 AE 3 PET C2 CL 0.630000 12.0110 0 5880 AE 3 PET O21 OBL -0.520000 15.9990 0 5881 AE 3 PET O22 OSL -0.340000 15.9990 0 5882 AE 3 PET C4 CTL2 -0.050000 12.0110 0 5883 AE 3 PET H41 HAL2 0.090000 1.0080 0 5884 AE 3 PET H42 HAL2 0.090000 1.0080 0 5885 AE 4 PET CD1 CAP -0.115000 12.0110 0 5886 AE 4 PET HD1 HP 0.115000 1.0080 0 5887 AE 4 PET CE1 CAP -0.115000 12.0110 0 5888 AE 4 PET HE1 HP 0.115000 1.0080 0 5889 AE 4 PET CD2 CAP -0.115000 12.0110 0 5890 AE 4 PET HD2 HP 0.115000 1.0080 0 5891 AE 4 PET CE2 CAP -0.115000 12.0110 0 5892 AE 4 PET HE2 HP 0.115000 1.0080 0 5893 AE 4 PET CG CAP 0.100000 12.0110 0 5894 AE 4 PET C1 CL 0.630000 12.0110 0 5895 AE 4 PET O11 OBL -0.520000 15.9990 0 5896 AE 4 PET O12 OSL -0.340000 15.9990 0 5897 AE 4 PET C3 CTL2 -0.050000 12.0110 0 5898 AE 4 PET H31 HAL2 0.090000 1.0080 0 5899 AE 4 PET H32 HAL2 0.090000 1.0080 0 5900 AE 4 PET CZ CAP 0.100000 12.0110 0 5901 AE 4 PET C2 CL 0.630000 12.0110 0 5902 AE 4 PET O21 OBL -0.520000 15.9990 0 5903 AE 4 PET O22 OSL -0.340000 15.9990 0 5904 AE 4 PET C4 CTL2 -0.050000 12.0110 0 5905 AE 4 PET H41 HAL2 0.090000 1.0080 0 5906 AE 4 PET H42 HAL2 0.090000 1.0080 0 5907 AE 5 PET CD1 CAP -0.115000 12.0110 0 5908 AE 5 PET HD1 HP 0.115000 1.0080 0 5909 AE 5 PET CE1 CAP -0.115000 12.0110 0 5910 AE 5 PET HE1 HP 0.115000 1.0080 0 5911 AE 5 PET CD2 CAP -0.115000 12.0110 0 5912 AE 5 PET HD2 HP 0.115000 1.0080 0 5913 AE 5 PET CE2 CAP -0.115000 12.0110 0 5914 AE 5 PET HE2 HP 0.115000 1.0080 0 5915 AE 5 PET CG CAP 0.100000 12.0110 0 5916 AE 5 PET C1 CL 0.630000 12.0110 0 5917 AE 5 PET O11 OBL -0.520000 15.9990 0 5918 AE 5 PET O12 OSL -0.340000 15.9990 0 5919 AE 5 PET C3 CTL2 -0.050000 12.0110 0 5920 AE 5 PET H31 HAL2 0.090000 1.0080 0 5921 AE 5 PET H32 HAL2 0.090000 1.0080 0 5922 AE 5 PET CZ CAP 0.100000 12.0110 0 5923 AE 5 PET C2 CL 0.630000 12.0110 0 5924 AE 5 PET O21 OBL -0.520000 15.9990 0 5925 AE 5 PET O22 OSL -0.340000 15.9990 0 5926 AE 5 PET C4 CTL2 -0.050000 12.0110 0 5927 AE 5 PET H41 HAL2 0.090000 1.0080 0 5928 AE 5 PET H42 HAL2 0.090000 1.0080 0 5929 AE 6 PET CD1 CAP -0.115000 12.0110 0 5930 AE 6 PET HD1 HP 0.115000 1.0080 0 5931 AE 6 PET CE1 CAP -0.115000 12.0110 0 5932 AE 6 PET HE1 HP 0.115000 1.0080 0 5933 AE 6 PET CD2 CAP -0.115000 12.0110 0 5934 AE 6 PET HD2 HP 0.115000 1.0080 0 5935 AE 6 PET CE2 CAP -0.115000 12.0110 0 5936 AE 6 PET HE2 HP 0.115000 1.0080 0 5937 AE 6 PET CG CAP 0.100000 12.0110 0 5938 AE 6 PET C1 CL 0.630000 12.0110 0 5939 AE 6 PET O11 OBL -0.520000 15.9990 0 5940 AE 6 PET O12 OSL -0.340000 15.9990 0 5941 AE 6 PET C3 CTL2 -0.050000 12.0110 0 5942 AE 6 PET H31 HAL2 0.090000 1.0080 0 5943 AE 6 PET H32 HAL2 0.090000 1.0080 0 5944 AE 6 PET CZ CAP 0.100000 12.0110 0 5945 AE 6 PET C2 CL 0.630000 12.0110 0 5946 AE 6 PET O21 OBL -0.520000 15.9990 0 5947 AE 6 PET O22 OSL -0.340000 15.9990 0 5948 AE 6 PET C4 CTL2 -0.050000 12.0110 0 5949 AE 6 PET H41 HAL2 0.090000 1.0080 0 5950 AE 6 PET H42 HAL2 0.090000 1.0080 0 5951 AE 7 PET CD1 CAP -0.115000 12.0110 0 5952 AE 7 PET HD1 HP 0.115000 1.0080 0 5953 AE 7 PET CE1 CAP -0.115000 12.0110 0 5954 AE 7 PET HE1 HP 0.115000 1.0080 0 5955 AE 7 PET CD2 CAP -0.115000 12.0110 0 5956 AE 7 PET HD2 HP 0.115000 1.0080 0 5957 AE 7 PET CE2 CAP -0.115000 12.0110 0 5958 AE 7 PET HE2 HP 0.115000 1.0080 0 5959 AE 7 PET CG CAP 0.100000 12.0110 0 5960 AE 7 PET C1 CL 0.630000 12.0110 0 5961 AE 7 PET O11 OBL -0.520000 15.9990 0 5962 AE 7 PET O12 OSL -0.340000 15.9990 0 5963 AE 7 PET C3 CTL2 -0.050000 12.0110 0 5964 AE 7 PET H31 HAL2 0.090000 1.0080 0 5965 AE 7 PET H32 HAL2 0.090000 1.0080 0 5966 AE 7 PET CZ CAP 0.100000 12.0110 0 5967 AE 7 PET C2 CL 0.630000 12.0110 0 5968 AE 7 PET O21 OBL -0.520000 15.9990 0 5969 AE 7 PET O22 OSL -0.340000 15.9990 0 5970 AE 7 PET C4 CTL2 -0.050000 12.0110 0 5971 AE 7 PET H41 HAL2 0.090000 1.0080 0 5972 AE 7 PET H42 HAL2 0.090000 1.0080 0 5973 AE 8 PET CD1 CAP -0.115000 12.0110 0 5974 AE 8 PET HD1 HP 0.115000 1.0080 0 5975 AE 8 PET CE1 CAP -0.115000 12.0110 0 5976 AE 8 PET HE1 HP 0.115000 1.0080 0 5977 AE 8 PET CD2 CAP -0.115000 12.0110 0 5978 AE 8 PET HD2 HP 0.115000 1.0080 0 5979 AE 8 PET CE2 CAP -0.115000 12.0110 0 5980 AE 8 PET HE2 HP 0.115000 1.0080 0 5981 AE 8 PET CG CAP 0.100000 12.0110 0 5982 AE 8 PET C1 CL 0.630000 12.0110 0 5983 AE 8 PET O11 OBL -0.520000 15.9990 0 5984 AE 8 PET O12 OSL -0.340000 15.9990 0 5985 AE 8 PET C3 CTL2 -0.050000 12.0110 0 5986 AE 8 PET H31 HAL2 0.090000 1.0080 0 5987 AE 8 PET H32 HAL2 0.090000 1.0080 0 5988 AE 8 PET CZ CAP 0.100000 12.0110 0 5989 AE 8 PET C2 CL 0.630000 12.0110 0 5990 AE 8 PET O21 OBL -0.520000 15.9990 0 5991 AE 8 PET O22 OSL -0.340000 15.9990 0 5992 AE 8 PET C4 CTL2 -0.050000 12.0110 0 5993 AE 8 PET H41 HAL2 0.090000 1.0080 0 5994 AE 8 PET H42 HAL2 0.090000 1.0080 0 5995 AE 9 PET C1 CD 0.750000 12.0110 0 5996 AE 9 PET O11 OB -0.550000 15.9990 0 5997 AE 9 PET O12 OH1 -0.610000 15.9990 0 5998 AE 9 PET CG CAP -0.030000 12.0110 0 5999 AE 9 PET H12 H 0.440000 1.0080 0 6000 AE 9 PET CD1 CAP -0.115000 12.0110 0 6001 AE 9 PET HD1 HP 0.115000 1.0080 0 6002 AE 9 PET CE1 CAP -0.115000 12.0110 0 6003 AE 9 PET HE1 HP 0.115000 1.0080 0 6004 AE 9 PET CD2 CAP -0.115000 12.0110 0 6005 AE 9 PET HD2 HP 0.115000 1.0080 0 6006 AE 9 PET CE2 CAP -0.115000 12.0110 0 6007 AE 9 PET HE2 HP 0.115000 1.0080 0 6008 AE 9 PET CZ CAP 0.100000 12.0110 0 6009 AE 9 PET C2 CL 0.630000 12.0110 0 6010 AE 9 PET O21 OBL -0.520000 15.9990 0 6011 AE 9 PET O22 OSL -0.340000 15.9990 0 6012 AE 9 PET C4 CTL2 -0.050000 12.0110 0 6013 AE 9 PET H41 HAL2 0.090000 1.0080 0 6014 AE 9 PET H42 HAL2 0.090000 1.0080 0 6015 AF 1 PET C2 CD 0.750000 12.0110 0 6016 AF 1 PET O21 OB -0.550000 15.9990 0 6017 AF 1 PET O22 OH1 -0.610000 15.9990 0 6018 AF 1 PET CZ CAP -0.030000 12.0110 0 6019 AF 1 PET H22 H 0.440000 1.0080 0 6020 AF 1 PET CD1 CAP -0.115000 12.0110 0 6021 AF 1 PET HD1 HP 0.115000 1.0080 0 6022 AF 1 PET CE1 CAP -0.115000 12.0110 0 6023 AF 1 PET HE1 HP 0.115000 1.0080 0 6024 AF 1 PET CD2 CAP -0.115000 12.0110 0 6025 AF 1 PET HD2 HP 0.115000 1.0080 0 6026 AF 1 PET CE2 CAP -0.115000 12.0110 0 6027 AF 1 PET HE2 HP 0.115000 1.0080 0 6028 AF 1 PET CG CAP 0.100000 12.0110 0 6029 AF 1 PET C1 CL 0.630000 12.0110 0 6030 AF 1 PET O11 OBL -0.520000 15.9990 0 6031 AF 1 PET O12 OSL -0.340000 15.9990 0 6032 AF 1 PET C3 CTL2 -0.050000 12.0110 0 6033 AF 1 PET H31 HAL2 0.090000 1.0080 0 6034 AF 1 PET H32 HAL2 0.090000 1.0080 0 6035 AF 2 PET CD1 CAP -0.115000 12.0110 0 6036 AF 2 PET HD1 HP 0.115000 1.0080 0 6037 AF 2 PET CE1 CAP -0.115000 12.0110 0 6038 AF 2 PET HE1 HP 0.115000 1.0080 0 6039 AF 2 PET CD2 CAP -0.115000 12.0110 0 6040 AF 2 PET HD2 HP 0.115000 1.0080 0 6041 AF 2 PET CE2 CAP -0.115000 12.0110 0 6042 AF 2 PET HE2 HP 0.115000 1.0080 0 6043 AF 2 PET CG CAP 0.100000 12.0110 0 6044 AF 2 PET C1 CL 0.630000 12.0110 0 6045 AF 2 PET O11 OBL -0.520000 15.9990 0 6046 AF 2 PET O12 OSL -0.340000 15.9990 0 6047 AF 2 PET C3 CTL2 -0.050000 12.0110 0 6048 AF 2 PET H31 HAL2 0.090000 1.0080 0 6049 AF 2 PET H32 HAL2 0.090000 1.0080 0 6050 AF 2 PET CZ CAP 0.100000 12.0110 0 6051 AF 2 PET C2 CL 0.630000 12.0110 0 6052 AF 2 PET O21 OBL -0.520000 15.9990 0 6053 AF 2 PET O22 OSL -0.340000 15.9990 0 6054 AF 2 PET C4 CTL2 -0.050000 12.0110 0 6055 AF 2 PET H41 HAL2 0.090000 1.0080 0 6056 AF 2 PET H42 HAL2 0.090000 1.0080 0 6057 AF 3 PET CD1 CAP -0.115000 12.0110 0 6058 AF 3 PET HD1 HP 0.115000 1.0080 0 6059 AF 3 PET CE1 CAP -0.115000 12.0110 0 6060 AF 3 PET HE1 HP 0.115000 1.0080 0 6061 AF 3 PET CD2 CAP -0.115000 12.0110 0 6062 AF 3 PET HD2 HP 0.115000 1.0080 0 6063 AF 3 PET CE2 CAP -0.115000 12.0110 0 6064 AF 3 PET HE2 HP 0.115000 1.0080 0 6065 AF 3 PET CG CAP 0.100000 12.0110 0 6066 AF 3 PET C1 CL 0.630000 12.0110 0 6067 AF 3 PET O11 OBL -0.520000 15.9990 0 6068 AF 3 PET O12 OSL -0.340000 15.9990 0 6069 AF 3 PET C3 CTL2 -0.050000 12.0110 0 6070 AF 3 PET H31 HAL2 0.090000 1.0080 0 6071 AF 3 PET H32 HAL2 0.090000 1.0080 0 6072 AF 3 PET CZ CAP 0.100000 12.0110 0 6073 AF 3 PET C2 CL 0.630000 12.0110 0 6074 AF 3 PET O21 OBL -0.520000 15.9990 0 6075 AF 3 PET O22 OSL -0.340000 15.9990 0 6076 AF 3 PET C4 CTL2 -0.050000 12.0110 0 6077 AF 3 PET H41 HAL2 0.090000 1.0080 0 6078 AF 3 PET H42 HAL2 0.090000 1.0080 0 6079 AF 4 PET CD1 CAP -0.115000 12.0110 0 6080 AF 4 PET HD1 HP 0.115000 1.0080 0 6081 AF 4 PET CE1 CAP -0.115000 12.0110 0 6082 AF 4 PET HE1 HP 0.115000 1.0080 0 6083 AF 4 PET CD2 CAP -0.115000 12.0110 0 6084 AF 4 PET HD2 HP 0.115000 1.0080 0 6085 AF 4 PET CE2 CAP -0.115000 12.0110 0 6086 AF 4 PET HE2 HP 0.115000 1.0080 0 6087 AF 4 PET CG CAP 0.100000 12.0110 0 6088 AF 4 PET C1 CL 0.630000 12.0110 0 6089 AF 4 PET O11 OBL -0.520000 15.9990 0 6090 AF 4 PET O12 OSL -0.340000 15.9990 0 6091 AF 4 PET C3 CTL2 -0.050000 12.0110 0 6092 AF 4 PET H31 HAL2 0.090000 1.0080 0 6093 AF 4 PET H32 HAL2 0.090000 1.0080 0 6094 AF 4 PET CZ CAP 0.100000 12.0110 0 6095 AF 4 PET C2 CL 0.630000 12.0110 0 6096 AF 4 PET O21 OBL -0.520000 15.9990 0 6097 AF 4 PET O22 OSL -0.340000 15.9990 0 6098 AF 4 PET C4 CTL2 -0.050000 12.0110 0 6099 AF 4 PET H41 HAL2 0.090000 1.0080 0 6100 AF 4 PET H42 HAL2 0.090000 1.0080 0 6101 AF 5 PET CD1 CAP -0.115000 12.0110 0 6102 AF 5 PET HD1 HP 0.115000 1.0080 0 6103 AF 5 PET CE1 CAP -0.115000 12.0110 0 6104 AF 5 PET HE1 HP 0.115000 1.0080 0 6105 AF 5 PET CD2 CAP -0.115000 12.0110 0 6106 AF 5 PET HD2 HP 0.115000 1.0080 0 6107 AF 5 PET CE2 CAP -0.115000 12.0110 0 6108 AF 5 PET HE2 HP 0.115000 1.0080 0 6109 AF 5 PET CG CAP 0.100000 12.0110 0 6110 AF 5 PET C1 CL 0.630000 12.0110 0 6111 AF 5 PET O11 OBL -0.520000 15.9990 0 6112 AF 5 PET O12 OSL -0.340000 15.9990 0 6113 AF 5 PET C3 CTL2 -0.050000 12.0110 0 6114 AF 5 PET H31 HAL2 0.090000 1.0080 0 6115 AF 5 PET H32 HAL2 0.090000 1.0080 0 6116 AF 5 PET CZ CAP 0.100000 12.0110 0 6117 AF 5 PET C2 CL 0.630000 12.0110 0 6118 AF 5 PET O21 OBL -0.520000 15.9990 0 6119 AF 5 PET O22 OSL -0.340000 15.9990 0 6120 AF 5 PET C4 CTL2 -0.050000 12.0110 0 6121 AF 5 PET H41 HAL2 0.090000 1.0080 0 6122 AF 5 PET H42 HAL2 0.090000 1.0080 0 6123 AF 6 PET CD1 CAP -0.115000 12.0110 0 6124 AF 6 PET HD1 HP 0.115000 1.0080 0 6125 AF 6 PET CE1 CAP -0.115000 12.0110 0 6126 AF 6 PET HE1 HP 0.115000 1.0080 0 6127 AF 6 PET CD2 CAP -0.115000 12.0110 0 6128 AF 6 PET HD2 HP 0.115000 1.0080 0 6129 AF 6 PET CE2 CAP -0.115000 12.0110 0 6130 AF 6 PET HE2 HP 0.115000 1.0080 0 6131 AF 6 PET CG CAP 0.100000 12.0110 0 6132 AF 6 PET C1 CL 0.630000 12.0110 0 6133 AF 6 PET O11 OBL -0.520000 15.9990 0 6134 AF 6 PET O12 OSL -0.340000 15.9990 0 6135 AF 6 PET C3 CTL2 -0.050000 12.0110 0 6136 AF 6 PET H31 HAL2 0.090000 1.0080 0 6137 AF 6 PET H32 HAL2 0.090000 1.0080 0 6138 AF 6 PET CZ CAP 0.100000 12.0110 0 6139 AF 6 PET C2 CL 0.630000 12.0110 0 6140 AF 6 PET O21 OBL -0.520000 15.9990 0 6141 AF 6 PET O22 OSL -0.340000 15.9990 0 6142 AF 6 PET C4 CTL2 -0.050000 12.0110 0 6143 AF 6 PET H41 HAL2 0.090000 1.0080 0 6144 AF 6 PET H42 HAL2 0.090000 1.0080 0 6145 AF 7 PET CD1 CAP -0.115000 12.0110 0 6146 AF 7 PET HD1 HP 0.115000 1.0080 0 6147 AF 7 PET CE1 CAP -0.115000 12.0110 0 6148 AF 7 PET HE1 HP 0.115000 1.0080 0 6149 AF 7 PET CD2 CAP -0.115000 12.0110 0 6150 AF 7 PET HD2 HP 0.115000 1.0080 0 6151 AF 7 PET CE2 CAP -0.115000 12.0110 0 6152 AF 7 PET HE2 HP 0.115000 1.0080 0 6153 AF 7 PET CG CAP 0.100000 12.0110 0 6154 AF 7 PET C1 CL 0.630000 12.0110 0 6155 AF 7 PET O11 OBL -0.520000 15.9990 0 6156 AF 7 PET O12 OSL -0.340000 15.9990 0 6157 AF 7 PET C3 CTL2 -0.050000 12.0110 0 6158 AF 7 PET H31 HAL2 0.090000 1.0080 0 6159 AF 7 PET H32 HAL2 0.090000 1.0080 0 6160 AF 7 PET CZ CAP 0.100000 12.0110 0 6161 AF 7 PET C2 CL 0.630000 12.0110 0 6162 AF 7 PET O21 OBL -0.520000 15.9990 0 6163 AF 7 PET O22 OSL -0.340000 15.9990 0 6164 AF 7 PET C4 CTL2 -0.050000 12.0110 0 6165 AF 7 PET H41 HAL2 0.090000 1.0080 0 6166 AF 7 PET H42 HAL2 0.090000 1.0080 0 6167 AF 8 PET CD1 CAP -0.115000 12.0110 0 6168 AF 8 PET HD1 HP 0.115000 1.0080 0 6169 AF 8 PET CE1 CAP -0.115000 12.0110 0 6170 AF 8 PET HE1 HP 0.115000 1.0080 0 6171 AF 8 PET CD2 CAP -0.115000 12.0110 0 6172 AF 8 PET HD2 HP 0.115000 1.0080 0 6173 AF 8 PET CE2 CAP -0.115000 12.0110 0 6174 AF 8 PET HE2 HP 0.115000 1.0080 0 6175 AF 8 PET CG CAP 0.100000 12.0110 0 6176 AF 8 PET C1 CL 0.630000 12.0110 0 6177 AF 8 PET O11 OBL -0.520000 15.9990 0 6178 AF 8 PET O12 OSL -0.340000 15.9990 0 6179 AF 8 PET C3 CTL2 -0.050000 12.0110 0 6180 AF 8 PET H31 HAL2 0.090000 1.0080 0 6181 AF 8 PET H32 HAL2 0.090000 1.0080 0 6182 AF 8 PET CZ CAP 0.100000 12.0110 0 6183 AF 8 PET C2 CL 0.630000 12.0110 0 6184 AF 8 PET O21 OBL -0.520000 15.9990 0 6185 AF 8 PET O22 OSL -0.340000 15.9990 0 6186 AF 8 PET C4 CTL2 -0.050000 12.0110 0 6187 AF 8 PET H41 HAL2 0.090000 1.0080 0 6188 AF 8 PET H42 HAL2 0.090000 1.0080 0 6189 AF 9 PET C1 CD 0.750000 12.0110 0 6190 AF 9 PET O11 OB -0.550000 15.9990 0 6191 AF 9 PET O12 OH1 -0.610000 15.9990 0 6192 AF 9 PET CG CAP -0.030000 12.0110 0 6193 AF 9 PET H12 H 0.440000 1.0080 0 6194 AF 9 PET CD1 CAP -0.115000 12.0110 0 6195 AF 9 PET HD1 HP 0.115000 1.0080 0 6196 AF 9 PET CE1 CAP -0.115000 12.0110 0 6197 AF 9 PET HE1 HP 0.115000 1.0080 0 6198 AF 9 PET CD2 CAP -0.115000 12.0110 0 6199 AF 9 PET HD2 HP 0.115000 1.0080 0 6200 AF 9 PET CE2 CAP -0.115000 12.0110 0 6201 AF 9 PET HE2 HP 0.115000 1.0080 0 6202 AF 9 PET CZ CAP 0.100000 12.0110 0 6203 AF 9 PET C2 CL 0.630000 12.0110 0 6204 AF 9 PET O21 OBL -0.520000 15.9990 0 6205 AF 9 PET O22 OSL -0.340000 15.9990 0 6206 AF 9 PET C4 CTL2 -0.050000 12.0110 0 6207 AF 9 PET H41 HAL2 0.090000 1.0080 0 6208 AF 9 PET H42 HAL2 0.090000 1.0080 0 6209 AG 1 PET C2 CD 0.750000 12.0110 0 6210 AG 1 PET O21 OB -0.550000 15.9990 0 6211 AG 1 PET O22 OH1 -0.610000 15.9990 0 6212 AG 1 PET CZ CAP -0.030000 12.0110 0 6213 AG 1 PET H22 H 0.440000 1.0080 0 6214 AG 1 PET CD1 CAP -0.115000 12.0110 0 6215 AG 1 PET HD1 HP 0.115000 1.0080 0 6216 AG 1 PET CE1 CAP -0.115000 12.0110 0 6217 AG 1 PET HE1 HP 0.115000 1.0080 0 6218 AG 1 PET CD2 CAP -0.115000 12.0110 0 6219 AG 1 PET HD2 HP 0.115000 1.0080 0 6220 AG 1 PET CE2 CAP -0.115000 12.0110 0 6221 AG 1 PET HE2 HP 0.115000 1.0080 0 6222 AG 1 PET CG CAP 0.100000 12.0110 0 6223 AG 1 PET C1 CL 0.630000 12.0110 0 6224 AG 1 PET O11 OBL -0.520000 15.9990 0 6225 AG 1 PET O12 OSL -0.340000 15.9990 0 6226 AG 1 PET C3 CTL2 -0.050000 12.0110 0 6227 AG 1 PET H31 HAL2 0.090000 1.0080 0 6228 AG 1 PET H32 HAL2 0.090000 1.0080 0 6229 AG 2 PET CD1 CAP -0.115000 12.0110 0 6230 AG 2 PET HD1 HP 0.115000 1.0080 0 6231 AG 2 PET CE1 CAP -0.115000 12.0110 0 6232 AG 2 PET HE1 HP 0.115000 1.0080 0 6233 AG 2 PET CD2 CAP -0.115000 12.0110 0 6234 AG 2 PET HD2 HP 0.115000 1.0080 0 6235 AG 2 PET CE2 CAP -0.115000 12.0110 0 6236 AG 2 PET HE2 HP 0.115000 1.0080 0 6237 AG 2 PET CG CAP 0.100000 12.0110 0 6238 AG 2 PET C1 CL 0.630000 12.0110 0 6239 AG 2 PET O11 OBL -0.520000 15.9990 0 6240 AG 2 PET O12 OSL -0.340000 15.9990 0 6241 AG 2 PET C3 CTL2 -0.050000 12.0110 0 6242 AG 2 PET H31 HAL2 0.090000 1.0080 0 6243 AG 2 PET H32 HAL2 0.090000 1.0080 0 6244 AG 2 PET CZ CAP 0.100000 12.0110 0 6245 AG 2 PET C2 CL 0.630000 12.0110 0 6246 AG 2 PET O21 OBL -0.520000 15.9990 0 6247 AG 2 PET O22 OSL -0.340000 15.9990 0 6248 AG 2 PET C4 CTL2 -0.050000 12.0110 0 6249 AG 2 PET H41 HAL2 0.090000 1.0080 0 6250 AG 2 PET H42 HAL2 0.090000 1.0080 0 6251 AG 3 PET CD1 CAP -0.115000 12.0110 0 6252 AG 3 PET HD1 HP 0.115000 1.0080 0 6253 AG 3 PET CE1 CAP -0.115000 12.0110 0 6254 AG 3 PET HE1 HP 0.115000 1.0080 0 6255 AG 3 PET CD2 CAP -0.115000 12.0110 0 6256 AG 3 PET HD2 HP 0.115000 1.0080 0 6257 AG 3 PET CE2 CAP -0.115000 12.0110 0 6258 AG 3 PET HE2 HP 0.115000 1.0080 0 6259 AG 3 PET CG CAP 0.100000 12.0110 0 6260 AG 3 PET C1 CL 0.630000 12.0110 0 6261 AG 3 PET O11 OBL -0.520000 15.9990 0 6262 AG 3 PET O12 OSL -0.340000 15.9990 0 6263 AG 3 PET C3 CTL2 -0.050000 12.0110 0 6264 AG 3 PET H31 HAL2 0.090000 1.0080 0 6265 AG 3 PET H32 HAL2 0.090000 1.0080 0 6266 AG 3 PET CZ CAP 0.100000 12.0110 0 6267 AG 3 PET C2 CL 0.630000 12.0110 0 6268 AG 3 PET O21 OBL -0.520000 15.9990 0 6269 AG 3 PET O22 OSL -0.340000 15.9990 0 6270 AG 3 PET C4 CTL2 -0.050000 12.0110 0 6271 AG 3 PET H41 HAL2 0.090000 1.0080 0 6272 AG 3 PET H42 HAL2 0.090000 1.0080 0 6273 AG 4 PET CD1 CAP -0.115000 12.0110 0 6274 AG 4 PET HD1 HP 0.115000 1.0080 0 6275 AG 4 PET CE1 CAP -0.115000 12.0110 0 6276 AG 4 PET HE1 HP 0.115000 1.0080 0 6277 AG 4 PET CD2 CAP -0.115000 12.0110 0 6278 AG 4 PET HD2 HP 0.115000 1.0080 0 6279 AG 4 PET CE2 CAP -0.115000 12.0110 0 6280 AG 4 PET HE2 HP 0.115000 1.0080 0 6281 AG 4 PET CG CAP 0.100000 12.0110 0 6282 AG 4 PET C1 CL 0.630000 12.0110 0 6283 AG 4 PET O11 OBL -0.520000 15.9990 0 6284 AG 4 PET O12 OSL -0.340000 15.9990 0 6285 AG 4 PET C3 CTL2 -0.050000 12.0110 0 6286 AG 4 PET H31 HAL2 0.090000 1.0080 0 6287 AG 4 PET H32 HAL2 0.090000 1.0080 0 6288 AG 4 PET CZ CAP 0.100000 12.0110 0 6289 AG 4 PET C2 CL 0.630000 12.0110 0 6290 AG 4 PET O21 OBL -0.520000 15.9990 0 6291 AG 4 PET O22 OSL -0.340000 15.9990 0 6292 AG 4 PET C4 CTL2 -0.050000 12.0110 0 6293 AG 4 PET H41 HAL2 0.090000 1.0080 0 6294 AG 4 PET H42 HAL2 0.090000 1.0080 0 6295 AG 5 PET CD1 CAP -0.115000 12.0110 0 6296 AG 5 PET HD1 HP 0.115000 1.0080 0 6297 AG 5 PET CE1 CAP -0.115000 12.0110 0 6298 AG 5 PET HE1 HP 0.115000 1.0080 0 6299 AG 5 PET CD2 CAP -0.115000 12.0110 0 6300 AG 5 PET HD2 HP 0.115000 1.0080 0 6301 AG 5 PET CE2 CAP -0.115000 12.0110 0 6302 AG 5 PET HE2 HP 0.115000 1.0080 0 6303 AG 5 PET CG CAP 0.100000 12.0110 0 6304 AG 5 PET C1 CL 0.630000 12.0110 0 6305 AG 5 PET O11 OBL -0.520000 15.9990 0 6306 AG 5 PET O12 OSL -0.340000 15.9990 0 6307 AG 5 PET C3 CTL2 -0.050000 12.0110 0 6308 AG 5 PET H31 HAL2 0.090000 1.0080 0 6309 AG 5 PET H32 HAL2 0.090000 1.0080 0 6310 AG 5 PET CZ CAP 0.100000 12.0110 0 6311 AG 5 PET C2 CL 0.630000 12.0110 0 6312 AG 5 PET O21 OBL -0.520000 15.9990 0 6313 AG 5 PET O22 OSL -0.340000 15.9990 0 6314 AG 5 PET C4 CTL2 -0.050000 12.0110 0 6315 AG 5 PET H41 HAL2 0.090000 1.0080 0 6316 AG 5 PET H42 HAL2 0.090000 1.0080 0 6317 AG 6 PET CD1 CAP -0.115000 12.0110 0 6318 AG 6 PET HD1 HP 0.115000 1.0080 0 6319 AG 6 PET CE1 CAP -0.115000 12.0110 0 6320 AG 6 PET HE1 HP 0.115000 1.0080 0 6321 AG 6 PET CD2 CAP -0.115000 12.0110 0 6322 AG 6 PET HD2 HP 0.115000 1.0080 0 6323 AG 6 PET CE2 CAP -0.115000 12.0110 0 6324 AG 6 PET HE2 HP 0.115000 1.0080 0 6325 AG 6 PET CG CAP 0.100000 12.0110 0 6326 AG 6 PET C1 CL 0.630000 12.0110 0 6327 AG 6 PET O11 OBL -0.520000 15.9990 0 6328 AG 6 PET O12 OSL -0.340000 15.9990 0 6329 AG 6 PET C3 CTL2 -0.050000 12.0110 0 6330 AG 6 PET H31 HAL2 0.090000 1.0080 0 6331 AG 6 PET H32 HAL2 0.090000 1.0080 0 6332 AG 6 PET CZ CAP 0.100000 12.0110 0 6333 AG 6 PET C2 CL 0.630000 12.0110 0 6334 AG 6 PET O21 OBL -0.520000 15.9990 0 6335 AG 6 PET O22 OSL -0.340000 15.9990 0 6336 AG 6 PET C4 CTL2 -0.050000 12.0110 0 6337 AG 6 PET H41 HAL2 0.090000 1.0080 0 6338 AG 6 PET H42 HAL2 0.090000 1.0080 0 6339 AG 7 PET CD1 CAP -0.115000 12.0110 0 6340 AG 7 PET HD1 HP 0.115000 1.0080 0 6341 AG 7 PET CE1 CAP -0.115000 12.0110 0 6342 AG 7 PET HE1 HP 0.115000 1.0080 0 6343 AG 7 PET CD2 CAP -0.115000 12.0110 0 6344 AG 7 PET HD2 HP 0.115000 1.0080 0 6345 AG 7 PET CE2 CAP -0.115000 12.0110 0 6346 AG 7 PET HE2 HP 0.115000 1.0080 0 6347 AG 7 PET CG CAP 0.100000 12.0110 0 6348 AG 7 PET C1 CL 0.630000 12.0110 0 6349 AG 7 PET O11 OBL -0.520000 15.9990 0 6350 AG 7 PET O12 OSL -0.340000 15.9990 0 6351 AG 7 PET C3 CTL2 -0.050000 12.0110 0 6352 AG 7 PET H31 HAL2 0.090000 1.0080 0 6353 AG 7 PET H32 HAL2 0.090000 1.0080 0 6354 AG 7 PET CZ CAP 0.100000 12.0110 0 6355 AG 7 PET C2 CL 0.630000 12.0110 0 6356 AG 7 PET O21 OBL -0.520000 15.9990 0 6357 AG 7 PET O22 OSL -0.340000 15.9990 0 6358 AG 7 PET C4 CTL2 -0.050000 12.0110 0 6359 AG 7 PET H41 HAL2 0.090000 1.0080 0 6360 AG 7 PET H42 HAL2 0.090000 1.0080 0 6361 AG 8 PET CD1 CAP -0.115000 12.0110 0 6362 AG 8 PET HD1 HP 0.115000 1.0080 0 6363 AG 8 PET CE1 CAP -0.115000 12.0110 0 6364 AG 8 PET HE1 HP 0.115000 1.0080 0 6365 AG 8 PET CD2 CAP -0.115000 12.0110 0 6366 AG 8 PET HD2 HP 0.115000 1.0080 0 6367 AG 8 PET CE2 CAP -0.115000 12.0110 0 6368 AG 8 PET HE2 HP 0.115000 1.0080 0 6369 AG 8 PET CG CAP 0.100000 12.0110 0 6370 AG 8 PET C1 CL 0.630000 12.0110 0 6371 AG 8 PET O11 OBL -0.520000 15.9990 0 6372 AG 8 PET O12 OSL -0.340000 15.9990 0 6373 AG 8 PET C3 CTL2 -0.050000 12.0110 0 6374 AG 8 PET H31 HAL2 0.090000 1.0080 0 6375 AG 8 PET H32 HAL2 0.090000 1.0080 0 6376 AG 8 PET CZ CAP 0.100000 12.0110 0 6377 AG 8 PET C2 CL 0.630000 12.0110 0 6378 AG 8 PET O21 OBL -0.520000 15.9990 0 6379 AG 8 PET O22 OSL -0.340000 15.9990 0 6380 AG 8 PET C4 CTL2 -0.050000 12.0110 0 6381 AG 8 PET H41 HAL2 0.090000 1.0080 0 6382 AG 8 PET H42 HAL2 0.090000 1.0080 0 6383 AG 9 PET C1 CD 0.750000 12.0110 0 6384 AG 9 PET O11 OB -0.550000 15.9990 0 6385 AG 9 PET O12 OH1 -0.610000 15.9990 0 6386 AG 9 PET CG CAP -0.030000 12.0110 0 6387 AG 9 PET H12 H 0.440000 1.0080 0 6388 AG 9 PET CD1 CAP -0.115000 12.0110 0 6389 AG 9 PET HD1 HP 0.115000 1.0080 0 6390 AG 9 PET CE1 CAP -0.115000 12.0110 0 6391 AG 9 PET HE1 HP 0.115000 1.0080 0 6392 AG 9 PET CD2 CAP -0.115000 12.0110 0 6393 AG 9 PET HD2 HP 0.115000 1.0080 0 6394 AG 9 PET CE2 CAP -0.115000 12.0110 0 6395 AG 9 PET HE2 HP 0.115000 1.0080 0 6396 AG 9 PET CZ CAP 0.100000 12.0110 0 6397 AG 9 PET C2 CL 0.630000 12.0110 0 6398 AG 9 PET O21 OBL -0.520000 15.9990 0 6399 AG 9 PET O22 OSL -0.340000 15.9990 0 6400 AG 9 PET C4 CTL2 -0.050000 12.0110 0 6401 AG 9 PET H41 HAL2 0.090000 1.0080 0 6402 AG 9 PET H42 HAL2 0.090000 1.0080 0 6403 AH 1 PET C2 CD 0.750000 12.0110 0 6404 AH 1 PET O21 OB -0.550000 15.9990 0 6405 AH 1 PET O22 OH1 -0.610000 15.9990 0 6406 AH 1 PET CZ CAP -0.030000 12.0110 0 6407 AH 1 PET H22 H 0.440000 1.0080 0 6408 AH 1 PET CD1 CAP -0.115000 12.0110 0 6409 AH 1 PET HD1 HP 0.115000 1.0080 0 6410 AH 1 PET CE1 CAP -0.115000 12.0110 0 6411 AH 1 PET HE1 HP 0.115000 1.0080 0 6412 AH 1 PET CD2 CAP -0.115000 12.0110 0 6413 AH 1 PET HD2 HP 0.115000 1.0080 0 6414 AH 1 PET CE2 CAP -0.115000 12.0110 0 6415 AH 1 PET HE2 HP 0.115000 1.0080 0 6416 AH 1 PET CG CAP 0.100000 12.0110 0 6417 AH 1 PET C1 CL 0.630000 12.0110 0 6418 AH 1 PET O11 OBL -0.520000 15.9990 0 6419 AH 1 PET O12 OSL -0.340000 15.9990 0 6420 AH 1 PET C3 CTL2 -0.050000 12.0110 0 6421 AH 1 PET H31 HAL2 0.090000 1.0080 0 6422 AH 1 PET H32 HAL2 0.090000 1.0080 0 6423 AH 2 PET CD1 CAP -0.115000 12.0110 0 6424 AH 2 PET HD1 HP 0.115000 1.0080 0 6425 AH 2 PET CE1 CAP -0.115000 12.0110 0 6426 AH 2 PET HE1 HP 0.115000 1.0080 0 6427 AH 2 PET CD2 CAP -0.115000 12.0110 0 6428 AH 2 PET HD2 HP 0.115000 1.0080 0 6429 AH 2 PET CE2 CAP -0.115000 12.0110 0 6430 AH 2 PET HE2 HP 0.115000 1.0080 0 6431 AH 2 PET CG CAP 0.100000 12.0110 0 6432 AH 2 PET C1 CL 0.630000 12.0110 0 6433 AH 2 PET O11 OBL -0.520000 15.9990 0 6434 AH 2 PET O12 OSL -0.340000 15.9990 0 6435 AH 2 PET C3 CTL2 -0.050000 12.0110 0 6436 AH 2 PET H31 HAL2 0.090000 1.0080 0 6437 AH 2 PET H32 HAL2 0.090000 1.0080 0 6438 AH 2 PET CZ CAP 0.100000 12.0110 0 6439 AH 2 PET C2 CL 0.630000 12.0110 0 6440 AH 2 PET O21 OBL -0.520000 15.9990 0 6441 AH 2 PET O22 OSL -0.340000 15.9990 0 6442 AH 2 PET C4 CTL2 -0.050000 12.0110 0 6443 AH 2 PET H41 HAL2 0.090000 1.0080 0 6444 AH 2 PET H42 HAL2 0.090000 1.0080 0 6445 AH 3 PET CD1 CAP -0.115000 12.0110 0 6446 AH 3 PET HD1 HP 0.115000 1.0080 0 6447 AH 3 PET CE1 CAP -0.115000 12.0110 0 6448 AH 3 PET HE1 HP 0.115000 1.0080 0 6449 AH 3 PET CD2 CAP -0.115000 12.0110 0 6450 AH 3 PET HD2 HP 0.115000 1.0080 0 6451 AH 3 PET CE2 CAP -0.115000 12.0110 0 6452 AH 3 PET HE2 HP 0.115000 1.0080 0 6453 AH 3 PET CG CAP 0.100000 12.0110 0 6454 AH 3 PET C1 CL 0.630000 12.0110 0 6455 AH 3 PET O11 OBL -0.520000 15.9990 0 6456 AH 3 PET O12 OSL -0.340000 15.9990 0 6457 AH 3 PET C3 CTL2 -0.050000 12.0110 0 6458 AH 3 PET H31 HAL2 0.090000 1.0080 0 6459 AH 3 PET H32 HAL2 0.090000 1.0080 0 6460 AH 3 PET CZ CAP 0.100000 12.0110 0 6461 AH 3 PET C2 CL 0.630000 12.0110 0 6462 AH 3 PET O21 OBL -0.520000 15.9990 0 6463 AH 3 PET O22 OSL -0.340000 15.9990 0 6464 AH 3 PET C4 CTL2 -0.050000 12.0110 0 6465 AH 3 PET H41 HAL2 0.090000 1.0080 0 6466 AH 3 PET H42 HAL2 0.090000 1.0080 0 6467 AH 4 PET CD1 CAP -0.115000 12.0110 0 6468 AH 4 PET HD1 HP 0.115000 1.0080 0 6469 AH 4 PET CE1 CAP -0.115000 12.0110 0 6470 AH 4 PET HE1 HP 0.115000 1.0080 0 6471 AH 4 PET CD2 CAP -0.115000 12.0110 0 6472 AH 4 PET HD2 HP 0.115000 1.0080 0 6473 AH 4 PET CE2 CAP -0.115000 12.0110 0 6474 AH 4 PET HE2 HP 0.115000 1.0080 0 6475 AH 4 PET CG CAP 0.100000 12.0110 0 6476 AH 4 PET C1 CL 0.630000 12.0110 0 6477 AH 4 PET O11 OBL -0.520000 15.9990 0 6478 AH 4 PET O12 OSL -0.340000 15.9990 0 6479 AH 4 PET C3 CTL2 -0.050000 12.0110 0 6480 AH 4 PET H31 HAL2 0.090000 1.0080 0 6481 AH 4 PET H32 HAL2 0.090000 1.0080 0 6482 AH 4 PET CZ CAP 0.100000 12.0110 0 6483 AH 4 PET C2 CL 0.630000 12.0110 0 6484 AH 4 PET O21 OBL -0.520000 15.9990 0 6485 AH 4 PET O22 OSL -0.340000 15.9990 0 6486 AH 4 PET C4 CTL2 -0.050000 12.0110 0 6487 AH 4 PET H41 HAL2 0.090000 1.0080 0 6488 AH 4 PET H42 HAL2 0.090000 1.0080 0 6489 AH 5 PET CD1 CAP -0.115000 12.0110 0 6490 AH 5 PET HD1 HP 0.115000 1.0080 0 6491 AH 5 PET CE1 CAP -0.115000 12.0110 0 6492 AH 5 PET HE1 HP 0.115000 1.0080 0 6493 AH 5 PET CD2 CAP -0.115000 12.0110 0 6494 AH 5 PET HD2 HP 0.115000 1.0080 0 6495 AH 5 PET CE2 CAP -0.115000 12.0110 0 6496 AH 5 PET HE2 HP 0.115000 1.0080 0 6497 AH 5 PET CG CAP 0.100000 12.0110 0 6498 AH 5 PET C1 CL 0.630000 12.0110 0 6499 AH 5 PET O11 OBL -0.520000 15.9990 0 6500 AH 5 PET O12 OSL -0.340000 15.9990 0 6501 AH 5 PET C3 CTL2 -0.050000 12.0110 0 6502 AH 5 PET H31 HAL2 0.090000 1.0080 0 6503 AH 5 PET H32 HAL2 0.090000 1.0080 0 6504 AH 5 PET CZ CAP 0.100000 12.0110 0 6505 AH 5 PET C2 CL 0.630000 12.0110 0 6506 AH 5 PET O21 OBL -0.520000 15.9990 0 6507 AH 5 PET O22 OSL -0.340000 15.9990 0 6508 AH 5 PET C4 CTL2 -0.050000 12.0110 0 6509 AH 5 PET H41 HAL2 0.090000 1.0080 0 6510 AH 5 PET H42 HAL2 0.090000 1.0080 0 6511 AH 6 PET CD1 CAP -0.115000 12.0110 0 6512 AH 6 PET HD1 HP 0.115000 1.0080 0 6513 AH 6 PET CE1 CAP -0.115000 12.0110 0 6514 AH 6 PET HE1 HP 0.115000 1.0080 0 6515 AH 6 PET CD2 CAP -0.115000 12.0110 0 6516 AH 6 PET HD2 HP 0.115000 1.0080 0 6517 AH 6 PET CE2 CAP -0.115000 12.0110 0 6518 AH 6 PET HE2 HP 0.115000 1.0080 0 6519 AH 6 PET CG CAP 0.100000 12.0110 0 6520 AH 6 PET C1 CL 0.630000 12.0110 0 6521 AH 6 PET O11 OBL -0.520000 15.9990 0 6522 AH 6 PET O12 OSL -0.340000 15.9990 0 6523 AH 6 PET C3 CTL2 -0.050000 12.0110 0 6524 AH 6 PET H31 HAL2 0.090000 1.0080 0 6525 AH 6 PET H32 HAL2 0.090000 1.0080 0 6526 AH 6 PET CZ CAP 0.100000 12.0110 0 6527 AH 6 PET C2 CL 0.630000 12.0110 0 6528 AH 6 PET O21 OBL -0.520000 15.9990 0 6529 AH 6 PET O22 OSL -0.340000 15.9990 0 6530 AH 6 PET C4 CTL2 -0.050000 12.0110 0 6531 AH 6 PET H41 HAL2 0.090000 1.0080 0 6532 AH 6 PET H42 HAL2 0.090000 1.0080 0 6533 AH 7 PET CD1 CAP -0.115000 12.0110 0 6534 AH 7 PET HD1 HP 0.115000 1.0080 0 6535 AH 7 PET CE1 CAP -0.115000 12.0110 0 6536 AH 7 PET HE1 HP 0.115000 1.0080 0 6537 AH 7 PET CD2 CAP -0.115000 12.0110 0 6538 AH 7 PET HD2 HP 0.115000 1.0080 0 6539 AH 7 PET CE2 CAP -0.115000 12.0110 0 6540 AH 7 PET HE2 HP 0.115000 1.0080 0 6541 AH 7 PET CG CAP 0.100000 12.0110 0 6542 AH 7 PET C1 CL 0.630000 12.0110 0 6543 AH 7 PET O11 OBL -0.520000 15.9990 0 6544 AH 7 PET O12 OSL -0.340000 15.9990 0 6545 AH 7 PET C3 CTL2 -0.050000 12.0110 0 6546 AH 7 PET H31 HAL2 0.090000 1.0080 0 6547 AH 7 PET H32 HAL2 0.090000 1.0080 0 6548 AH 7 PET CZ CAP 0.100000 12.0110 0 6549 AH 7 PET C2 CL 0.630000 12.0110 0 6550 AH 7 PET O21 OBL -0.520000 15.9990 0 6551 AH 7 PET O22 OSL -0.340000 15.9990 0 6552 AH 7 PET C4 CTL2 -0.050000 12.0110 0 6553 AH 7 PET H41 HAL2 0.090000 1.0080 0 6554 AH 7 PET H42 HAL2 0.090000 1.0080 0 6555 AH 8 PET CD1 CAP -0.115000 12.0110 0 6556 AH 8 PET HD1 HP 0.115000 1.0080 0 6557 AH 8 PET CE1 CAP -0.115000 12.0110 0 6558 AH 8 PET HE1 HP 0.115000 1.0080 0 6559 AH 8 PET CD2 CAP -0.115000 12.0110 0 6560 AH 8 PET HD2 HP 0.115000 1.0080 0 6561 AH 8 PET CE2 CAP -0.115000 12.0110 0 6562 AH 8 PET HE2 HP 0.115000 1.0080 0 6563 AH 8 PET CG CAP 0.100000 12.0110 0 6564 AH 8 PET C1 CL 0.630000 12.0110 0 6565 AH 8 PET O11 OBL -0.520000 15.9990 0 6566 AH 8 PET O12 OSL -0.340000 15.9990 0 6567 AH 8 PET C3 CTL2 -0.050000 12.0110 0 6568 AH 8 PET H31 HAL2 0.090000 1.0080 0 6569 AH 8 PET H32 HAL2 0.090000 1.0080 0 6570 AH 8 PET CZ CAP 0.100000 12.0110 0 6571 AH 8 PET C2 CL 0.630000 12.0110 0 6572 AH 8 PET O21 OBL -0.520000 15.9990 0 6573 AH 8 PET O22 OSL -0.340000 15.9990 0 6574 AH 8 PET C4 CTL2 -0.050000 12.0110 0 6575 AH 8 PET H41 HAL2 0.090000 1.0080 0 6576 AH 8 PET H42 HAL2 0.090000 1.0080 0 6577 AH 9 PET C1 CD 0.750000 12.0110 0 6578 AH 9 PET O11 OB -0.550000 15.9990 0 6579 AH 9 PET O12 OH1 -0.610000 15.9990 0 6580 AH 9 PET CG CAP -0.030000 12.0110 0 6581 AH 9 PET H12 H 0.440000 1.0080 0 6582 AH 9 PET CD1 CAP -0.115000 12.0110 0 6583 AH 9 PET HD1 HP 0.115000 1.0080 0 6584 AH 9 PET CE1 CAP -0.115000 12.0110 0 6585 AH 9 PET HE1 HP 0.115000 1.0080 0 6586 AH 9 PET CD2 CAP -0.115000 12.0110 0 6587 AH 9 PET HD2 HP 0.115000 1.0080 0 6588 AH 9 PET CE2 CAP -0.115000 12.0110 0 6589 AH 9 PET HE2 HP 0.115000 1.0080 0 6590 AH 9 PET CZ CAP 0.100000 12.0110 0 6591 AH 9 PET C2 CL 0.630000 12.0110 0 6592 AH 9 PET O21 OBL -0.520000 15.9990 0 6593 AH 9 PET O22 OSL -0.340000 15.9990 0 6594 AH 9 PET C4 CTL2 -0.050000 12.0110 0 6595 AH 9 PET H41 HAL2 0.090000 1.0080 0 6596 AH 9 PET H42 HAL2 0.090000 1.0080 0 6597 AI 1 PET C2 CD 0.750000 12.0110 0 6598 AI 1 PET O21 OB -0.550000 15.9990 0 6599 AI 1 PET O22 OH1 -0.610000 15.9990 0 6600 AI 1 PET CZ CAP -0.030000 12.0110 0 6601 AI 1 PET H22 H 0.440000 1.0080 0 6602 AI 1 PET CD1 CAP -0.115000 12.0110 0 6603 AI 1 PET HD1 HP 0.115000 1.0080 0 6604 AI 1 PET CE1 CAP -0.115000 12.0110 0 6605 AI 1 PET HE1 HP 0.115000 1.0080 0 6606 AI 1 PET CD2 CAP -0.115000 12.0110 0 6607 AI 1 PET HD2 HP 0.115000 1.0080 0 6608 AI 1 PET CE2 CAP -0.115000 12.0110 0 6609 AI 1 PET HE2 HP 0.115000 1.0080 0 6610 AI 1 PET CG CAP 0.100000 12.0110 0 6611 AI 1 PET C1 CL 0.630000 12.0110 0 6612 AI 1 PET O11 OBL -0.520000 15.9990 0 6613 AI 1 PET O12 OSL -0.340000 15.9990 0 6614 AI 1 PET C3 CTL2 -0.050000 12.0110 0 6615 AI 1 PET H31 HAL2 0.090000 1.0080 0 6616 AI 1 PET H32 HAL2 0.090000 1.0080 0 6617 AI 2 PET CD1 CAP -0.115000 12.0110 0 6618 AI 2 PET HD1 HP 0.115000 1.0080 0 6619 AI 2 PET CE1 CAP -0.115000 12.0110 0 6620 AI 2 PET HE1 HP 0.115000 1.0080 0 6621 AI 2 PET CD2 CAP -0.115000 12.0110 0 6622 AI 2 PET HD2 HP 0.115000 1.0080 0 6623 AI 2 PET CE2 CAP -0.115000 12.0110 0 6624 AI 2 PET HE2 HP 0.115000 1.0080 0 6625 AI 2 PET CG CAP 0.100000 12.0110 0 6626 AI 2 PET C1 CL 0.630000 12.0110 0 6627 AI 2 PET O11 OBL -0.520000 15.9990 0 6628 AI 2 PET O12 OSL -0.340000 15.9990 0 6629 AI 2 PET C3 CTL2 -0.050000 12.0110 0 6630 AI 2 PET H31 HAL2 0.090000 1.0080 0 6631 AI 2 PET H32 HAL2 0.090000 1.0080 0 6632 AI 2 PET CZ CAP 0.100000 12.0110 0 6633 AI 2 PET C2 CL 0.630000 12.0110 0 6634 AI 2 PET O21 OBL -0.520000 15.9990 0 6635 AI 2 PET O22 OSL -0.340000 15.9990 0 6636 AI 2 PET C4 CTL2 -0.050000 12.0110 0 6637 AI 2 PET H41 HAL2 0.090000 1.0080 0 6638 AI 2 PET H42 HAL2 0.090000 1.0080 0 6639 AI 3 PET CD1 CAP -0.115000 12.0110 0 6640 AI 3 PET HD1 HP 0.115000 1.0080 0 6641 AI 3 PET CE1 CAP -0.115000 12.0110 0 6642 AI 3 PET HE1 HP 0.115000 1.0080 0 6643 AI 3 PET CD2 CAP -0.115000 12.0110 0 6644 AI 3 PET HD2 HP 0.115000 1.0080 0 6645 AI 3 PET CE2 CAP -0.115000 12.0110 0 6646 AI 3 PET HE2 HP 0.115000 1.0080 0 6647 AI 3 PET CG CAP 0.100000 12.0110 0 6648 AI 3 PET C1 CL 0.630000 12.0110 0 6649 AI 3 PET O11 OBL -0.520000 15.9990 0 6650 AI 3 PET O12 OSL -0.340000 15.9990 0 6651 AI 3 PET C3 CTL2 -0.050000 12.0110 0 6652 AI 3 PET H31 HAL2 0.090000 1.0080 0 6653 AI 3 PET H32 HAL2 0.090000 1.0080 0 6654 AI 3 PET CZ CAP 0.100000 12.0110 0 6655 AI 3 PET C2 CL 0.630000 12.0110 0 6656 AI 3 PET O21 OBL -0.520000 15.9990 0 6657 AI 3 PET O22 OSL -0.340000 15.9990 0 6658 AI 3 PET C4 CTL2 -0.050000 12.0110 0 6659 AI 3 PET H41 HAL2 0.090000 1.0080 0 6660 AI 3 PET H42 HAL2 0.090000 1.0080 0 6661 AI 4 PET CD1 CAP -0.115000 12.0110 0 6662 AI 4 PET HD1 HP 0.115000 1.0080 0 6663 AI 4 PET CE1 CAP -0.115000 12.0110 0 6664 AI 4 PET HE1 HP 0.115000 1.0080 0 6665 AI 4 PET CD2 CAP -0.115000 12.0110 0 6666 AI 4 PET HD2 HP 0.115000 1.0080 0 6667 AI 4 PET CE2 CAP -0.115000 12.0110 0 6668 AI 4 PET HE2 HP 0.115000 1.0080 0 6669 AI 4 PET CG CAP 0.100000 12.0110 0 6670 AI 4 PET C1 CL 0.630000 12.0110 0 6671 AI 4 PET O11 OBL -0.520000 15.9990 0 6672 AI 4 PET O12 OSL -0.340000 15.9990 0 6673 AI 4 PET C3 CTL2 -0.050000 12.0110 0 6674 AI 4 PET H31 HAL2 0.090000 1.0080 0 6675 AI 4 PET H32 HAL2 0.090000 1.0080 0 6676 AI 4 PET CZ CAP 0.100000 12.0110 0 6677 AI 4 PET C2 CL 0.630000 12.0110 0 6678 AI 4 PET O21 OBL -0.520000 15.9990 0 6679 AI 4 PET O22 OSL -0.340000 15.9990 0 6680 AI 4 PET C4 CTL2 -0.050000 12.0110 0 6681 AI 4 PET H41 HAL2 0.090000 1.0080 0 6682 AI 4 PET H42 HAL2 0.090000 1.0080 0 6683 AI 5 PET CD1 CAP -0.115000 12.0110 0 6684 AI 5 PET HD1 HP 0.115000 1.0080 0 6685 AI 5 PET CE1 CAP -0.115000 12.0110 0 6686 AI 5 PET HE1 HP 0.115000 1.0080 0 6687 AI 5 PET CD2 CAP -0.115000 12.0110 0 6688 AI 5 PET HD2 HP 0.115000 1.0080 0 6689 AI 5 PET CE2 CAP -0.115000 12.0110 0 6690 AI 5 PET HE2 HP 0.115000 1.0080 0 6691 AI 5 PET CG CAP 0.100000 12.0110 0 6692 AI 5 PET C1 CL 0.630000 12.0110 0 6693 AI 5 PET O11 OBL -0.520000 15.9990 0 6694 AI 5 PET O12 OSL -0.340000 15.9990 0 6695 AI 5 PET C3 CTL2 -0.050000 12.0110 0 6696 AI 5 PET H31 HAL2 0.090000 1.0080 0 6697 AI 5 PET H32 HAL2 0.090000 1.0080 0 6698 AI 5 PET CZ CAP 0.100000 12.0110 0 6699 AI 5 PET C2 CL 0.630000 12.0110 0 6700 AI 5 PET O21 OBL -0.520000 15.9990 0 6701 AI 5 PET O22 OSL -0.340000 15.9990 0 6702 AI 5 PET C4 CTL2 -0.050000 12.0110 0 6703 AI 5 PET H41 HAL2 0.090000 1.0080 0 6704 AI 5 PET H42 HAL2 0.090000 1.0080 0 6705 AI 6 PET CD1 CAP -0.115000 12.0110 0 6706 AI 6 PET HD1 HP 0.115000 1.0080 0 6707 AI 6 PET CE1 CAP -0.115000 12.0110 0 6708 AI 6 PET HE1 HP 0.115000 1.0080 0 6709 AI 6 PET CD2 CAP -0.115000 12.0110 0 6710 AI 6 PET HD2 HP 0.115000 1.0080 0 6711 AI 6 PET CE2 CAP -0.115000 12.0110 0 6712 AI 6 PET HE2 HP 0.115000 1.0080 0 6713 AI 6 PET CG CAP 0.100000 12.0110 0 6714 AI 6 PET C1 CL 0.630000 12.0110 0 6715 AI 6 PET O11 OBL -0.520000 15.9990 0 6716 AI 6 PET O12 OSL -0.340000 15.9990 0 6717 AI 6 PET C3 CTL2 -0.050000 12.0110 0 6718 AI 6 PET H31 HAL2 0.090000 1.0080 0 6719 AI 6 PET H32 HAL2 0.090000 1.0080 0 6720 AI 6 PET CZ CAP 0.100000 12.0110 0 6721 AI 6 PET C2 CL 0.630000 12.0110 0 6722 AI 6 PET O21 OBL -0.520000 15.9990 0 6723 AI 6 PET O22 OSL -0.340000 15.9990 0 6724 AI 6 PET C4 CTL2 -0.050000 12.0110 0 6725 AI 6 PET H41 HAL2 0.090000 1.0080 0 6726 AI 6 PET H42 HAL2 0.090000 1.0080 0 6727 AI 7 PET CD1 CAP -0.115000 12.0110 0 6728 AI 7 PET HD1 HP 0.115000 1.0080 0 6729 AI 7 PET CE1 CAP -0.115000 12.0110 0 6730 AI 7 PET HE1 HP 0.115000 1.0080 0 6731 AI 7 PET CD2 CAP -0.115000 12.0110 0 6732 AI 7 PET HD2 HP 0.115000 1.0080 0 6733 AI 7 PET CE2 CAP -0.115000 12.0110 0 6734 AI 7 PET HE2 HP 0.115000 1.0080 0 6735 AI 7 PET CG CAP 0.100000 12.0110 0 6736 AI 7 PET C1 CL 0.630000 12.0110 0 6737 AI 7 PET O11 OBL -0.520000 15.9990 0 6738 AI 7 PET O12 OSL -0.340000 15.9990 0 6739 AI 7 PET C3 CTL2 -0.050000 12.0110 0 6740 AI 7 PET H31 HAL2 0.090000 1.0080 0 6741 AI 7 PET H32 HAL2 0.090000 1.0080 0 6742 AI 7 PET CZ CAP 0.100000 12.0110 0 6743 AI 7 PET C2 CL 0.630000 12.0110 0 6744 AI 7 PET O21 OBL -0.520000 15.9990 0 6745 AI 7 PET O22 OSL -0.340000 15.9990 0 6746 AI 7 PET C4 CTL2 -0.050000 12.0110 0 6747 AI 7 PET H41 HAL2 0.090000 1.0080 0 6748 AI 7 PET H42 HAL2 0.090000 1.0080 0 6749 AI 8 PET CD1 CAP -0.115000 12.0110 0 6750 AI 8 PET HD1 HP 0.115000 1.0080 0 6751 AI 8 PET CE1 CAP -0.115000 12.0110 0 6752 AI 8 PET HE1 HP 0.115000 1.0080 0 6753 AI 8 PET CD2 CAP -0.115000 12.0110 0 6754 AI 8 PET HD2 HP 0.115000 1.0080 0 6755 AI 8 PET CE2 CAP -0.115000 12.0110 0 6756 AI 8 PET HE2 HP 0.115000 1.0080 0 6757 AI 8 PET CG CAP 0.100000 12.0110 0 6758 AI 8 PET C1 CL 0.630000 12.0110 0 6759 AI 8 PET O11 OBL -0.520000 15.9990 0 6760 AI 8 PET O12 OSL -0.340000 15.9990 0 6761 AI 8 PET C3 CTL2 -0.050000 12.0110 0 6762 AI 8 PET H31 HAL2 0.090000 1.0080 0 6763 AI 8 PET H32 HAL2 0.090000 1.0080 0 6764 AI 8 PET CZ CAP 0.100000 12.0110 0 6765 AI 8 PET C2 CL 0.630000 12.0110 0 6766 AI 8 PET O21 OBL -0.520000 15.9990 0 6767 AI 8 PET O22 OSL -0.340000 15.9990 0 6768 AI 8 PET C4 CTL2 -0.050000 12.0110 0 6769 AI 8 PET H41 HAL2 0.090000 1.0080 0 6770 AI 8 PET H42 HAL2 0.090000 1.0080 0 6771 AI 9 PET C1 CD 0.750000 12.0110 0 6772 AI 9 PET O11 OB -0.550000 15.9990 0 6773 AI 9 PET O12 OH1 -0.610000 15.9990 0 6774 AI 9 PET CG CAP -0.030000 12.0110 0 6775 AI 9 PET H12 H 0.440000 1.0080 0 6776 AI 9 PET CD1 CAP -0.115000 12.0110 0 6777 AI 9 PET HD1 HP 0.115000 1.0080 0 6778 AI 9 PET CE1 CAP -0.115000 12.0110 0 6779 AI 9 PET HE1 HP 0.115000 1.0080 0 6780 AI 9 PET CD2 CAP -0.115000 12.0110 0 6781 AI 9 PET HD2 HP 0.115000 1.0080 0 6782 AI 9 PET CE2 CAP -0.115000 12.0110 0 6783 AI 9 PET HE2 HP 0.115000 1.0080 0 6784 AI 9 PET CZ CAP 0.100000 12.0110 0 6785 AI 9 PET C2 CL 0.630000 12.0110 0 6786 AI 9 PET O21 OBL -0.520000 15.9990 0 6787 AI 9 PET O22 OSL -0.340000 15.9990 0 6788 AI 9 PET C4 CTL2 -0.050000 12.0110 0 6789 AI 9 PET H41 HAL2 0.090000 1.0080 0 6790 AI 9 PET H42 HAL2 0.090000 1.0080 0 6791 AJ 1 PET C2 CD 0.750000 12.0110 0 6792 AJ 1 PET O21 OB -0.550000 15.9990 0 6793 AJ 1 PET O22 OH1 -0.610000 15.9990 0 6794 AJ 1 PET CZ CAP -0.030000 12.0110 0 6795 AJ 1 PET H22 H 0.440000 1.0080 0 6796 AJ 1 PET CD1 CAP -0.115000 12.0110 0 6797 AJ 1 PET HD1 HP 0.115000 1.0080 0 6798 AJ 1 PET CE1 CAP -0.115000 12.0110 0 6799 AJ 1 PET HE1 HP 0.115000 1.0080 0 6800 AJ 1 PET CD2 CAP -0.115000 12.0110 0 6801 AJ 1 PET HD2 HP 0.115000 1.0080 0 6802 AJ 1 PET CE2 CAP -0.115000 12.0110 0 6803 AJ 1 PET HE2 HP 0.115000 1.0080 0 6804 AJ 1 PET CG CAP 0.100000 12.0110 0 6805 AJ 1 PET C1 CL 0.630000 12.0110 0 6806 AJ 1 PET O11 OBL -0.520000 15.9990 0 6807 AJ 1 PET O12 OSL -0.340000 15.9990 0 6808 AJ 1 PET C3 CTL2 -0.050000 12.0110 0 6809 AJ 1 PET H31 HAL2 0.090000 1.0080 0 6810 AJ 1 PET H32 HAL2 0.090000 1.0080 0 6811 AJ 2 PET CD1 CAP -0.115000 12.0110 0 6812 AJ 2 PET HD1 HP 0.115000 1.0080 0 6813 AJ 2 PET CE1 CAP -0.115000 12.0110 0 6814 AJ 2 PET HE1 HP 0.115000 1.0080 0 6815 AJ 2 PET CD2 CAP -0.115000 12.0110 0 6816 AJ 2 PET HD2 HP 0.115000 1.0080 0 6817 AJ 2 PET CE2 CAP -0.115000 12.0110 0 6818 AJ 2 PET HE2 HP 0.115000 1.0080 0 6819 AJ 2 PET CG CAP 0.100000 12.0110 0 6820 AJ 2 PET C1 CL 0.630000 12.0110 0 6821 AJ 2 PET O11 OBL -0.520000 15.9990 0 6822 AJ 2 PET O12 OSL -0.340000 15.9990 0 6823 AJ 2 PET C3 CTL2 -0.050000 12.0110 0 6824 AJ 2 PET H31 HAL2 0.090000 1.0080 0 6825 AJ 2 PET H32 HAL2 0.090000 1.0080 0 6826 AJ 2 PET CZ CAP 0.100000 12.0110 0 6827 AJ 2 PET C2 CL 0.630000 12.0110 0 6828 AJ 2 PET O21 OBL -0.520000 15.9990 0 6829 AJ 2 PET O22 OSL -0.340000 15.9990 0 6830 AJ 2 PET C4 CTL2 -0.050000 12.0110 0 6831 AJ 2 PET H41 HAL2 0.090000 1.0080 0 6832 AJ 2 PET H42 HAL2 0.090000 1.0080 0 6833 AJ 3 PET CD1 CAP -0.115000 12.0110 0 6834 AJ 3 PET HD1 HP 0.115000 1.0080 0 6835 AJ 3 PET CE1 CAP -0.115000 12.0110 0 6836 AJ 3 PET HE1 HP 0.115000 1.0080 0 6837 AJ 3 PET CD2 CAP -0.115000 12.0110 0 6838 AJ 3 PET HD2 HP 0.115000 1.0080 0 6839 AJ 3 PET CE2 CAP -0.115000 12.0110 0 6840 AJ 3 PET HE2 HP 0.115000 1.0080 0 6841 AJ 3 PET CG CAP 0.100000 12.0110 0 6842 AJ 3 PET C1 CL 0.630000 12.0110 0 6843 AJ 3 PET O11 OBL -0.520000 15.9990 0 6844 AJ 3 PET O12 OSL -0.340000 15.9990 0 6845 AJ 3 PET C3 CTL2 -0.050000 12.0110 0 6846 AJ 3 PET H31 HAL2 0.090000 1.0080 0 6847 AJ 3 PET H32 HAL2 0.090000 1.0080 0 6848 AJ 3 PET CZ CAP 0.100000 12.0110 0 6849 AJ 3 PET C2 CL 0.630000 12.0110 0 6850 AJ 3 PET O21 OBL -0.520000 15.9990 0 6851 AJ 3 PET O22 OSL -0.340000 15.9990 0 6852 AJ 3 PET C4 CTL2 -0.050000 12.0110 0 6853 AJ 3 PET H41 HAL2 0.090000 1.0080 0 6854 AJ 3 PET H42 HAL2 0.090000 1.0080 0 6855 AJ 4 PET CD1 CAP -0.115000 12.0110 0 6856 AJ 4 PET HD1 HP 0.115000 1.0080 0 6857 AJ 4 PET CE1 CAP -0.115000 12.0110 0 6858 AJ 4 PET HE1 HP 0.115000 1.0080 0 6859 AJ 4 PET CD2 CAP -0.115000 12.0110 0 6860 AJ 4 PET HD2 HP 0.115000 1.0080 0 6861 AJ 4 PET CE2 CAP -0.115000 12.0110 0 6862 AJ 4 PET HE2 HP 0.115000 1.0080 0 6863 AJ 4 PET CG CAP 0.100000 12.0110 0 6864 AJ 4 PET C1 CL 0.630000 12.0110 0 6865 AJ 4 PET O11 OBL -0.520000 15.9990 0 6866 AJ 4 PET O12 OSL -0.340000 15.9990 0 6867 AJ 4 PET C3 CTL2 -0.050000 12.0110 0 6868 AJ 4 PET H31 HAL2 0.090000 1.0080 0 6869 AJ 4 PET H32 HAL2 0.090000 1.0080 0 6870 AJ 4 PET CZ CAP 0.100000 12.0110 0 6871 AJ 4 PET C2 CL 0.630000 12.0110 0 6872 AJ 4 PET O21 OBL -0.520000 15.9990 0 6873 AJ 4 PET O22 OSL -0.340000 15.9990 0 6874 AJ 4 PET C4 CTL2 -0.050000 12.0110 0 6875 AJ 4 PET H41 HAL2 0.090000 1.0080 0 6876 AJ 4 PET H42 HAL2 0.090000 1.0080 0 6877 AJ 5 PET CD1 CAP -0.115000 12.0110 0 6878 AJ 5 PET HD1 HP 0.115000 1.0080 0 6879 AJ 5 PET CE1 CAP -0.115000 12.0110 0 6880 AJ 5 PET HE1 HP 0.115000 1.0080 0 6881 AJ 5 PET CD2 CAP -0.115000 12.0110 0 6882 AJ 5 PET HD2 HP 0.115000 1.0080 0 6883 AJ 5 PET CE2 CAP -0.115000 12.0110 0 6884 AJ 5 PET HE2 HP 0.115000 1.0080 0 6885 AJ 5 PET CG CAP 0.100000 12.0110 0 6886 AJ 5 PET C1 CL 0.630000 12.0110 0 6887 AJ 5 PET O11 OBL -0.520000 15.9990 0 6888 AJ 5 PET O12 OSL -0.340000 15.9990 0 6889 AJ 5 PET C3 CTL2 -0.050000 12.0110 0 6890 AJ 5 PET H31 HAL2 0.090000 1.0080 0 6891 AJ 5 PET H32 HAL2 0.090000 1.0080 0 6892 AJ 5 PET CZ CAP 0.100000 12.0110 0 6893 AJ 5 PET C2 CL 0.630000 12.0110 0 6894 AJ 5 PET O21 OBL -0.520000 15.9990 0 6895 AJ 5 PET O22 OSL -0.340000 15.9990 0 6896 AJ 5 PET C4 CTL2 -0.050000 12.0110 0 6897 AJ 5 PET H41 HAL2 0.090000 1.0080 0 6898 AJ 5 PET H42 HAL2 0.090000 1.0080 0 6899 AJ 6 PET CD1 CAP -0.115000 12.0110 0 6900 AJ 6 PET HD1 HP 0.115000 1.0080 0 6901 AJ 6 PET CE1 CAP -0.115000 12.0110 0 6902 AJ 6 PET HE1 HP 0.115000 1.0080 0 6903 AJ 6 PET CD2 CAP -0.115000 12.0110 0 6904 AJ 6 PET HD2 HP 0.115000 1.0080 0 6905 AJ 6 PET CE2 CAP -0.115000 12.0110 0 6906 AJ 6 PET HE2 HP 0.115000 1.0080 0 6907 AJ 6 PET CG CAP 0.100000 12.0110 0 6908 AJ 6 PET C1 CL 0.630000 12.0110 0 6909 AJ 6 PET O11 OBL -0.520000 15.9990 0 6910 AJ 6 PET O12 OSL -0.340000 15.9990 0 6911 AJ 6 PET C3 CTL2 -0.050000 12.0110 0 6912 AJ 6 PET H31 HAL2 0.090000 1.0080 0 6913 AJ 6 PET H32 HAL2 0.090000 1.0080 0 6914 AJ 6 PET CZ CAP 0.100000 12.0110 0 6915 AJ 6 PET C2 CL 0.630000 12.0110 0 6916 AJ 6 PET O21 OBL -0.520000 15.9990 0 6917 AJ 6 PET O22 OSL -0.340000 15.9990 0 6918 AJ 6 PET C4 CTL2 -0.050000 12.0110 0 6919 AJ 6 PET H41 HAL2 0.090000 1.0080 0 6920 AJ 6 PET H42 HAL2 0.090000 1.0080 0 6921 AJ 7 PET CD1 CAP -0.115000 12.0110 0 6922 AJ 7 PET HD1 HP 0.115000 1.0080 0 6923 AJ 7 PET CE1 CAP -0.115000 12.0110 0 6924 AJ 7 PET HE1 HP 0.115000 1.0080 0 6925 AJ 7 PET CD2 CAP -0.115000 12.0110 0 6926 AJ 7 PET HD2 HP 0.115000 1.0080 0 6927 AJ 7 PET CE2 CAP -0.115000 12.0110 0 6928 AJ 7 PET HE2 HP 0.115000 1.0080 0 6929 AJ 7 PET CG CAP 0.100000 12.0110 0 6930 AJ 7 PET C1 CL 0.630000 12.0110 0 6931 AJ 7 PET O11 OBL -0.520000 15.9990 0 6932 AJ 7 PET O12 OSL -0.340000 15.9990 0 6933 AJ 7 PET C3 CTL2 -0.050000 12.0110 0 6934 AJ 7 PET H31 HAL2 0.090000 1.0080 0 6935 AJ 7 PET H32 HAL2 0.090000 1.0080 0 6936 AJ 7 PET CZ CAP 0.100000 12.0110 0 6937 AJ 7 PET C2 CL 0.630000 12.0110 0 6938 AJ 7 PET O21 OBL -0.520000 15.9990 0 6939 AJ 7 PET O22 OSL -0.340000 15.9990 0 6940 AJ 7 PET C4 CTL2 -0.050000 12.0110 0 6941 AJ 7 PET H41 HAL2 0.090000 1.0080 0 6942 AJ 7 PET H42 HAL2 0.090000 1.0080 0 6943 AJ 8 PET CD1 CAP -0.115000 12.0110 0 6944 AJ 8 PET HD1 HP 0.115000 1.0080 0 6945 AJ 8 PET CE1 CAP -0.115000 12.0110 0 6946 AJ 8 PET HE1 HP 0.115000 1.0080 0 6947 AJ 8 PET CD2 CAP -0.115000 12.0110 0 6948 AJ 8 PET HD2 HP 0.115000 1.0080 0 6949 AJ 8 PET CE2 CAP -0.115000 12.0110 0 6950 AJ 8 PET HE2 HP 0.115000 1.0080 0 6951 AJ 8 PET CG CAP 0.100000 12.0110 0 6952 AJ 8 PET C1 CL 0.630000 12.0110 0 6953 AJ 8 PET O11 OBL -0.520000 15.9990 0 6954 AJ 8 PET O12 OSL -0.340000 15.9990 0 6955 AJ 8 PET C3 CTL2 -0.050000 12.0110 0 6956 AJ 8 PET H31 HAL2 0.090000 1.0080 0 6957 AJ 8 PET H32 HAL2 0.090000 1.0080 0 6958 AJ 8 PET CZ CAP 0.100000 12.0110 0 6959 AJ 8 PET C2 CL 0.630000 12.0110 0 6960 AJ 8 PET O21 OBL -0.520000 15.9990 0 6961 AJ 8 PET O22 OSL -0.340000 15.9990 0 6962 AJ 8 PET C4 CTL2 -0.050000 12.0110 0 6963 AJ 8 PET H41 HAL2 0.090000 1.0080 0 6964 AJ 8 PET H42 HAL2 0.090000 1.0080 0 6965 AJ 9 PET C1 CD 0.750000 12.0110 0 6966 AJ 9 PET O11 OB -0.550000 15.9990 0 6967 AJ 9 PET O12 OH1 -0.610000 15.9990 0 6968 AJ 9 PET CG CAP -0.030000 12.0110 0 6969 AJ 9 PET H12 H 0.440000 1.0080 0 6970 AJ 9 PET CD1 CAP -0.115000 12.0110 0 6971 AJ 9 PET HD1 HP 0.115000 1.0080 0 6972 AJ 9 PET CE1 CAP -0.115000 12.0110 0 6973 AJ 9 PET HE1 HP 0.115000 1.0080 0 6974 AJ 9 PET CD2 CAP -0.115000 12.0110 0 6975 AJ 9 PET HD2 HP 0.115000 1.0080 0 6976 AJ 9 PET CE2 CAP -0.115000 12.0110 0 6977 AJ 9 PET HE2 HP 0.115000 1.0080 0 6978 AJ 9 PET CZ CAP 0.100000 12.0110 0 6979 AJ 9 PET C2 CL 0.630000 12.0110 0 6980 AJ 9 PET O21 OBL -0.520000 15.9990 0 6981 AJ 9 PET O22 OSL -0.340000 15.9990 0 6982 AJ 9 PET C4 CTL2 -0.050000 12.0110 0 6983 AJ 9 PET H41 HAL2 0.090000 1.0080 0 6984 AJ 9 PET H42 HAL2 0.090000 1.0080 0 6985 AK 1 PET C2 CD 0.750000 12.0110 0 6986 AK 1 PET O21 OB -0.550000 15.9990 0 6987 AK 1 PET O22 OH1 -0.610000 15.9990 0 6988 AK 1 PET CZ CAP -0.030000 12.0110 0 6989 AK 1 PET H22 H 0.440000 1.0080 0 6990 AK 1 PET CD1 CAP -0.115000 12.0110 0 6991 AK 1 PET HD1 HP 0.115000 1.0080 0 6992 AK 1 PET CE1 CAP -0.115000 12.0110 0 6993 AK 1 PET HE1 HP 0.115000 1.0080 0 6994 AK 1 PET CD2 CAP -0.115000 12.0110 0 6995 AK 1 PET HD2 HP 0.115000 1.0080 0 6996 AK 1 PET CE2 CAP -0.115000 12.0110 0 6997 AK 1 PET HE2 HP 0.115000 1.0080 0 6998 AK 1 PET CG CAP 0.100000 12.0110 0 6999 AK 1 PET C1 CL 0.630000 12.0110 0 7000 AK 1 PET O11 OBL -0.520000 15.9990 0 7001 AK 1 PET O12 OSL -0.340000 15.9990 0 7002 AK 1 PET C3 CTL2 -0.050000 12.0110 0 7003 AK 1 PET H31 HAL2 0.090000 1.0080 0 7004 AK 1 PET H32 HAL2 0.090000 1.0080 0 7005 AK 2 PET CD1 CAP -0.115000 12.0110 0 7006 AK 2 PET HD1 HP 0.115000 1.0080 0 7007 AK 2 PET CE1 CAP -0.115000 12.0110 0 7008 AK 2 PET HE1 HP 0.115000 1.0080 0 7009 AK 2 PET CD2 CAP -0.115000 12.0110 0 7010 AK 2 PET HD2 HP 0.115000 1.0080 0 7011 AK 2 PET CE2 CAP -0.115000 12.0110 0 7012 AK 2 PET HE2 HP 0.115000 1.0080 0 7013 AK 2 PET CG CAP 0.100000 12.0110 0 7014 AK 2 PET C1 CL 0.630000 12.0110 0 7015 AK 2 PET O11 OBL -0.520000 15.9990 0 7016 AK 2 PET O12 OSL -0.340000 15.9990 0 7017 AK 2 PET C3 CTL2 -0.050000 12.0110 0 7018 AK 2 PET H31 HAL2 0.090000 1.0080 0 7019 AK 2 PET H32 HAL2 0.090000 1.0080 0 7020 AK 2 PET CZ CAP 0.100000 12.0110 0 7021 AK 2 PET C2 CL 0.630000 12.0110 0 7022 AK 2 PET O21 OBL -0.520000 15.9990 0 7023 AK 2 PET O22 OSL -0.340000 15.9990 0 7024 AK 2 PET C4 CTL2 -0.050000 12.0110 0 7025 AK 2 PET H41 HAL2 0.090000 1.0080 0 7026 AK 2 PET H42 HAL2 0.090000 1.0080 0 7027 AK 3 PET CD1 CAP -0.115000 12.0110 0 7028 AK 3 PET HD1 HP 0.115000 1.0080 0 7029 AK 3 PET CE1 CAP -0.115000 12.0110 0 7030 AK 3 PET HE1 HP 0.115000 1.0080 0 7031 AK 3 PET CD2 CAP -0.115000 12.0110 0 7032 AK 3 PET HD2 HP 0.115000 1.0080 0 7033 AK 3 PET CE2 CAP -0.115000 12.0110 0 7034 AK 3 PET HE2 HP 0.115000 1.0080 0 7035 AK 3 PET CG CAP 0.100000 12.0110 0 7036 AK 3 PET C1 CL 0.630000 12.0110 0 7037 AK 3 PET O11 OBL -0.520000 15.9990 0 7038 AK 3 PET O12 OSL -0.340000 15.9990 0 7039 AK 3 PET C3 CTL2 -0.050000 12.0110 0 7040 AK 3 PET H31 HAL2 0.090000 1.0080 0 7041 AK 3 PET H32 HAL2 0.090000 1.0080 0 7042 AK 3 PET CZ CAP 0.100000 12.0110 0 7043 AK 3 PET C2 CL 0.630000 12.0110 0 7044 AK 3 PET O21 OBL -0.520000 15.9990 0 7045 AK 3 PET O22 OSL -0.340000 15.9990 0 7046 AK 3 PET C4 CTL2 -0.050000 12.0110 0 7047 AK 3 PET H41 HAL2 0.090000 1.0080 0 7048 AK 3 PET H42 HAL2 0.090000 1.0080 0 7049 AK 4 PET CD1 CAP -0.115000 12.0110 0 7050 AK 4 PET HD1 HP 0.115000 1.0080 0 7051 AK 4 PET CE1 CAP -0.115000 12.0110 0 7052 AK 4 PET HE1 HP 0.115000 1.0080 0 7053 AK 4 PET CD2 CAP -0.115000 12.0110 0 7054 AK 4 PET HD2 HP 0.115000 1.0080 0 7055 AK 4 PET CE2 CAP -0.115000 12.0110 0 7056 AK 4 PET HE2 HP 0.115000 1.0080 0 7057 AK 4 PET CG CAP 0.100000 12.0110 0 7058 AK 4 PET C1 CL 0.630000 12.0110 0 7059 AK 4 PET O11 OBL -0.520000 15.9990 0 7060 AK 4 PET O12 OSL -0.340000 15.9990 0 7061 AK 4 PET C3 CTL2 -0.050000 12.0110 0 7062 AK 4 PET H31 HAL2 0.090000 1.0080 0 7063 AK 4 PET H32 HAL2 0.090000 1.0080 0 7064 AK 4 PET CZ CAP 0.100000 12.0110 0 7065 AK 4 PET C2 CL 0.630000 12.0110 0 7066 AK 4 PET O21 OBL -0.520000 15.9990 0 7067 AK 4 PET O22 OSL -0.340000 15.9990 0 7068 AK 4 PET C4 CTL2 -0.050000 12.0110 0 7069 AK 4 PET H41 HAL2 0.090000 1.0080 0 7070 AK 4 PET H42 HAL2 0.090000 1.0080 0 7071 AK 5 PET CD1 CAP -0.115000 12.0110 0 7072 AK 5 PET HD1 HP 0.115000 1.0080 0 7073 AK 5 PET CE1 CAP -0.115000 12.0110 0 7074 AK 5 PET HE1 HP 0.115000 1.0080 0 7075 AK 5 PET CD2 CAP -0.115000 12.0110 0 7076 AK 5 PET HD2 HP 0.115000 1.0080 0 7077 AK 5 PET CE2 CAP -0.115000 12.0110 0 7078 AK 5 PET HE2 HP 0.115000 1.0080 0 7079 AK 5 PET CG CAP 0.100000 12.0110 0 7080 AK 5 PET C1 CL 0.630000 12.0110 0 7081 AK 5 PET O11 OBL -0.520000 15.9990 0 7082 AK 5 PET O12 OSL -0.340000 15.9990 0 7083 AK 5 PET C3 CTL2 -0.050000 12.0110 0 7084 AK 5 PET H31 HAL2 0.090000 1.0080 0 7085 AK 5 PET H32 HAL2 0.090000 1.0080 0 7086 AK 5 PET CZ CAP 0.100000 12.0110 0 7087 AK 5 PET C2 CL 0.630000 12.0110 0 7088 AK 5 PET O21 OBL -0.520000 15.9990 0 7089 AK 5 PET O22 OSL -0.340000 15.9990 0 7090 AK 5 PET C4 CTL2 -0.050000 12.0110 0 7091 AK 5 PET H41 HAL2 0.090000 1.0080 0 7092 AK 5 PET H42 HAL2 0.090000 1.0080 0 7093 AK 6 PET CD1 CAP -0.115000 12.0110 0 7094 AK 6 PET HD1 HP 0.115000 1.0080 0 7095 AK 6 PET CE1 CAP -0.115000 12.0110 0 7096 AK 6 PET HE1 HP 0.115000 1.0080 0 7097 AK 6 PET CD2 CAP -0.115000 12.0110 0 7098 AK 6 PET HD2 HP 0.115000 1.0080 0 7099 AK 6 PET CE2 CAP -0.115000 12.0110 0 7100 AK 6 PET HE2 HP 0.115000 1.0080 0 7101 AK 6 PET CG CAP 0.100000 12.0110 0 7102 AK 6 PET C1 CL 0.630000 12.0110 0 7103 AK 6 PET O11 OBL -0.520000 15.9990 0 7104 AK 6 PET O12 OSL -0.340000 15.9990 0 7105 AK 6 PET C3 CTL2 -0.050000 12.0110 0 7106 AK 6 PET H31 HAL2 0.090000 1.0080 0 7107 AK 6 PET H32 HAL2 0.090000 1.0080 0 7108 AK 6 PET CZ CAP 0.100000 12.0110 0 7109 AK 6 PET C2 CL 0.630000 12.0110 0 7110 AK 6 PET O21 OBL -0.520000 15.9990 0 7111 AK 6 PET O22 OSL -0.340000 15.9990 0 7112 AK 6 PET C4 CTL2 -0.050000 12.0110 0 7113 AK 6 PET H41 HAL2 0.090000 1.0080 0 7114 AK 6 PET H42 HAL2 0.090000 1.0080 0 7115 AK 7 PET CD1 CAP -0.115000 12.0110 0 7116 AK 7 PET HD1 HP 0.115000 1.0080 0 7117 AK 7 PET CE1 CAP -0.115000 12.0110 0 7118 AK 7 PET HE1 HP 0.115000 1.0080 0 7119 AK 7 PET CD2 CAP -0.115000 12.0110 0 7120 AK 7 PET HD2 HP 0.115000 1.0080 0 7121 AK 7 PET CE2 CAP -0.115000 12.0110 0 7122 AK 7 PET HE2 HP 0.115000 1.0080 0 7123 AK 7 PET CG CAP 0.100000 12.0110 0 7124 AK 7 PET C1 CL 0.630000 12.0110 0 7125 AK 7 PET O11 OBL -0.520000 15.9990 0 7126 AK 7 PET O12 OSL -0.340000 15.9990 0 7127 AK 7 PET C3 CTL2 -0.050000 12.0110 0 7128 AK 7 PET H31 HAL2 0.090000 1.0080 0 7129 AK 7 PET H32 HAL2 0.090000 1.0080 0 7130 AK 7 PET CZ CAP 0.100000 12.0110 0 7131 AK 7 PET C2 CL 0.630000 12.0110 0 7132 AK 7 PET O21 OBL -0.520000 15.9990 0 7133 AK 7 PET O22 OSL -0.340000 15.9990 0 7134 AK 7 PET C4 CTL2 -0.050000 12.0110 0 7135 AK 7 PET H41 HAL2 0.090000 1.0080 0 7136 AK 7 PET H42 HAL2 0.090000 1.0080 0 7137 AK 8 PET CD1 CAP -0.115000 12.0110 0 7138 AK 8 PET HD1 HP 0.115000 1.0080 0 7139 AK 8 PET CE1 CAP -0.115000 12.0110 0 7140 AK 8 PET HE1 HP 0.115000 1.0080 0 7141 AK 8 PET CD2 CAP -0.115000 12.0110 0 7142 AK 8 PET HD2 HP 0.115000 1.0080 0 7143 AK 8 PET CE2 CAP -0.115000 12.0110 0 7144 AK 8 PET HE2 HP 0.115000 1.0080 0 7145 AK 8 PET CG CAP 0.100000 12.0110 0 7146 AK 8 PET C1 CL 0.630000 12.0110 0 7147 AK 8 PET O11 OBL -0.520000 15.9990 0 7148 AK 8 PET O12 OSL -0.340000 15.9990 0 7149 AK 8 PET C3 CTL2 -0.050000 12.0110 0 7150 AK 8 PET H31 HAL2 0.090000 1.0080 0 7151 AK 8 PET H32 HAL2 0.090000 1.0080 0 7152 AK 8 PET CZ CAP 0.100000 12.0110 0 7153 AK 8 PET C2 CL 0.630000 12.0110 0 7154 AK 8 PET O21 OBL -0.520000 15.9990 0 7155 AK 8 PET O22 OSL -0.340000 15.9990 0 7156 AK 8 PET C4 CTL2 -0.050000 12.0110 0 7157 AK 8 PET H41 HAL2 0.090000 1.0080 0 7158 AK 8 PET H42 HAL2 0.090000 1.0080 0 7159 AK 9 PET C1 CD 0.750000 12.0110 0 7160 AK 9 PET O11 OB -0.550000 15.9990 0 7161 AK 9 PET O12 OH1 -0.610000 15.9990 0 7162 AK 9 PET CG CAP -0.030000 12.0110 0 7163 AK 9 PET H12 H 0.440000 1.0080 0 7164 AK 9 PET CD1 CAP -0.115000 12.0110 0 7165 AK 9 PET HD1 HP 0.115000 1.0080 0 7166 AK 9 PET CE1 CAP -0.115000 12.0110 0 7167 AK 9 PET HE1 HP 0.115000 1.0080 0 7168 AK 9 PET CD2 CAP -0.115000 12.0110 0 7169 AK 9 PET HD2 HP 0.115000 1.0080 0 7170 AK 9 PET CE2 CAP -0.115000 12.0110 0 7171 AK 9 PET HE2 HP 0.115000 1.0080 0 7172 AK 9 PET CZ CAP 0.100000 12.0110 0 7173 AK 9 PET C2 CL 0.630000 12.0110 0 7174 AK 9 PET O21 OBL -0.520000 15.9990 0 7175 AK 9 PET O22 OSL -0.340000 15.9990 0 7176 AK 9 PET C4 CTL2 -0.050000 12.0110 0 7177 AK 9 PET H41 HAL2 0.090000 1.0080 0 7178 AK 9 PET H42 HAL2 0.090000 1.0080 0 7179 AL 1 PET C2 CD 0.750000 12.0110 0 7180 AL 1 PET O21 OB -0.550000 15.9990 0 7181 AL 1 PET O22 OH1 -0.610000 15.9990 0 7182 AL 1 PET CZ CAP -0.030000 12.0110 0 7183 AL 1 PET H22 H 0.440000 1.0080 0 7184 AL 1 PET CD1 CAP -0.115000 12.0110 0 7185 AL 1 PET HD1 HP 0.115000 1.0080 0 7186 AL 1 PET CE1 CAP -0.115000 12.0110 0 7187 AL 1 PET HE1 HP 0.115000 1.0080 0 7188 AL 1 PET CD2 CAP -0.115000 12.0110 0 7189 AL 1 PET HD2 HP 0.115000 1.0080 0 7190 AL 1 PET CE2 CAP -0.115000 12.0110 0 7191 AL 1 PET HE2 HP 0.115000 1.0080 0 7192 AL 1 PET CG CAP 0.100000 12.0110 0 7193 AL 1 PET C1 CL 0.630000 12.0110 0 7194 AL 1 PET O11 OBL -0.520000 15.9990 0 7195 AL 1 PET O12 OSL -0.340000 15.9990 0 7196 AL 1 PET C3 CTL2 -0.050000 12.0110 0 7197 AL 1 PET H31 HAL2 0.090000 1.0080 0 7198 AL 1 PET H32 HAL2 0.090000 1.0080 0 7199 AL 2 PET CD1 CAP -0.115000 12.0110 0 7200 AL 2 PET HD1 HP 0.115000 1.0080 0 7201 AL 2 PET CE1 CAP -0.115000 12.0110 0 7202 AL 2 PET HE1 HP 0.115000 1.0080 0 7203 AL 2 PET CD2 CAP -0.115000 12.0110 0 7204 AL 2 PET HD2 HP 0.115000 1.0080 0 7205 AL 2 PET CE2 CAP -0.115000 12.0110 0 7206 AL 2 PET HE2 HP 0.115000 1.0080 0 7207 AL 2 PET CG CAP 0.100000 12.0110 0 7208 AL 2 PET C1 CL 0.630000 12.0110 0 7209 AL 2 PET O11 OBL -0.520000 15.9990 0 7210 AL 2 PET O12 OSL -0.340000 15.9990 0 7211 AL 2 PET C3 CTL2 -0.050000 12.0110 0 7212 AL 2 PET H31 HAL2 0.090000 1.0080 0 7213 AL 2 PET H32 HAL2 0.090000 1.0080 0 7214 AL 2 PET CZ CAP 0.100000 12.0110 0 7215 AL 2 PET C2 CL 0.630000 12.0110 0 7216 AL 2 PET O21 OBL -0.520000 15.9990 0 7217 AL 2 PET O22 OSL -0.340000 15.9990 0 7218 AL 2 PET C4 CTL2 -0.050000 12.0110 0 7219 AL 2 PET H41 HAL2 0.090000 1.0080 0 7220 AL 2 PET H42 HAL2 0.090000 1.0080 0 7221 AL 3 PET CD1 CAP -0.115000 12.0110 0 7222 AL 3 PET HD1 HP 0.115000 1.0080 0 7223 AL 3 PET CE1 CAP -0.115000 12.0110 0 7224 AL 3 PET HE1 HP 0.115000 1.0080 0 7225 AL 3 PET CD2 CAP -0.115000 12.0110 0 7226 AL 3 PET HD2 HP 0.115000 1.0080 0 7227 AL 3 PET CE2 CAP -0.115000 12.0110 0 7228 AL 3 PET HE2 HP 0.115000 1.0080 0 7229 AL 3 PET CG CAP 0.100000 12.0110 0 7230 AL 3 PET C1 CL 0.630000 12.0110 0 7231 AL 3 PET O11 OBL -0.520000 15.9990 0 7232 AL 3 PET O12 OSL -0.340000 15.9990 0 7233 AL 3 PET C3 CTL2 -0.050000 12.0110 0 7234 AL 3 PET H31 HAL2 0.090000 1.0080 0 7235 AL 3 PET H32 HAL2 0.090000 1.0080 0 7236 AL 3 PET CZ CAP 0.100000 12.0110 0 7237 AL 3 PET C2 CL 0.630000 12.0110 0 7238 AL 3 PET O21 OBL -0.520000 15.9990 0 7239 AL 3 PET O22 OSL -0.340000 15.9990 0 7240 AL 3 PET C4 CTL2 -0.050000 12.0110 0 7241 AL 3 PET H41 HAL2 0.090000 1.0080 0 7242 AL 3 PET H42 HAL2 0.090000 1.0080 0 7243 AL 4 PET CD1 CAP -0.115000 12.0110 0 7244 AL 4 PET HD1 HP 0.115000 1.0080 0 7245 AL 4 PET CE1 CAP -0.115000 12.0110 0 7246 AL 4 PET HE1 HP 0.115000 1.0080 0 7247 AL 4 PET CD2 CAP -0.115000 12.0110 0 7248 AL 4 PET HD2 HP 0.115000 1.0080 0 7249 AL 4 PET CE2 CAP -0.115000 12.0110 0 7250 AL 4 PET HE2 HP 0.115000 1.0080 0 7251 AL 4 PET CG CAP 0.100000 12.0110 0 7252 AL 4 PET C1 CL 0.630000 12.0110 0 7253 AL 4 PET O11 OBL -0.520000 15.9990 0 7254 AL 4 PET O12 OSL -0.340000 15.9990 0 7255 AL 4 PET C3 CTL2 -0.050000 12.0110 0 7256 AL 4 PET H31 HAL2 0.090000 1.0080 0 7257 AL 4 PET H32 HAL2 0.090000 1.0080 0 7258 AL 4 PET CZ CAP 0.100000 12.0110 0 7259 AL 4 PET C2 CL 0.630000 12.0110 0 7260 AL 4 PET O21 OBL -0.520000 15.9990 0 7261 AL 4 PET O22 OSL -0.340000 15.9990 0 7262 AL 4 PET C4 CTL2 -0.050000 12.0110 0 7263 AL 4 PET H41 HAL2 0.090000 1.0080 0 7264 AL 4 PET H42 HAL2 0.090000 1.0080 0 7265 AL 5 PET CD1 CAP -0.115000 12.0110 0 7266 AL 5 PET HD1 HP 0.115000 1.0080 0 7267 AL 5 PET CE1 CAP -0.115000 12.0110 0 7268 AL 5 PET HE1 HP 0.115000 1.0080 0 7269 AL 5 PET CD2 CAP -0.115000 12.0110 0 7270 AL 5 PET HD2 HP 0.115000 1.0080 0 7271 AL 5 PET CE2 CAP -0.115000 12.0110 0 7272 AL 5 PET HE2 HP 0.115000 1.0080 0 7273 AL 5 PET CG CAP 0.100000 12.0110 0 7274 AL 5 PET C1 CL 0.630000 12.0110 0 7275 AL 5 PET O11 OBL -0.520000 15.9990 0 7276 AL 5 PET O12 OSL -0.340000 15.9990 0 7277 AL 5 PET C3 CTL2 -0.050000 12.0110 0 7278 AL 5 PET H31 HAL2 0.090000 1.0080 0 7279 AL 5 PET H32 HAL2 0.090000 1.0080 0 7280 AL 5 PET CZ CAP 0.100000 12.0110 0 7281 AL 5 PET C2 CL 0.630000 12.0110 0 7282 AL 5 PET O21 OBL -0.520000 15.9990 0 7283 AL 5 PET O22 OSL -0.340000 15.9990 0 7284 AL 5 PET C4 CTL2 -0.050000 12.0110 0 7285 AL 5 PET H41 HAL2 0.090000 1.0080 0 7286 AL 5 PET H42 HAL2 0.090000 1.0080 0 7287 AL 6 PET CD1 CAP -0.115000 12.0110 0 7288 AL 6 PET HD1 HP 0.115000 1.0080 0 7289 AL 6 PET CE1 CAP -0.115000 12.0110 0 7290 AL 6 PET HE1 HP 0.115000 1.0080 0 7291 AL 6 PET CD2 CAP -0.115000 12.0110 0 7292 AL 6 PET HD2 HP 0.115000 1.0080 0 7293 AL 6 PET CE2 CAP -0.115000 12.0110 0 7294 AL 6 PET HE2 HP 0.115000 1.0080 0 7295 AL 6 PET CG CAP 0.100000 12.0110 0 7296 AL 6 PET C1 CL 0.630000 12.0110 0 7297 AL 6 PET O11 OBL -0.520000 15.9990 0 7298 AL 6 PET O12 OSL -0.340000 15.9990 0 7299 AL 6 PET C3 CTL2 -0.050000 12.0110 0 7300 AL 6 PET H31 HAL2 0.090000 1.0080 0 7301 AL 6 PET H32 HAL2 0.090000 1.0080 0 7302 AL 6 PET CZ CAP 0.100000 12.0110 0 7303 AL 6 PET C2 CL 0.630000 12.0110 0 7304 AL 6 PET O21 OBL -0.520000 15.9990 0 7305 AL 6 PET O22 OSL -0.340000 15.9990 0 7306 AL 6 PET C4 CTL2 -0.050000 12.0110 0 7307 AL 6 PET H41 HAL2 0.090000 1.0080 0 7308 AL 6 PET H42 HAL2 0.090000 1.0080 0 7309 AL 7 PET CD1 CAP -0.115000 12.0110 0 7310 AL 7 PET HD1 HP 0.115000 1.0080 0 7311 AL 7 PET CE1 CAP -0.115000 12.0110 0 7312 AL 7 PET HE1 HP 0.115000 1.0080 0 7313 AL 7 PET CD2 CAP -0.115000 12.0110 0 7314 AL 7 PET HD2 HP 0.115000 1.0080 0 7315 AL 7 PET CE2 CAP -0.115000 12.0110 0 7316 AL 7 PET HE2 HP 0.115000 1.0080 0 7317 AL 7 PET CG CAP 0.100000 12.0110 0 7318 AL 7 PET C1 CL 0.630000 12.0110 0 7319 AL 7 PET O11 OBL -0.520000 15.9990 0 7320 AL 7 PET O12 OSL -0.340000 15.9990 0 7321 AL 7 PET C3 CTL2 -0.050000 12.0110 0 7322 AL 7 PET H31 HAL2 0.090000 1.0080 0 7323 AL 7 PET H32 HAL2 0.090000 1.0080 0 7324 AL 7 PET CZ CAP 0.100000 12.0110 0 7325 AL 7 PET C2 CL 0.630000 12.0110 0 7326 AL 7 PET O21 OBL -0.520000 15.9990 0 7327 AL 7 PET O22 OSL -0.340000 15.9990 0 7328 AL 7 PET C4 CTL2 -0.050000 12.0110 0 7329 AL 7 PET H41 HAL2 0.090000 1.0080 0 7330 AL 7 PET H42 HAL2 0.090000 1.0080 0 7331 AL 8 PET CD1 CAP -0.115000 12.0110 0 7332 AL 8 PET HD1 HP 0.115000 1.0080 0 7333 AL 8 PET CE1 CAP -0.115000 12.0110 0 7334 AL 8 PET HE1 HP 0.115000 1.0080 0 7335 AL 8 PET CD2 CAP -0.115000 12.0110 0 7336 AL 8 PET HD2 HP 0.115000 1.0080 0 7337 AL 8 PET CE2 CAP -0.115000 12.0110 0 7338 AL 8 PET HE2 HP 0.115000 1.0080 0 7339 AL 8 PET CG CAP 0.100000 12.0110 0 7340 AL 8 PET C1 CL 0.630000 12.0110 0 7341 AL 8 PET O11 OBL -0.520000 15.9990 0 7342 AL 8 PET O12 OSL -0.340000 15.9990 0 7343 AL 8 PET C3 CTL2 -0.050000 12.0110 0 7344 AL 8 PET H31 HAL2 0.090000 1.0080 0 7345 AL 8 PET H32 HAL2 0.090000 1.0080 0 7346 AL 8 PET CZ CAP 0.100000 12.0110 0 7347 AL 8 PET C2 CL 0.630000 12.0110 0 7348 AL 8 PET O21 OBL -0.520000 15.9990 0 7349 AL 8 PET O22 OSL -0.340000 15.9990 0 7350 AL 8 PET C4 CTL2 -0.050000 12.0110 0 7351 AL 8 PET H41 HAL2 0.090000 1.0080 0 7352 AL 8 PET H42 HAL2 0.090000 1.0080 0 7353 AL 9 PET C1 CD 0.750000 12.0110 0 7354 AL 9 PET O11 OB -0.550000 15.9990 0 7355 AL 9 PET O12 OH1 -0.610000 15.9990 0 7356 AL 9 PET CG CAP -0.030000 12.0110 0 7357 AL 9 PET H12 H 0.440000 1.0080 0 7358 AL 9 PET CD1 CAP -0.115000 12.0110 0 7359 AL 9 PET HD1 HP 0.115000 1.0080 0 7360 AL 9 PET CE1 CAP -0.115000 12.0110 0 7361 AL 9 PET HE1 HP 0.115000 1.0080 0 7362 AL 9 PET CD2 CAP -0.115000 12.0110 0 7363 AL 9 PET HD2 HP 0.115000 1.0080 0 7364 AL 9 PET CE2 CAP -0.115000 12.0110 0 7365 AL 9 PET HE2 HP 0.115000 1.0080 0 7366 AL 9 PET CZ CAP 0.100000 12.0110 0 7367 AL 9 PET C2 CL 0.630000 12.0110 0 7368 AL 9 PET O21 OBL -0.520000 15.9990 0 7369 AL 9 PET O22 OSL -0.340000 15.9990 0 7370 AL 9 PET C4 CTL2 -0.050000 12.0110 0 7371 AL 9 PET H41 HAL2 0.090000 1.0080 0 7372 AL 9 PET H42 HAL2 0.090000 1.0080 0 7373 AM 1 PET C2 CD 0.750000 12.0110 0 7374 AM 1 PET O21 OB -0.550000 15.9990 0 7375 AM 1 PET O22 OH1 -0.610000 15.9990 0 7376 AM 1 PET CZ CAP -0.030000 12.0110 0 7377 AM 1 PET H22 H 0.440000 1.0080 0 7378 AM 1 PET CD1 CAP -0.115000 12.0110 0 7379 AM 1 PET HD1 HP 0.115000 1.0080 0 7380 AM 1 PET CE1 CAP -0.115000 12.0110 0 7381 AM 1 PET HE1 HP 0.115000 1.0080 0 7382 AM 1 PET CD2 CAP -0.115000 12.0110 0 7383 AM 1 PET HD2 HP 0.115000 1.0080 0 7384 AM 1 PET CE2 CAP -0.115000 12.0110 0 7385 AM 1 PET HE2 HP 0.115000 1.0080 0 7386 AM 1 PET CG CAP 0.100000 12.0110 0 7387 AM 1 PET C1 CL 0.630000 12.0110 0 7388 AM 1 PET O11 OBL -0.520000 15.9990 0 7389 AM 1 PET O12 OSL -0.340000 15.9990 0 7390 AM 1 PET C3 CTL2 -0.050000 12.0110 0 7391 AM 1 PET H31 HAL2 0.090000 1.0080 0 7392 AM 1 PET H32 HAL2 0.090000 1.0080 0 7393 AM 2 PET CD1 CAP -0.115000 12.0110 0 7394 AM 2 PET HD1 HP 0.115000 1.0080 0 7395 AM 2 PET CE1 CAP -0.115000 12.0110 0 7396 AM 2 PET HE1 HP 0.115000 1.0080 0 7397 AM 2 PET CD2 CAP -0.115000 12.0110 0 7398 AM 2 PET HD2 HP 0.115000 1.0080 0 7399 AM 2 PET CE2 CAP -0.115000 12.0110 0 7400 AM 2 PET HE2 HP 0.115000 1.0080 0 7401 AM 2 PET CG CAP 0.100000 12.0110 0 7402 AM 2 PET C1 CL 0.630000 12.0110 0 7403 AM 2 PET O11 OBL -0.520000 15.9990 0 7404 AM 2 PET O12 OSL -0.340000 15.9990 0 7405 AM 2 PET C3 CTL2 -0.050000 12.0110 0 7406 AM 2 PET H31 HAL2 0.090000 1.0080 0 7407 AM 2 PET H32 HAL2 0.090000 1.0080 0 7408 AM 2 PET CZ CAP 0.100000 12.0110 0 7409 AM 2 PET C2 CL 0.630000 12.0110 0 7410 AM 2 PET O21 OBL -0.520000 15.9990 0 7411 AM 2 PET O22 OSL -0.340000 15.9990 0 7412 AM 2 PET C4 CTL2 -0.050000 12.0110 0 7413 AM 2 PET H41 HAL2 0.090000 1.0080 0 7414 AM 2 PET H42 HAL2 0.090000 1.0080 0 7415 AM 3 PET CD1 CAP -0.115000 12.0110 0 7416 AM 3 PET HD1 HP 0.115000 1.0080 0 7417 AM 3 PET CE1 CAP -0.115000 12.0110 0 7418 AM 3 PET HE1 HP 0.115000 1.0080 0 7419 AM 3 PET CD2 CAP -0.115000 12.0110 0 7420 AM 3 PET HD2 HP 0.115000 1.0080 0 7421 AM 3 PET CE2 CAP -0.115000 12.0110 0 7422 AM 3 PET HE2 HP 0.115000 1.0080 0 7423 AM 3 PET CG CAP 0.100000 12.0110 0 7424 AM 3 PET C1 CL 0.630000 12.0110 0 7425 AM 3 PET O11 OBL -0.520000 15.9990 0 7426 AM 3 PET O12 OSL -0.340000 15.9990 0 7427 AM 3 PET C3 CTL2 -0.050000 12.0110 0 7428 AM 3 PET H31 HAL2 0.090000 1.0080 0 7429 AM 3 PET H32 HAL2 0.090000 1.0080 0 7430 AM 3 PET CZ CAP 0.100000 12.0110 0 7431 AM 3 PET C2 CL 0.630000 12.0110 0 7432 AM 3 PET O21 OBL -0.520000 15.9990 0 7433 AM 3 PET O22 OSL -0.340000 15.9990 0 7434 AM 3 PET C4 CTL2 -0.050000 12.0110 0 7435 AM 3 PET H41 HAL2 0.090000 1.0080 0 7436 AM 3 PET H42 HAL2 0.090000 1.0080 0 7437 AM 4 PET CD1 CAP -0.115000 12.0110 0 7438 AM 4 PET HD1 HP 0.115000 1.0080 0 7439 AM 4 PET CE1 CAP -0.115000 12.0110 0 7440 AM 4 PET HE1 HP 0.115000 1.0080 0 7441 AM 4 PET CD2 CAP -0.115000 12.0110 0 7442 AM 4 PET HD2 HP 0.115000 1.0080 0 7443 AM 4 PET CE2 CAP -0.115000 12.0110 0 7444 AM 4 PET HE2 HP 0.115000 1.0080 0 7445 AM 4 PET CG CAP 0.100000 12.0110 0 7446 AM 4 PET C1 CL 0.630000 12.0110 0 7447 AM 4 PET O11 OBL -0.520000 15.9990 0 7448 AM 4 PET O12 OSL -0.340000 15.9990 0 7449 AM 4 PET C3 CTL2 -0.050000 12.0110 0 7450 AM 4 PET H31 HAL2 0.090000 1.0080 0 7451 AM 4 PET H32 HAL2 0.090000 1.0080 0 7452 AM 4 PET CZ CAP 0.100000 12.0110 0 7453 AM 4 PET C2 CL 0.630000 12.0110 0 7454 AM 4 PET O21 OBL -0.520000 15.9990 0 7455 AM 4 PET O22 OSL -0.340000 15.9990 0 7456 AM 4 PET C4 CTL2 -0.050000 12.0110 0 7457 AM 4 PET H41 HAL2 0.090000 1.0080 0 7458 AM 4 PET H42 HAL2 0.090000 1.0080 0 7459 AM 5 PET CD1 CAP -0.115000 12.0110 0 7460 AM 5 PET HD1 HP 0.115000 1.0080 0 7461 AM 5 PET CE1 CAP -0.115000 12.0110 0 7462 AM 5 PET HE1 HP 0.115000 1.0080 0 7463 AM 5 PET CD2 CAP -0.115000 12.0110 0 7464 AM 5 PET HD2 HP 0.115000 1.0080 0 7465 AM 5 PET CE2 CAP -0.115000 12.0110 0 7466 AM 5 PET HE2 HP 0.115000 1.0080 0 7467 AM 5 PET CG CAP 0.100000 12.0110 0 7468 AM 5 PET C1 CL 0.630000 12.0110 0 7469 AM 5 PET O11 OBL -0.520000 15.9990 0 7470 AM 5 PET O12 OSL -0.340000 15.9990 0 7471 AM 5 PET C3 CTL2 -0.050000 12.0110 0 7472 AM 5 PET H31 HAL2 0.090000 1.0080 0 7473 AM 5 PET H32 HAL2 0.090000 1.0080 0 7474 AM 5 PET CZ CAP 0.100000 12.0110 0 7475 AM 5 PET C2 CL 0.630000 12.0110 0 7476 AM 5 PET O21 OBL -0.520000 15.9990 0 7477 AM 5 PET O22 OSL -0.340000 15.9990 0 7478 AM 5 PET C4 CTL2 -0.050000 12.0110 0 7479 AM 5 PET H41 HAL2 0.090000 1.0080 0 7480 AM 5 PET H42 HAL2 0.090000 1.0080 0 7481 AM 6 PET CD1 CAP -0.115000 12.0110 0 7482 AM 6 PET HD1 HP 0.115000 1.0080 0 7483 AM 6 PET CE1 CAP -0.115000 12.0110 0 7484 AM 6 PET HE1 HP 0.115000 1.0080 0 7485 AM 6 PET CD2 CAP -0.115000 12.0110 0 7486 AM 6 PET HD2 HP 0.115000 1.0080 0 7487 AM 6 PET CE2 CAP -0.115000 12.0110 0 7488 AM 6 PET HE2 HP 0.115000 1.0080 0 7489 AM 6 PET CG CAP 0.100000 12.0110 0 7490 AM 6 PET C1 CL 0.630000 12.0110 0 7491 AM 6 PET O11 OBL -0.520000 15.9990 0 7492 AM 6 PET O12 OSL -0.340000 15.9990 0 7493 AM 6 PET C3 CTL2 -0.050000 12.0110 0 7494 AM 6 PET H31 HAL2 0.090000 1.0080 0 7495 AM 6 PET H32 HAL2 0.090000 1.0080 0 7496 AM 6 PET CZ CAP 0.100000 12.0110 0 7497 AM 6 PET C2 CL 0.630000 12.0110 0 7498 AM 6 PET O21 OBL -0.520000 15.9990 0 7499 AM 6 PET O22 OSL -0.340000 15.9990 0 7500 AM 6 PET C4 CTL2 -0.050000 12.0110 0 7501 AM 6 PET H41 HAL2 0.090000 1.0080 0 7502 AM 6 PET H42 HAL2 0.090000 1.0080 0 7503 AM 7 PET CD1 CAP -0.115000 12.0110 0 7504 AM 7 PET HD1 HP 0.115000 1.0080 0 7505 AM 7 PET CE1 CAP -0.115000 12.0110 0 7506 AM 7 PET HE1 HP 0.115000 1.0080 0 7507 AM 7 PET CD2 CAP -0.115000 12.0110 0 7508 AM 7 PET HD2 HP 0.115000 1.0080 0 7509 AM 7 PET CE2 CAP -0.115000 12.0110 0 7510 AM 7 PET HE2 HP 0.115000 1.0080 0 7511 AM 7 PET CG CAP 0.100000 12.0110 0 7512 AM 7 PET C1 CL 0.630000 12.0110 0 7513 AM 7 PET O11 OBL -0.520000 15.9990 0 7514 AM 7 PET O12 OSL -0.340000 15.9990 0 7515 AM 7 PET C3 CTL2 -0.050000 12.0110 0 7516 AM 7 PET H31 HAL2 0.090000 1.0080 0 7517 AM 7 PET H32 HAL2 0.090000 1.0080 0 7518 AM 7 PET CZ CAP 0.100000 12.0110 0 7519 AM 7 PET C2 CL 0.630000 12.0110 0 7520 AM 7 PET O21 OBL -0.520000 15.9990 0 7521 AM 7 PET O22 OSL -0.340000 15.9990 0 7522 AM 7 PET C4 CTL2 -0.050000 12.0110 0 7523 AM 7 PET H41 HAL2 0.090000 1.0080 0 7524 AM 7 PET H42 HAL2 0.090000 1.0080 0 7525 AM 8 PET CD1 CAP -0.115000 12.0110 0 7526 AM 8 PET HD1 HP 0.115000 1.0080 0 7527 AM 8 PET CE1 CAP -0.115000 12.0110 0 7528 AM 8 PET HE1 HP 0.115000 1.0080 0 7529 AM 8 PET CD2 CAP -0.115000 12.0110 0 7530 AM 8 PET HD2 HP 0.115000 1.0080 0 7531 AM 8 PET CE2 CAP -0.115000 12.0110 0 7532 AM 8 PET HE2 HP 0.115000 1.0080 0 7533 AM 8 PET CG CAP 0.100000 12.0110 0 7534 AM 8 PET C1 CL 0.630000 12.0110 0 7535 AM 8 PET O11 OBL -0.520000 15.9990 0 7536 AM 8 PET O12 OSL -0.340000 15.9990 0 7537 AM 8 PET C3 CTL2 -0.050000 12.0110 0 7538 AM 8 PET H31 HAL2 0.090000 1.0080 0 7539 AM 8 PET H32 HAL2 0.090000 1.0080 0 7540 AM 8 PET CZ CAP 0.100000 12.0110 0 7541 AM 8 PET C2 CL 0.630000 12.0110 0 7542 AM 8 PET O21 OBL -0.520000 15.9990 0 7543 AM 8 PET O22 OSL -0.340000 15.9990 0 7544 AM 8 PET C4 CTL2 -0.050000 12.0110 0 7545 AM 8 PET H41 HAL2 0.090000 1.0080 0 7546 AM 8 PET H42 HAL2 0.090000 1.0080 0 7547 AM 9 PET C1 CD 0.750000 12.0110 0 7548 AM 9 PET O11 OB -0.550000 15.9990 0 7549 AM 9 PET O12 OH1 -0.610000 15.9990 0 7550 AM 9 PET CG CAP -0.030000 12.0110 0 7551 AM 9 PET H12 H 0.440000 1.0080 0 7552 AM 9 PET CD1 CAP -0.115000 12.0110 0 7553 AM 9 PET HD1 HP 0.115000 1.0080 0 7554 AM 9 PET CE1 CAP -0.115000 12.0110 0 7555 AM 9 PET HE1 HP 0.115000 1.0080 0 7556 AM 9 PET CD2 CAP -0.115000 12.0110 0 7557 AM 9 PET HD2 HP 0.115000 1.0080 0 7558 AM 9 PET CE2 CAP -0.115000 12.0110 0 7559 AM 9 PET HE2 HP 0.115000 1.0080 0 7560 AM 9 PET CZ CAP 0.100000 12.0110 0 7561 AM 9 PET C2 CL 0.630000 12.0110 0 7562 AM 9 PET O21 OBL -0.520000 15.9990 0 7563 AM 9 PET O22 OSL -0.340000 15.9990 0 7564 AM 9 PET C4 CTL2 -0.050000 12.0110 0 7565 AM 9 PET H41 HAL2 0.090000 1.0080 0 7566 AM 9 PET H42 HAL2 0.090000 1.0080 0 7567 AN 1 PET C2 CD 0.750000 12.0110 0 7568 AN 1 PET O21 OB -0.550000 15.9990 0 7569 AN 1 PET O22 OH1 -0.610000 15.9990 0 7570 AN 1 PET CZ CAP -0.030000 12.0110 0 7571 AN 1 PET H22 H 0.440000 1.0080 0 7572 AN 1 PET CD1 CAP -0.115000 12.0110 0 7573 AN 1 PET HD1 HP 0.115000 1.0080 0 7574 AN 1 PET CE1 CAP -0.115000 12.0110 0 7575 AN 1 PET HE1 HP 0.115000 1.0080 0 7576 AN 1 PET CD2 CAP -0.115000 12.0110 0 7577 AN 1 PET HD2 HP 0.115000 1.0080 0 7578 AN 1 PET CE2 CAP -0.115000 12.0110 0 7579 AN 1 PET HE2 HP 0.115000 1.0080 0 7580 AN 1 PET CG CAP 0.100000 12.0110 0 7581 AN 1 PET C1 CL 0.630000 12.0110 0 7582 AN 1 PET O11 OBL -0.520000 15.9990 0 7583 AN 1 PET O12 OSL -0.340000 15.9990 0 7584 AN 1 PET C3 CTL2 -0.050000 12.0110 0 7585 AN 1 PET H31 HAL2 0.090000 1.0080 0 7586 AN 1 PET H32 HAL2 0.090000 1.0080 0 7587 AN 2 PET CD1 CAP -0.115000 12.0110 0 7588 AN 2 PET HD1 HP 0.115000 1.0080 0 7589 AN 2 PET CE1 CAP -0.115000 12.0110 0 7590 AN 2 PET HE1 HP 0.115000 1.0080 0 7591 AN 2 PET CD2 CAP -0.115000 12.0110 0 7592 AN 2 PET HD2 HP 0.115000 1.0080 0 7593 AN 2 PET CE2 CAP -0.115000 12.0110 0 7594 AN 2 PET HE2 HP 0.115000 1.0080 0 7595 AN 2 PET CG CAP 0.100000 12.0110 0 7596 AN 2 PET C1 CL 0.630000 12.0110 0 7597 AN 2 PET O11 OBL -0.520000 15.9990 0 7598 AN 2 PET O12 OSL -0.340000 15.9990 0 7599 AN 2 PET C3 CTL2 -0.050000 12.0110 0 7600 AN 2 PET H31 HAL2 0.090000 1.0080 0 7601 AN 2 PET H32 HAL2 0.090000 1.0080 0 7602 AN 2 PET CZ CAP 0.100000 12.0110 0 7603 AN 2 PET C2 CL 0.630000 12.0110 0 7604 AN 2 PET O21 OBL -0.520000 15.9990 0 7605 AN 2 PET O22 OSL -0.340000 15.9990 0 7606 AN 2 PET C4 CTL2 -0.050000 12.0110 0 7607 AN 2 PET H41 HAL2 0.090000 1.0080 0 7608 AN 2 PET H42 HAL2 0.090000 1.0080 0 7609 AN 3 PET CD1 CAP -0.115000 12.0110 0 7610 AN 3 PET HD1 HP 0.115000 1.0080 0 7611 AN 3 PET CE1 CAP -0.115000 12.0110 0 7612 AN 3 PET HE1 HP 0.115000 1.0080 0 7613 AN 3 PET CD2 CAP -0.115000 12.0110 0 7614 AN 3 PET HD2 HP 0.115000 1.0080 0 7615 AN 3 PET CE2 CAP -0.115000 12.0110 0 7616 AN 3 PET HE2 HP 0.115000 1.0080 0 7617 AN 3 PET CG CAP 0.100000 12.0110 0 7618 AN 3 PET C1 CL 0.630000 12.0110 0 7619 AN 3 PET O11 OBL -0.520000 15.9990 0 7620 AN 3 PET O12 OSL -0.340000 15.9990 0 7621 AN 3 PET C3 CTL2 -0.050000 12.0110 0 7622 AN 3 PET H31 HAL2 0.090000 1.0080 0 7623 AN 3 PET H32 HAL2 0.090000 1.0080 0 7624 AN 3 PET CZ CAP 0.100000 12.0110 0 7625 AN 3 PET C2 CL 0.630000 12.0110 0 7626 AN 3 PET O21 OBL -0.520000 15.9990 0 7627 AN 3 PET O22 OSL -0.340000 15.9990 0 7628 AN 3 PET C4 CTL2 -0.050000 12.0110 0 7629 AN 3 PET H41 HAL2 0.090000 1.0080 0 7630 AN 3 PET H42 HAL2 0.090000 1.0080 0 7631 AN 4 PET CD1 CAP -0.115000 12.0110 0 7632 AN 4 PET HD1 HP 0.115000 1.0080 0 7633 AN 4 PET CE1 CAP -0.115000 12.0110 0 7634 AN 4 PET HE1 HP 0.115000 1.0080 0 7635 AN 4 PET CD2 CAP -0.115000 12.0110 0 7636 AN 4 PET HD2 HP 0.115000 1.0080 0 7637 AN 4 PET CE2 CAP -0.115000 12.0110 0 7638 AN 4 PET HE2 HP 0.115000 1.0080 0 7639 AN 4 PET CG CAP 0.100000 12.0110 0 7640 AN 4 PET C1 CL 0.630000 12.0110 0 7641 AN 4 PET O11 OBL -0.520000 15.9990 0 7642 AN 4 PET O12 OSL -0.340000 15.9990 0 7643 AN 4 PET C3 CTL2 -0.050000 12.0110 0 7644 AN 4 PET H31 HAL2 0.090000 1.0080 0 7645 AN 4 PET H32 HAL2 0.090000 1.0080 0 7646 AN 4 PET CZ CAP 0.100000 12.0110 0 7647 AN 4 PET C2 CL 0.630000 12.0110 0 7648 AN 4 PET O21 OBL -0.520000 15.9990 0 7649 AN 4 PET O22 OSL -0.340000 15.9990 0 7650 AN 4 PET C4 CTL2 -0.050000 12.0110 0 7651 AN 4 PET H41 HAL2 0.090000 1.0080 0 7652 AN 4 PET H42 HAL2 0.090000 1.0080 0 7653 AN 5 PET CD1 CAP -0.115000 12.0110 0 7654 AN 5 PET HD1 HP 0.115000 1.0080 0 7655 AN 5 PET CE1 CAP -0.115000 12.0110 0 7656 AN 5 PET HE1 HP 0.115000 1.0080 0 7657 AN 5 PET CD2 CAP -0.115000 12.0110 0 7658 AN 5 PET HD2 HP 0.115000 1.0080 0 7659 AN 5 PET CE2 CAP -0.115000 12.0110 0 7660 AN 5 PET HE2 HP 0.115000 1.0080 0 7661 AN 5 PET CG CAP 0.100000 12.0110 0 7662 AN 5 PET C1 CL 0.630000 12.0110 0 7663 AN 5 PET O11 OBL -0.520000 15.9990 0 7664 AN 5 PET O12 OSL -0.340000 15.9990 0 7665 AN 5 PET C3 CTL2 -0.050000 12.0110 0 7666 AN 5 PET H31 HAL2 0.090000 1.0080 0 7667 AN 5 PET H32 HAL2 0.090000 1.0080 0 7668 AN 5 PET CZ CAP 0.100000 12.0110 0 7669 AN 5 PET C2 CL 0.630000 12.0110 0 7670 AN 5 PET O21 OBL -0.520000 15.9990 0 7671 AN 5 PET O22 OSL -0.340000 15.9990 0 7672 AN 5 PET C4 CTL2 -0.050000 12.0110 0 7673 AN 5 PET H41 HAL2 0.090000 1.0080 0 7674 AN 5 PET H42 HAL2 0.090000 1.0080 0 7675 AN 6 PET CD1 CAP -0.115000 12.0110 0 7676 AN 6 PET HD1 HP 0.115000 1.0080 0 7677 AN 6 PET CE1 CAP -0.115000 12.0110 0 7678 AN 6 PET HE1 HP 0.115000 1.0080 0 7679 AN 6 PET CD2 CAP -0.115000 12.0110 0 7680 AN 6 PET HD2 HP 0.115000 1.0080 0 7681 AN 6 PET CE2 CAP -0.115000 12.0110 0 7682 AN 6 PET HE2 HP 0.115000 1.0080 0 7683 AN 6 PET CG CAP 0.100000 12.0110 0 7684 AN 6 PET C1 CL 0.630000 12.0110 0 7685 AN 6 PET O11 OBL -0.520000 15.9990 0 7686 AN 6 PET O12 OSL -0.340000 15.9990 0 7687 AN 6 PET C3 CTL2 -0.050000 12.0110 0 7688 AN 6 PET H31 HAL2 0.090000 1.0080 0 7689 AN 6 PET H32 HAL2 0.090000 1.0080 0 7690 AN 6 PET CZ CAP 0.100000 12.0110 0 7691 AN 6 PET C2 CL 0.630000 12.0110 0 7692 AN 6 PET O21 OBL -0.520000 15.9990 0 7693 AN 6 PET O22 OSL -0.340000 15.9990 0 7694 AN 6 PET C4 CTL2 -0.050000 12.0110 0 7695 AN 6 PET H41 HAL2 0.090000 1.0080 0 7696 AN 6 PET H42 HAL2 0.090000 1.0080 0 7697 AN 7 PET CD1 CAP -0.115000 12.0110 0 7698 AN 7 PET HD1 HP 0.115000 1.0080 0 7699 AN 7 PET CE1 CAP -0.115000 12.0110 0 7700 AN 7 PET HE1 HP 0.115000 1.0080 0 7701 AN 7 PET CD2 CAP -0.115000 12.0110 0 7702 AN 7 PET HD2 HP 0.115000 1.0080 0 7703 AN 7 PET CE2 CAP -0.115000 12.0110 0 7704 AN 7 PET HE2 HP 0.115000 1.0080 0 7705 AN 7 PET CG CAP 0.100000 12.0110 0 7706 AN 7 PET C1 CL 0.630000 12.0110 0 7707 AN 7 PET O11 OBL -0.520000 15.9990 0 7708 AN 7 PET O12 OSL -0.340000 15.9990 0 7709 AN 7 PET C3 CTL2 -0.050000 12.0110 0 7710 AN 7 PET H31 HAL2 0.090000 1.0080 0 7711 AN 7 PET H32 HAL2 0.090000 1.0080 0 7712 AN 7 PET CZ CAP 0.100000 12.0110 0 7713 AN 7 PET C2 CL 0.630000 12.0110 0 7714 AN 7 PET O21 OBL -0.520000 15.9990 0 7715 AN 7 PET O22 OSL -0.340000 15.9990 0 7716 AN 7 PET C4 CTL2 -0.050000 12.0110 0 7717 AN 7 PET H41 HAL2 0.090000 1.0080 0 7718 AN 7 PET H42 HAL2 0.090000 1.0080 0 7719 AN 8 PET CD1 CAP -0.115000 12.0110 0 7720 AN 8 PET HD1 HP 0.115000 1.0080 0 7721 AN 8 PET CE1 CAP -0.115000 12.0110 0 7722 AN 8 PET HE1 HP 0.115000 1.0080 0 7723 AN 8 PET CD2 CAP -0.115000 12.0110 0 7724 AN 8 PET HD2 HP 0.115000 1.0080 0 7725 AN 8 PET CE2 CAP -0.115000 12.0110 0 7726 AN 8 PET HE2 HP 0.115000 1.0080 0 7727 AN 8 PET CG CAP 0.100000 12.0110 0 7728 AN 8 PET C1 CL 0.630000 12.0110 0 7729 AN 8 PET O11 OBL -0.520000 15.9990 0 7730 AN 8 PET O12 OSL -0.340000 15.9990 0 7731 AN 8 PET C3 CTL2 -0.050000 12.0110 0 7732 AN 8 PET H31 HAL2 0.090000 1.0080 0 7733 AN 8 PET H32 HAL2 0.090000 1.0080 0 7734 AN 8 PET CZ CAP 0.100000 12.0110 0 7735 AN 8 PET C2 CL 0.630000 12.0110 0 7736 AN 8 PET O21 OBL -0.520000 15.9990 0 7737 AN 8 PET O22 OSL -0.340000 15.9990 0 7738 AN 8 PET C4 CTL2 -0.050000 12.0110 0 7739 AN 8 PET H41 HAL2 0.090000 1.0080 0 7740 AN 8 PET H42 HAL2 0.090000 1.0080 0 7741 AN 9 PET C1 CD 0.750000 12.0110 0 7742 AN 9 PET O11 OB -0.550000 15.9990 0 7743 AN 9 PET O12 OH1 -0.610000 15.9990 0 7744 AN 9 PET CG CAP -0.030000 12.0110 0 7745 AN 9 PET H12 H 0.440000 1.0080 0 7746 AN 9 PET CD1 CAP -0.115000 12.0110 0 7747 AN 9 PET HD1 HP 0.115000 1.0080 0 7748 AN 9 PET CE1 CAP -0.115000 12.0110 0 7749 AN 9 PET HE1 HP 0.115000 1.0080 0 7750 AN 9 PET CD2 CAP -0.115000 12.0110 0 7751 AN 9 PET HD2 HP 0.115000 1.0080 0 7752 AN 9 PET CE2 CAP -0.115000 12.0110 0 7753 AN 9 PET HE2 HP 0.115000 1.0080 0 7754 AN 9 PET CZ CAP 0.100000 12.0110 0 7755 AN 9 PET C2 CL 0.630000 12.0110 0 7756 AN 9 PET O21 OBL -0.520000 15.9990 0 7757 AN 9 PET O22 OSL -0.340000 15.9990 0 7758 AN 9 PET C4 CTL2 -0.050000 12.0110 0 7759 AN 9 PET H41 HAL2 0.090000 1.0080 0 7760 AN 9 PET H42 HAL2 0.090000 1.0080 0 7761 AO 1 PET C2 CD 0.750000 12.0110 0 7762 AO 1 PET O21 OB -0.550000 15.9990 0 7763 AO 1 PET O22 OH1 -0.610000 15.9990 0 7764 AO 1 PET CZ CAP -0.030000 12.0110 0 7765 AO 1 PET H22 H 0.440000 1.0080 0 7766 AO 1 PET CD1 CAP -0.115000 12.0110 0 7767 AO 1 PET HD1 HP 0.115000 1.0080 0 7768 AO 1 PET CE1 CAP -0.115000 12.0110 0 7769 AO 1 PET HE1 HP 0.115000 1.0080 0 7770 AO 1 PET CD2 CAP -0.115000 12.0110 0 7771 AO 1 PET HD2 HP 0.115000 1.0080 0 7772 AO 1 PET CE2 CAP -0.115000 12.0110 0 7773 AO 1 PET HE2 HP 0.115000 1.0080 0 7774 AO 1 PET CG CAP 0.100000 12.0110 0 7775 AO 1 PET C1 CL 0.630000 12.0110 0 7776 AO 1 PET O11 OBL -0.520000 15.9990 0 7777 AO 1 PET O12 OSL -0.340000 15.9990 0 7778 AO 1 PET C3 CTL2 -0.050000 12.0110 0 7779 AO 1 PET H31 HAL2 0.090000 1.0080 0 7780 AO 1 PET H32 HAL2 0.090000 1.0080 0 7781 AO 2 PET CD1 CAP -0.115000 12.0110 0 7782 AO 2 PET HD1 HP 0.115000 1.0080 0 7783 AO 2 PET CE1 CAP -0.115000 12.0110 0 7784 AO 2 PET HE1 HP 0.115000 1.0080 0 7785 AO 2 PET CD2 CAP -0.115000 12.0110 0 7786 AO 2 PET HD2 HP 0.115000 1.0080 0 7787 AO 2 PET CE2 CAP -0.115000 12.0110 0 7788 AO 2 PET HE2 HP 0.115000 1.0080 0 7789 AO 2 PET CG CAP 0.100000 12.0110 0 7790 AO 2 PET C1 CL 0.630000 12.0110 0 7791 AO 2 PET O11 OBL -0.520000 15.9990 0 7792 AO 2 PET O12 OSL -0.340000 15.9990 0 7793 AO 2 PET C3 CTL2 -0.050000 12.0110 0 7794 AO 2 PET H31 HAL2 0.090000 1.0080 0 7795 AO 2 PET H32 HAL2 0.090000 1.0080 0 7796 AO 2 PET CZ CAP 0.100000 12.0110 0 7797 AO 2 PET C2 CL 0.630000 12.0110 0 7798 AO 2 PET O21 OBL -0.520000 15.9990 0 7799 AO 2 PET O22 OSL -0.340000 15.9990 0 7800 AO 2 PET C4 CTL2 -0.050000 12.0110 0 7801 AO 2 PET H41 HAL2 0.090000 1.0080 0 7802 AO 2 PET H42 HAL2 0.090000 1.0080 0 7803 AO 3 PET CD1 CAP -0.115000 12.0110 0 7804 AO 3 PET HD1 HP 0.115000 1.0080 0 7805 AO 3 PET CE1 CAP -0.115000 12.0110 0 7806 AO 3 PET HE1 HP 0.115000 1.0080 0 7807 AO 3 PET CD2 CAP -0.115000 12.0110 0 7808 AO 3 PET HD2 HP 0.115000 1.0080 0 7809 AO 3 PET CE2 CAP -0.115000 12.0110 0 7810 AO 3 PET HE2 HP 0.115000 1.0080 0 7811 AO 3 PET CG CAP 0.100000 12.0110 0 7812 AO 3 PET C1 CL 0.630000 12.0110 0 7813 AO 3 PET O11 OBL -0.520000 15.9990 0 7814 AO 3 PET O12 OSL -0.340000 15.9990 0 7815 AO 3 PET C3 CTL2 -0.050000 12.0110 0 7816 AO 3 PET H31 HAL2 0.090000 1.0080 0 7817 AO 3 PET H32 HAL2 0.090000 1.0080 0 7818 AO 3 PET CZ CAP 0.100000 12.0110 0 7819 AO 3 PET C2 CL 0.630000 12.0110 0 7820 AO 3 PET O21 OBL -0.520000 15.9990 0 7821 AO 3 PET O22 OSL -0.340000 15.9990 0 7822 AO 3 PET C4 CTL2 -0.050000 12.0110 0 7823 AO 3 PET H41 HAL2 0.090000 1.0080 0 7824 AO 3 PET H42 HAL2 0.090000 1.0080 0 7825 AO 4 PET CD1 CAP -0.115000 12.0110 0 7826 AO 4 PET HD1 HP 0.115000 1.0080 0 7827 AO 4 PET CE1 CAP -0.115000 12.0110 0 7828 AO 4 PET HE1 HP 0.115000 1.0080 0 7829 AO 4 PET CD2 CAP -0.115000 12.0110 0 7830 AO 4 PET HD2 HP 0.115000 1.0080 0 7831 AO 4 PET CE2 CAP -0.115000 12.0110 0 7832 AO 4 PET HE2 HP 0.115000 1.0080 0 7833 AO 4 PET CG CAP 0.100000 12.0110 0 7834 AO 4 PET C1 CL 0.630000 12.0110 0 7835 AO 4 PET O11 OBL -0.520000 15.9990 0 7836 AO 4 PET O12 OSL -0.340000 15.9990 0 7837 AO 4 PET C3 CTL2 -0.050000 12.0110 0 7838 AO 4 PET H31 HAL2 0.090000 1.0080 0 7839 AO 4 PET H32 HAL2 0.090000 1.0080 0 7840 AO 4 PET CZ CAP 0.100000 12.0110 0 7841 AO 4 PET C2 CL 0.630000 12.0110 0 7842 AO 4 PET O21 OBL -0.520000 15.9990 0 7843 AO 4 PET O22 OSL -0.340000 15.9990 0 7844 AO 4 PET C4 CTL2 -0.050000 12.0110 0 7845 AO 4 PET H41 HAL2 0.090000 1.0080 0 7846 AO 4 PET H42 HAL2 0.090000 1.0080 0 7847 AO 5 PET CD1 CAP -0.115000 12.0110 0 7848 AO 5 PET HD1 HP 0.115000 1.0080 0 7849 AO 5 PET CE1 CAP -0.115000 12.0110 0 7850 AO 5 PET HE1 HP 0.115000 1.0080 0 7851 AO 5 PET CD2 CAP -0.115000 12.0110 0 7852 AO 5 PET HD2 HP 0.115000 1.0080 0 7853 AO 5 PET CE2 CAP -0.115000 12.0110 0 7854 AO 5 PET HE2 HP 0.115000 1.0080 0 7855 AO 5 PET CG CAP 0.100000 12.0110 0 7856 AO 5 PET C1 CL 0.630000 12.0110 0 7857 AO 5 PET O11 OBL -0.520000 15.9990 0 7858 AO 5 PET O12 OSL -0.340000 15.9990 0 7859 AO 5 PET C3 CTL2 -0.050000 12.0110 0 7860 AO 5 PET H31 HAL2 0.090000 1.0080 0 7861 AO 5 PET H32 HAL2 0.090000 1.0080 0 7862 AO 5 PET CZ CAP 0.100000 12.0110 0 7863 AO 5 PET C2 CL 0.630000 12.0110 0 7864 AO 5 PET O21 OBL -0.520000 15.9990 0 7865 AO 5 PET O22 OSL -0.340000 15.9990 0 7866 AO 5 PET C4 CTL2 -0.050000 12.0110 0 7867 AO 5 PET H41 HAL2 0.090000 1.0080 0 7868 AO 5 PET H42 HAL2 0.090000 1.0080 0 7869 AO 6 PET CD1 CAP -0.115000 12.0110 0 7870 AO 6 PET HD1 HP 0.115000 1.0080 0 7871 AO 6 PET CE1 CAP -0.115000 12.0110 0 7872 AO 6 PET HE1 HP 0.115000 1.0080 0 7873 AO 6 PET CD2 CAP -0.115000 12.0110 0 7874 AO 6 PET HD2 HP 0.115000 1.0080 0 7875 AO 6 PET CE2 CAP -0.115000 12.0110 0 7876 AO 6 PET HE2 HP 0.115000 1.0080 0 7877 AO 6 PET CG CAP 0.100000 12.0110 0 7878 AO 6 PET C1 CL 0.630000 12.0110 0 7879 AO 6 PET O11 OBL -0.520000 15.9990 0 7880 AO 6 PET O12 OSL -0.340000 15.9990 0 7881 AO 6 PET C3 CTL2 -0.050000 12.0110 0 7882 AO 6 PET H31 HAL2 0.090000 1.0080 0 7883 AO 6 PET H32 HAL2 0.090000 1.0080 0 7884 AO 6 PET CZ CAP 0.100000 12.0110 0 7885 AO 6 PET C2 CL 0.630000 12.0110 0 7886 AO 6 PET O21 OBL -0.520000 15.9990 0 7887 AO 6 PET O22 OSL -0.340000 15.9990 0 7888 AO 6 PET C4 CTL2 -0.050000 12.0110 0 7889 AO 6 PET H41 HAL2 0.090000 1.0080 0 7890 AO 6 PET H42 HAL2 0.090000 1.0080 0 7891 AO 7 PET CD1 CAP -0.115000 12.0110 0 7892 AO 7 PET HD1 HP 0.115000 1.0080 0 7893 AO 7 PET CE1 CAP -0.115000 12.0110 0 7894 AO 7 PET HE1 HP 0.115000 1.0080 0 7895 AO 7 PET CD2 CAP -0.115000 12.0110 0 7896 AO 7 PET HD2 HP 0.115000 1.0080 0 7897 AO 7 PET CE2 CAP -0.115000 12.0110 0 7898 AO 7 PET HE2 HP 0.115000 1.0080 0 7899 AO 7 PET CG CAP 0.100000 12.0110 0 7900 AO 7 PET C1 CL 0.630000 12.0110 0 7901 AO 7 PET O11 OBL -0.520000 15.9990 0 7902 AO 7 PET O12 OSL -0.340000 15.9990 0 7903 AO 7 PET C3 CTL2 -0.050000 12.0110 0 7904 AO 7 PET H31 HAL2 0.090000 1.0080 0 7905 AO 7 PET H32 HAL2 0.090000 1.0080 0 7906 AO 7 PET CZ CAP 0.100000 12.0110 0 7907 AO 7 PET C2 CL 0.630000 12.0110 0 7908 AO 7 PET O21 OBL -0.520000 15.9990 0 7909 AO 7 PET O22 OSL -0.340000 15.9990 0 7910 AO 7 PET C4 CTL2 -0.050000 12.0110 0 7911 AO 7 PET H41 HAL2 0.090000 1.0080 0 7912 AO 7 PET H42 HAL2 0.090000 1.0080 0 7913 AO 8 PET CD1 CAP -0.115000 12.0110 0 7914 AO 8 PET HD1 HP 0.115000 1.0080 0 7915 AO 8 PET CE1 CAP -0.115000 12.0110 0 7916 AO 8 PET HE1 HP 0.115000 1.0080 0 7917 AO 8 PET CD2 CAP -0.115000 12.0110 0 7918 AO 8 PET HD2 HP 0.115000 1.0080 0 7919 AO 8 PET CE2 CAP -0.115000 12.0110 0 7920 AO 8 PET HE2 HP 0.115000 1.0080 0 7921 AO 8 PET CG CAP 0.100000 12.0110 0 7922 AO 8 PET C1 CL 0.630000 12.0110 0 7923 AO 8 PET O11 OBL -0.520000 15.9990 0 7924 AO 8 PET O12 OSL -0.340000 15.9990 0 7925 AO 8 PET C3 CTL2 -0.050000 12.0110 0 7926 AO 8 PET H31 HAL2 0.090000 1.0080 0 7927 AO 8 PET H32 HAL2 0.090000 1.0080 0 7928 AO 8 PET CZ CAP 0.100000 12.0110 0 7929 AO 8 PET C2 CL 0.630000 12.0110 0 7930 AO 8 PET O21 OBL -0.520000 15.9990 0 7931 AO 8 PET O22 OSL -0.340000 15.9990 0 7932 AO 8 PET C4 CTL2 -0.050000 12.0110 0 7933 AO 8 PET H41 HAL2 0.090000 1.0080 0 7934 AO 8 PET H42 HAL2 0.090000 1.0080 0 7935 AO 9 PET C1 CD 0.750000 12.0110 0 7936 AO 9 PET O11 OB -0.550000 15.9990 0 7937 AO 9 PET O12 OH1 -0.610000 15.9990 0 7938 AO 9 PET CG CAP -0.030000 12.0110 0 7939 AO 9 PET H12 H 0.440000 1.0080 0 7940 AO 9 PET CD1 CAP -0.115000 12.0110 0 7941 AO 9 PET HD1 HP 0.115000 1.0080 0 7942 AO 9 PET CE1 CAP -0.115000 12.0110 0 7943 AO 9 PET HE1 HP 0.115000 1.0080 0 7944 AO 9 PET CD2 CAP -0.115000 12.0110 0 7945 AO 9 PET HD2 HP 0.115000 1.0080 0 7946 AO 9 PET CE2 CAP -0.115000 12.0110 0 7947 AO 9 PET HE2 HP 0.115000 1.0080 0 7948 AO 9 PET CZ CAP 0.100000 12.0110 0 7949 AO 9 PET C2 CL 0.630000 12.0110 0 7950 AO 9 PET O21 OBL -0.520000 15.9990 0 7951 AO 9 PET O22 OSL -0.340000 15.9990 0 7952 AO 9 PET C4 CTL2 -0.050000 12.0110 0 7953 AO 9 PET H41 HAL2 0.090000 1.0080 0 7954 AO 9 PET H42 HAL2 0.090000 1.0080 0 7955 AP 1 PET C2 CD 0.750000 12.0110 0 7956 AP 1 PET O21 OB -0.550000 15.9990 0 7957 AP 1 PET O22 OH1 -0.610000 15.9990 0 7958 AP 1 PET CZ CAP -0.030000 12.0110 0 7959 AP 1 PET H22 H 0.440000 1.0080 0 7960 AP 1 PET CD1 CAP -0.115000 12.0110 0 7961 AP 1 PET HD1 HP 0.115000 1.0080 0 7962 AP 1 PET CE1 CAP -0.115000 12.0110 0 7963 AP 1 PET HE1 HP 0.115000 1.0080 0 7964 AP 1 PET CD2 CAP -0.115000 12.0110 0 7965 AP 1 PET HD2 HP 0.115000 1.0080 0 7966 AP 1 PET CE2 CAP -0.115000 12.0110 0 7967 AP 1 PET HE2 HP 0.115000 1.0080 0 7968 AP 1 PET CG CAP 0.100000 12.0110 0 7969 AP 1 PET C1 CL 0.630000 12.0110 0 7970 AP 1 PET O11 OBL -0.520000 15.9990 0 7971 AP 1 PET O12 OSL -0.340000 15.9990 0 7972 AP 1 PET C3 CTL2 -0.050000 12.0110 0 7973 AP 1 PET H31 HAL2 0.090000 1.0080 0 7974 AP 1 PET H32 HAL2 0.090000 1.0080 0 7975 AP 2 PET CD1 CAP -0.115000 12.0110 0 7976 AP 2 PET HD1 HP 0.115000 1.0080 0 7977 AP 2 PET CE1 CAP -0.115000 12.0110 0 7978 AP 2 PET HE1 HP 0.115000 1.0080 0 7979 AP 2 PET CD2 CAP -0.115000 12.0110 0 7980 AP 2 PET HD2 HP 0.115000 1.0080 0 7981 AP 2 PET CE2 CAP -0.115000 12.0110 0 7982 AP 2 PET HE2 HP 0.115000 1.0080 0 7983 AP 2 PET CG CAP 0.100000 12.0110 0 7984 AP 2 PET C1 CL 0.630000 12.0110 0 7985 AP 2 PET O11 OBL -0.520000 15.9990 0 7986 AP 2 PET O12 OSL -0.340000 15.9990 0 7987 AP 2 PET C3 CTL2 -0.050000 12.0110 0 7988 AP 2 PET H31 HAL2 0.090000 1.0080 0 7989 AP 2 PET H32 HAL2 0.090000 1.0080 0 7990 AP 2 PET CZ CAP 0.100000 12.0110 0 7991 AP 2 PET C2 CL 0.630000 12.0110 0 7992 AP 2 PET O21 OBL -0.520000 15.9990 0 7993 AP 2 PET O22 OSL -0.340000 15.9990 0 7994 AP 2 PET C4 CTL2 -0.050000 12.0110 0 7995 AP 2 PET H41 HAL2 0.090000 1.0080 0 7996 AP 2 PET H42 HAL2 0.090000 1.0080 0 7997 AP 3 PET CD1 CAP -0.115000 12.0110 0 7998 AP 3 PET HD1 HP 0.115000 1.0080 0 7999 AP 3 PET CE1 CAP -0.115000 12.0110 0 8000 AP 3 PET HE1 HP 0.115000 1.0080 0 8001 AP 3 PET CD2 CAP -0.115000 12.0110 0 8002 AP 3 PET HD2 HP 0.115000 1.0080 0 8003 AP 3 PET CE2 CAP -0.115000 12.0110 0 8004 AP 3 PET HE2 HP 0.115000 1.0080 0 8005 AP 3 PET CG CAP 0.100000 12.0110 0 8006 AP 3 PET C1 CL 0.630000 12.0110 0 8007 AP 3 PET O11 OBL -0.520000 15.9990 0 8008 AP 3 PET O12 OSL -0.340000 15.9990 0 8009 AP 3 PET C3 CTL2 -0.050000 12.0110 0 8010 AP 3 PET H31 HAL2 0.090000 1.0080 0 8011 AP 3 PET H32 HAL2 0.090000 1.0080 0 8012 AP 3 PET CZ CAP 0.100000 12.0110 0 8013 AP 3 PET C2 CL 0.630000 12.0110 0 8014 AP 3 PET O21 OBL -0.520000 15.9990 0 8015 AP 3 PET O22 OSL -0.340000 15.9990 0 8016 AP 3 PET C4 CTL2 -0.050000 12.0110 0 8017 AP 3 PET H41 HAL2 0.090000 1.0080 0 8018 AP 3 PET H42 HAL2 0.090000 1.0080 0 8019 AP 4 PET CD1 CAP -0.115000 12.0110 0 8020 AP 4 PET HD1 HP 0.115000 1.0080 0 8021 AP 4 PET CE1 CAP -0.115000 12.0110 0 8022 AP 4 PET HE1 HP 0.115000 1.0080 0 8023 AP 4 PET CD2 CAP -0.115000 12.0110 0 8024 AP 4 PET HD2 HP 0.115000 1.0080 0 8025 AP 4 PET CE2 CAP -0.115000 12.0110 0 8026 AP 4 PET HE2 HP 0.115000 1.0080 0 8027 AP 4 PET CG CAP 0.100000 12.0110 0 8028 AP 4 PET C1 CL 0.630000 12.0110 0 8029 AP 4 PET O11 OBL -0.520000 15.9990 0 8030 AP 4 PET O12 OSL -0.340000 15.9990 0 8031 AP 4 PET C3 CTL2 -0.050000 12.0110 0 8032 AP 4 PET H31 HAL2 0.090000 1.0080 0 8033 AP 4 PET H32 HAL2 0.090000 1.0080 0 8034 AP 4 PET CZ CAP 0.100000 12.0110 0 8035 AP 4 PET C2 CL 0.630000 12.0110 0 8036 AP 4 PET O21 OBL -0.520000 15.9990 0 8037 AP 4 PET O22 OSL -0.340000 15.9990 0 8038 AP 4 PET C4 CTL2 -0.050000 12.0110 0 8039 AP 4 PET H41 HAL2 0.090000 1.0080 0 8040 AP 4 PET H42 HAL2 0.090000 1.0080 0 8041 AP 5 PET CD1 CAP -0.115000 12.0110 0 8042 AP 5 PET HD1 HP 0.115000 1.0080 0 8043 AP 5 PET CE1 CAP -0.115000 12.0110 0 8044 AP 5 PET HE1 HP 0.115000 1.0080 0 8045 AP 5 PET CD2 CAP -0.115000 12.0110 0 8046 AP 5 PET HD2 HP 0.115000 1.0080 0 8047 AP 5 PET CE2 CAP -0.115000 12.0110 0 8048 AP 5 PET HE2 HP 0.115000 1.0080 0 8049 AP 5 PET CG CAP 0.100000 12.0110 0 8050 AP 5 PET C1 CL 0.630000 12.0110 0 8051 AP 5 PET O11 OBL -0.520000 15.9990 0 8052 AP 5 PET O12 OSL -0.340000 15.9990 0 8053 AP 5 PET C3 CTL2 -0.050000 12.0110 0 8054 AP 5 PET H31 HAL2 0.090000 1.0080 0 8055 AP 5 PET H32 HAL2 0.090000 1.0080 0 8056 AP 5 PET CZ CAP 0.100000 12.0110 0 8057 AP 5 PET C2 CL 0.630000 12.0110 0 8058 AP 5 PET O21 OBL -0.520000 15.9990 0 8059 AP 5 PET O22 OSL -0.340000 15.9990 0 8060 AP 5 PET C4 CTL2 -0.050000 12.0110 0 8061 AP 5 PET H41 HAL2 0.090000 1.0080 0 8062 AP 5 PET H42 HAL2 0.090000 1.0080 0 8063 AP 6 PET CD1 CAP -0.115000 12.0110 0 8064 AP 6 PET HD1 HP 0.115000 1.0080 0 8065 AP 6 PET CE1 CAP -0.115000 12.0110 0 8066 AP 6 PET HE1 HP 0.115000 1.0080 0 8067 AP 6 PET CD2 CAP -0.115000 12.0110 0 8068 AP 6 PET HD2 HP 0.115000 1.0080 0 8069 AP 6 PET CE2 CAP -0.115000 12.0110 0 8070 AP 6 PET HE2 HP 0.115000 1.0080 0 8071 AP 6 PET CG CAP 0.100000 12.0110 0 8072 AP 6 PET C1 CL 0.630000 12.0110 0 8073 AP 6 PET O11 OBL -0.520000 15.9990 0 8074 AP 6 PET O12 OSL -0.340000 15.9990 0 8075 AP 6 PET C3 CTL2 -0.050000 12.0110 0 8076 AP 6 PET H31 HAL2 0.090000 1.0080 0 8077 AP 6 PET H32 HAL2 0.090000 1.0080 0 8078 AP 6 PET CZ CAP 0.100000 12.0110 0 8079 AP 6 PET C2 CL 0.630000 12.0110 0 8080 AP 6 PET O21 OBL -0.520000 15.9990 0 8081 AP 6 PET O22 OSL -0.340000 15.9990 0 8082 AP 6 PET C4 CTL2 -0.050000 12.0110 0 8083 AP 6 PET H41 HAL2 0.090000 1.0080 0 8084 AP 6 PET H42 HAL2 0.090000 1.0080 0 8085 AP 7 PET CD1 CAP -0.115000 12.0110 0 8086 AP 7 PET HD1 HP 0.115000 1.0080 0 8087 AP 7 PET CE1 CAP -0.115000 12.0110 0 8088 AP 7 PET HE1 HP 0.115000 1.0080 0 8089 AP 7 PET CD2 CAP -0.115000 12.0110 0 8090 AP 7 PET HD2 HP 0.115000 1.0080 0 8091 AP 7 PET CE2 CAP -0.115000 12.0110 0 8092 AP 7 PET HE2 HP 0.115000 1.0080 0 8093 AP 7 PET CG CAP 0.100000 12.0110 0 8094 AP 7 PET C1 CL 0.630000 12.0110 0 8095 AP 7 PET O11 OBL -0.520000 15.9990 0 8096 AP 7 PET O12 OSL -0.340000 15.9990 0 8097 AP 7 PET C3 CTL2 -0.050000 12.0110 0 8098 AP 7 PET H31 HAL2 0.090000 1.0080 0 8099 AP 7 PET H32 HAL2 0.090000 1.0080 0 8100 AP 7 PET CZ CAP 0.100000 12.0110 0 8101 AP 7 PET C2 CL 0.630000 12.0110 0 8102 AP 7 PET O21 OBL -0.520000 15.9990 0 8103 AP 7 PET O22 OSL -0.340000 15.9990 0 8104 AP 7 PET C4 CTL2 -0.050000 12.0110 0 8105 AP 7 PET H41 HAL2 0.090000 1.0080 0 8106 AP 7 PET H42 HAL2 0.090000 1.0080 0 8107 AP 8 PET CD1 CAP -0.115000 12.0110 0 8108 AP 8 PET HD1 HP 0.115000 1.0080 0 8109 AP 8 PET CE1 CAP -0.115000 12.0110 0 8110 AP 8 PET HE1 HP 0.115000 1.0080 0 8111 AP 8 PET CD2 CAP -0.115000 12.0110 0 8112 AP 8 PET HD2 HP 0.115000 1.0080 0 8113 AP 8 PET CE2 CAP -0.115000 12.0110 0 8114 AP 8 PET HE2 HP 0.115000 1.0080 0 8115 AP 8 PET CG CAP 0.100000 12.0110 0 8116 AP 8 PET C1 CL 0.630000 12.0110 0 8117 AP 8 PET O11 OBL -0.520000 15.9990 0 8118 AP 8 PET O12 OSL -0.340000 15.9990 0 8119 AP 8 PET C3 CTL2 -0.050000 12.0110 0 8120 AP 8 PET H31 HAL2 0.090000 1.0080 0 8121 AP 8 PET H32 HAL2 0.090000 1.0080 0 8122 AP 8 PET CZ CAP 0.100000 12.0110 0 8123 AP 8 PET C2 CL 0.630000 12.0110 0 8124 AP 8 PET O21 OBL -0.520000 15.9990 0 8125 AP 8 PET O22 OSL -0.340000 15.9990 0 8126 AP 8 PET C4 CTL2 -0.050000 12.0110 0 8127 AP 8 PET H41 HAL2 0.090000 1.0080 0 8128 AP 8 PET H42 HAL2 0.090000 1.0080 0 8129 AP 9 PET C1 CD 0.750000 12.0110 0 8130 AP 9 PET O11 OB -0.550000 15.9990 0 8131 AP 9 PET O12 OH1 -0.610000 15.9990 0 8132 AP 9 PET CG CAP -0.030000 12.0110 0 8133 AP 9 PET H12 H 0.440000 1.0080 0 8134 AP 9 PET CD1 CAP -0.115000 12.0110 0 8135 AP 9 PET HD1 HP 0.115000 1.0080 0 8136 AP 9 PET CE1 CAP -0.115000 12.0110 0 8137 AP 9 PET HE1 HP 0.115000 1.0080 0 8138 AP 9 PET CD2 CAP -0.115000 12.0110 0 8139 AP 9 PET HD2 HP 0.115000 1.0080 0 8140 AP 9 PET CE2 CAP -0.115000 12.0110 0 8141 AP 9 PET HE2 HP 0.115000 1.0080 0 8142 AP 9 PET CZ CAP 0.100000 12.0110 0 8143 AP 9 PET C2 CL 0.630000 12.0110 0 8144 AP 9 PET O21 OBL -0.520000 15.9990 0 8145 AP 9 PET O22 OSL -0.340000 15.9990 0 8146 AP 9 PET C4 CTL2 -0.050000 12.0110 0 8147 AP 9 PET H41 HAL2 0.090000 1.0080 0 8148 AP 9 PET H42 HAL2 0.090000 1.0080 0 8149 AQ 1 PET C2 CD 0.750000 12.0110 0 8150 AQ 1 PET O21 OB -0.550000 15.9990 0 8151 AQ 1 PET O22 OH1 -0.610000 15.9990 0 8152 AQ 1 PET CZ CAP -0.030000 12.0110 0 8153 AQ 1 PET H22 H 0.440000 1.0080 0 8154 AQ 1 PET CD1 CAP -0.115000 12.0110 0 8155 AQ 1 PET HD1 HP 0.115000 1.0080 0 8156 AQ 1 PET CE1 CAP -0.115000 12.0110 0 8157 AQ 1 PET HE1 HP 0.115000 1.0080 0 8158 AQ 1 PET CD2 CAP -0.115000 12.0110 0 8159 AQ 1 PET HD2 HP 0.115000 1.0080 0 8160 AQ 1 PET CE2 CAP -0.115000 12.0110 0 8161 AQ 1 PET HE2 HP 0.115000 1.0080 0 8162 AQ 1 PET CG CAP 0.100000 12.0110 0 8163 AQ 1 PET C1 CL 0.630000 12.0110 0 8164 AQ 1 PET O11 OBL -0.520000 15.9990 0 8165 AQ 1 PET O12 OSL -0.340000 15.9990 0 8166 AQ 1 PET C3 CTL2 -0.050000 12.0110 0 8167 AQ 1 PET H31 HAL2 0.090000 1.0080 0 8168 AQ 1 PET H32 HAL2 0.090000 1.0080 0 8169 AQ 2 PET CD1 CAP -0.115000 12.0110 0 8170 AQ 2 PET HD1 HP 0.115000 1.0080 0 8171 AQ 2 PET CE1 CAP -0.115000 12.0110 0 8172 AQ 2 PET HE1 HP 0.115000 1.0080 0 8173 AQ 2 PET CD2 CAP -0.115000 12.0110 0 8174 AQ 2 PET HD2 HP 0.115000 1.0080 0 8175 AQ 2 PET CE2 CAP -0.115000 12.0110 0 8176 AQ 2 PET HE2 HP 0.115000 1.0080 0 8177 AQ 2 PET CG CAP 0.100000 12.0110 0 8178 AQ 2 PET C1 CL 0.630000 12.0110 0 8179 AQ 2 PET O11 OBL -0.520000 15.9990 0 8180 AQ 2 PET O12 OSL -0.340000 15.9990 0 8181 AQ 2 PET C3 CTL2 -0.050000 12.0110 0 8182 AQ 2 PET H31 HAL2 0.090000 1.0080 0 8183 AQ 2 PET H32 HAL2 0.090000 1.0080 0 8184 AQ 2 PET CZ CAP 0.100000 12.0110 0 8185 AQ 2 PET C2 CL 0.630000 12.0110 0 8186 AQ 2 PET O21 OBL -0.520000 15.9990 0 8187 AQ 2 PET O22 OSL -0.340000 15.9990 0 8188 AQ 2 PET C4 CTL2 -0.050000 12.0110 0 8189 AQ 2 PET H41 HAL2 0.090000 1.0080 0 8190 AQ 2 PET H42 HAL2 0.090000 1.0080 0 8191 AQ 3 PET CD1 CAP -0.115000 12.0110 0 8192 AQ 3 PET HD1 HP 0.115000 1.0080 0 8193 AQ 3 PET CE1 CAP -0.115000 12.0110 0 8194 AQ 3 PET HE1 HP 0.115000 1.0080 0 8195 AQ 3 PET CD2 CAP -0.115000 12.0110 0 8196 AQ 3 PET HD2 HP 0.115000 1.0080 0 8197 AQ 3 PET CE2 CAP -0.115000 12.0110 0 8198 AQ 3 PET HE2 HP 0.115000 1.0080 0 8199 AQ 3 PET CG CAP 0.100000 12.0110 0 8200 AQ 3 PET C1 CL 0.630000 12.0110 0 8201 AQ 3 PET O11 OBL -0.520000 15.9990 0 8202 AQ 3 PET O12 OSL -0.340000 15.9990 0 8203 AQ 3 PET C3 CTL2 -0.050000 12.0110 0 8204 AQ 3 PET H31 HAL2 0.090000 1.0080 0 8205 AQ 3 PET H32 HAL2 0.090000 1.0080 0 8206 AQ 3 PET CZ CAP 0.100000 12.0110 0 8207 AQ 3 PET C2 CL 0.630000 12.0110 0 8208 AQ 3 PET O21 OBL -0.520000 15.9990 0 8209 AQ 3 PET O22 OSL -0.340000 15.9990 0 8210 AQ 3 PET C4 CTL2 -0.050000 12.0110 0 8211 AQ 3 PET H41 HAL2 0.090000 1.0080 0 8212 AQ 3 PET H42 HAL2 0.090000 1.0080 0 8213 AQ 4 PET CD1 CAP -0.115000 12.0110 0 8214 AQ 4 PET HD1 HP 0.115000 1.0080 0 8215 AQ 4 PET CE1 CAP -0.115000 12.0110 0 8216 AQ 4 PET HE1 HP 0.115000 1.0080 0 8217 AQ 4 PET CD2 CAP -0.115000 12.0110 0 8218 AQ 4 PET HD2 HP 0.115000 1.0080 0 8219 AQ 4 PET CE2 CAP -0.115000 12.0110 0 8220 AQ 4 PET HE2 HP 0.115000 1.0080 0 8221 AQ 4 PET CG CAP 0.100000 12.0110 0 8222 AQ 4 PET C1 CL 0.630000 12.0110 0 8223 AQ 4 PET O11 OBL -0.520000 15.9990 0 8224 AQ 4 PET O12 OSL -0.340000 15.9990 0 8225 AQ 4 PET C3 CTL2 -0.050000 12.0110 0 8226 AQ 4 PET H31 HAL2 0.090000 1.0080 0 8227 AQ 4 PET H32 HAL2 0.090000 1.0080 0 8228 AQ 4 PET CZ CAP 0.100000 12.0110 0 8229 AQ 4 PET C2 CL 0.630000 12.0110 0 8230 AQ 4 PET O21 OBL -0.520000 15.9990 0 8231 AQ 4 PET O22 OSL -0.340000 15.9990 0 8232 AQ 4 PET C4 CTL2 -0.050000 12.0110 0 8233 AQ 4 PET H41 HAL2 0.090000 1.0080 0 8234 AQ 4 PET H42 HAL2 0.090000 1.0080 0 8235 AQ 5 PET CD1 CAP -0.115000 12.0110 0 8236 AQ 5 PET HD1 HP 0.115000 1.0080 0 8237 AQ 5 PET CE1 CAP -0.115000 12.0110 0 8238 AQ 5 PET HE1 HP 0.115000 1.0080 0 8239 AQ 5 PET CD2 CAP -0.115000 12.0110 0 8240 AQ 5 PET HD2 HP 0.115000 1.0080 0 8241 AQ 5 PET CE2 CAP -0.115000 12.0110 0 8242 AQ 5 PET HE2 HP 0.115000 1.0080 0 8243 AQ 5 PET CG CAP 0.100000 12.0110 0 8244 AQ 5 PET C1 CL 0.630000 12.0110 0 8245 AQ 5 PET O11 OBL -0.520000 15.9990 0 8246 AQ 5 PET O12 OSL -0.340000 15.9990 0 8247 AQ 5 PET C3 CTL2 -0.050000 12.0110 0 8248 AQ 5 PET H31 HAL2 0.090000 1.0080 0 8249 AQ 5 PET H32 HAL2 0.090000 1.0080 0 8250 AQ 5 PET CZ CAP 0.100000 12.0110 0 8251 AQ 5 PET C2 CL 0.630000 12.0110 0 8252 AQ 5 PET O21 OBL -0.520000 15.9990 0 8253 AQ 5 PET O22 OSL -0.340000 15.9990 0 8254 AQ 5 PET C4 CTL2 -0.050000 12.0110 0 8255 AQ 5 PET H41 HAL2 0.090000 1.0080 0 8256 AQ 5 PET H42 HAL2 0.090000 1.0080 0 8257 AQ 6 PET CD1 CAP -0.115000 12.0110 0 8258 AQ 6 PET HD1 HP 0.115000 1.0080 0 8259 AQ 6 PET CE1 CAP -0.115000 12.0110 0 8260 AQ 6 PET HE1 HP 0.115000 1.0080 0 8261 AQ 6 PET CD2 CAP -0.115000 12.0110 0 8262 AQ 6 PET HD2 HP 0.115000 1.0080 0 8263 AQ 6 PET CE2 CAP -0.115000 12.0110 0 8264 AQ 6 PET HE2 HP 0.115000 1.0080 0 8265 AQ 6 PET CG CAP 0.100000 12.0110 0 8266 AQ 6 PET C1 CL 0.630000 12.0110 0 8267 AQ 6 PET O11 OBL -0.520000 15.9990 0 8268 AQ 6 PET O12 OSL -0.340000 15.9990 0 8269 AQ 6 PET C3 CTL2 -0.050000 12.0110 0 8270 AQ 6 PET H31 HAL2 0.090000 1.0080 0 8271 AQ 6 PET H32 HAL2 0.090000 1.0080 0 8272 AQ 6 PET CZ CAP 0.100000 12.0110 0 8273 AQ 6 PET C2 CL 0.630000 12.0110 0 8274 AQ 6 PET O21 OBL -0.520000 15.9990 0 8275 AQ 6 PET O22 OSL -0.340000 15.9990 0 8276 AQ 6 PET C4 CTL2 -0.050000 12.0110 0 8277 AQ 6 PET H41 HAL2 0.090000 1.0080 0 8278 AQ 6 PET H42 HAL2 0.090000 1.0080 0 8279 AQ 7 PET CD1 CAP -0.115000 12.0110 0 8280 AQ 7 PET HD1 HP 0.115000 1.0080 0 8281 AQ 7 PET CE1 CAP -0.115000 12.0110 0 8282 AQ 7 PET HE1 HP 0.115000 1.0080 0 8283 AQ 7 PET CD2 CAP -0.115000 12.0110 0 8284 AQ 7 PET HD2 HP 0.115000 1.0080 0 8285 AQ 7 PET CE2 CAP -0.115000 12.0110 0 8286 AQ 7 PET HE2 HP 0.115000 1.0080 0 8287 AQ 7 PET CG CAP 0.100000 12.0110 0 8288 AQ 7 PET C1 CL 0.630000 12.0110 0 8289 AQ 7 PET O11 OBL -0.520000 15.9990 0 8290 AQ 7 PET O12 OSL -0.340000 15.9990 0 8291 AQ 7 PET C3 CTL2 -0.050000 12.0110 0 8292 AQ 7 PET H31 HAL2 0.090000 1.0080 0 8293 AQ 7 PET H32 HAL2 0.090000 1.0080 0 8294 AQ 7 PET CZ CAP 0.100000 12.0110 0 8295 AQ 7 PET C2 CL 0.630000 12.0110 0 8296 AQ 7 PET O21 OBL -0.520000 15.9990 0 8297 AQ 7 PET O22 OSL -0.340000 15.9990 0 8298 AQ 7 PET C4 CTL2 -0.050000 12.0110 0 8299 AQ 7 PET H41 HAL2 0.090000 1.0080 0 8300 AQ 7 PET H42 HAL2 0.090000 1.0080 0 8301 AQ 8 PET CD1 CAP -0.115000 12.0110 0 8302 AQ 8 PET HD1 HP 0.115000 1.0080 0 8303 AQ 8 PET CE1 CAP -0.115000 12.0110 0 8304 AQ 8 PET HE1 HP 0.115000 1.0080 0 8305 AQ 8 PET CD2 CAP -0.115000 12.0110 0 8306 AQ 8 PET HD2 HP 0.115000 1.0080 0 8307 AQ 8 PET CE2 CAP -0.115000 12.0110 0 8308 AQ 8 PET HE2 HP 0.115000 1.0080 0 8309 AQ 8 PET CG CAP 0.100000 12.0110 0 8310 AQ 8 PET C1 CL 0.630000 12.0110 0 8311 AQ 8 PET O11 OBL -0.520000 15.9990 0 8312 AQ 8 PET O12 OSL -0.340000 15.9990 0 8313 AQ 8 PET C3 CTL2 -0.050000 12.0110 0 8314 AQ 8 PET H31 HAL2 0.090000 1.0080 0 8315 AQ 8 PET H32 HAL2 0.090000 1.0080 0 8316 AQ 8 PET CZ CAP 0.100000 12.0110 0 8317 AQ 8 PET C2 CL 0.630000 12.0110 0 8318 AQ 8 PET O21 OBL -0.520000 15.9990 0 8319 AQ 8 PET O22 OSL -0.340000 15.9990 0 8320 AQ 8 PET C4 CTL2 -0.050000 12.0110 0 8321 AQ 8 PET H41 HAL2 0.090000 1.0080 0 8322 AQ 8 PET H42 HAL2 0.090000 1.0080 0 8323 AQ 9 PET C1 CD 0.750000 12.0110 0 8324 AQ 9 PET O11 OB -0.550000 15.9990 0 8325 AQ 9 PET O12 OH1 -0.610000 15.9990 0 8326 AQ 9 PET CG CAP -0.030000 12.0110 0 8327 AQ 9 PET H12 H 0.440000 1.0080 0 8328 AQ 9 PET CD1 CAP -0.115000 12.0110 0 8329 AQ 9 PET HD1 HP 0.115000 1.0080 0 8330 AQ 9 PET CE1 CAP -0.115000 12.0110 0 8331 AQ 9 PET HE1 HP 0.115000 1.0080 0 8332 AQ 9 PET CD2 CAP -0.115000 12.0110 0 8333 AQ 9 PET HD2 HP 0.115000 1.0080 0 8334 AQ 9 PET CE2 CAP -0.115000 12.0110 0 8335 AQ 9 PET HE2 HP 0.115000 1.0080 0 8336 AQ 9 PET CZ CAP 0.100000 12.0110 0 8337 AQ 9 PET C2 CL 0.630000 12.0110 0 8338 AQ 9 PET O21 OBL -0.520000 15.9990 0 8339 AQ 9 PET O22 OSL -0.340000 15.9990 0 8340 AQ 9 PET C4 CTL2 -0.050000 12.0110 0 8341 AQ 9 PET H41 HAL2 0.090000 1.0080 0 8342 AQ 9 PET H42 HAL2 0.090000 1.0080 0 8343 AR 1 PET C2 CD 0.750000 12.0110 0 8344 AR 1 PET O21 OB -0.550000 15.9990 0 8345 AR 1 PET O22 OH1 -0.610000 15.9990 0 8346 AR 1 PET CZ CAP -0.030000 12.0110 0 8347 AR 1 PET H22 H 0.440000 1.0080 0 8348 AR 1 PET CD1 CAP -0.115000 12.0110 0 8349 AR 1 PET HD1 HP 0.115000 1.0080 0 8350 AR 1 PET CE1 CAP -0.115000 12.0110 0 8351 AR 1 PET HE1 HP 0.115000 1.0080 0 8352 AR 1 PET CD2 CAP -0.115000 12.0110 0 8353 AR 1 PET HD2 HP 0.115000 1.0080 0 8354 AR 1 PET CE2 CAP -0.115000 12.0110 0 8355 AR 1 PET HE2 HP 0.115000 1.0080 0 8356 AR 1 PET CG CAP 0.100000 12.0110 0 8357 AR 1 PET C1 CL 0.630000 12.0110 0 8358 AR 1 PET O11 OBL -0.520000 15.9990 0 8359 AR 1 PET O12 OSL -0.340000 15.9990 0 8360 AR 1 PET C3 CTL2 -0.050000 12.0110 0 8361 AR 1 PET H31 HAL2 0.090000 1.0080 0 8362 AR 1 PET H32 HAL2 0.090000 1.0080 0 8363 AR 2 PET CD1 CAP -0.115000 12.0110 0 8364 AR 2 PET HD1 HP 0.115000 1.0080 0 8365 AR 2 PET CE1 CAP -0.115000 12.0110 0 8366 AR 2 PET HE1 HP 0.115000 1.0080 0 8367 AR 2 PET CD2 CAP -0.115000 12.0110 0 8368 AR 2 PET HD2 HP 0.115000 1.0080 0 8369 AR 2 PET CE2 CAP -0.115000 12.0110 0 8370 AR 2 PET HE2 HP 0.115000 1.0080 0 8371 AR 2 PET CG CAP 0.100000 12.0110 0 8372 AR 2 PET C1 CL 0.630000 12.0110 0 8373 AR 2 PET O11 OBL -0.520000 15.9990 0 8374 AR 2 PET O12 OSL -0.340000 15.9990 0 8375 AR 2 PET C3 CTL2 -0.050000 12.0110 0 8376 AR 2 PET H31 HAL2 0.090000 1.0080 0 8377 AR 2 PET H32 HAL2 0.090000 1.0080 0 8378 AR 2 PET CZ CAP 0.100000 12.0110 0 8379 AR 2 PET C2 CL 0.630000 12.0110 0 8380 AR 2 PET O21 OBL -0.520000 15.9990 0 8381 AR 2 PET O22 OSL -0.340000 15.9990 0 8382 AR 2 PET C4 CTL2 -0.050000 12.0110 0 8383 AR 2 PET H41 HAL2 0.090000 1.0080 0 8384 AR 2 PET H42 HAL2 0.090000 1.0080 0 8385 AR 3 PET CD1 CAP -0.115000 12.0110 0 8386 AR 3 PET HD1 HP 0.115000 1.0080 0 8387 AR 3 PET CE1 CAP -0.115000 12.0110 0 8388 AR 3 PET HE1 HP 0.115000 1.0080 0 8389 AR 3 PET CD2 CAP -0.115000 12.0110 0 8390 AR 3 PET HD2 HP 0.115000 1.0080 0 8391 AR 3 PET CE2 CAP -0.115000 12.0110 0 8392 AR 3 PET HE2 HP 0.115000 1.0080 0 8393 AR 3 PET CG CAP 0.100000 12.0110 0 8394 AR 3 PET C1 CL 0.630000 12.0110 0 8395 AR 3 PET O11 OBL -0.520000 15.9990 0 8396 AR 3 PET O12 OSL -0.340000 15.9990 0 8397 AR 3 PET C3 CTL2 -0.050000 12.0110 0 8398 AR 3 PET H31 HAL2 0.090000 1.0080 0 8399 AR 3 PET H32 HAL2 0.090000 1.0080 0 8400 AR 3 PET CZ CAP 0.100000 12.0110 0 8401 AR 3 PET C2 CL 0.630000 12.0110 0 8402 AR 3 PET O21 OBL -0.520000 15.9990 0 8403 AR 3 PET O22 OSL -0.340000 15.9990 0 8404 AR 3 PET C4 CTL2 -0.050000 12.0110 0 8405 AR 3 PET H41 HAL2 0.090000 1.0080 0 8406 AR 3 PET H42 HAL2 0.090000 1.0080 0 8407 AR 4 PET CD1 CAP -0.115000 12.0110 0 8408 AR 4 PET HD1 HP 0.115000 1.0080 0 8409 AR 4 PET CE1 CAP -0.115000 12.0110 0 8410 AR 4 PET HE1 HP 0.115000 1.0080 0 8411 AR 4 PET CD2 CAP -0.115000 12.0110 0 8412 AR 4 PET HD2 HP 0.115000 1.0080 0 8413 AR 4 PET CE2 CAP -0.115000 12.0110 0 8414 AR 4 PET HE2 HP 0.115000 1.0080 0 8415 AR 4 PET CG CAP 0.100000 12.0110 0 8416 AR 4 PET C1 CL 0.630000 12.0110 0 8417 AR 4 PET O11 OBL -0.520000 15.9990 0 8418 AR 4 PET O12 OSL -0.340000 15.9990 0 8419 AR 4 PET C3 CTL2 -0.050000 12.0110 0 8420 AR 4 PET H31 HAL2 0.090000 1.0080 0 8421 AR 4 PET H32 HAL2 0.090000 1.0080 0 8422 AR 4 PET CZ CAP 0.100000 12.0110 0 8423 AR 4 PET C2 CL 0.630000 12.0110 0 8424 AR 4 PET O21 OBL -0.520000 15.9990 0 8425 AR 4 PET O22 OSL -0.340000 15.9990 0 8426 AR 4 PET C4 CTL2 -0.050000 12.0110 0 8427 AR 4 PET H41 HAL2 0.090000 1.0080 0 8428 AR 4 PET H42 HAL2 0.090000 1.0080 0 8429 AR 5 PET CD1 CAP -0.115000 12.0110 0 8430 AR 5 PET HD1 HP 0.115000 1.0080 0 8431 AR 5 PET CE1 CAP -0.115000 12.0110 0 8432 AR 5 PET HE1 HP 0.115000 1.0080 0 8433 AR 5 PET CD2 CAP -0.115000 12.0110 0 8434 AR 5 PET HD2 HP 0.115000 1.0080 0 8435 AR 5 PET CE2 CAP -0.115000 12.0110 0 8436 AR 5 PET HE2 HP 0.115000 1.0080 0 8437 AR 5 PET CG CAP 0.100000 12.0110 0 8438 AR 5 PET C1 CL 0.630000 12.0110 0 8439 AR 5 PET O11 OBL -0.520000 15.9990 0 8440 AR 5 PET O12 OSL -0.340000 15.9990 0 8441 AR 5 PET C3 CTL2 -0.050000 12.0110 0 8442 AR 5 PET H31 HAL2 0.090000 1.0080 0 8443 AR 5 PET H32 HAL2 0.090000 1.0080 0 8444 AR 5 PET CZ CAP 0.100000 12.0110 0 8445 AR 5 PET C2 CL 0.630000 12.0110 0 8446 AR 5 PET O21 OBL -0.520000 15.9990 0 8447 AR 5 PET O22 OSL -0.340000 15.9990 0 8448 AR 5 PET C4 CTL2 -0.050000 12.0110 0 8449 AR 5 PET H41 HAL2 0.090000 1.0080 0 8450 AR 5 PET H42 HAL2 0.090000 1.0080 0 8451 AR 6 PET CD1 CAP -0.115000 12.0110 0 8452 AR 6 PET HD1 HP 0.115000 1.0080 0 8453 AR 6 PET CE1 CAP -0.115000 12.0110 0 8454 AR 6 PET HE1 HP 0.115000 1.0080 0 8455 AR 6 PET CD2 CAP -0.115000 12.0110 0 8456 AR 6 PET HD2 HP 0.115000 1.0080 0 8457 AR 6 PET CE2 CAP -0.115000 12.0110 0 8458 AR 6 PET HE2 HP 0.115000 1.0080 0 8459 AR 6 PET CG CAP 0.100000 12.0110 0 8460 AR 6 PET C1 CL 0.630000 12.0110 0 8461 AR 6 PET O11 OBL -0.520000 15.9990 0 8462 AR 6 PET O12 OSL -0.340000 15.9990 0 8463 AR 6 PET C3 CTL2 -0.050000 12.0110 0 8464 AR 6 PET H31 HAL2 0.090000 1.0080 0 8465 AR 6 PET H32 HAL2 0.090000 1.0080 0 8466 AR 6 PET CZ CAP 0.100000 12.0110 0 8467 AR 6 PET C2 CL 0.630000 12.0110 0 8468 AR 6 PET O21 OBL -0.520000 15.9990 0 8469 AR 6 PET O22 OSL -0.340000 15.9990 0 8470 AR 6 PET C4 CTL2 -0.050000 12.0110 0 8471 AR 6 PET H41 HAL2 0.090000 1.0080 0 8472 AR 6 PET H42 HAL2 0.090000 1.0080 0 8473 AR 7 PET CD1 CAP -0.115000 12.0110 0 8474 AR 7 PET HD1 HP 0.115000 1.0080 0 8475 AR 7 PET CE1 CAP -0.115000 12.0110 0 8476 AR 7 PET HE1 HP 0.115000 1.0080 0 8477 AR 7 PET CD2 CAP -0.115000 12.0110 0 8478 AR 7 PET HD2 HP 0.115000 1.0080 0 8479 AR 7 PET CE2 CAP -0.115000 12.0110 0 8480 AR 7 PET HE2 HP 0.115000 1.0080 0 8481 AR 7 PET CG CAP 0.100000 12.0110 0 8482 AR 7 PET C1 CL 0.630000 12.0110 0 8483 AR 7 PET O11 OBL -0.520000 15.9990 0 8484 AR 7 PET O12 OSL -0.340000 15.9990 0 8485 AR 7 PET C3 CTL2 -0.050000 12.0110 0 8486 AR 7 PET H31 HAL2 0.090000 1.0080 0 8487 AR 7 PET H32 HAL2 0.090000 1.0080 0 8488 AR 7 PET CZ CAP 0.100000 12.0110 0 8489 AR 7 PET C2 CL 0.630000 12.0110 0 8490 AR 7 PET O21 OBL -0.520000 15.9990 0 8491 AR 7 PET O22 OSL -0.340000 15.9990 0 8492 AR 7 PET C4 CTL2 -0.050000 12.0110 0 8493 AR 7 PET H41 HAL2 0.090000 1.0080 0 8494 AR 7 PET H42 HAL2 0.090000 1.0080 0 8495 AR 8 PET CD1 CAP -0.115000 12.0110 0 8496 AR 8 PET HD1 HP 0.115000 1.0080 0 8497 AR 8 PET CE1 CAP -0.115000 12.0110 0 8498 AR 8 PET HE1 HP 0.115000 1.0080 0 8499 AR 8 PET CD2 CAP -0.115000 12.0110 0 8500 AR 8 PET HD2 HP 0.115000 1.0080 0 8501 AR 8 PET CE2 CAP -0.115000 12.0110 0 8502 AR 8 PET HE2 HP 0.115000 1.0080 0 8503 AR 8 PET CG CAP 0.100000 12.0110 0 8504 AR 8 PET C1 CL 0.630000 12.0110 0 8505 AR 8 PET O11 OBL -0.520000 15.9990 0 8506 AR 8 PET O12 OSL -0.340000 15.9990 0 8507 AR 8 PET C3 CTL2 -0.050000 12.0110 0 8508 AR 8 PET H31 HAL2 0.090000 1.0080 0 8509 AR 8 PET H32 HAL2 0.090000 1.0080 0 8510 AR 8 PET CZ CAP 0.100000 12.0110 0 8511 AR 8 PET C2 CL 0.630000 12.0110 0 8512 AR 8 PET O21 OBL -0.520000 15.9990 0 8513 AR 8 PET O22 OSL -0.340000 15.9990 0 8514 AR 8 PET C4 CTL2 -0.050000 12.0110 0 8515 AR 8 PET H41 HAL2 0.090000 1.0080 0 8516 AR 8 PET H42 HAL2 0.090000 1.0080 0 8517 AR 9 PET C1 CD 0.750000 12.0110 0 8518 AR 9 PET O11 OB -0.550000 15.9990 0 8519 AR 9 PET O12 OH1 -0.610000 15.9990 0 8520 AR 9 PET CG CAP -0.030000 12.0110 0 8521 AR 9 PET H12 H 0.440000 1.0080 0 8522 AR 9 PET CD1 CAP -0.115000 12.0110 0 8523 AR 9 PET HD1 HP 0.115000 1.0080 0 8524 AR 9 PET CE1 CAP -0.115000 12.0110 0 8525 AR 9 PET HE1 HP 0.115000 1.0080 0 8526 AR 9 PET CD2 CAP -0.115000 12.0110 0 8527 AR 9 PET HD2 HP 0.115000 1.0080 0 8528 AR 9 PET CE2 CAP -0.115000 12.0110 0 8529 AR 9 PET HE2 HP 0.115000 1.0080 0 8530 AR 9 PET CZ CAP 0.100000 12.0110 0 8531 AR 9 PET C2 CL 0.630000 12.0110 0 8532 AR 9 PET O21 OBL -0.520000 15.9990 0 8533 AR 9 PET O22 OSL -0.340000 15.9990 0 8534 AR 9 PET C4 CTL2 -0.050000 12.0110 0 8535 AR 9 PET H41 HAL2 0.090000 1.0080 0 8536 AR 9 PET H42 HAL2 0.090000 1.0080 0 8537 AS 1 PET C2 CD 0.750000 12.0110 0 8538 AS 1 PET O21 OB -0.550000 15.9990 0 8539 AS 1 PET O22 OH1 -0.610000 15.9990 0 8540 AS 1 PET CZ CAP -0.030000 12.0110 0 8541 AS 1 PET H22 H 0.440000 1.0080 0 8542 AS 1 PET CD1 CAP -0.115000 12.0110 0 8543 AS 1 PET HD1 HP 0.115000 1.0080 0 8544 AS 1 PET CE1 CAP -0.115000 12.0110 0 8545 AS 1 PET HE1 HP 0.115000 1.0080 0 8546 AS 1 PET CD2 CAP -0.115000 12.0110 0 8547 AS 1 PET HD2 HP 0.115000 1.0080 0 8548 AS 1 PET CE2 CAP -0.115000 12.0110 0 8549 AS 1 PET HE2 HP 0.115000 1.0080 0 8550 AS 1 PET CG CAP 0.100000 12.0110 0 8551 AS 1 PET C1 CL 0.630000 12.0110 0 8552 AS 1 PET O11 OBL -0.520000 15.9990 0 8553 AS 1 PET O12 OSL -0.340000 15.9990 0 8554 AS 1 PET C3 CTL2 -0.050000 12.0110 0 8555 AS 1 PET H31 HAL2 0.090000 1.0080 0 8556 AS 1 PET H32 HAL2 0.090000 1.0080 0 8557 AS 2 PET CD1 CAP -0.115000 12.0110 0 8558 AS 2 PET HD1 HP 0.115000 1.0080 0 8559 AS 2 PET CE1 CAP -0.115000 12.0110 0 8560 AS 2 PET HE1 HP 0.115000 1.0080 0 8561 AS 2 PET CD2 CAP -0.115000 12.0110 0 8562 AS 2 PET HD2 HP 0.115000 1.0080 0 8563 AS 2 PET CE2 CAP -0.115000 12.0110 0 8564 AS 2 PET HE2 HP 0.115000 1.0080 0 8565 AS 2 PET CG CAP 0.100000 12.0110 0 8566 AS 2 PET C1 CL 0.630000 12.0110 0 8567 AS 2 PET O11 OBL -0.520000 15.9990 0 8568 AS 2 PET O12 OSL -0.340000 15.9990 0 8569 AS 2 PET C3 CTL2 -0.050000 12.0110 0 8570 AS 2 PET H31 HAL2 0.090000 1.0080 0 8571 AS 2 PET H32 HAL2 0.090000 1.0080 0 8572 AS 2 PET CZ CAP 0.100000 12.0110 0 8573 AS 2 PET C2 CL 0.630000 12.0110 0 8574 AS 2 PET O21 OBL -0.520000 15.9990 0 8575 AS 2 PET O22 OSL -0.340000 15.9990 0 8576 AS 2 PET C4 CTL2 -0.050000 12.0110 0 8577 AS 2 PET H41 HAL2 0.090000 1.0080 0 8578 AS 2 PET H42 HAL2 0.090000 1.0080 0 8579 AS 3 PET CD1 CAP -0.115000 12.0110 0 8580 AS 3 PET HD1 HP 0.115000 1.0080 0 8581 AS 3 PET CE1 CAP -0.115000 12.0110 0 8582 AS 3 PET HE1 HP 0.115000 1.0080 0 8583 AS 3 PET CD2 CAP -0.115000 12.0110 0 8584 AS 3 PET HD2 HP 0.115000 1.0080 0 8585 AS 3 PET CE2 CAP -0.115000 12.0110 0 8586 AS 3 PET HE2 HP 0.115000 1.0080 0 8587 AS 3 PET CG CAP 0.100000 12.0110 0 8588 AS 3 PET C1 CL 0.630000 12.0110 0 8589 AS 3 PET O11 OBL -0.520000 15.9990 0 8590 AS 3 PET O12 OSL -0.340000 15.9990 0 8591 AS 3 PET C3 CTL2 -0.050000 12.0110 0 8592 AS 3 PET H31 HAL2 0.090000 1.0080 0 8593 AS 3 PET H32 HAL2 0.090000 1.0080 0 8594 AS 3 PET CZ CAP 0.100000 12.0110 0 8595 AS 3 PET C2 CL 0.630000 12.0110 0 8596 AS 3 PET O21 OBL -0.520000 15.9990 0 8597 AS 3 PET O22 OSL -0.340000 15.9990 0 8598 AS 3 PET C4 CTL2 -0.050000 12.0110 0 8599 AS 3 PET H41 HAL2 0.090000 1.0080 0 8600 AS 3 PET H42 HAL2 0.090000 1.0080 0 8601 AS 4 PET CD1 CAP -0.115000 12.0110 0 8602 AS 4 PET HD1 HP 0.115000 1.0080 0 8603 AS 4 PET CE1 CAP -0.115000 12.0110 0 8604 AS 4 PET HE1 HP 0.115000 1.0080 0 8605 AS 4 PET CD2 CAP -0.115000 12.0110 0 8606 AS 4 PET HD2 HP 0.115000 1.0080 0 8607 AS 4 PET CE2 CAP -0.115000 12.0110 0 8608 AS 4 PET HE2 HP 0.115000 1.0080 0 8609 AS 4 PET CG CAP 0.100000 12.0110 0 8610 AS 4 PET C1 CL 0.630000 12.0110 0 8611 AS 4 PET O11 OBL -0.520000 15.9990 0 8612 AS 4 PET O12 OSL -0.340000 15.9990 0 8613 AS 4 PET C3 CTL2 -0.050000 12.0110 0 8614 AS 4 PET H31 HAL2 0.090000 1.0080 0 8615 AS 4 PET H32 HAL2 0.090000 1.0080 0 8616 AS 4 PET CZ CAP 0.100000 12.0110 0 8617 AS 4 PET C2 CL 0.630000 12.0110 0 8618 AS 4 PET O21 OBL -0.520000 15.9990 0 8619 AS 4 PET O22 OSL -0.340000 15.9990 0 8620 AS 4 PET C4 CTL2 -0.050000 12.0110 0 8621 AS 4 PET H41 HAL2 0.090000 1.0080 0 8622 AS 4 PET H42 HAL2 0.090000 1.0080 0 8623 AS 5 PET CD1 CAP -0.115000 12.0110 0 8624 AS 5 PET HD1 HP 0.115000 1.0080 0 8625 AS 5 PET CE1 CAP -0.115000 12.0110 0 8626 AS 5 PET HE1 HP 0.115000 1.0080 0 8627 AS 5 PET CD2 CAP -0.115000 12.0110 0 8628 AS 5 PET HD2 HP 0.115000 1.0080 0 8629 AS 5 PET CE2 CAP -0.115000 12.0110 0 8630 AS 5 PET HE2 HP 0.115000 1.0080 0 8631 AS 5 PET CG CAP 0.100000 12.0110 0 8632 AS 5 PET C1 CL 0.630000 12.0110 0 8633 AS 5 PET O11 OBL -0.520000 15.9990 0 8634 AS 5 PET O12 OSL -0.340000 15.9990 0 8635 AS 5 PET C3 CTL2 -0.050000 12.0110 0 8636 AS 5 PET H31 HAL2 0.090000 1.0080 0 8637 AS 5 PET H32 HAL2 0.090000 1.0080 0 8638 AS 5 PET CZ CAP 0.100000 12.0110 0 8639 AS 5 PET C2 CL 0.630000 12.0110 0 8640 AS 5 PET O21 OBL -0.520000 15.9990 0 8641 AS 5 PET O22 OSL -0.340000 15.9990 0 8642 AS 5 PET C4 CTL2 -0.050000 12.0110 0 8643 AS 5 PET H41 HAL2 0.090000 1.0080 0 8644 AS 5 PET H42 HAL2 0.090000 1.0080 0 8645 AS 6 PET CD1 CAP -0.115000 12.0110 0 8646 AS 6 PET HD1 HP 0.115000 1.0080 0 8647 AS 6 PET CE1 CAP -0.115000 12.0110 0 8648 AS 6 PET HE1 HP 0.115000 1.0080 0 8649 AS 6 PET CD2 CAP -0.115000 12.0110 0 8650 AS 6 PET HD2 HP 0.115000 1.0080 0 8651 AS 6 PET CE2 CAP -0.115000 12.0110 0 8652 AS 6 PET HE2 HP 0.115000 1.0080 0 8653 AS 6 PET CG CAP 0.100000 12.0110 0 8654 AS 6 PET C1 CL 0.630000 12.0110 0 8655 AS 6 PET O11 OBL -0.520000 15.9990 0 8656 AS 6 PET O12 OSL -0.340000 15.9990 0 8657 AS 6 PET C3 CTL2 -0.050000 12.0110 0 8658 AS 6 PET H31 HAL2 0.090000 1.0080 0 8659 AS 6 PET H32 HAL2 0.090000 1.0080 0 8660 AS 6 PET CZ CAP 0.100000 12.0110 0 8661 AS 6 PET C2 CL 0.630000 12.0110 0 8662 AS 6 PET O21 OBL -0.520000 15.9990 0 8663 AS 6 PET O22 OSL -0.340000 15.9990 0 8664 AS 6 PET C4 CTL2 -0.050000 12.0110 0 8665 AS 6 PET H41 HAL2 0.090000 1.0080 0 8666 AS 6 PET H42 HAL2 0.090000 1.0080 0 8667 AS 7 PET CD1 CAP -0.115000 12.0110 0 8668 AS 7 PET HD1 HP 0.115000 1.0080 0 8669 AS 7 PET CE1 CAP -0.115000 12.0110 0 8670 AS 7 PET HE1 HP 0.115000 1.0080 0 8671 AS 7 PET CD2 CAP -0.115000 12.0110 0 8672 AS 7 PET HD2 HP 0.115000 1.0080 0 8673 AS 7 PET CE2 CAP -0.115000 12.0110 0 8674 AS 7 PET HE2 HP 0.115000 1.0080 0 8675 AS 7 PET CG CAP 0.100000 12.0110 0 8676 AS 7 PET C1 CL 0.630000 12.0110 0 8677 AS 7 PET O11 OBL -0.520000 15.9990 0 8678 AS 7 PET O12 OSL -0.340000 15.9990 0 8679 AS 7 PET C3 CTL2 -0.050000 12.0110 0 8680 AS 7 PET H31 HAL2 0.090000 1.0080 0 8681 AS 7 PET H32 HAL2 0.090000 1.0080 0 8682 AS 7 PET CZ CAP 0.100000 12.0110 0 8683 AS 7 PET C2 CL 0.630000 12.0110 0 8684 AS 7 PET O21 OBL -0.520000 15.9990 0 8685 AS 7 PET O22 OSL -0.340000 15.9990 0 8686 AS 7 PET C4 CTL2 -0.050000 12.0110 0 8687 AS 7 PET H41 HAL2 0.090000 1.0080 0 8688 AS 7 PET H42 HAL2 0.090000 1.0080 0 8689 AS 8 PET CD1 CAP -0.115000 12.0110 0 8690 AS 8 PET HD1 HP 0.115000 1.0080 0 8691 AS 8 PET CE1 CAP -0.115000 12.0110 0 8692 AS 8 PET HE1 HP 0.115000 1.0080 0 8693 AS 8 PET CD2 CAP -0.115000 12.0110 0 8694 AS 8 PET HD2 HP 0.115000 1.0080 0 8695 AS 8 PET CE2 CAP -0.115000 12.0110 0 8696 AS 8 PET HE2 HP 0.115000 1.0080 0 8697 AS 8 PET CG CAP 0.100000 12.0110 0 8698 AS 8 PET C1 CL 0.630000 12.0110 0 8699 AS 8 PET O11 OBL -0.520000 15.9990 0 8700 AS 8 PET O12 OSL -0.340000 15.9990 0 8701 AS 8 PET C3 CTL2 -0.050000 12.0110 0 8702 AS 8 PET H31 HAL2 0.090000 1.0080 0 8703 AS 8 PET H32 HAL2 0.090000 1.0080 0 8704 AS 8 PET CZ CAP 0.100000 12.0110 0 8705 AS 8 PET C2 CL 0.630000 12.0110 0 8706 AS 8 PET O21 OBL -0.520000 15.9990 0 8707 AS 8 PET O22 OSL -0.340000 15.9990 0 8708 AS 8 PET C4 CTL2 -0.050000 12.0110 0 8709 AS 8 PET H41 HAL2 0.090000 1.0080 0 8710 AS 8 PET H42 HAL2 0.090000 1.0080 0 8711 AS 9 PET C1 CD 0.750000 12.0110 0 8712 AS 9 PET O11 OB -0.550000 15.9990 0 8713 AS 9 PET O12 OH1 -0.610000 15.9990 0 8714 AS 9 PET CG CAP -0.030000 12.0110 0 8715 AS 9 PET H12 H 0.440000 1.0080 0 8716 AS 9 PET CD1 CAP -0.115000 12.0110 0 8717 AS 9 PET HD1 HP 0.115000 1.0080 0 8718 AS 9 PET CE1 CAP -0.115000 12.0110 0 8719 AS 9 PET HE1 HP 0.115000 1.0080 0 8720 AS 9 PET CD2 CAP -0.115000 12.0110 0 8721 AS 9 PET HD2 HP 0.115000 1.0080 0 8722 AS 9 PET CE2 CAP -0.115000 12.0110 0 8723 AS 9 PET HE2 HP 0.115000 1.0080 0 8724 AS 9 PET CZ CAP 0.100000 12.0110 0 8725 AS 9 PET C2 CL 0.630000 12.0110 0 8726 AS 9 PET O21 OBL -0.520000 15.9990 0 8727 AS 9 PET O22 OSL -0.340000 15.9990 0 8728 AS 9 PET C4 CTL2 -0.050000 12.0110 0 8729 AS 9 PET H41 HAL2 0.090000 1.0080 0 8730 AS 9 PET H42 HAL2 0.090000 1.0080 0 8731 AT 1 PET C2 CD 0.750000 12.0110 0 8732 AT 1 PET O21 OB -0.550000 15.9990 0 8733 AT 1 PET O22 OH1 -0.610000 15.9990 0 8734 AT 1 PET CZ CAP -0.030000 12.0110 0 8735 AT 1 PET H22 H 0.440000 1.0080 0 8736 AT 1 PET CD1 CAP -0.115000 12.0110 0 8737 AT 1 PET HD1 HP 0.115000 1.0080 0 8738 AT 1 PET CE1 CAP -0.115000 12.0110 0 8739 AT 1 PET HE1 HP 0.115000 1.0080 0 8740 AT 1 PET CD2 CAP -0.115000 12.0110 0 8741 AT 1 PET HD2 HP 0.115000 1.0080 0 8742 AT 1 PET CE2 CAP -0.115000 12.0110 0 8743 AT 1 PET HE2 HP 0.115000 1.0080 0 8744 AT 1 PET CG CAP 0.100000 12.0110 0 8745 AT 1 PET C1 CL 0.630000 12.0110 0 8746 AT 1 PET O11 OBL -0.520000 15.9990 0 8747 AT 1 PET O12 OSL -0.340000 15.9990 0 8748 AT 1 PET C3 CTL2 -0.050000 12.0110 0 8749 AT 1 PET H31 HAL2 0.090000 1.0080 0 8750 AT 1 PET H32 HAL2 0.090000 1.0080 0 8751 AT 2 PET CD1 CAP -0.115000 12.0110 0 8752 AT 2 PET HD1 HP 0.115000 1.0080 0 8753 AT 2 PET CE1 CAP -0.115000 12.0110 0 8754 AT 2 PET HE1 HP 0.115000 1.0080 0 8755 AT 2 PET CD2 CAP -0.115000 12.0110 0 8756 AT 2 PET HD2 HP 0.115000 1.0080 0 8757 AT 2 PET CE2 CAP -0.115000 12.0110 0 8758 AT 2 PET HE2 HP 0.115000 1.0080 0 8759 AT 2 PET CG CAP 0.100000 12.0110 0 8760 AT 2 PET C1 CL 0.630000 12.0110 0 8761 AT 2 PET O11 OBL -0.520000 15.9990 0 8762 AT 2 PET O12 OSL -0.340000 15.9990 0 8763 AT 2 PET C3 CTL2 -0.050000 12.0110 0 8764 AT 2 PET H31 HAL2 0.090000 1.0080 0 8765 AT 2 PET H32 HAL2 0.090000 1.0080 0 8766 AT 2 PET CZ CAP 0.100000 12.0110 0 8767 AT 2 PET C2 CL 0.630000 12.0110 0 8768 AT 2 PET O21 OBL -0.520000 15.9990 0 8769 AT 2 PET O22 OSL -0.340000 15.9990 0 8770 AT 2 PET C4 CTL2 -0.050000 12.0110 0 8771 AT 2 PET H41 HAL2 0.090000 1.0080 0 8772 AT 2 PET H42 HAL2 0.090000 1.0080 0 8773 AT 3 PET CD1 CAP -0.115000 12.0110 0 8774 AT 3 PET HD1 HP 0.115000 1.0080 0 8775 AT 3 PET CE1 CAP -0.115000 12.0110 0 8776 AT 3 PET HE1 HP 0.115000 1.0080 0 8777 AT 3 PET CD2 CAP -0.115000 12.0110 0 8778 AT 3 PET HD2 HP 0.115000 1.0080 0 8779 AT 3 PET CE2 CAP -0.115000 12.0110 0 8780 AT 3 PET HE2 HP 0.115000 1.0080 0 8781 AT 3 PET CG CAP 0.100000 12.0110 0 8782 AT 3 PET C1 CL 0.630000 12.0110 0 8783 AT 3 PET O11 OBL -0.520000 15.9990 0 8784 AT 3 PET O12 OSL -0.340000 15.9990 0 8785 AT 3 PET C3 CTL2 -0.050000 12.0110 0 8786 AT 3 PET H31 HAL2 0.090000 1.0080 0 8787 AT 3 PET H32 HAL2 0.090000 1.0080 0 8788 AT 3 PET CZ CAP 0.100000 12.0110 0 8789 AT 3 PET C2 CL 0.630000 12.0110 0 8790 AT 3 PET O21 OBL -0.520000 15.9990 0 8791 AT 3 PET O22 OSL -0.340000 15.9990 0 8792 AT 3 PET C4 CTL2 -0.050000 12.0110 0 8793 AT 3 PET H41 HAL2 0.090000 1.0080 0 8794 AT 3 PET H42 HAL2 0.090000 1.0080 0 8795 AT 4 PET CD1 CAP -0.115000 12.0110 0 8796 AT 4 PET HD1 HP 0.115000 1.0080 0 8797 AT 4 PET CE1 CAP -0.115000 12.0110 0 8798 AT 4 PET HE1 HP 0.115000 1.0080 0 8799 AT 4 PET CD2 CAP -0.115000 12.0110 0 8800 AT 4 PET HD2 HP 0.115000 1.0080 0 8801 AT 4 PET CE2 CAP -0.115000 12.0110 0 8802 AT 4 PET HE2 HP 0.115000 1.0080 0 8803 AT 4 PET CG CAP 0.100000 12.0110 0 8804 AT 4 PET C1 CL 0.630000 12.0110 0 8805 AT 4 PET O11 OBL -0.520000 15.9990 0 8806 AT 4 PET O12 OSL -0.340000 15.9990 0 8807 AT 4 PET C3 CTL2 -0.050000 12.0110 0 8808 AT 4 PET H31 HAL2 0.090000 1.0080 0 8809 AT 4 PET H32 HAL2 0.090000 1.0080 0 8810 AT 4 PET CZ CAP 0.100000 12.0110 0 8811 AT 4 PET C2 CL 0.630000 12.0110 0 8812 AT 4 PET O21 OBL -0.520000 15.9990 0 8813 AT 4 PET O22 OSL -0.340000 15.9990 0 8814 AT 4 PET C4 CTL2 -0.050000 12.0110 0 8815 AT 4 PET H41 HAL2 0.090000 1.0080 0 8816 AT 4 PET H42 HAL2 0.090000 1.0080 0 8817 AT 5 PET CD1 CAP -0.115000 12.0110 0 8818 AT 5 PET HD1 HP 0.115000 1.0080 0 8819 AT 5 PET CE1 CAP -0.115000 12.0110 0 8820 AT 5 PET HE1 HP 0.115000 1.0080 0 8821 AT 5 PET CD2 CAP -0.115000 12.0110 0 8822 AT 5 PET HD2 HP 0.115000 1.0080 0 8823 AT 5 PET CE2 CAP -0.115000 12.0110 0 8824 AT 5 PET HE2 HP 0.115000 1.0080 0 8825 AT 5 PET CG CAP 0.100000 12.0110 0 8826 AT 5 PET C1 CL 0.630000 12.0110 0 8827 AT 5 PET O11 OBL -0.520000 15.9990 0 8828 AT 5 PET O12 OSL -0.340000 15.9990 0 8829 AT 5 PET C3 CTL2 -0.050000 12.0110 0 8830 AT 5 PET H31 HAL2 0.090000 1.0080 0 8831 AT 5 PET H32 HAL2 0.090000 1.0080 0 8832 AT 5 PET CZ CAP 0.100000 12.0110 0 8833 AT 5 PET C2 CL 0.630000 12.0110 0 8834 AT 5 PET O21 OBL -0.520000 15.9990 0 8835 AT 5 PET O22 OSL -0.340000 15.9990 0 8836 AT 5 PET C4 CTL2 -0.050000 12.0110 0 8837 AT 5 PET H41 HAL2 0.090000 1.0080 0 8838 AT 5 PET H42 HAL2 0.090000 1.0080 0 8839 AT 6 PET CD1 CAP -0.115000 12.0110 0 8840 AT 6 PET HD1 HP 0.115000 1.0080 0 8841 AT 6 PET CE1 CAP -0.115000 12.0110 0 8842 AT 6 PET HE1 HP 0.115000 1.0080 0 8843 AT 6 PET CD2 CAP -0.115000 12.0110 0 8844 AT 6 PET HD2 HP 0.115000 1.0080 0 8845 AT 6 PET CE2 CAP -0.115000 12.0110 0 8846 AT 6 PET HE2 HP 0.115000 1.0080 0 8847 AT 6 PET CG CAP 0.100000 12.0110 0 8848 AT 6 PET C1 CL 0.630000 12.0110 0 8849 AT 6 PET O11 OBL -0.520000 15.9990 0 8850 AT 6 PET O12 OSL -0.340000 15.9990 0 8851 AT 6 PET C3 CTL2 -0.050000 12.0110 0 8852 AT 6 PET H31 HAL2 0.090000 1.0080 0 8853 AT 6 PET H32 HAL2 0.090000 1.0080 0 8854 AT 6 PET CZ CAP 0.100000 12.0110 0 8855 AT 6 PET C2 CL 0.630000 12.0110 0 8856 AT 6 PET O21 OBL -0.520000 15.9990 0 8857 AT 6 PET O22 OSL -0.340000 15.9990 0 8858 AT 6 PET C4 CTL2 -0.050000 12.0110 0 8859 AT 6 PET H41 HAL2 0.090000 1.0080 0 8860 AT 6 PET H42 HAL2 0.090000 1.0080 0 8861 AT 7 PET CD1 CAP -0.115000 12.0110 0 8862 AT 7 PET HD1 HP 0.115000 1.0080 0 8863 AT 7 PET CE1 CAP -0.115000 12.0110 0 8864 AT 7 PET HE1 HP 0.115000 1.0080 0 8865 AT 7 PET CD2 CAP -0.115000 12.0110 0 8866 AT 7 PET HD2 HP 0.115000 1.0080 0 8867 AT 7 PET CE2 CAP -0.115000 12.0110 0 8868 AT 7 PET HE2 HP 0.115000 1.0080 0 8869 AT 7 PET CG CAP 0.100000 12.0110 0 8870 AT 7 PET C1 CL 0.630000 12.0110 0 8871 AT 7 PET O11 OBL -0.520000 15.9990 0 8872 AT 7 PET O12 OSL -0.340000 15.9990 0 8873 AT 7 PET C3 CTL2 -0.050000 12.0110 0 8874 AT 7 PET H31 HAL2 0.090000 1.0080 0 8875 AT 7 PET H32 HAL2 0.090000 1.0080 0 8876 AT 7 PET CZ CAP 0.100000 12.0110 0 8877 AT 7 PET C2 CL 0.630000 12.0110 0 8878 AT 7 PET O21 OBL -0.520000 15.9990 0 8879 AT 7 PET O22 OSL -0.340000 15.9990 0 8880 AT 7 PET C4 CTL2 -0.050000 12.0110 0 8881 AT 7 PET H41 HAL2 0.090000 1.0080 0 8882 AT 7 PET H42 HAL2 0.090000 1.0080 0 8883 AT 8 PET CD1 CAP -0.115000 12.0110 0 8884 AT 8 PET HD1 HP 0.115000 1.0080 0 8885 AT 8 PET CE1 CAP -0.115000 12.0110 0 8886 AT 8 PET HE1 HP 0.115000 1.0080 0 8887 AT 8 PET CD2 CAP -0.115000 12.0110 0 8888 AT 8 PET HD2 HP 0.115000 1.0080 0 8889 AT 8 PET CE2 CAP -0.115000 12.0110 0 8890 AT 8 PET HE2 HP 0.115000 1.0080 0 8891 AT 8 PET CG CAP 0.100000 12.0110 0 8892 AT 8 PET C1 CL 0.630000 12.0110 0 8893 AT 8 PET O11 OBL -0.520000 15.9990 0 8894 AT 8 PET O12 OSL -0.340000 15.9990 0 8895 AT 8 PET C3 CTL2 -0.050000 12.0110 0 8896 AT 8 PET H31 HAL2 0.090000 1.0080 0 8897 AT 8 PET H32 HAL2 0.090000 1.0080 0 8898 AT 8 PET CZ CAP 0.100000 12.0110 0 8899 AT 8 PET C2 CL 0.630000 12.0110 0 8900 AT 8 PET O21 OBL -0.520000 15.9990 0 8901 AT 8 PET O22 OSL -0.340000 15.9990 0 8902 AT 8 PET C4 CTL2 -0.050000 12.0110 0 8903 AT 8 PET H41 HAL2 0.090000 1.0080 0 8904 AT 8 PET H42 HAL2 0.090000 1.0080 0 8905 AT 9 PET C1 CD 0.750000 12.0110 0 8906 AT 9 PET O11 OB -0.550000 15.9990 0 8907 AT 9 PET O12 OH1 -0.610000 15.9990 0 8908 AT 9 PET CG CAP -0.030000 12.0110 0 8909 AT 9 PET H12 H 0.440000 1.0080 0 8910 AT 9 PET CD1 CAP -0.115000 12.0110 0 8911 AT 9 PET HD1 HP 0.115000 1.0080 0 8912 AT 9 PET CE1 CAP -0.115000 12.0110 0 8913 AT 9 PET HE1 HP 0.115000 1.0080 0 8914 AT 9 PET CD2 CAP -0.115000 12.0110 0 8915 AT 9 PET HD2 HP 0.115000 1.0080 0 8916 AT 9 PET CE2 CAP -0.115000 12.0110 0 8917 AT 9 PET HE2 HP 0.115000 1.0080 0 8918 AT 9 PET CZ CAP 0.100000 12.0110 0 8919 AT 9 PET C2 CL 0.630000 12.0110 0 8920 AT 9 PET O21 OBL -0.520000 15.9990 0 8921 AT 9 PET O22 OSL -0.340000 15.9990 0 8922 AT 9 PET C4 CTL2 -0.050000 12.0110 0 8923 AT 9 PET H41 HAL2 0.090000 1.0080 0 8924 AT 9 PET H42 HAL2 0.090000 1.0080 0 8925 AU 1 PET C2 CD 0.750000 12.0110 0 8926 AU 1 PET O21 OB -0.550000 15.9990 0 8927 AU 1 PET O22 OH1 -0.610000 15.9990 0 8928 AU 1 PET CZ CAP -0.030000 12.0110 0 8929 AU 1 PET H22 H 0.440000 1.0080 0 8930 AU 1 PET CD1 CAP -0.115000 12.0110 0 8931 AU 1 PET HD1 HP 0.115000 1.0080 0 8932 AU 1 PET CE1 CAP -0.115000 12.0110 0 8933 AU 1 PET HE1 HP 0.115000 1.0080 0 8934 AU 1 PET CD2 CAP -0.115000 12.0110 0 8935 AU 1 PET HD2 HP 0.115000 1.0080 0 8936 AU 1 PET CE2 CAP -0.115000 12.0110 0 8937 AU 1 PET HE2 HP 0.115000 1.0080 0 8938 AU 1 PET CG CAP 0.100000 12.0110 0 8939 AU 1 PET C1 CL 0.630000 12.0110 0 8940 AU 1 PET O11 OBL -0.520000 15.9990 0 8941 AU 1 PET O12 OSL -0.340000 15.9990 0 8942 AU 1 PET C3 CTL2 -0.050000 12.0110 0 8943 AU 1 PET H31 HAL2 0.090000 1.0080 0 8944 AU 1 PET H32 HAL2 0.090000 1.0080 0 8945 AU 2 PET CD1 CAP -0.115000 12.0110 0 8946 AU 2 PET HD1 HP 0.115000 1.0080 0 8947 AU 2 PET CE1 CAP -0.115000 12.0110 0 8948 AU 2 PET HE1 HP 0.115000 1.0080 0 8949 AU 2 PET CD2 CAP -0.115000 12.0110 0 8950 AU 2 PET HD2 HP 0.115000 1.0080 0 8951 AU 2 PET CE2 CAP -0.115000 12.0110 0 8952 AU 2 PET HE2 HP 0.115000 1.0080 0 8953 AU 2 PET CG CAP 0.100000 12.0110 0 8954 AU 2 PET C1 CL 0.630000 12.0110 0 8955 AU 2 PET O11 OBL -0.520000 15.9990 0 8956 AU 2 PET O12 OSL -0.340000 15.9990 0 8957 AU 2 PET C3 CTL2 -0.050000 12.0110 0 8958 AU 2 PET H31 HAL2 0.090000 1.0080 0 8959 AU 2 PET H32 HAL2 0.090000 1.0080 0 8960 AU 2 PET CZ CAP 0.100000 12.0110 0 8961 AU 2 PET C2 CL 0.630000 12.0110 0 8962 AU 2 PET O21 OBL -0.520000 15.9990 0 8963 AU 2 PET O22 OSL -0.340000 15.9990 0 8964 AU 2 PET C4 CTL2 -0.050000 12.0110 0 8965 AU 2 PET H41 HAL2 0.090000 1.0080 0 8966 AU 2 PET H42 HAL2 0.090000 1.0080 0 8967 AU 3 PET CD1 CAP -0.115000 12.0110 0 8968 AU 3 PET HD1 HP 0.115000 1.0080 0 8969 AU 3 PET CE1 CAP -0.115000 12.0110 0 8970 AU 3 PET HE1 HP 0.115000 1.0080 0 8971 AU 3 PET CD2 CAP -0.115000 12.0110 0 8972 AU 3 PET HD2 HP 0.115000 1.0080 0 8973 AU 3 PET CE2 CAP -0.115000 12.0110 0 8974 AU 3 PET HE2 HP 0.115000 1.0080 0 8975 AU 3 PET CG CAP 0.100000 12.0110 0 8976 AU 3 PET C1 CL 0.630000 12.0110 0 8977 AU 3 PET O11 OBL -0.520000 15.9990 0 8978 AU 3 PET O12 OSL -0.340000 15.9990 0 8979 AU 3 PET C3 CTL2 -0.050000 12.0110 0 8980 AU 3 PET H31 HAL2 0.090000 1.0080 0 8981 AU 3 PET H32 HAL2 0.090000 1.0080 0 8982 AU 3 PET CZ CAP 0.100000 12.0110 0 8983 AU 3 PET C2 CL 0.630000 12.0110 0 8984 AU 3 PET O21 OBL -0.520000 15.9990 0 8985 AU 3 PET O22 OSL -0.340000 15.9990 0 8986 AU 3 PET C4 CTL2 -0.050000 12.0110 0 8987 AU 3 PET H41 HAL2 0.090000 1.0080 0 8988 AU 3 PET H42 HAL2 0.090000 1.0080 0 8989 AU 4 PET CD1 CAP -0.115000 12.0110 0 8990 AU 4 PET HD1 HP 0.115000 1.0080 0 8991 AU 4 PET CE1 CAP -0.115000 12.0110 0 8992 AU 4 PET HE1 HP 0.115000 1.0080 0 8993 AU 4 PET CD2 CAP -0.115000 12.0110 0 8994 AU 4 PET HD2 HP 0.115000 1.0080 0 8995 AU 4 PET CE2 CAP -0.115000 12.0110 0 8996 AU 4 PET HE2 HP 0.115000 1.0080 0 8997 AU 4 PET CG CAP 0.100000 12.0110 0 8998 AU 4 PET C1 CL 0.630000 12.0110 0 8999 AU 4 PET O11 OBL -0.520000 15.9990 0 9000 AU 4 PET O12 OSL -0.340000 15.9990 0 9001 AU 4 PET C3 CTL2 -0.050000 12.0110 0 9002 AU 4 PET H31 HAL2 0.090000 1.0080 0 9003 AU 4 PET H32 HAL2 0.090000 1.0080 0 9004 AU 4 PET CZ CAP 0.100000 12.0110 0 9005 AU 4 PET C2 CL 0.630000 12.0110 0 9006 AU 4 PET O21 OBL -0.520000 15.9990 0 9007 AU 4 PET O22 OSL -0.340000 15.9990 0 9008 AU 4 PET C4 CTL2 -0.050000 12.0110 0 9009 AU 4 PET H41 HAL2 0.090000 1.0080 0 9010 AU 4 PET H42 HAL2 0.090000 1.0080 0 9011 AU 5 PET CD1 CAP -0.115000 12.0110 0 9012 AU 5 PET HD1 HP 0.115000 1.0080 0 9013 AU 5 PET CE1 CAP -0.115000 12.0110 0 9014 AU 5 PET HE1 HP 0.115000 1.0080 0 9015 AU 5 PET CD2 CAP -0.115000 12.0110 0 9016 AU 5 PET HD2 HP 0.115000 1.0080 0 9017 AU 5 PET CE2 CAP -0.115000 12.0110 0 9018 AU 5 PET HE2 HP 0.115000 1.0080 0 9019 AU 5 PET CG CAP 0.100000 12.0110 0 9020 AU 5 PET C1 CL 0.630000 12.0110 0 9021 AU 5 PET O11 OBL -0.520000 15.9990 0 9022 AU 5 PET O12 OSL -0.340000 15.9990 0 9023 AU 5 PET C3 CTL2 -0.050000 12.0110 0 9024 AU 5 PET H31 HAL2 0.090000 1.0080 0 9025 AU 5 PET H32 HAL2 0.090000 1.0080 0 9026 AU 5 PET CZ CAP 0.100000 12.0110 0 9027 AU 5 PET C2 CL 0.630000 12.0110 0 9028 AU 5 PET O21 OBL -0.520000 15.9990 0 9029 AU 5 PET O22 OSL -0.340000 15.9990 0 9030 AU 5 PET C4 CTL2 -0.050000 12.0110 0 9031 AU 5 PET H41 HAL2 0.090000 1.0080 0 9032 AU 5 PET H42 HAL2 0.090000 1.0080 0 9033 AU 6 PET CD1 CAP -0.115000 12.0110 0 9034 AU 6 PET HD1 HP 0.115000 1.0080 0 9035 AU 6 PET CE1 CAP -0.115000 12.0110 0 9036 AU 6 PET HE1 HP 0.115000 1.0080 0 9037 AU 6 PET CD2 CAP -0.115000 12.0110 0 9038 AU 6 PET HD2 HP 0.115000 1.0080 0 9039 AU 6 PET CE2 CAP -0.115000 12.0110 0 9040 AU 6 PET HE2 HP 0.115000 1.0080 0 9041 AU 6 PET CG CAP 0.100000 12.0110 0 9042 AU 6 PET C1 CL 0.630000 12.0110 0 9043 AU 6 PET O11 OBL -0.520000 15.9990 0 9044 AU 6 PET O12 OSL -0.340000 15.9990 0 9045 AU 6 PET C3 CTL2 -0.050000 12.0110 0 9046 AU 6 PET H31 HAL2 0.090000 1.0080 0 9047 AU 6 PET H32 HAL2 0.090000 1.0080 0 9048 AU 6 PET CZ CAP 0.100000 12.0110 0 9049 AU 6 PET C2 CL 0.630000 12.0110 0 9050 AU 6 PET O21 OBL -0.520000 15.9990 0 9051 AU 6 PET O22 OSL -0.340000 15.9990 0 9052 AU 6 PET C4 CTL2 -0.050000 12.0110 0 9053 AU 6 PET H41 HAL2 0.090000 1.0080 0 9054 AU 6 PET H42 HAL2 0.090000 1.0080 0 9055 AU 7 PET CD1 CAP -0.115000 12.0110 0 9056 AU 7 PET HD1 HP 0.115000 1.0080 0 9057 AU 7 PET CE1 CAP -0.115000 12.0110 0 9058 AU 7 PET HE1 HP 0.115000 1.0080 0 9059 AU 7 PET CD2 CAP -0.115000 12.0110 0 9060 AU 7 PET HD2 HP 0.115000 1.0080 0 9061 AU 7 PET CE2 CAP -0.115000 12.0110 0 9062 AU 7 PET HE2 HP 0.115000 1.0080 0 9063 AU 7 PET CG CAP 0.100000 12.0110 0 9064 AU 7 PET C1 CL 0.630000 12.0110 0 9065 AU 7 PET O11 OBL -0.520000 15.9990 0 9066 AU 7 PET O12 OSL -0.340000 15.9990 0 9067 AU 7 PET C3 CTL2 -0.050000 12.0110 0 9068 AU 7 PET H31 HAL2 0.090000 1.0080 0 9069 AU 7 PET H32 HAL2 0.090000 1.0080 0 9070 AU 7 PET CZ CAP 0.100000 12.0110 0 9071 AU 7 PET C2 CL 0.630000 12.0110 0 9072 AU 7 PET O21 OBL -0.520000 15.9990 0 9073 AU 7 PET O22 OSL -0.340000 15.9990 0 9074 AU 7 PET C4 CTL2 -0.050000 12.0110 0 9075 AU 7 PET H41 HAL2 0.090000 1.0080 0 9076 AU 7 PET H42 HAL2 0.090000 1.0080 0 9077 AU 8 PET CD1 CAP -0.115000 12.0110 0 9078 AU 8 PET HD1 HP 0.115000 1.0080 0 9079 AU 8 PET CE1 CAP -0.115000 12.0110 0 9080 AU 8 PET HE1 HP 0.115000 1.0080 0 9081 AU 8 PET CD2 CAP -0.115000 12.0110 0 9082 AU 8 PET HD2 HP 0.115000 1.0080 0 9083 AU 8 PET CE2 CAP -0.115000 12.0110 0 9084 AU 8 PET HE2 HP 0.115000 1.0080 0 9085 AU 8 PET CG CAP 0.100000 12.0110 0 9086 AU 8 PET C1 CL 0.630000 12.0110 0 9087 AU 8 PET O11 OBL -0.520000 15.9990 0 9088 AU 8 PET O12 OSL -0.340000 15.9990 0 9089 AU 8 PET C3 CTL2 -0.050000 12.0110 0 9090 AU 8 PET H31 HAL2 0.090000 1.0080 0 9091 AU 8 PET H32 HAL2 0.090000 1.0080 0 9092 AU 8 PET CZ CAP 0.100000 12.0110 0 9093 AU 8 PET C2 CL 0.630000 12.0110 0 9094 AU 8 PET O21 OBL -0.520000 15.9990 0 9095 AU 8 PET O22 OSL -0.340000 15.9990 0 9096 AU 8 PET C4 CTL2 -0.050000 12.0110 0 9097 AU 8 PET H41 HAL2 0.090000 1.0080 0 9098 AU 8 PET H42 HAL2 0.090000 1.0080 0 9099 AU 9 PET C1 CD 0.750000 12.0110 0 9100 AU 9 PET O11 OB -0.550000 15.9990 0 9101 AU 9 PET O12 OH1 -0.610000 15.9990 0 9102 AU 9 PET CG CAP -0.030000 12.0110 0 9103 AU 9 PET H12 H 0.440000 1.0080 0 9104 AU 9 PET CD1 CAP -0.115000 12.0110 0 9105 AU 9 PET HD1 HP 0.115000 1.0080 0 9106 AU 9 PET CE1 CAP -0.115000 12.0110 0 9107 AU 9 PET HE1 HP 0.115000 1.0080 0 9108 AU 9 PET CD2 CAP -0.115000 12.0110 0 9109 AU 9 PET HD2 HP 0.115000 1.0080 0 9110 AU 9 PET CE2 CAP -0.115000 12.0110 0 9111 AU 9 PET HE2 HP 0.115000 1.0080 0 9112 AU 9 PET CZ CAP 0.100000 12.0110 0 9113 AU 9 PET C2 CL 0.630000 12.0110 0 9114 AU 9 PET O21 OBL -0.520000 15.9990 0 9115 AU 9 PET O22 OSL -0.340000 15.9990 0 9116 AU 9 PET C4 CTL2 -0.050000 12.0110 0 9117 AU 9 PET H41 HAL2 0.090000 1.0080 0 9118 AU 9 PET H42 HAL2 0.090000 1.0080 0 9119 AV 1 PET C2 CD 0.750000 12.0110 0 9120 AV 1 PET O21 OB -0.550000 15.9990 0 9121 AV 1 PET O22 OH1 -0.610000 15.9990 0 9122 AV 1 PET CZ CAP -0.030000 12.0110 0 9123 AV 1 PET H22 H 0.440000 1.0080 0 9124 AV 1 PET CD1 CAP -0.115000 12.0110 0 9125 AV 1 PET HD1 HP 0.115000 1.0080 0 9126 AV 1 PET CE1 CAP -0.115000 12.0110 0 9127 AV 1 PET HE1 HP 0.115000 1.0080 0 9128 AV 1 PET CD2 CAP -0.115000 12.0110 0 9129 AV 1 PET HD2 HP 0.115000 1.0080 0 9130 AV 1 PET CE2 CAP -0.115000 12.0110 0 9131 AV 1 PET HE2 HP 0.115000 1.0080 0 9132 AV 1 PET CG CAP 0.100000 12.0110 0 9133 AV 1 PET C1 CL 0.630000 12.0110 0 9134 AV 1 PET O11 OBL -0.520000 15.9990 0 9135 AV 1 PET O12 OSL -0.340000 15.9990 0 9136 AV 1 PET C3 CTL2 -0.050000 12.0110 0 9137 AV 1 PET H31 HAL2 0.090000 1.0080 0 9138 AV 1 PET H32 HAL2 0.090000 1.0080 0 9139 AV 2 PET CD1 CAP -0.115000 12.0110 0 9140 AV 2 PET HD1 HP 0.115000 1.0080 0 9141 AV 2 PET CE1 CAP -0.115000 12.0110 0 9142 AV 2 PET HE1 HP 0.115000 1.0080 0 9143 AV 2 PET CD2 CAP -0.115000 12.0110 0 9144 AV 2 PET HD2 HP 0.115000 1.0080 0 9145 AV 2 PET CE2 CAP -0.115000 12.0110 0 9146 AV 2 PET HE2 HP 0.115000 1.0080 0 9147 AV 2 PET CG CAP 0.100000 12.0110 0 9148 AV 2 PET C1 CL 0.630000 12.0110 0 9149 AV 2 PET O11 OBL -0.520000 15.9990 0 9150 AV 2 PET O12 OSL -0.340000 15.9990 0 9151 AV 2 PET C3 CTL2 -0.050000 12.0110 0 9152 AV 2 PET H31 HAL2 0.090000 1.0080 0 9153 AV 2 PET H32 HAL2 0.090000 1.0080 0 9154 AV 2 PET CZ CAP 0.100000 12.0110 0 9155 AV 2 PET C2 CL 0.630000 12.0110 0 9156 AV 2 PET O21 OBL -0.520000 15.9990 0 9157 AV 2 PET O22 OSL -0.340000 15.9990 0 9158 AV 2 PET C4 CTL2 -0.050000 12.0110 0 9159 AV 2 PET H41 HAL2 0.090000 1.0080 0 9160 AV 2 PET H42 HAL2 0.090000 1.0080 0 9161 AV 3 PET CD1 CAP -0.115000 12.0110 0 9162 AV 3 PET HD1 HP 0.115000 1.0080 0 9163 AV 3 PET CE1 CAP -0.115000 12.0110 0 9164 AV 3 PET HE1 HP 0.115000 1.0080 0 9165 AV 3 PET CD2 CAP -0.115000 12.0110 0 9166 AV 3 PET HD2 HP 0.115000 1.0080 0 9167 AV 3 PET CE2 CAP -0.115000 12.0110 0 9168 AV 3 PET HE2 HP 0.115000 1.0080 0 9169 AV 3 PET CG CAP 0.100000 12.0110 0 9170 AV 3 PET C1 CL 0.630000 12.0110 0 9171 AV 3 PET O11 OBL -0.520000 15.9990 0 9172 AV 3 PET O12 OSL -0.340000 15.9990 0 9173 AV 3 PET C3 CTL2 -0.050000 12.0110 0 9174 AV 3 PET H31 HAL2 0.090000 1.0080 0 9175 AV 3 PET H32 HAL2 0.090000 1.0080 0 9176 AV 3 PET CZ CAP 0.100000 12.0110 0 9177 AV 3 PET C2 CL 0.630000 12.0110 0 9178 AV 3 PET O21 OBL -0.520000 15.9990 0 9179 AV 3 PET O22 OSL -0.340000 15.9990 0 9180 AV 3 PET C4 CTL2 -0.050000 12.0110 0 9181 AV 3 PET H41 HAL2 0.090000 1.0080 0 9182 AV 3 PET H42 HAL2 0.090000 1.0080 0 9183 AV 4 PET CD1 CAP -0.115000 12.0110 0 9184 AV 4 PET HD1 HP 0.115000 1.0080 0 9185 AV 4 PET CE1 CAP -0.115000 12.0110 0 9186 AV 4 PET HE1 HP 0.115000 1.0080 0 9187 AV 4 PET CD2 CAP -0.115000 12.0110 0 9188 AV 4 PET HD2 HP 0.115000 1.0080 0 9189 AV 4 PET CE2 CAP -0.115000 12.0110 0 9190 AV 4 PET HE2 HP 0.115000 1.0080 0 9191 AV 4 PET CG CAP 0.100000 12.0110 0 9192 AV 4 PET C1 CL 0.630000 12.0110 0 9193 AV 4 PET O11 OBL -0.520000 15.9990 0 9194 AV 4 PET O12 OSL -0.340000 15.9990 0 9195 AV 4 PET C3 CTL2 -0.050000 12.0110 0 9196 AV 4 PET H31 HAL2 0.090000 1.0080 0 9197 AV 4 PET H32 HAL2 0.090000 1.0080 0 9198 AV 4 PET CZ CAP 0.100000 12.0110 0 9199 AV 4 PET C2 CL 0.630000 12.0110 0 9200 AV 4 PET O21 OBL -0.520000 15.9990 0 9201 AV 4 PET O22 OSL -0.340000 15.9990 0 9202 AV 4 PET C4 CTL2 -0.050000 12.0110 0 9203 AV 4 PET H41 HAL2 0.090000 1.0080 0 9204 AV 4 PET H42 HAL2 0.090000 1.0080 0 9205 AV 5 PET CD1 CAP -0.115000 12.0110 0 9206 AV 5 PET HD1 HP 0.115000 1.0080 0 9207 AV 5 PET CE1 CAP -0.115000 12.0110 0 9208 AV 5 PET HE1 HP 0.115000 1.0080 0 9209 AV 5 PET CD2 CAP -0.115000 12.0110 0 9210 AV 5 PET HD2 HP 0.115000 1.0080 0 9211 AV 5 PET CE2 CAP -0.115000 12.0110 0 9212 AV 5 PET HE2 HP 0.115000 1.0080 0 9213 AV 5 PET CG CAP 0.100000 12.0110 0 9214 AV 5 PET C1 CL 0.630000 12.0110 0 9215 AV 5 PET O11 OBL -0.520000 15.9990 0 9216 AV 5 PET O12 OSL -0.340000 15.9990 0 9217 AV 5 PET C3 CTL2 -0.050000 12.0110 0 9218 AV 5 PET H31 HAL2 0.090000 1.0080 0 9219 AV 5 PET H32 HAL2 0.090000 1.0080 0 9220 AV 5 PET CZ CAP 0.100000 12.0110 0 9221 AV 5 PET C2 CL 0.630000 12.0110 0 9222 AV 5 PET O21 OBL -0.520000 15.9990 0 9223 AV 5 PET O22 OSL -0.340000 15.9990 0 9224 AV 5 PET C4 CTL2 -0.050000 12.0110 0 9225 AV 5 PET H41 HAL2 0.090000 1.0080 0 9226 AV 5 PET H42 HAL2 0.090000 1.0080 0 9227 AV 6 PET CD1 CAP -0.115000 12.0110 0 9228 AV 6 PET HD1 HP 0.115000 1.0080 0 9229 AV 6 PET CE1 CAP -0.115000 12.0110 0 9230 AV 6 PET HE1 HP 0.115000 1.0080 0 9231 AV 6 PET CD2 CAP -0.115000 12.0110 0 9232 AV 6 PET HD2 HP 0.115000 1.0080 0 9233 AV 6 PET CE2 CAP -0.115000 12.0110 0 9234 AV 6 PET HE2 HP 0.115000 1.0080 0 9235 AV 6 PET CG CAP 0.100000 12.0110 0 9236 AV 6 PET C1 CL 0.630000 12.0110 0 9237 AV 6 PET O11 OBL -0.520000 15.9990 0 9238 AV 6 PET O12 OSL -0.340000 15.9990 0 9239 AV 6 PET C3 CTL2 -0.050000 12.0110 0 9240 AV 6 PET H31 HAL2 0.090000 1.0080 0 9241 AV 6 PET H32 HAL2 0.090000 1.0080 0 9242 AV 6 PET CZ CAP 0.100000 12.0110 0 9243 AV 6 PET C2 CL 0.630000 12.0110 0 9244 AV 6 PET O21 OBL -0.520000 15.9990 0 9245 AV 6 PET O22 OSL -0.340000 15.9990 0 9246 AV 6 PET C4 CTL2 -0.050000 12.0110 0 9247 AV 6 PET H41 HAL2 0.090000 1.0080 0 9248 AV 6 PET H42 HAL2 0.090000 1.0080 0 9249 AV 7 PET CD1 CAP -0.115000 12.0110 0 9250 AV 7 PET HD1 HP 0.115000 1.0080 0 9251 AV 7 PET CE1 CAP -0.115000 12.0110 0 9252 AV 7 PET HE1 HP 0.115000 1.0080 0 9253 AV 7 PET CD2 CAP -0.115000 12.0110 0 9254 AV 7 PET HD2 HP 0.115000 1.0080 0 9255 AV 7 PET CE2 CAP -0.115000 12.0110 0 9256 AV 7 PET HE2 HP 0.115000 1.0080 0 9257 AV 7 PET CG CAP 0.100000 12.0110 0 9258 AV 7 PET C1 CL 0.630000 12.0110 0 9259 AV 7 PET O11 OBL -0.520000 15.9990 0 9260 AV 7 PET O12 OSL -0.340000 15.9990 0 9261 AV 7 PET C3 CTL2 -0.050000 12.0110 0 9262 AV 7 PET H31 HAL2 0.090000 1.0080 0 9263 AV 7 PET H32 HAL2 0.090000 1.0080 0 9264 AV 7 PET CZ CAP 0.100000 12.0110 0 9265 AV 7 PET C2 CL 0.630000 12.0110 0 9266 AV 7 PET O21 OBL -0.520000 15.9990 0 9267 AV 7 PET O22 OSL -0.340000 15.9990 0 9268 AV 7 PET C4 CTL2 -0.050000 12.0110 0 9269 AV 7 PET H41 HAL2 0.090000 1.0080 0 9270 AV 7 PET H42 HAL2 0.090000 1.0080 0 9271 AV 8 PET CD1 CAP -0.115000 12.0110 0 9272 AV 8 PET HD1 HP 0.115000 1.0080 0 9273 AV 8 PET CE1 CAP -0.115000 12.0110 0 9274 AV 8 PET HE1 HP 0.115000 1.0080 0 9275 AV 8 PET CD2 CAP -0.115000 12.0110 0 9276 AV 8 PET HD2 HP 0.115000 1.0080 0 9277 AV 8 PET CE2 CAP -0.115000 12.0110 0 9278 AV 8 PET HE2 HP 0.115000 1.0080 0 9279 AV 8 PET CG CAP 0.100000 12.0110 0 9280 AV 8 PET C1 CL 0.630000 12.0110 0 9281 AV 8 PET O11 OBL -0.520000 15.9990 0 9282 AV 8 PET O12 OSL -0.340000 15.9990 0 9283 AV 8 PET C3 CTL2 -0.050000 12.0110 0 9284 AV 8 PET H31 HAL2 0.090000 1.0080 0 9285 AV 8 PET H32 HAL2 0.090000 1.0080 0 9286 AV 8 PET CZ CAP 0.100000 12.0110 0 9287 AV 8 PET C2 CL 0.630000 12.0110 0 9288 AV 8 PET O21 OBL -0.520000 15.9990 0 9289 AV 8 PET O22 OSL -0.340000 15.9990 0 9290 AV 8 PET C4 CTL2 -0.050000 12.0110 0 9291 AV 8 PET H41 HAL2 0.090000 1.0080 0 9292 AV 8 PET H42 HAL2 0.090000 1.0080 0 9293 AV 9 PET C1 CD 0.750000 12.0110 0 9294 AV 9 PET O11 OB -0.550000 15.9990 0 9295 AV 9 PET O12 OH1 -0.610000 15.9990 0 9296 AV 9 PET CG CAP -0.030000 12.0110 0 9297 AV 9 PET H12 H 0.440000 1.0080 0 9298 AV 9 PET CD1 CAP -0.115000 12.0110 0 9299 AV 9 PET HD1 HP 0.115000 1.0080 0 9300 AV 9 PET CE1 CAP -0.115000 12.0110 0 9301 AV 9 PET HE1 HP 0.115000 1.0080 0 9302 AV 9 PET CD2 CAP -0.115000 12.0110 0 9303 AV 9 PET HD2 HP 0.115000 1.0080 0 9304 AV 9 PET CE2 CAP -0.115000 12.0110 0 9305 AV 9 PET HE2 HP 0.115000 1.0080 0 9306 AV 9 PET CZ CAP 0.100000 12.0110 0 9307 AV 9 PET C2 CL 0.630000 12.0110 0 9308 AV 9 PET O21 OBL -0.520000 15.9990 0 9309 AV 9 PET O22 OSL -0.340000 15.9990 0 9310 AV 9 PET C4 CTL2 -0.050000 12.0110 0 9311 AV 9 PET H41 HAL2 0.090000 1.0080 0 9312 AV 9 PET H42 HAL2 0.090000 1.0080 0 9313 AW 1 PET C2 CD 0.750000 12.0110 0 9314 AW 1 PET O21 OB -0.550000 15.9990 0 9315 AW 1 PET O22 OH1 -0.610000 15.9990 0 9316 AW 1 PET CZ CAP -0.030000 12.0110 0 9317 AW 1 PET H22 H 0.440000 1.0080 0 9318 AW 1 PET CD1 CAP -0.115000 12.0110 0 9319 AW 1 PET HD1 HP 0.115000 1.0080 0 9320 AW 1 PET CE1 CAP -0.115000 12.0110 0 9321 AW 1 PET HE1 HP 0.115000 1.0080 0 9322 AW 1 PET CD2 CAP -0.115000 12.0110 0 9323 AW 1 PET HD2 HP 0.115000 1.0080 0 9324 AW 1 PET CE2 CAP -0.115000 12.0110 0 9325 AW 1 PET HE2 HP 0.115000 1.0080 0 9326 AW 1 PET CG CAP 0.100000 12.0110 0 9327 AW 1 PET C1 CL 0.630000 12.0110 0 9328 AW 1 PET O11 OBL -0.520000 15.9990 0 9329 AW 1 PET O12 OSL -0.340000 15.9990 0 9330 AW 1 PET C3 CTL2 -0.050000 12.0110 0 9331 AW 1 PET H31 HAL2 0.090000 1.0080 0 9332 AW 1 PET H32 HAL2 0.090000 1.0080 0 9333 AW 2 PET CD1 CAP -0.115000 12.0110 0 9334 AW 2 PET HD1 HP 0.115000 1.0080 0 9335 AW 2 PET CE1 CAP -0.115000 12.0110 0 9336 AW 2 PET HE1 HP 0.115000 1.0080 0 9337 AW 2 PET CD2 CAP -0.115000 12.0110 0 9338 AW 2 PET HD2 HP 0.115000 1.0080 0 9339 AW 2 PET CE2 CAP -0.115000 12.0110 0 9340 AW 2 PET HE2 HP 0.115000 1.0080 0 9341 AW 2 PET CG CAP 0.100000 12.0110 0 9342 AW 2 PET C1 CL 0.630000 12.0110 0 9343 AW 2 PET O11 OBL -0.520000 15.9990 0 9344 AW 2 PET O12 OSL -0.340000 15.9990 0 9345 AW 2 PET C3 CTL2 -0.050000 12.0110 0 9346 AW 2 PET H31 HAL2 0.090000 1.0080 0 9347 AW 2 PET H32 HAL2 0.090000 1.0080 0 9348 AW 2 PET CZ CAP 0.100000 12.0110 0 9349 AW 2 PET C2 CL 0.630000 12.0110 0 9350 AW 2 PET O21 OBL -0.520000 15.9990 0 9351 AW 2 PET O22 OSL -0.340000 15.9990 0 9352 AW 2 PET C4 CTL2 -0.050000 12.0110 0 9353 AW 2 PET H41 HAL2 0.090000 1.0080 0 9354 AW 2 PET H42 HAL2 0.090000 1.0080 0 9355 AW 3 PET CD1 CAP -0.115000 12.0110 0 9356 AW 3 PET HD1 HP 0.115000 1.0080 0 9357 AW 3 PET CE1 CAP -0.115000 12.0110 0 9358 AW 3 PET HE1 HP 0.115000 1.0080 0 9359 AW 3 PET CD2 CAP -0.115000 12.0110 0 9360 AW 3 PET HD2 HP 0.115000 1.0080 0 9361 AW 3 PET CE2 CAP -0.115000 12.0110 0 9362 AW 3 PET HE2 HP 0.115000 1.0080 0 9363 AW 3 PET CG CAP 0.100000 12.0110 0 9364 AW 3 PET C1 CL 0.630000 12.0110 0 9365 AW 3 PET O11 OBL -0.520000 15.9990 0 9366 AW 3 PET O12 OSL -0.340000 15.9990 0 9367 AW 3 PET C3 CTL2 -0.050000 12.0110 0 9368 AW 3 PET H31 HAL2 0.090000 1.0080 0 9369 AW 3 PET H32 HAL2 0.090000 1.0080 0 9370 AW 3 PET CZ CAP 0.100000 12.0110 0 9371 AW 3 PET C2 CL 0.630000 12.0110 0 9372 AW 3 PET O21 OBL -0.520000 15.9990 0 9373 AW 3 PET O22 OSL -0.340000 15.9990 0 9374 AW 3 PET C4 CTL2 -0.050000 12.0110 0 9375 AW 3 PET H41 HAL2 0.090000 1.0080 0 9376 AW 3 PET H42 HAL2 0.090000 1.0080 0 9377 AW 4 PET CD1 CAP -0.115000 12.0110 0 9378 AW 4 PET HD1 HP 0.115000 1.0080 0 9379 AW 4 PET CE1 CAP -0.115000 12.0110 0 9380 AW 4 PET HE1 HP 0.115000 1.0080 0 9381 AW 4 PET CD2 CAP -0.115000 12.0110 0 9382 AW 4 PET HD2 HP 0.115000 1.0080 0 9383 AW 4 PET CE2 CAP -0.115000 12.0110 0 9384 AW 4 PET HE2 HP 0.115000 1.0080 0 9385 AW 4 PET CG CAP 0.100000 12.0110 0 9386 AW 4 PET C1 CL 0.630000 12.0110 0 9387 AW 4 PET O11 OBL -0.520000 15.9990 0 9388 AW 4 PET O12 OSL -0.340000 15.9990 0 9389 AW 4 PET C3 CTL2 -0.050000 12.0110 0 9390 AW 4 PET H31 HAL2 0.090000 1.0080 0 9391 AW 4 PET H32 HAL2 0.090000 1.0080 0 9392 AW 4 PET CZ CAP 0.100000 12.0110 0 9393 AW 4 PET C2 CL 0.630000 12.0110 0 9394 AW 4 PET O21 OBL -0.520000 15.9990 0 9395 AW 4 PET O22 OSL -0.340000 15.9990 0 9396 AW 4 PET C4 CTL2 -0.050000 12.0110 0 9397 AW 4 PET H41 HAL2 0.090000 1.0080 0 9398 AW 4 PET H42 HAL2 0.090000 1.0080 0 9399 AW 5 PET CD1 CAP -0.115000 12.0110 0 9400 AW 5 PET HD1 HP 0.115000 1.0080 0 9401 AW 5 PET CE1 CAP -0.115000 12.0110 0 9402 AW 5 PET HE1 HP 0.115000 1.0080 0 9403 AW 5 PET CD2 CAP -0.115000 12.0110 0 9404 AW 5 PET HD2 HP 0.115000 1.0080 0 9405 AW 5 PET CE2 CAP -0.115000 12.0110 0 9406 AW 5 PET HE2 HP 0.115000 1.0080 0 9407 AW 5 PET CG CAP 0.100000 12.0110 0 9408 AW 5 PET C1 CL 0.630000 12.0110 0 9409 AW 5 PET O11 OBL -0.520000 15.9990 0 9410 AW 5 PET O12 OSL -0.340000 15.9990 0 9411 AW 5 PET C3 CTL2 -0.050000 12.0110 0 9412 AW 5 PET H31 HAL2 0.090000 1.0080 0 9413 AW 5 PET H32 HAL2 0.090000 1.0080 0 9414 AW 5 PET CZ CAP 0.100000 12.0110 0 9415 AW 5 PET C2 CL 0.630000 12.0110 0 9416 AW 5 PET O21 OBL -0.520000 15.9990 0 9417 AW 5 PET O22 OSL -0.340000 15.9990 0 9418 AW 5 PET C4 CTL2 -0.050000 12.0110 0 9419 AW 5 PET H41 HAL2 0.090000 1.0080 0 9420 AW 5 PET H42 HAL2 0.090000 1.0080 0 9421 AW 6 PET CD1 CAP -0.115000 12.0110 0 9422 AW 6 PET HD1 HP 0.115000 1.0080 0 9423 AW 6 PET CE1 CAP -0.115000 12.0110 0 9424 AW 6 PET HE1 HP 0.115000 1.0080 0 9425 AW 6 PET CD2 CAP -0.115000 12.0110 0 9426 AW 6 PET HD2 HP 0.115000 1.0080 0 9427 AW 6 PET CE2 CAP -0.115000 12.0110 0 9428 AW 6 PET HE2 HP 0.115000 1.0080 0 9429 AW 6 PET CG CAP 0.100000 12.0110 0 9430 AW 6 PET C1 CL 0.630000 12.0110 0 9431 AW 6 PET O11 OBL -0.520000 15.9990 0 9432 AW 6 PET O12 OSL -0.340000 15.9990 0 9433 AW 6 PET C3 CTL2 -0.050000 12.0110 0 9434 AW 6 PET H31 HAL2 0.090000 1.0080 0 9435 AW 6 PET H32 HAL2 0.090000 1.0080 0 9436 AW 6 PET CZ CAP 0.100000 12.0110 0 9437 AW 6 PET C2 CL 0.630000 12.0110 0 9438 AW 6 PET O21 OBL -0.520000 15.9990 0 9439 AW 6 PET O22 OSL -0.340000 15.9990 0 9440 AW 6 PET C4 CTL2 -0.050000 12.0110 0 9441 AW 6 PET H41 HAL2 0.090000 1.0080 0 9442 AW 6 PET H42 HAL2 0.090000 1.0080 0 9443 AW 7 PET CD1 CAP -0.115000 12.0110 0 9444 AW 7 PET HD1 HP 0.115000 1.0080 0 9445 AW 7 PET CE1 CAP -0.115000 12.0110 0 9446 AW 7 PET HE1 HP 0.115000 1.0080 0 9447 AW 7 PET CD2 CAP -0.115000 12.0110 0 9448 AW 7 PET HD2 HP 0.115000 1.0080 0 9449 AW 7 PET CE2 CAP -0.115000 12.0110 0 9450 AW 7 PET HE2 HP 0.115000 1.0080 0 9451 AW 7 PET CG CAP 0.100000 12.0110 0 9452 AW 7 PET C1 CL 0.630000 12.0110 0 9453 AW 7 PET O11 OBL -0.520000 15.9990 0 9454 AW 7 PET O12 OSL -0.340000 15.9990 0 9455 AW 7 PET C3 CTL2 -0.050000 12.0110 0 9456 AW 7 PET H31 HAL2 0.090000 1.0080 0 9457 AW 7 PET H32 HAL2 0.090000 1.0080 0 9458 AW 7 PET CZ CAP 0.100000 12.0110 0 9459 AW 7 PET C2 CL 0.630000 12.0110 0 9460 AW 7 PET O21 OBL -0.520000 15.9990 0 9461 AW 7 PET O22 OSL -0.340000 15.9990 0 9462 AW 7 PET C4 CTL2 -0.050000 12.0110 0 9463 AW 7 PET H41 HAL2 0.090000 1.0080 0 9464 AW 7 PET H42 HAL2 0.090000 1.0080 0 9465 AW 8 PET CD1 CAP -0.115000 12.0110 0 9466 AW 8 PET HD1 HP 0.115000 1.0080 0 9467 AW 8 PET CE1 CAP -0.115000 12.0110 0 9468 AW 8 PET HE1 HP 0.115000 1.0080 0 9469 AW 8 PET CD2 CAP -0.115000 12.0110 0 9470 AW 8 PET HD2 HP 0.115000 1.0080 0 9471 AW 8 PET CE2 CAP -0.115000 12.0110 0 9472 AW 8 PET HE2 HP 0.115000 1.0080 0 9473 AW 8 PET CG CAP 0.100000 12.0110 0 9474 AW 8 PET C1 CL 0.630000 12.0110 0 9475 AW 8 PET O11 OBL -0.520000 15.9990 0 9476 AW 8 PET O12 OSL -0.340000 15.9990 0 9477 AW 8 PET C3 CTL2 -0.050000 12.0110 0 9478 AW 8 PET H31 HAL2 0.090000 1.0080 0 9479 AW 8 PET H32 HAL2 0.090000 1.0080 0 9480 AW 8 PET CZ CAP 0.100000 12.0110 0 9481 AW 8 PET C2 CL 0.630000 12.0110 0 9482 AW 8 PET O21 OBL -0.520000 15.9990 0 9483 AW 8 PET O22 OSL -0.340000 15.9990 0 9484 AW 8 PET C4 CTL2 -0.050000 12.0110 0 9485 AW 8 PET H41 HAL2 0.090000 1.0080 0 9486 AW 8 PET H42 HAL2 0.090000 1.0080 0 9487 AW 9 PET C1 CD 0.750000 12.0110 0 9488 AW 9 PET O11 OB -0.550000 15.9990 0 9489 AW 9 PET O12 OH1 -0.610000 15.9990 0 9490 AW 9 PET CG CAP -0.030000 12.0110 0 9491 AW 9 PET H12 H 0.440000 1.0080 0 9492 AW 9 PET CD1 CAP -0.115000 12.0110 0 9493 AW 9 PET HD1 HP 0.115000 1.0080 0 9494 AW 9 PET CE1 CAP -0.115000 12.0110 0 9495 AW 9 PET HE1 HP 0.115000 1.0080 0 9496 AW 9 PET CD2 CAP -0.115000 12.0110 0 9497 AW 9 PET HD2 HP 0.115000 1.0080 0 9498 AW 9 PET CE2 CAP -0.115000 12.0110 0 9499 AW 9 PET HE2 HP 0.115000 1.0080 0 9500 AW 9 PET CZ CAP 0.100000 12.0110 0 9501 AW 9 PET C2 CL 0.630000 12.0110 0 9502 AW 9 PET O21 OBL -0.520000 15.9990 0 9503 AW 9 PET O22 OSL -0.340000 15.9990 0 9504 AW 9 PET C4 CTL2 -0.050000 12.0110 0 9505 AW 9 PET H41 HAL2 0.090000 1.0080 0 9506 AW 9 PET H42 HAL2 0.090000 1.0080 0 9507 AX 1 PET C2 CD 0.750000 12.0110 0 9508 AX 1 PET O21 OB -0.550000 15.9990 0 9509 AX 1 PET O22 OH1 -0.610000 15.9990 0 9510 AX 1 PET CZ CAP -0.030000 12.0110 0 9511 AX 1 PET H22 H 0.440000 1.0080 0 9512 AX 1 PET CD1 CAP -0.115000 12.0110 0 9513 AX 1 PET HD1 HP 0.115000 1.0080 0 9514 AX 1 PET CE1 CAP -0.115000 12.0110 0 9515 AX 1 PET HE1 HP 0.115000 1.0080 0 9516 AX 1 PET CD2 CAP -0.115000 12.0110 0 9517 AX 1 PET HD2 HP 0.115000 1.0080 0 9518 AX 1 PET CE2 CAP -0.115000 12.0110 0 9519 AX 1 PET HE2 HP 0.115000 1.0080 0 9520 AX 1 PET CG CAP 0.100000 12.0110 0 9521 AX 1 PET C1 CL 0.630000 12.0110 0 9522 AX 1 PET O11 OBL -0.520000 15.9990 0 9523 AX 1 PET O12 OSL -0.340000 15.9990 0 9524 AX 1 PET C3 CTL2 -0.050000 12.0110 0 9525 AX 1 PET H31 HAL2 0.090000 1.0080 0 9526 AX 1 PET H32 HAL2 0.090000 1.0080 0 9527 AX 2 PET CD1 CAP -0.115000 12.0110 0 9528 AX 2 PET HD1 HP 0.115000 1.0080 0 9529 AX 2 PET CE1 CAP -0.115000 12.0110 0 9530 AX 2 PET HE1 HP 0.115000 1.0080 0 9531 AX 2 PET CD2 CAP -0.115000 12.0110 0 9532 AX 2 PET HD2 HP 0.115000 1.0080 0 9533 AX 2 PET CE2 CAP -0.115000 12.0110 0 9534 AX 2 PET HE2 HP 0.115000 1.0080 0 9535 AX 2 PET CG CAP 0.100000 12.0110 0 9536 AX 2 PET C1 CL 0.630000 12.0110 0 9537 AX 2 PET O11 OBL -0.520000 15.9990 0 9538 AX 2 PET O12 OSL -0.340000 15.9990 0 9539 AX 2 PET C3 CTL2 -0.050000 12.0110 0 9540 AX 2 PET H31 HAL2 0.090000 1.0080 0 9541 AX 2 PET H32 HAL2 0.090000 1.0080 0 9542 AX 2 PET CZ CAP 0.100000 12.0110 0 9543 AX 2 PET C2 CL 0.630000 12.0110 0 9544 AX 2 PET O21 OBL -0.520000 15.9990 0 9545 AX 2 PET O22 OSL -0.340000 15.9990 0 9546 AX 2 PET C4 CTL2 -0.050000 12.0110 0 9547 AX 2 PET H41 HAL2 0.090000 1.0080 0 9548 AX 2 PET H42 HAL2 0.090000 1.0080 0 9549 AX 3 PET CD1 CAP -0.115000 12.0110 0 9550 AX 3 PET HD1 HP 0.115000 1.0080 0 9551 AX 3 PET CE1 CAP -0.115000 12.0110 0 9552 AX 3 PET HE1 HP 0.115000 1.0080 0 9553 AX 3 PET CD2 CAP -0.115000 12.0110 0 9554 AX 3 PET HD2 HP 0.115000 1.0080 0 9555 AX 3 PET CE2 CAP -0.115000 12.0110 0 9556 AX 3 PET HE2 HP 0.115000 1.0080 0 9557 AX 3 PET CG CAP 0.100000 12.0110 0 9558 AX 3 PET C1 CL 0.630000 12.0110 0 9559 AX 3 PET O11 OBL -0.520000 15.9990 0 9560 AX 3 PET O12 OSL -0.340000 15.9990 0 9561 AX 3 PET C3 CTL2 -0.050000 12.0110 0 9562 AX 3 PET H31 HAL2 0.090000 1.0080 0 9563 AX 3 PET H32 HAL2 0.090000 1.0080 0 9564 AX 3 PET CZ CAP 0.100000 12.0110 0 9565 AX 3 PET C2 CL 0.630000 12.0110 0 9566 AX 3 PET O21 OBL -0.520000 15.9990 0 9567 AX 3 PET O22 OSL -0.340000 15.9990 0 9568 AX 3 PET C4 CTL2 -0.050000 12.0110 0 9569 AX 3 PET H41 HAL2 0.090000 1.0080 0 9570 AX 3 PET H42 HAL2 0.090000 1.0080 0 9571 AX 4 PET CD1 CAP -0.115000 12.0110 0 9572 AX 4 PET HD1 HP 0.115000 1.0080 0 9573 AX 4 PET CE1 CAP -0.115000 12.0110 0 9574 AX 4 PET HE1 HP 0.115000 1.0080 0 9575 AX 4 PET CD2 CAP -0.115000 12.0110 0 9576 AX 4 PET HD2 HP 0.115000 1.0080 0 9577 AX 4 PET CE2 CAP -0.115000 12.0110 0 9578 AX 4 PET HE2 HP 0.115000 1.0080 0 9579 AX 4 PET CG CAP 0.100000 12.0110 0 9580 AX 4 PET C1 CL 0.630000 12.0110 0 9581 AX 4 PET O11 OBL -0.520000 15.9990 0 9582 AX 4 PET O12 OSL -0.340000 15.9990 0 9583 AX 4 PET C3 CTL2 -0.050000 12.0110 0 9584 AX 4 PET H31 HAL2 0.090000 1.0080 0 9585 AX 4 PET H32 HAL2 0.090000 1.0080 0 9586 AX 4 PET CZ CAP 0.100000 12.0110 0 9587 AX 4 PET C2 CL 0.630000 12.0110 0 9588 AX 4 PET O21 OBL -0.520000 15.9990 0 9589 AX 4 PET O22 OSL -0.340000 15.9990 0 9590 AX 4 PET C4 CTL2 -0.050000 12.0110 0 9591 AX 4 PET H41 HAL2 0.090000 1.0080 0 9592 AX 4 PET H42 HAL2 0.090000 1.0080 0 9593 AX 5 PET CD1 CAP -0.115000 12.0110 0 9594 AX 5 PET HD1 HP 0.115000 1.0080 0 9595 AX 5 PET CE1 CAP -0.115000 12.0110 0 9596 AX 5 PET HE1 HP 0.115000 1.0080 0 9597 AX 5 PET CD2 CAP -0.115000 12.0110 0 9598 AX 5 PET HD2 HP 0.115000 1.0080 0 9599 AX 5 PET CE2 CAP -0.115000 12.0110 0 9600 AX 5 PET HE2 HP 0.115000 1.0080 0 9601 AX 5 PET CG CAP 0.100000 12.0110 0 9602 AX 5 PET C1 CL 0.630000 12.0110 0 9603 AX 5 PET O11 OBL -0.520000 15.9990 0 9604 AX 5 PET O12 OSL -0.340000 15.9990 0 9605 AX 5 PET C3 CTL2 -0.050000 12.0110 0 9606 AX 5 PET H31 HAL2 0.090000 1.0080 0 9607 AX 5 PET H32 HAL2 0.090000 1.0080 0 9608 AX 5 PET CZ CAP 0.100000 12.0110 0 9609 AX 5 PET C2 CL 0.630000 12.0110 0 9610 AX 5 PET O21 OBL -0.520000 15.9990 0 9611 AX 5 PET O22 OSL -0.340000 15.9990 0 9612 AX 5 PET C4 CTL2 -0.050000 12.0110 0 9613 AX 5 PET H41 HAL2 0.090000 1.0080 0 9614 AX 5 PET H42 HAL2 0.090000 1.0080 0 9615 AX 6 PET CD1 CAP -0.115000 12.0110 0 9616 AX 6 PET HD1 HP 0.115000 1.0080 0 9617 AX 6 PET CE1 CAP -0.115000 12.0110 0 9618 AX 6 PET HE1 HP 0.115000 1.0080 0 9619 AX 6 PET CD2 CAP -0.115000 12.0110 0 9620 AX 6 PET HD2 HP 0.115000 1.0080 0 9621 AX 6 PET CE2 CAP -0.115000 12.0110 0 9622 AX 6 PET HE2 HP 0.115000 1.0080 0 9623 AX 6 PET CG CAP 0.100000 12.0110 0 9624 AX 6 PET C1 CL 0.630000 12.0110 0 9625 AX 6 PET O11 OBL -0.520000 15.9990 0 9626 AX 6 PET O12 OSL -0.340000 15.9990 0 9627 AX 6 PET C3 CTL2 -0.050000 12.0110 0 9628 AX 6 PET H31 HAL2 0.090000 1.0080 0 9629 AX 6 PET H32 HAL2 0.090000 1.0080 0 9630 AX 6 PET CZ CAP 0.100000 12.0110 0 9631 AX 6 PET C2 CL 0.630000 12.0110 0 9632 AX 6 PET O21 OBL -0.520000 15.9990 0 9633 AX 6 PET O22 OSL -0.340000 15.9990 0 9634 AX 6 PET C4 CTL2 -0.050000 12.0110 0 9635 AX 6 PET H41 HAL2 0.090000 1.0080 0 9636 AX 6 PET H42 HAL2 0.090000 1.0080 0 9637 AX 7 PET CD1 CAP -0.115000 12.0110 0 9638 AX 7 PET HD1 HP 0.115000 1.0080 0 9639 AX 7 PET CE1 CAP -0.115000 12.0110 0 9640 AX 7 PET HE1 HP 0.115000 1.0080 0 9641 AX 7 PET CD2 CAP -0.115000 12.0110 0 9642 AX 7 PET HD2 HP 0.115000 1.0080 0 9643 AX 7 PET CE2 CAP -0.115000 12.0110 0 9644 AX 7 PET HE2 HP 0.115000 1.0080 0 9645 AX 7 PET CG CAP 0.100000 12.0110 0 9646 AX 7 PET C1 CL 0.630000 12.0110 0 9647 AX 7 PET O11 OBL -0.520000 15.9990 0 9648 AX 7 PET O12 OSL -0.340000 15.9990 0 9649 AX 7 PET C3 CTL2 -0.050000 12.0110 0 9650 AX 7 PET H31 HAL2 0.090000 1.0080 0 9651 AX 7 PET H32 HAL2 0.090000 1.0080 0 9652 AX 7 PET CZ CAP 0.100000 12.0110 0 9653 AX 7 PET C2 CL 0.630000 12.0110 0 9654 AX 7 PET O21 OBL -0.520000 15.9990 0 9655 AX 7 PET O22 OSL -0.340000 15.9990 0 9656 AX 7 PET C4 CTL2 -0.050000 12.0110 0 9657 AX 7 PET H41 HAL2 0.090000 1.0080 0 9658 AX 7 PET H42 HAL2 0.090000 1.0080 0 9659 AX 8 PET CD1 CAP -0.115000 12.0110 0 9660 AX 8 PET HD1 HP 0.115000 1.0080 0 9661 AX 8 PET CE1 CAP -0.115000 12.0110 0 9662 AX 8 PET HE1 HP 0.115000 1.0080 0 9663 AX 8 PET CD2 CAP -0.115000 12.0110 0 9664 AX 8 PET HD2 HP 0.115000 1.0080 0 9665 AX 8 PET CE2 CAP -0.115000 12.0110 0 9666 AX 8 PET HE2 HP 0.115000 1.0080 0 9667 AX 8 PET CG CAP 0.100000 12.0110 0 9668 AX 8 PET C1 CL 0.630000 12.0110 0 9669 AX 8 PET O11 OBL -0.520000 15.9990 0 9670 AX 8 PET O12 OSL -0.340000 15.9990 0 9671 AX 8 PET C3 CTL2 -0.050000 12.0110 0 9672 AX 8 PET H31 HAL2 0.090000 1.0080 0 9673 AX 8 PET H32 HAL2 0.090000 1.0080 0 9674 AX 8 PET CZ CAP 0.100000 12.0110 0 9675 AX 8 PET C2 CL 0.630000 12.0110 0 9676 AX 8 PET O21 OBL -0.520000 15.9990 0 9677 AX 8 PET O22 OSL -0.340000 15.9990 0 9678 AX 8 PET C4 CTL2 -0.050000 12.0110 0 9679 AX 8 PET H41 HAL2 0.090000 1.0080 0 9680 AX 8 PET H42 HAL2 0.090000 1.0080 0 9681 AX 9 PET C1 CD 0.750000 12.0110 0 9682 AX 9 PET O11 OB -0.550000 15.9990 0 9683 AX 9 PET O12 OH1 -0.610000 15.9990 0 9684 AX 9 PET CG CAP -0.030000 12.0110 0 9685 AX 9 PET H12 H 0.440000 1.0080 0 9686 AX 9 PET CD1 CAP -0.115000 12.0110 0 9687 AX 9 PET HD1 HP 0.115000 1.0080 0 9688 AX 9 PET CE1 CAP -0.115000 12.0110 0 9689 AX 9 PET HE1 HP 0.115000 1.0080 0 9690 AX 9 PET CD2 CAP -0.115000 12.0110 0 9691 AX 9 PET HD2 HP 0.115000 1.0080 0 9692 AX 9 PET CE2 CAP -0.115000 12.0110 0 9693 AX 9 PET HE2 HP 0.115000 1.0080 0 9694 AX 9 PET CZ CAP 0.100000 12.0110 0 9695 AX 9 PET C2 CL 0.630000 12.0110 0 9696 AX 9 PET O21 OBL -0.520000 15.9990 0 9697 AX 9 PET O22 OSL -0.340000 15.9990 0 9698 AX 9 PET C4 CTL2 -0.050000 12.0110 0 9699 AX 9 PET H41 HAL2 0.090000 1.0080 0 9700 AX 9 PET H42 HAL2 0.090000 1.0080 0 9701 AY 1 PET C2 CD 0.750000 12.0110 0 9702 AY 1 PET O21 OB -0.550000 15.9990 0 9703 AY 1 PET O22 OH1 -0.610000 15.9990 0 9704 AY 1 PET CZ CAP -0.030000 12.0110 0 9705 AY 1 PET H22 H 0.440000 1.0080 0 9706 AY 1 PET CD1 CAP -0.115000 12.0110 0 9707 AY 1 PET HD1 HP 0.115000 1.0080 0 9708 AY 1 PET CE1 CAP -0.115000 12.0110 0 9709 AY 1 PET HE1 HP 0.115000 1.0080 0 9710 AY 1 PET CD2 CAP -0.115000 12.0110 0 9711 AY 1 PET HD2 HP 0.115000 1.0080 0 9712 AY 1 PET CE2 CAP -0.115000 12.0110 0 9713 AY 1 PET HE2 HP 0.115000 1.0080 0 9714 AY 1 PET CG CAP 0.100000 12.0110 0 9715 AY 1 PET C1 CL 0.630000 12.0110 0 9716 AY 1 PET O11 OBL -0.520000 15.9990 0 9717 AY 1 PET O12 OSL -0.340000 15.9990 0 9718 AY 1 PET C3 CTL2 -0.050000 12.0110 0 9719 AY 1 PET H31 HAL2 0.090000 1.0080 0 9720 AY 1 PET H32 HAL2 0.090000 1.0080 0 9721 AY 2 PET CD1 CAP -0.115000 12.0110 0 9722 AY 2 PET HD1 HP 0.115000 1.0080 0 9723 AY 2 PET CE1 CAP -0.115000 12.0110 0 9724 AY 2 PET HE1 HP 0.115000 1.0080 0 9725 AY 2 PET CD2 CAP -0.115000 12.0110 0 9726 AY 2 PET HD2 HP 0.115000 1.0080 0 9727 AY 2 PET CE2 CAP -0.115000 12.0110 0 9728 AY 2 PET HE2 HP 0.115000 1.0080 0 9729 AY 2 PET CG CAP 0.100000 12.0110 0 9730 AY 2 PET C1 CL 0.630000 12.0110 0 9731 AY 2 PET O11 OBL -0.520000 15.9990 0 9732 AY 2 PET O12 OSL -0.340000 15.9990 0 9733 AY 2 PET C3 CTL2 -0.050000 12.0110 0 9734 AY 2 PET H31 HAL2 0.090000 1.0080 0 9735 AY 2 PET H32 HAL2 0.090000 1.0080 0 9736 AY 2 PET CZ CAP 0.100000 12.0110 0 9737 AY 2 PET C2 CL 0.630000 12.0110 0 9738 AY 2 PET O21 OBL -0.520000 15.9990 0 9739 AY 2 PET O22 OSL -0.340000 15.9990 0 9740 AY 2 PET C4 CTL2 -0.050000 12.0110 0 9741 AY 2 PET H41 HAL2 0.090000 1.0080 0 9742 AY 2 PET H42 HAL2 0.090000 1.0080 0 9743 AY 3 PET CD1 CAP -0.115000 12.0110 0 9744 AY 3 PET HD1 HP 0.115000 1.0080 0 9745 AY 3 PET CE1 CAP -0.115000 12.0110 0 9746 AY 3 PET HE1 HP 0.115000 1.0080 0 9747 AY 3 PET CD2 CAP -0.115000 12.0110 0 9748 AY 3 PET HD2 HP 0.115000 1.0080 0 9749 AY 3 PET CE2 CAP -0.115000 12.0110 0 9750 AY 3 PET HE2 HP 0.115000 1.0080 0 9751 AY 3 PET CG CAP 0.100000 12.0110 0 9752 AY 3 PET C1 CL 0.630000 12.0110 0 9753 AY 3 PET O11 OBL -0.520000 15.9990 0 9754 AY 3 PET O12 OSL -0.340000 15.9990 0 9755 AY 3 PET C3 CTL2 -0.050000 12.0110 0 9756 AY 3 PET H31 HAL2 0.090000 1.0080 0 9757 AY 3 PET H32 HAL2 0.090000 1.0080 0 9758 AY 3 PET CZ CAP 0.100000 12.0110 0 9759 AY 3 PET C2 CL 0.630000 12.0110 0 9760 AY 3 PET O21 OBL -0.520000 15.9990 0 9761 AY 3 PET O22 OSL -0.340000 15.9990 0 9762 AY 3 PET C4 CTL2 -0.050000 12.0110 0 9763 AY 3 PET H41 HAL2 0.090000 1.0080 0 9764 AY 3 PET H42 HAL2 0.090000 1.0080 0 9765 AY 4 PET CD1 CAP -0.115000 12.0110 0 9766 AY 4 PET HD1 HP 0.115000 1.0080 0 9767 AY 4 PET CE1 CAP -0.115000 12.0110 0 9768 AY 4 PET HE1 HP 0.115000 1.0080 0 9769 AY 4 PET CD2 CAP -0.115000 12.0110 0 9770 AY 4 PET HD2 HP 0.115000 1.0080 0 9771 AY 4 PET CE2 CAP -0.115000 12.0110 0 9772 AY 4 PET HE2 HP 0.115000 1.0080 0 9773 AY 4 PET CG CAP 0.100000 12.0110 0 9774 AY 4 PET C1 CL 0.630000 12.0110 0 9775 AY 4 PET O11 OBL -0.520000 15.9990 0 9776 AY 4 PET O12 OSL -0.340000 15.9990 0 9777 AY 4 PET C3 CTL2 -0.050000 12.0110 0 9778 AY 4 PET H31 HAL2 0.090000 1.0080 0 9779 AY 4 PET H32 HAL2 0.090000 1.0080 0 9780 AY 4 PET CZ CAP 0.100000 12.0110 0 9781 AY 4 PET C2 CL 0.630000 12.0110 0 9782 AY 4 PET O21 OBL -0.520000 15.9990 0 9783 AY 4 PET O22 OSL -0.340000 15.9990 0 9784 AY 4 PET C4 CTL2 -0.050000 12.0110 0 9785 AY 4 PET H41 HAL2 0.090000 1.0080 0 9786 AY 4 PET H42 HAL2 0.090000 1.0080 0 9787 AY 5 PET CD1 CAP -0.115000 12.0110 0 9788 AY 5 PET HD1 HP 0.115000 1.0080 0 9789 AY 5 PET CE1 CAP -0.115000 12.0110 0 9790 AY 5 PET HE1 HP 0.115000 1.0080 0 9791 AY 5 PET CD2 CAP -0.115000 12.0110 0 9792 AY 5 PET HD2 HP 0.115000 1.0080 0 9793 AY 5 PET CE2 CAP -0.115000 12.0110 0 9794 AY 5 PET HE2 HP 0.115000 1.0080 0 9795 AY 5 PET CG CAP 0.100000 12.0110 0 9796 AY 5 PET C1 CL 0.630000 12.0110 0 9797 AY 5 PET O11 OBL -0.520000 15.9990 0 9798 AY 5 PET O12 OSL -0.340000 15.9990 0 9799 AY 5 PET C3 CTL2 -0.050000 12.0110 0 9800 AY 5 PET H31 HAL2 0.090000 1.0080 0 9801 AY 5 PET H32 HAL2 0.090000 1.0080 0 9802 AY 5 PET CZ CAP 0.100000 12.0110 0 9803 AY 5 PET C2 CL 0.630000 12.0110 0 9804 AY 5 PET O21 OBL -0.520000 15.9990 0 9805 AY 5 PET O22 OSL -0.340000 15.9990 0 9806 AY 5 PET C4 CTL2 -0.050000 12.0110 0 9807 AY 5 PET H41 HAL2 0.090000 1.0080 0 9808 AY 5 PET H42 HAL2 0.090000 1.0080 0 9809 AY 6 PET CD1 CAP -0.115000 12.0110 0 9810 AY 6 PET HD1 HP 0.115000 1.0080 0 9811 AY 6 PET CE1 CAP -0.115000 12.0110 0 9812 AY 6 PET HE1 HP 0.115000 1.0080 0 9813 AY 6 PET CD2 CAP -0.115000 12.0110 0 9814 AY 6 PET HD2 HP 0.115000 1.0080 0 9815 AY 6 PET CE2 CAP -0.115000 12.0110 0 9816 AY 6 PET HE2 HP 0.115000 1.0080 0 9817 AY 6 PET CG CAP 0.100000 12.0110 0 9818 AY 6 PET C1 CL 0.630000 12.0110 0 9819 AY 6 PET O11 OBL -0.520000 15.9990 0 9820 AY 6 PET O12 OSL -0.340000 15.9990 0 9821 AY 6 PET C3 CTL2 -0.050000 12.0110 0 9822 AY 6 PET H31 HAL2 0.090000 1.0080 0 9823 AY 6 PET H32 HAL2 0.090000 1.0080 0 9824 AY 6 PET CZ CAP 0.100000 12.0110 0 9825 AY 6 PET C2 CL 0.630000 12.0110 0 9826 AY 6 PET O21 OBL -0.520000 15.9990 0 9827 AY 6 PET O22 OSL -0.340000 15.9990 0 9828 AY 6 PET C4 CTL2 -0.050000 12.0110 0 9829 AY 6 PET H41 HAL2 0.090000 1.0080 0 9830 AY 6 PET H42 HAL2 0.090000 1.0080 0 9831 AY 7 PET CD1 CAP -0.115000 12.0110 0 9832 AY 7 PET HD1 HP 0.115000 1.0080 0 9833 AY 7 PET CE1 CAP -0.115000 12.0110 0 9834 AY 7 PET HE1 HP 0.115000 1.0080 0 9835 AY 7 PET CD2 CAP -0.115000 12.0110 0 9836 AY 7 PET HD2 HP 0.115000 1.0080 0 9837 AY 7 PET CE2 CAP -0.115000 12.0110 0 9838 AY 7 PET HE2 HP 0.115000 1.0080 0 9839 AY 7 PET CG CAP 0.100000 12.0110 0 9840 AY 7 PET C1 CL 0.630000 12.0110 0 9841 AY 7 PET O11 OBL -0.520000 15.9990 0 9842 AY 7 PET O12 OSL -0.340000 15.9990 0 9843 AY 7 PET C3 CTL2 -0.050000 12.0110 0 9844 AY 7 PET H31 HAL2 0.090000 1.0080 0 9845 AY 7 PET H32 HAL2 0.090000 1.0080 0 9846 AY 7 PET CZ CAP 0.100000 12.0110 0 9847 AY 7 PET C2 CL 0.630000 12.0110 0 9848 AY 7 PET O21 OBL -0.520000 15.9990 0 9849 AY 7 PET O22 OSL -0.340000 15.9990 0 9850 AY 7 PET C4 CTL2 -0.050000 12.0110 0 9851 AY 7 PET H41 HAL2 0.090000 1.0080 0 9852 AY 7 PET H42 HAL2 0.090000 1.0080 0 9853 AY 8 PET CD1 CAP -0.115000 12.0110 0 9854 AY 8 PET HD1 HP 0.115000 1.0080 0 9855 AY 8 PET CE1 CAP -0.115000 12.0110 0 9856 AY 8 PET HE1 HP 0.115000 1.0080 0 9857 AY 8 PET CD2 CAP -0.115000 12.0110 0 9858 AY 8 PET HD2 HP 0.115000 1.0080 0 9859 AY 8 PET CE2 CAP -0.115000 12.0110 0 9860 AY 8 PET HE2 HP 0.115000 1.0080 0 9861 AY 8 PET CG CAP 0.100000 12.0110 0 9862 AY 8 PET C1 CL 0.630000 12.0110 0 9863 AY 8 PET O11 OBL -0.520000 15.9990 0 9864 AY 8 PET O12 OSL -0.340000 15.9990 0 9865 AY 8 PET C3 CTL2 -0.050000 12.0110 0 9866 AY 8 PET H31 HAL2 0.090000 1.0080 0 9867 AY 8 PET H32 HAL2 0.090000 1.0080 0 9868 AY 8 PET CZ CAP 0.100000 12.0110 0 9869 AY 8 PET C2 CL 0.630000 12.0110 0 9870 AY 8 PET O21 OBL -0.520000 15.9990 0 9871 AY 8 PET O22 OSL -0.340000 15.9990 0 9872 AY 8 PET C4 CTL2 -0.050000 12.0110 0 9873 AY 8 PET H41 HAL2 0.090000 1.0080 0 9874 AY 8 PET H42 HAL2 0.090000 1.0080 0 9875 AY 9 PET C1 CD 0.750000 12.0110 0 9876 AY 9 PET O11 OB -0.550000 15.9990 0 9877 AY 9 PET O12 OH1 -0.610000 15.9990 0 9878 AY 9 PET CG CAP -0.030000 12.0110 0 9879 AY 9 PET H12 H 0.440000 1.0080 0 9880 AY 9 PET CD1 CAP -0.115000 12.0110 0 9881 AY 9 PET HD1 HP 0.115000 1.0080 0 9882 AY 9 PET CE1 CAP -0.115000 12.0110 0 9883 AY 9 PET HE1 HP 0.115000 1.0080 0 9884 AY 9 PET CD2 CAP -0.115000 12.0110 0 9885 AY 9 PET HD2 HP 0.115000 1.0080 0 9886 AY 9 PET CE2 CAP -0.115000 12.0110 0 9887 AY 9 PET HE2 HP 0.115000 1.0080 0 9888 AY 9 PET CZ CAP 0.100000 12.0110 0 9889 AY 9 PET C2 CL 0.630000 12.0110 0 9890 AY 9 PET O21 OBL -0.520000 15.9990 0 9891 AY 9 PET O22 OSL -0.340000 15.9990 0 9892 AY 9 PET C4 CTL2 -0.050000 12.0110 0 9893 AY 9 PET H41 HAL2 0.090000 1.0080 0 9894 AY 9 PET H42 HAL2 0.090000 1.0080 0 9895 AZ 1 PET C2 CD 0.750000 12.0110 0 9896 AZ 1 PET O21 OB -0.550000 15.9990 0 9897 AZ 1 PET O22 OH1 -0.610000 15.9990 0 9898 AZ 1 PET CZ CAP -0.030000 12.0110 0 9899 AZ 1 PET H22 H 0.440000 1.0080 0 9900 AZ 1 PET CD1 CAP -0.115000 12.0110 0 9901 AZ 1 PET HD1 HP 0.115000 1.0080 0 9902 AZ 1 PET CE1 CAP -0.115000 12.0110 0 9903 AZ 1 PET HE1 HP 0.115000 1.0080 0 9904 AZ 1 PET CD2 CAP -0.115000 12.0110 0 9905 AZ 1 PET HD2 HP 0.115000 1.0080 0 9906 AZ 1 PET CE2 CAP -0.115000 12.0110 0 9907 AZ 1 PET HE2 HP 0.115000 1.0080 0 9908 AZ 1 PET CG CAP 0.100000 12.0110 0 9909 AZ 1 PET C1 CL 0.630000 12.0110 0 9910 AZ 1 PET O11 OBL -0.520000 15.9990 0 9911 AZ 1 PET O12 OSL -0.340000 15.9990 0 9912 AZ 1 PET C3 CTL2 -0.050000 12.0110 0 9913 AZ 1 PET H31 HAL2 0.090000 1.0080 0 9914 AZ 1 PET H32 HAL2 0.090000 1.0080 0 9915 AZ 2 PET CD1 CAP -0.115000 12.0110 0 9916 AZ 2 PET HD1 HP 0.115000 1.0080 0 9917 AZ 2 PET CE1 CAP -0.115000 12.0110 0 9918 AZ 2 PET HE1 HP 0.115000 1.0080 0 9919 AZ 2 PET CD2 CAP -0.115000 12.0110 0 9920 AZ 2 PET HD2 HP 0.115000 1.0080 0 9921 AZ 2 PET CE2 CAP -0.115000 12.0110 0 9922 AZ 2 PET HE2 HP 0.115000 1.0080 0 9923 AZ 2 PET CG CAP 0.100000 12.0110 0 9924 AZ 2 PET C1 CL 0.630000 12.0110 0 9925 AZ 2 PET O11 OBL -0.520000 15.9990 0 9926 AZ 2 PET O12 OSL -0.340000 15.9990 0 9927 AZ 2 PET C3 CTL2 -0.050000 12.0110 0 9928 AZ 2 PET H31 HAL2 0.090000 1.0080 0 9929 AZ 2 PET H32 HAL2 0.090000 1.0080 0 9930 AZ 2 PET CZ CAP 0.100000 12.0110 0 9931 AZ 2 PET C2 CL 0.630000 12.0110 0 9932 AZ 2 PET O21 OBL -0.520000 15.9990 0 9933 AZ 2 PET O22 OSL -0.340000 15.9990 0 9934 AZ 2 PET C4 CTL2 -0.050000 12.0110 0 9935 AZ 2 PET H41 HAL2 0.090000 1.0080 0 9936 AZ 2 PET H42 HAL2 0.090000 1.0080 0 9937 AZ 3 PET CD1 CAP -0.115000 12.0110 0 9938 AZ 3 PET HD1 HP 0.115000 1.0080 0 9939 AZ 3 PET CE1 CAP -0.115000 12.0110 0 9940 AZ 3 PET HE1 HP 0.115000 1.0080 0 9941 AZ 3 PET CD2 CAP -0.115000 12.0110 0 9942 AZ 3 PET HD2 HP 0.115000 1.0080 0 9943 AZ 3 PET CE2 CAP -0.115000 12.0110 0 9944 AZ 3 PET HE2 HP 0.115000 1.0080 0 9945 AZ 3 PET CG CAP 0.100000 12.0110 0 9946 AZ 3 PET C1 CL 0.630000 12.0110 0 9947 AZ 3 PET O11 OBL -0.520000 15.9990 0 9948 AZ 3 PET O12 OSL -0.340000 15.9990 0 9949 AZ 3 PET C3 CTL2 -0.050000 12.0110 0 9950 AZ 3 PET H31 HAL2 0.090000 1.0080 0 9951 AZ 3 PET H32 HAL2 0.090000 1.0080 0 9952 AZ 3 PET CZ CAP 0.100000 12.0110 0 9953 AZ 3 PET C2 CL 0.630000 12.0110 0 9954 AZ 3 PET O21 OBL -0.520000 15.9990 0 9955 AZ 3 PET O22 OSL -0.340000 15.9990 0 9956 AZ 3 PET C4 CTL2 -0.050000 12.0110 0 9957 AZ 3 PET H41 HAL2 0.090000 1.0080 0 9958 AZ 3 PET H42 HAL2 0.090000 1.0080 0 9959 AZ 4 PET CD1 CAP -0.115000 12.0110 0 9960 AZ 4 PET HD1 HP 0.115000 1.0080 0 9961 AZ 4 PET CE1 CAP -0.115000 12.0110 0 9962 AZ 4 PET HE1 HP 0.115000 1.0080 0 9963 AZ 4 PET CD2 CAP -0.115000 12.0110 0 9964 AZ 4 PET HD2 HP 0.115000 1.0080 0 9965 AZ 4 PET CE2 CAP -0.115000 12.0110 0 9966 AZ 4 PET HE2 HP 0.115000 1.0080 0 9967 AZ 4 PET CG CAP 0.100000 12.0110 0 9968 AZ 4 PET C1 CL 0.630000 12.0110 0 9969 AZ 4 PET O11 OBL -0.520000 15.9990 0 9970 AZ 4 PET O12 OSL -0.340000 15.9990 0 9971 AZ 4 PET C3 CTL2 -0.050000 12.0110 0 9972 AZ 4 PET H31 HAL2 0.090000 1.0080 0 9973 AZ 4 PET H32 HAL2 0.090000 1.0080 0 9974 AZ 4 PET CZ CAP 0.100000 12.0110 0 9975 AZ 4 PET C2 CL 0.630000 12.0110 0 9976 AZ 4 PET O21 OBL -0.520000 15.9990 0 9977 AZ 4 PET O22 OSL -0.340000 15.9990 0 9978 AZ 4 PET C4 CTL2 -0.050000 12.0110 0 9979 AZ 4 PET H41 HAL2 0.090000 1.0080 0 9980 AZ 4 PET H42 HAL2 0.090000 1.0080 0 9981 AZ 5 PET CD1 CAP -0.115000 12.0110 0 9982 AZ 5 PET HD1 HP 0.115000 1.0080 0 9983 AZ 5 PET CE1 CAP -0.115000 12.0110 0 9984 AZ 5 PET HE1 HP 0.115000 1.0080 0 9985 AZ 5 PET CD2 CAP -0.115000 12.0110 0 9986 AZ 5 PET HD2 HP 0.115000 1.0080 0 9987 AZ 5 PET CE2 CAP -0.115000 12.0110 0 9988 AZ 5 PET HE2 HP 0.115000 1.0080 0 9989 AZ 5 PET CG CAP 0.100000 12.0110 0 9990 AZ 5 PET C1 CL 0.630000 12.0110 0 9991 AZ 5 PET O11 OBL -0.520000 15.9990 0 9992 AZ 5 PET O12 OSL -0.340000 15.9990 0 9993 AZ 5 PET C3 CTL2 -0.050000 12.0110 0 9994 AZ 5 PET H31 HAL2 0.090000 1.0080 0 9995 AZ 5 PET H32 HAL2 0.090000 1.0080 0 9996 AZ 5 PET CZ CAP 0.100000 12.0110 0 9997 AZ 5 PET C2 CL 0.630000 12.0110 0 9998 AZ 5 PET O21 OBL -0.520000 15.9990 0 9999 AZ 5 PET O22 OSL -0.340000 15.9990 0 10000 AZ 5 PET C4 CTL2 -0.050000 12.0110 0 10001 AZ 5 PET H41 HAL2 0.090000 1.0080 0 10002 AZ 5 PET H42 HAL2 0.090000 1.0080 0 10003 AZ 6 PET CD1 CAP -0.115000 12.0110 0 10004 AZ 6 PET HD1 HP 0.115000 1.0080 0 10005 AZ 6 PET CE1 CAP -0.115000 12.0110 0 10006 AZ 6 PET HE1 HP 0.115000 1.0080 0 10007 AZ 6 PET CD2 CAP -0.115000 12.0110 0 10008 AZ 6 PET HD2 HP 0.115000 1.0080 0 10009 AZ 6 PET CE2 CAP -0.115000 12.0110 0 10010 AZ 6 PET HE2 HP 0.115000 1.0080 0 10011 AZ 6 PET CG CAP 0.100000 12.0110 0 10012 AZ 6 PET C1 CL 0.630000 12.0110 0 10013 AZ 6 PET O11 OBL -0.520000 15.9990 0 10014 AZ 6 PET O12 OSL -0.340000 15.9990 0 10015 AZ 6 PET C3 CTL2 -0.050000 12.0110 0 10016 AZ 6 PET H31 HAL2 0.090000 1.0080 0 10017 AZ 6 PET H32 HAL2 0.090000 1.0080 0 10018 AZ 6 PET CZ CAP 0.100000 12.0110 0 10019 AZ 6 PET C2 CL 0.630000 12.0110 0 10020 AZ 6 PET O21 OBL -0.520000 15.9990 0 10021 AZ 6 PET O22 OSL -0.340000 15.9990 0 10022 AZ 6 PET C4 CTL2 -0.050000 12.0110 0 10023 AZ 6 PET H41 HAL2 0.090000 1.0080 0 10024 AZ 6 PET H42 HAL2 0.090000 1.0080 0 10025 AZ 7 PET CD1 CAP -0.115000 12.0110 0 10026 AZ 7 PET HD1 HP 0.115000 1.0080 0 10027 AZ 7 PET CE1 CAP -0.115000 12.0110 0 10028 AZ 7 PET HE1 HP 0.115000 1.0080 0 10029 AZ 7 PET CD2 CAP -0.115000 12.0110 0 10030 AZ 7 PET HD2 HP 0.115000 1.0080 0 10031 AZ 7 PET CE2 CAP -0.115000 12.0110 0 10032 AZ 7 PET HE2 HP 0.115000 1.0080 0 10033 AZ 7 PET CG CAP 0.100000 12.0110 0 10034 AZ 7 PET C1 CL 0.630000 12.0110 0 10035 AZ 7 PET O11 OBL -0.520000 15.9990 0 10036 AZ 7 PET O12 OSL -0.340000 15.9990 0 10037 AZ 7 PET C3 CTL2 -0.050000 12.0110 0 10038 AZ 7 PET H31 HAL2 0.090000 1.0080 0 10039 AZ 7 PET H32 HAL2 0.090000 1.0080 0 10040 AZ 7 PET CZ CAP 0.100000 12.0110 0 10041 AZ 7 PET C2 CL 0.630000 12.0110 0 10042 AZ 7 PET O21 OBL -0.520000 15.9990 0 10043 AZ 7 PET O22 OSL -0.340000 15.9990 0 10044 AZ 7 PET C4 CTL2 -0.050000 12.0110 0 10045 AZ 7 PET H41 HAL2 0.090000 1.0080 0 10046 AZ 7 PET H42 HAL2 0.090000 1.0080 0 10047 AZ 8 PET CD1 CAP -0.115000 12.0110 0 10048 AZ 8 PET HD1 HP 0.115000 1.0080 0 10049 AZ 8 PET CE1 CAP -0.115000 12.0110 0 10050 AZ 8 PET HE1 HP 0.115000 1.0080 0 10051 AZ 8 PET CD2 CAP -0.115000 12.0110 0 10052 AZ 8 PET HD2 HP 0.115000 1.0080 0 10053 AZ 8 PET CE2 CAP -0.115000 12.0110 0 10054 AZ 8 PET HE2 HP 0.115000 1.0080 0 10055 AZ 8 PET CG CAP 0.100000 12.0110 0 10056 AZ 8 PET C1 CL 0.630000 12.0110 0 10057 AZ 8 PET O11 OBL -0.520000 15.9990 0 10058 AZ 8 PET O12 OSL -0.340000 15.9990 0 10059 AZ 8 PET C3 CTL2 -0.050000 12.0110 0 10060 AZ 8 PET H31 HAL2 0.090000 1.0080 0 10061 AZ 8 PET H32 HAL2 0.090000 1.0080 0 10062 AZ 8 PET CZ CAP 0.100000 12.0110 0 10063 AZ 8 PET C2 CL 0.630000 12.0110 0 10064 AZ 8 PET O21 OBL -0.520000 15.9990 0 10065 AZ 8 PET O22 OSL -0.340000 15.9990 0 10066 AZ 8 PET C4 CTL2 -0.050000 12.0110 0 10067 AZ 8 PET H41 HAL2 0.090000 1.0080 0 10068 AZ 8 PET H42 HAL2 0.090000 1.0080 0 10069 AZ 9 PET C1 CD 0.750000 12.0110 0 10070 AZ 9 PET O11 OB -0.550000 15.9990 0 10071 AZ 9 PET O12 OH1 -0.610000 15.9990 0 10072 AZ 9 PET CG CAP -0.030000 12.0110 0 10073 AZ 9 PET H12 H 0.440000 1.0080 0 10074 AZ 9 PET CD1 CAP -0.115000 12.0110 0 10075 AZ 9 PET HD1 HP 0.115000 1.0080 0 10076 AZ 9 PET CE1 CAP -0.115000 12.0110 0 10077 AZ 9 PET HE1 HP 0.115000 1.0080 0 10078 AZ 9 PET CD2 CAP -0.115000 12.0110 0 10079 AZ 9 PET HD2 HP 0.115000 1.0080 0 10080 AZ 9 PET CE2 CAP -0.115000 12.0110 0 10081 AZ 9 PET HE2 HP 0.115000 1.0080 0 10082 AZ 9 PET CZ CAP 0.100000 12.0110 0 10083 AZ 9 PET C2 CL 0.630000 12.0110 0 10084 AZ 9 PET O21 OBL -0.520000 15.9990 0 10085 AZ 9 PET O22 OSL -0.340000 15.9990 0 10086 AZ 9 PET C4 CTL2 -0.050000 12.0110 0 10087 AZ 9 PET H41 HAL2 0.090000 1.0080 0 10088 AZ 9 PET H42 HAL2 0.090000 1.0080 0 10089 BA 1 PET C2 CD 0.750000 12.0110 0 10090 BA 1 PET O21 OB -0.550000 15.9990 0 10091 BA 1 PET O22 OH1 -0.610000 15.9990 0 10092 BA 1 PET CZ CAP -0.030000 12.0110 0 10093 BA 1 PET H22 H 0.440000 1.0080 0 10094 BA 1 PET CD1 CAP -0.115000 12.0110 0 10095 BA 1 PET HD1 HP 0.115000 1.0080 0 10096 BA 1 PET CE1 CAP -0.115000 12.0110 0 10097 BA 1 PET HE1 HP 0.115000 1.0080 0 10098 BA 1 PET CD2 CAP -0.115000 12.0110 0 10099 BA 1 PET HD2 HP 0.115000 1.0080 0 10100 BA 1 PET CE2 CAP -0.115000 12.0110 0 10101 BA 1 PET HE2 HP 0.115000 1.0080 0 10102 BA 1 PET CG CAP 0.100000 12.0110 0 10103 BA 1 PET C1 CL 0.630000 12.0110 0 10104 BA 1 PET O11 OBL -0.520000 15.9990 0 10105 BA 1 PET O12 OSL -0.340000 15.9990 0 10106 BA 1 PET C3 CTL2 -0.050000 12.0110 0 10107 BA 1 PET H31 HAL2 0.090000 1.0080 0 10108 BA 1 PET H32 HAL2 0.090000 1.0080 0 10109 BA 2 PET CD1 CAP -0.115000 12.0110 0 10110 BA 2 PET HD1 HP 0.115000 1.0080 0 10111 BA 2 PET CE1 CAP -0.115000 12.0110 0 10112 BA 2 PET HE1 HP 0.115000 1.0080 0 10113 BA 2 PET CD2 CAP -0.115000 12.0110 0 10114 BA 2 PET HD2 HP 0.115000 1.0080 0 10115 BA 2 PET CE2 CAP -0.115000 12.0110 0 10116 BA 2 PET HE2 HP 0.115000 1.0080 0 10117 BA 2 PET CG CAP 0.100000 12.0110 0 10118 BA 2 PET C1 CL 0.630000 12.0110 0 10119 BA 2 PET O11 OBL -0.520000 15.9990 0 10120 BA 2 PET O12 OSL -0.340000 15.9990 0 10121 BA 2 PET C3 CTL2 -0.050000 12.0110 0 10122 BA 2 PET H31 HAL2 0.090000 1.0080 0 10123 BA 2 PET H32 HAL2 0.090000 1.0080 0 10124 BA 2 PET CZ CAP 0.100000 12.0110 0 10125 BA 2 PET C2 CL 0.630000 12.0110 0 10126 BA 2 PET O21 OBL -0.520000 15.9990 0 10127 BA 2 PET O22 OSL -0.340000 15.9990 0 10128 BA 2 PET C4 CTL2 -0.050000 12.0110 0 10129 BA 2 PET H41 HAL2 0.090000 1.0080 0 10130 BA 2 PET H42 HAL2 0.090000 1.0080 0 10131 BA 3 PET CD1 CAP -0.115000 12.0110 0 10132 BA 3 PET HD1 HP 0.115000 1.0080 0 10133 BA 3 PET CE1 CAP -0.115000 12.0110 0 10134 BA 3 PET HE1 HP 0.115000 1.0080 0 10135 BA 3 PET CD2 CAP -0.115000 12.0110 0 10136 BA 3 PET HD2 HP 0.115000 1.0080 0 10137 BA 3 PET CE2 CAP -0.115000 12.0110 0 10138 BA 3 PET HE2 HP 0.115000 1.0080 0 10139 BA 3 PET CG CAP 0.100000 12.0110 0 10140 BA 3 PET C1 CL 0.630000 12.0110 0 10141 BA 3 PET O11 OBL -0.520000 15.9990 0 10142 BA 3 PET O12 OSL -0.340000 15.9990 0 10143 BA 3 PET C3 CTL2 -0.050000 12.0110 0 10144 BA 3 PET H31 HAL2 0.090000 1.0080 0 10145 BA 3 PET H32 HAL2 0.090000 1.0080 0 10146 BA 3 PET CZ CAP 0.100000 12.0110 0 10147 BA 3 PET C2 CL 0.630000 12.0110 0 10148 BA 3 PET O21 OBL -0.520000 15.9990 0 10149 BA 3 PET O22 OSL -0.340000 15.9990 0 10150 BA 3 PET C4 CTL2 -0.050000 12.0110 0 10151 BA 3 PET H41 HAL2 0.090000 1.0080 0 10152 BA 3 PET H42 HAL2 0.090000 1.0080 0 10153 BA 4 PET CD1 CAP -0.115000 12.0110 0 10154 BA 4 PET HD1 HP 0.115000 1.0080 0 10155 BA 4 PET CE1 CAP -0.115000 12.0110 0 10156 BA 4 PET HE1 HP 0.115000 1.0080 0 10157 BA 4 PET CD2 CAP -0.115000 12.0110 0 10158 BA 4 PET HD2 HP 0.115000 1.0080 0 10159 BA 4 PET CE2 CAP -0.115000 12.0110 0 10160 BA 4 PET HE2 HP 0.115000 1.0080 0 10161 BA 4 PET CG CAP 0.100000 12.0110 0 10162 BA 4 PET C1 CL 0.630000 12.0110 0 10163 BA 4 PET O11 OBL -0.520000 15.9990 0 10164 BA 4 PET O12 OSL -0.340000 15.9990 0 10165 BA 4 PET C3 CTL2 -0.050000 12.0110 0 10166 BA 4 PET H31 HAL2 0.090000 1.0080 0 10167 BA 4 PET H32 HAL2 0.090000 1.0080 0 10168 BA 4 PET CZ CAP 0.100000 12.0110 0 10169 BA 4 PET C2 CL 0.630000 12.0110 0 10170 BA 4 PET O21 OBL -0.520000 15.9990 0 10171 BA 4 PET O22 OSL -0.340000 15.9990 0 10172 BA 4 PET C4 CTL2 -0.050000 12.0110 0 10173 BA 4 PET H41 HAL2 0.090000 1.0080 0 10174 BA 4 PET H42 HAL2 0.090000 1.0080 0 10175 BA 5 PET CD1 CAP -0.115000 12.0110 0 10176 BA 5 PET HD1 HP 0.115000 1.0080 0 10177 BA 5 PET CE1 CAP -0.115000 12.0110 0 10178 BA 5 PET HE1 HP 0.115000 1.0080 0 10179 BA 5 PET CD2 CAP -0.115000 12.0110 0 10180 BA 5 PET HD2 HP 0.115000 1.0080 0 10181 BA 5 PET CE2 CAP -0.115000 12.0110 0 10182 BA 5 PET HE2 HP 0.115000 1.0080 0 10183 BA 5 PET CG CAP 0.100000 12.0110 0 10184 BA 5 PET C1 CL 0.630000 12.0110 0 10185 BA 5 PET O11 OBL -0.520000 15.9990 0 10186 BA 5 PET O12 OSL -0.340000 15.9990 0 10187 BA 5 PET C3 CTL2 -0.050000 12.0110 0 10188 BA 5 PET H31 HAL2 0.090000 1.0080 0 10189 BA 5 PET H32 HAL2 0.090000 1.0080 0 10190 BA 5 PET CZ CAP 0.100000 12.0110 0 10191 BA 5 PET C2 CL 0.630000 12.0110 0 10192 BA 5 PET O21 OBL -0.520000 15.9990 0 10193 BA 5 PET O22 OSL -0.340000 15.9990 0 10194 BA 5 PET C4 CTL2 -0.050000 12.0110 0 10195 BA 5 PET H41 HAL2 0.090000 1.0080 0 10196 BA 5 PET H42 HAL2 0.090000 1.0080 0 10197 BA 6 PET CD1 CAP -0.115000 12.0110 0 10198 BA 6 PET HD1 HP 0.115000 1.0080 0 10199 BA 6 PET CE1 CAP -0.115000 12.0110 0 10200 BA 6 PET HE1 HP 0.115000 1.0080 0 10201 BA 6 PET CD2 CAP -0.115000 12.0110 0 10202 BA 6 PET HD2 HP 0.115000 1.0080 0 10203 BA 6 PET CE2 CAP -0.115000 12.0110 0 10204 BA 6 PET HE2 HP 0.115000 1.0080 0 10205 BA 6 PET CG CAP 0.100000 12.0110 0 10206 BA 6 PET C1 CL 0.630000 12.0110 0 10207 BA 6 PET O11 OBL -0.520000 15.9990 0 10208 BA 6 PET O12 OSL -0.340000 15.9990 0 10209 BA 6 PET C3 CTL2 -0.050000 12.0110 0 10210 BA 6 PET H31 HAL2 0.090000 1.0080 0 10211 BA 6 PET H32 HAL2 0.090000 1.0080 0 10212 BA 6 PET CZ CAP 0.100000 12.0110 0 10213 BA 6 PET C2 CL 0.630000 12.0110 0 10214 BA 6 PET O21 OBL -0.520000 15.9990 0 10215 BA 6 PET O22 OSL -0.340000 15.9990 0 10216 BA 6 PET C4 CTL2 -0.050000 12.0110 0 10217 BA 6 PET H41 HAL2 0.090000 1.0080 0 10218 BA 6 PET H42 HAL2 0.090000 1.0080 0 10219 BA 7 PET CD1 CAP -0.115000 12.0110 0 10220 BA 7 PET HD1 HP 0.115000 1.0080 0 10221 BA 7 PET CE1 CAP -0.115000 12.0110 0 10222 BA 7 PET HE1 HP 0.115000 1.0080 0 10223 BA 7 PET CD2 CAP -0.115000 12.0110 0 10224 BA 7 PET HD2 HP 0.115000 1.0080 0 10225 BA 7 PET CE2 CAP -0.115000 12.0110 0 10226 BA 7 PET HE2 HP 0.115000 1.0080 0 10227 BA 7 PET CG CAP 0.100000 12.0110 0 10228 BA 7 PET C1 CL 0.630000 12.0110 0 10229 BA 7 PET O11 OBL -0.520000 15.9990 0 10230 BA 7 PET O12 OSL -0.340000 15.9990 0 10231 BA 7 PET C3 CTL2 -0.050000 12.0110 0 10232 BA 7 PET H31 HAL2 0.090000 1.0080 0 10233 BA 7 PET H32 HAL2 0.090000 1.0080 0 10234 BA 7 PET CZ CAP 0.100000 12.0110 0 10235 BA 7 PET C2 CL 0.630000 12.0110 0 10236 BA 7 PET O21 OBL -0.520000 15.9990 0 10237 BA 7 PET O22 OSL -0.340000 15.9990 0 10238 BA 7 PET C4 CTL2 -0.050000 12.0110 0 10239 BA 7 PET H41 HAL2 0.090000 1.0080 0 10240 BA 7 PET H42 HAL2 0.090000 1.0080 0 10241 BA 8 PET CD1 CAP -0.115000 12.0110 0 10242 BA 8 PET HD1 HP 0.115000 1.0080 0 10243 BA 8 PET CE1 CAP -0.115000 12.0110 0 10244 BA 8 PET HE1 HP 0.115000 1.0080 0 10245 BA 8 PET CD2 CAP -0.115000 12.0110 0 10246 BA 8 PET HD2 HP 0.115000 1.0080 0 10247 BA 8 PET CE2 CAP -0.115000 12.0110 0 10248 BA 8 PET HE2 HP 0.115000 1.0080 0 10249 BA 8 PET CG CAP 0.100000 12.0110 0 10250 BA 8 PET C1 CL 0.630000 12.0110 0 10251 BA 8 PET O11 OBL -0.520000 15.9990 0 10252 BA 8 PET O12 OSL -0.340000 15.9990 0 10253 BA 8 PET C3 CTL2 -0.050000 12.0110 0 10254 BA 8 PET H31 HAL2 0.090000 1.0080 0 10255 BA 8 PET H32 HAL2 0.090000 1.0080 0 10256 BA 8 PET CZ CAP 0.100000 12.0110 0 10257 BA 8 PET C2 CL 0.630000 12.0110 0 10258 BA 8 PET O21 OBL -0.520000 15.9990 0 10259 BA 8 PET O22 OSL -0.340000 15.9990 0 10260 BA 8 PET C4 CTL2 -0.050000 12.0110 0 10261 BA 8 PET H41 HAL2 0.090000 1.0080 0 10262 BA 8 PET H42 HAL2 0.090000 1.0080 0 10263 BA 9 PET C1 CD 0.750000 12.0110 0 10264 BA 9 PET O11 OB -0.550000 15.9990 0 10265 BA 9 PET O12 OH1 -0.610000 15.9990 0 10266 BA 9 PET CG CAP -0.030000 12.0110 0 10267 BA 9 PET H12 H 0.440000 1.0080 0 10268 BA 9 PET CD1 CAP -0.115000 12.0110 0 10269 BA 9 PET HD1 HP 0.115000 1.0080 0 10270 BA 9 PET CE1 CAP -0.115000 12.0110 0 10271 BA 9 PET HE1 HP 0.115000 1.0080 0 10272 BA 9 PET CD2 CAP -0.115000 12.0110 0 10273 BA 9 PET HD2 HP 0.115000 1.0080 0 10274 BA 9 PET CE2 CAP -0.115000 12.0110 0 10275 BA 9 PET HE2 HP 0.115000 1.0080 0 10276 BA 9 PET CZ CAP 0.100000 12.0110 0 10277 BA 9 PET C2 CL 0.630000 12.0110 0 10278 BA 9 PET O21 OBL -0.520000 15.9990 0 10279 BA 9 PET O22 OSL -0.340000 15.9990 0 10280 BA 9 PET C4 CTL2 -0.050000 12.0110 0 10281 BA 9 PET H41 HAL2 0.090000 1.0080 0 10282 BA 9 PET H42 HAL2 0.090000 1.0080 0 10283 BB 1 PET C2 CD 0.750000 12.0110 0 10284 BB 1 PET O21 OB -0.550000 15.9990 0 10285 BB 1 PET O22 OH1 -0.610000 15.9990 0 10286 BB 1 PET CZ CAP -0.030000 12.0110 0 10287 BB 1 PET H22 H 0.440000 1.0080 0 10288 BB 1 PET CD1 CAP -0.115000 12.0110 0 10289 BB 1 PET HD1 HP 0.115000 1.0080 0 10290 BB 1 PET CE1 CAP -0.115000 12.0110 0 10291 BB 1 PET HE1 HP 0.115000 1.0080 0 10292 BB 1 PET CD2 CAP -0.115000 12.0110 0 10293 BB 1 PET HD2 HP 0.115000 1.0080 0 10294 BB 1 PET CE2 CAP -0.115000 12.0110 0 10295 BB 1 PET HE2 HP 0.115000 1.0080 0 10296 BB 1 PET CG CAP 0.100000 12.0110 0 10297 BB 1 PET C1 CL 0.630000 12.0110 0 10298 BB 1 PET O11 OBL -0.520000 15.9990 0 10299 BB 1 PET O12 OSL -0.340000 15.9990 0 10300 BB 1 PET C3 CTL2 -0.050000 12.0110 0 10301 BB 1 PET H31 HAL2 0.090000 1.0080 0 10302 BB 1 PET H32 HAL2 0.090000 1.0080 0 10303 BB 2 PET CD1 CAP -0.115000 12.0110 0 10304 BB 2 PET HD1 HP 0.115000 1.0080 0 10305 BB 2 PET CE1 CAP -0.115000 12.0110 0 10306 BB 2 PET HE1 HP 0.115000 1.0080 0 10307 BB 2 PET CD2 CAP -0.115000 12.0110 0 10308 BB 2 PET HD2 HP 0.115000 1.0080 0 10309 BB 2 PET CE2 CAP -0.115000 12.0110 0 10310 BB 2 PET HE2 HP 0.115000 1.0080 0 10311 BB 2 PET CG CAP 0.100000 12.0110 0 10312 BB 2 PET C1 CL 0.630000 12.0110 0 10313 BB 2 PET O11 OBL -0.520000 15.9990 0 10314 BB 2 PET O12 OSL -0.340000 15.9990 0 10315 BB 2 PET C3 CTL2 -0.050000 12.0110 0 10316 BB 2 PET H31 HAL2 0.090000 1.0080 0 10317 BB 2 PET H32 HAL2 0.090000 1.0080 0 10318 BB 2 PET CZ CAP 0.100000 12.0110 0 10319 BB 2 PET C2 CL 0.630000 12.0110 0 10320 BB 2 PET O21 OBL -0.520000 15.9990 0 10321 BB 2 PET O22 OSL -0.340000 15.9990 0 10322 BB 2 PET C4 CTL2 -0.050000 12.0110 0 10323 BB 2 PET H41 HAL2 0.090000 1.0080 0 10324 BB 2 PET H42 HAL2 0.090000 1.0080 0 10325 BB 3 PET CD1 CAP -0.115000 12.0110 0 10326 BB 3 PET HD1 HP 0.115000 1.0080 0 10327 BB 3 PET CE1 CAP -0.115000 12.0110 0 10328 BB 3 PET HE1 HP 0.115000 1.0080 0 10329 BB 3 PET CD2 CAP -0.115000 12.0110 0 10330 BB 3 PET HD2 HP 0.115000 1.0080 0 10331 BB 3 PET CE2 CAP -0.115000 12.0110 0 10332 BB 3 PET HE2 HP 0.115000 1.0080 0 10333 BB 3 PET CG CAP 0.100000 12.0110 0 10334 BB 3 PET C1 CL 0.630000 12.0110 0 10335 BB 3 PET O11 OBL -0.520000 15.9990 0 10336 BB 3 PET O12 OSL -0.340000 15.9990 0 10337 BB 3 PET C3 CTL2 -0.050000 12.0110 0 10338 BB 3 PET H31 HAL2 0.090000 1.0080 0 10339 BB 3 PET H32 HAL2 0.090000 1.0080 0 10340 BB 3 PET CZ CAP 0.100000 12.0110 0 10341 BB 3 PET C2 CL 0.630000 12.0110 0 10342 BB 3 PET O21 OBL -0.520000 15.9990 0 10343 BB 3 PET O22 OSL -0.340000 15.9990 0 10344 BB 3 PET C4 CTL2 -0.050000 12.0110 0 10345 BB 3 PET H41 HAL2 0.090000 1.0080 0 10346 BB 3 PET H42 HAL2 0.090000 1.0080 0 10347 BB 4 PET CD1 CAP -0.115000 12.0110 0 10348 BB 4 PET HD1 HP 0.115000 1.0080 0 10349 BB 4 PET CE1 CAP -0.115000 12.0110 0 10350 BB 4 PET HE1 HP 0.115000 1.0080 0 10351 BB 4 PET CD2 CAP -0.115000 12.0110 0 10352 BB 4 PET HD2 HP 0.115000 1.0080 0 10353 BB 4 PET CE2 CAP -0.115000 12.0110 0 10354 BB 4 PET HE2 HP 0.115000 1.0080 0 10355 BB 4 PET CG CAP 0.100000 12.0110 0 10356 BB 4 PET C1 CL 0.630000 12.0110 0 10357 BB 4 PET O11 OBL -0.520000 15.9990 0 10358 BB 4 PET O12 OSL -0.340000 15.9990 0 10359 BB 4 PET C3 CTL2 -0.050000 12.0110 0 10360 BB 4 PET H31 HAL2 0.090000 1.0080 0 10361 BB 4 PET H32 HAL2 0.090000 1.0080 0 10362 BB 4 PET CZ CAP 0.100000 12.0110 0 10363 BB 4 PET C2 CL 0.630000 12.0110 0 10364 BB 4 PET O21 OBL -0.520000 15.9990 0 10365 BB 4 PET O22 OSL -0.340000 15.9990 0 10366 BB 4 PET C4 CTL2 -0.050000 12.0110 0 10367 BB 4 PET H41 HAL2 0.090000 1.0080 0 10368 BB 4 PET H42 HAL2 0.090000 1.0080 0 10369 BB 5 PET CD1 CAP -0.115000 12.0110 0 10370 BB 5 PET HD1 HP 0.115000 1.0080 0 10371 BB 5 PET CE1 CAP -0.115000 12.0110 0 10372 BB 5 PET HE1 HP 0.115000 1.0080 0 10373 BB 5 PET CD2 CAP -0.115000 12.0110 0 10374 BB 5 PET HD2 HP 0.115000 1.0080 0 10375 BB 5 PET CE2 CAP -0.115000 12.0110 0 10376 BB 5 PET HE2 HP 0.115000 1.0080 0 10377 BB 5 PET CG CAP 0.100000 12.0110 0 10378 BB 5 PET C1 CL 0.630000 12.0110 0 10379 BB 5 PET O11 OBL -0.520000 15.9990 0 10380 BB 5 PET O12 OSL -0.340000 15.9990 0 10381 BB 5 PET C3 CTL2 -0.050000 12.0110 0 10382 BB 5 PET H31 HAL2 0.090000 1.0080 0 10383 BB 5 PET H32 HAL2 0.090000 1.0080 0 10384 BB 5 PET CZ CAP 0.100000 12.0110 0 10385 BB 5 PET C2 CL 0.630000 12.0110 0 10386 BB 5 PET O21 OBL -0.520000 15.9990 0 10387 BB 5 PET O22 OSL -0.340000 15.9990 0 10388 BB 5 PET C4 CTL2 -0.050000 12.0110 0 10389 BB 5 PET H41 HAL2 0.090000 1.0080 0 10390 BB 5 PET H42 HAL2 0.090000 1.0080 0 10391 BB 6 PET CD1 CAP -0.115000 12.0110 0 10392 BB 6 PET HD1 HP 0.115000 1.0080 0 10393 BB 6 PET CE1 CAP -0.115000 12.0110 0 10394 BB 6 PET HE1 HP 0.115000 1.0080 0 10395 BB 6 PET CD2 CAP -0.115000 12.0110 0 10396 BB 6 PET HD2 HP 0.115000 1.0080 0 10397 BB 6 PET CE2 CAP -0.115000 12.0110 0 10398 BB 6 PET HE2 HP 0.115000 1.0080 0 10399 BB 6 PET CG CAP 0.100000 12.0110 0 10400 BB 6 PET C1 CL 0.630000 12.0110 0 10401 BB 6 PET O11 OBL -0.520000 15.9990 0 10402 BB 6 PET O12 OSL -0.340000 15.9990 0 10403 BB 6 PET C3 CTL2 -0.050000 12.0110 0 10404 BB 6 PET H31 HAL2 0.090000 1.0080 0 10405 BB 6 PET H32 HAL2 0.090000 1.0080 0 10406 BB 6 PET CZ CAP 0.100000 12.0110 0 10407 BB 6 PET C2 CL 0.630000 12.0110 0 10408 BB 6 PET O21 OBL -0.520000 15.9990 0 10409 BB 6 PET O22 OSL -0.340000 15.9990 0 10410 BB 6 PET C4 CTL2 -0.050000 12.0110 0 10411 BB 6 PET H41 HAL2 0.090000 1.0080 0 10412 BB 6 PET H42 HAL2 0.090000 1.0080 0 10413 BB 7 PET CD1 CAP -0.115000 12.0110 0 10414 BB 7 PET HD1 HP 0.115000 1.0080 0 10415 BB 7 PET CE1 CAP -0.115000 12.0110 0 10416 BB 7 PET HE1 HP 0.115000 1.0080 0 10417 BB 7 PET CD2 CAP -0.115000 12.0110 0 10418 BB 7 PET HD2 HP 0.115000 1.0080 0 10419 BB 7 PET CE2 CAP -0.115000 12.0110 0 10420 BB 7 PET HE2 HP 0.115000 1.0080 0 10421 BB 7 PET CG CAP 0.100000 12.0110 0 10422 BB 7 PET C1 CL 0.630000 12.0110 0 10423 BB 7 PET O11 OBL -0.520000 15.9990 0 10424 BB 7 PET O12 OSL -0.340000 15.9990 0 10425 BB 7 PET C3 CTL2 -0.050000 12.0110 0 10426 BB 7 PET H31 HAL2 0.090000 1.0080 0 10427 BB 7 PET H32 HAL2 0.090000 1.0080 0 10428 BB 7 PET CZ CAP 0.100000 12.0110 0 10429 BB 7 PET C2 CL 0.630000 12.0110 0 10430 BB 7 PET O21 OBL -0.520000 15.9990 0 10431 BB 7 PET O22 OSL -0.340000 15.9990 0 10432 BB 7 PET C4 CTL2 -0.050000 12.0110 0 10433 BB 7 PET H41 HAL2 0.090000 1.0080 0 10434 BB 7 PET H42 HAL2 0.090000 1.0080 0 10435 BB 8 PET CD1 CAP -0.115000 12.0110 0 10436 BB 8 PET HD1 HP 0.115000 1.0080 0 10437 BB 8 PET CE1 CAP -0.115000 12.0110 0 10438 BB 8 PET HE1 HP 0.115000 1.0080 0 10439 BB 8 PET CD2 CAP -0.115000 12.0110 0 10440 BB 8 PET HD2 HP 0.115000 1.0080 0 10441 BB 8 PET CE2 CAP -0.115000 12.0110 0 10442 BB 8 PET HE2 HP 0.115000 1.0080 0 10443 BB 8 PET CG CAP 0.100000 12.0110 0 10444 BB 8 PET C1 CL 0.630000 12.0110 0 10445 BB 8 PET O11 OBL -0.520000 15.9990 0 10446 BB 8 PET O12 OSL -0.340000 15.9990 0 10447 BB 8 PET C3 CTL2 -0.050000 12.0110 0 10448 BB 8 PET H31 HAL2 0.090000 1.0080 0 10449 BB 8 PET H32 HAL2 0.090000 1.0080 0 10450 BB 8 PET CZ CAP 0.100000 12.0110 0 10451 BB 8 PET C2 CL 0.630000 12.0110 0 10452 BB 8 PET O21 OBL -0.520000 15.9990 0 10453 BB 8 PET O22 OSL -0.340000 15.9990 0 10454 BB 8 PET C4 CTL2 -0.050000 12.0110 0 10455 BB 8 PET H41 HAL2 0.090000 1.0080 0 10456 BB 8 PET H42 HAL2 0.090000 1.0080 0 10457 BB 9 PET C1 CD 0.750000 12.0110 0 10458 BB 9 PET O11 OB -0.550000 15.9990 0 10459 BB 9 PET O12 OH1 -0.610000 15.9990 0 10460 BB 9 PET CG CAP -0.030000 12.0110 0 10461 BB 9 PET H12 H 0.440000 1.0080 0 10462 BB 9 PET CD1 CAP -0.115000 12.0110 0 10463 BB 9 PET HD1 HP 0.115000 1.0080 0 10464 BB 9 PET CE1 CAP -0.115000 12.0110 0 10465 BB 9 PET HE1 HP 0.115000 1.0080 0 10466 BB 9 PET CD2 CAP -0.115000 12.0110 0 10467 BB 9 PET HD2 HP 0.115000 1.0080 0 10468 BB 9 PET CE2 CAP -0.115000 12.0110 0 10469 BB 9 PET HE2 HP 0.115000 1.0080 0 10470 BB 9 PET CZ CAP 0.100000 12.0110 0 10471 BB 9 PET C2 CL 0.630000 12.0110 0 10472 BB 9 PET O21 OBL -0.520000 15.9990 0 10473 BB 9 PET O22 OSL -0.340000 15.9990 0 10474 BB 9 PET C4 CTL2 -0.050000 12.0110 0 10475 BB 9 PET H41 HAL2 0.090000 1.0080 0 10476 BB 9 PET H42 HAL2 0.090000 1.0080 0 10477 BC 1 PET C2 CD 0.750000 12.0110 0 10478 BC 1 PET O21 OB -0.550000 15.9990 0 10479 BC 1 PET O22 OH1 -0.610000 15.9990 0 10480 BC 1 PET CZ CAP -0.030000 12.0110 0 10481 BC 1 PET H22 H 0.440000 1.0080 0 10482 BC 1 PET CD1 CAP -0.115000 12.0110 0 10483 BC 1 PET HD1 HP 0.115000 1.0080 0 10484 BC 1 PET CE1 CAP -0.115000 12.0110 0 10485 BC 1 PET HE1 HP 0.115000 1.0080 0 10486 BC 1 PET CD2 CAP -0.115000 12.0110 0 10487 BC 1 PET HD2 HP 0.115000 1.0080 0 10488 BC 1 PET CE2 CAP -0.115000 12.0110 0 10489 BC 1 PET HE2 HP 0.115000 1.0080 0 10490 BC 1 PET CG CAP 0.100000 12.0110 0 10491 BC 1 PET C1 CL 0.630000 12.0110 0 10492 BC 1 PET O11 OBL -0.520000 15.9990 0 10493 BC 1 PET O12 OSL -0.340000 15.9990 0 10494 BC 1 PET C3 CTL2 -0.050000 12.0110 0 10495 BC 1 PET H31 HAL2 0.090000 1.0080 0 10496 BC 1 PET H32 HAL2 0.090000 1.0080 0 10497 BC 2 PET CD1 CAP -0.115000 12.0110 0 10498 BC 2 PET HD1 HP 0.115000 1.0080 0 10499 BC 2 PET CE1 CAP -0.115000 12.0110 0 10500 BC 2 PET HE1 HP 0.115000 1.0080 0 10501 BC 2 PET CD2 CAP -0.115000 12.0110 0 10502 BC 2 PET HD2 HP 0.115000 1.0080 0 10503 BC 2 PET CE2 CAP -0.115000 12.0110 0 10504 BC 2 PET HE2 HP 0.115000 1.0080 0 10505 BC 2 PET CG CAP 0.100000 12.0110 0 10506 BC 2 PET C1 CL 0.630000 12.0110 0 10507 BC 2 PET O11 OBL -0.520000 15.9990 0 10508 BC 2 PET O12 OSL -0.340000 15.9990 0 10509 BC 2 PET C3 CTL2 -0.050000 12.0110 0 10510 BC 2 PET H31 HAL2 0.090000 1.0080 0 10511 BC 2 PET H32 HAL2 0.090000 1.0080 0 10512 BC 2 PET CZ CAP 0.100000 12.0110 0 10513 BC 2 PET C2 CL 0.630000 12.0110 0 10514 BC 2 PET O21 OBL -0.520000 15.9990 0 10515 BC 2 PET O22 OSL -0.340000 15.9990 0 10516 BC 2 PET C4 CTL2 -0.050000 12.0110 0 10517 BC 2 PET H41 HAL2 0.090000 1.0080 0 10518 BC 2 PET H42 HAL2 0.090000 1.0080 0 10519 BC 3 PET CD1 CAP -0.115000 12.0110 0 10520 BC 3 PET HD1 HP 0.115000 1.0080 0 10521 BC 3 PET CE1 CAP -0.115000 12.0110 0 10522 BC 3 PET HE1 HP 0.115000 1.0080 0 10523 BC 3 PET CD2 CAP -0.115000 12.0110 0 10524 BC 3 PET HD2 HP 0.115000 1.0080 0 10525 BC 3 PET CE2 CAP -0.115000 12.0110 0 10526 BC 3 PET HE2 HP 0.115000 1.0080 0 10527 BC 3 PET CG CAP 0.100000 12.0110 0 10528 BC 3 PET C1 CL 0.630000 12.0110 0 10529 BC 3 PET O11 OBL -0.520000 15.9990 0 10530 BC 3 PET O12 OSL -0.340000 15.9990 0 10531 BC 3 PET C3 CTL2 -0.050000 12.0110 0 10532 BC 3 PET H31 HAL2 0.090000 1.0080 0 10533 BC 3 PET H32 HAL2 0.090000 1.0080 0 10534 BC 3 PET CZ CAP 0.100000 12.0110 0 10535 BC 3 PET C2 CL 0.630000 12.0110 0 10536 BC 3 PET O21 OBL -0.520000 15.9990 0 10537 BC 3 PET O22 OSL -0.340000 15.9990 0 10538 BC 3 PET C4 CTL2 -0.050000 12.0110 0 10539 BC 3 PET H41 HAL2 0.090000 1.0080 0 10540 BC 3 PET H42 HAL2 0.090000 1.0080 0 10541 BC 4 PET CD1 CAP -0.115000 12.0110 0 10542 BC 4 PET HD1 HP 0.115000 1.0080 0 10543 BC 4 PET CE1 CAP -0.115000 12.0110 0 10544 BC 4 PET HE1 HP 0.115000 1.0080 0 10545 BC 4 PET CD2 CAP -0.115000 12.0110 0 10546 BC 4 PET HD2 HP 0.115000 1.0080 0 10547 BC 4 PET CE2 CAP -0.115000 12.0110 0 10548 BC 4 PET HE2 HP 0.115000 1.0080 0 10549 BC 4 PET CG CAP 0.100000 12.0110 0 10550 BC 4 PET C1 CL 0.630000 12.0110 0 10551 BC 4 PET O11 OBL -0.520000 15.9990 0 10552 BC 4 PET O12 OSL -0.340000 15.9990 0 10553 BC 4 PET C3 CTL2 -0.050000 12.0110 0 10554 BC 4 PET H31 HAL2 0.090000 1.0080 0 10555 BC 4 PET H32 HAL2 0.090000 1.0080 0 10556 BC 4 PET CZ CAP 0.100000 12.0110 0 10557 BC 4 PET C2 CL 0.630000 12.0110 0 10558 BC 4 PET O21 OBL -0.520000 15.9990 0 10559 BC 4 PET O22 OSL -0.340000 15.9990 0 10560 BC 4 PET C4 CTL2 -0.050000 12.0110 0 10561 BC 4 PET H41 HAL2 0.090000 1.0080 0 10562 BC 4 PET H42 HAL2 0.090000 1.0080 0 10563 BC 5 PET CD1 CAP -0.115000 12.0110 0 10564 BC 5 PET HD1 HP 0.115000 1.0080 0 10565 BC 5 PET CE1 CAP -0.115000 12.0110 0 10566 BC 5 PET HE1 HP 0.115000 1.0080 0 10567 BC 5 PET CD2 CAP -0.115000 12.0110 0 10568 BC 5 PET HD2 HP 0.115000 1.0080 0 10569 BC 5 PET CE2 CAP -0.115000 12.0110 0 10570 BC 5 PET HE2 HP 0.115000 1.0080 0 10571 BC 5 PET CG CAP 0.100000 12.0110 0 10572 BC 5 PET C1 CL 0.630000 12.0110 0 10573 BC 5 PET O11 OBL -0.520000 15.9990 0 10574 BC 5 PET O12 OSL -0.340000 15.9990 0 10575 BC 5 PET C3 CTL2 -0.050000 12.0110 0 10576 BC 5 PET H31 HAL2 0.090000 1.0080 0 10577 BC 5 PET H32 HAL2 0.090000 1.0080 0 10578 BC 5 PET CZ CAP 0.100000 12.0110 0 10579 BC 5 PET C2 CL 0.630000 12.0110 0 10580 BC 5 PET O21 OBL -0.520000 15.9990 0 10581 BC 5 PET O22 OSL -0.340000 15.9990 0 10582 BC 5 PET C4 CTL2 -0.050000 12.0110 0 10583 BC 5 PET H41 HAL2 0.090000 1.0080 0 10584 BC 5 PET H42 HAL2 0.090000 1.0080 0 10585 BC 6 PET CD1 CAP -0.115000 12.0110 0 10586 BC 6 PET HD1 HP 0.115000 1.0080 0 10587 BC 6 PET CE1 CAP -0.115000 12.0110 0 10588 BC 6 PET HE1 HP 0.115000 1.0080 0 10589 BC 6 PET CD2 CAP -0.115000 12.0110 0 10590 BC 6 PET HD2 HP 0.115000 1.0080 0 10591 BC 6 PET CE2 CAP -0.115000 12.0110 0 10592 BC 6 PET HE2 HP 0.115000 1.0080 0 10593 BC 6 PET CG CAP 0.100000 12.0110 0 10594 BC 6 PET C1 CL 0.630000 12.0110 0 10595 BC 6 PET O11 OBL -0.520000 15.9990 0 10596 BC 6 PET O12 OSL -0.340000 15.9990 0 10597 BC 6 PET C3 CTL2 -0.050000 12.0110 0 10598 BC 6 PET H31 HAL2 0.090000 1.0080 0 10599 BC 6 PET H32 HAL2 0.090000 1.0080 0 10600 BC 6 PET CZ CAP 0.100000 12.0110 0 10601 BC 6 PET C2 CL 0.630000 12.0110 0 10602 BC 6 PET O21 OBL -0.520000 15.9990 0 10603 BC 6 PET O22 OSL -0.340000 15.9990 0 10604 BC 6 PET C4 CTL2 -0.050000 12.0110 0 10605 BC 6 PET H41 HAL2 0.090000 1.0080 0 10606 BC 6 PET H42 HAL2 0.090000 1.0080 0 10607 BC 7 PET CD1 CAP -0.115000 12.0110 0 10608 BC 7 PET HD1 HP 0.115000 1.0080 0 10609 BC 7 PET CE1 CAP -0.115000 12.0110 0 10610 BC 7 PET HE1 HP 0.115000 1.0080 0 10611 BC 7 PET CD2 CAP -0.115000 12.0110 0 10612 BC 7 PET HD2 HP 0.115000 1.0080 0 10613 BC 7 PET CE2 CAP -0.115000 12.0110 0 10614 BC 7 PET HE2 HP 0.115000 1.0080 0 10615 BC 7 PET CG CAP 0.100000 12.0110 0 10616 BC 7 PET C1 CL 0.630000 12.0110 0 10617 BC 7 PET O11 OBL -0.520000 15.9990 0 10618 BC 7 PET O12 OSL -0.340000 15.9990 0 10619 BC 7 PET C3 CTL2 -0.050000 12.0110 0 10620 BC 7 PET H31 HAL2 0.090000 1.0080 0 10621 BC 7 PET H32 HAL2 0.090000 1.0080 0 10622 BC 7 PET CZ CAP 0.100000 12.0110 0 10623 BC 7 PET C2 CL 0.630000 12.0110 0 10624 BC 7 PET O21 OBL -0.520000 15.9990 0 10625 BC 7 PET O22 OSL -0.340000 15.9990 0 10626 BC 7 PET C4 CTL2 -0.050000 12.0110 0 10627 BC 7 PET H41 HAL2 0.090000 1.0080 0 10628 BC 7 PET H42 HAL2 0.090000 1.0080 0 10629 BC 8 PET CD1 CAP -0.115000 12.0110 0 10630 BC 8 PET HD1 HP 0.115000 1.0080 0 10631 BC 8 PET CE1 CAP -0.115000 12.0110 0 10632 BC 8 PET HE1 HP 0.115000 1.0080 0 10633 BC 8 PET CD2 CAP -0.115000 12.0110 0 10634 BC 8 PET HD2 HP 0.115000 1.0080 0 10635 BC 8 PET CE2 CAP -0.115000 12.0110 0 10636 BC 8 PET HE2 HP 0.115000 1.0080 0 10637 BC 8 PET CG CAP 0.100000 12.0110 0 10638 BC 8 PET C1 CL 0.630000 12.0110 0 10639 BC 8 PET O11 OBL -0.520000 15.9990 0 10640 BC 8 PET O12 OSL -0.340000 15.9990 0 10641 BC 8 PET C3 CTL2 -0.050000 12.0110 0 10642 BC 8 PET H31 HAL2 0.090000 1.0080 0 10643 BC 8 PET H32 HAL2 0.090000 1.0080 0 10644 BC 8 PET CZ CAP 0.100000 12.0110 0 10645 BC 8 PET C2 CL 0.630000 12.0110 0 10646 BC 8 PET O21 OBL -0.520000 15.9990 0 10647 BC 8 PET O22 OSL -0.340000 15.9990 0 10648 BC 8 PET C4 CTL2 -0.050000 12.0110 0 10649 BC 8 PET H41 HAL2 0.090000 1.0080 0 10650 BC 8 PET H42 HAL2 0.090000 1.0080 0 10651 BC 9 PET C1 CD 0.750000 12.0110 0 10652 BC 9 PET O11 OB -0.550000 15.9990 0 10653 BC 9 PET O12 OH1 -0.610000 15.9990 0 10654 BC 9 PET CG CAP -0.030000 12.0110 0 10655 BC 9 PET H12 H 0.440000 1.0080 0 10656 BC 9 PET CD1 CAP -0.115000 12.0110 0 10657 BC 9 PET HD1 HP 0.115000 1.0080 0 10658 BC 9 PET CE1 CAP -0.115000 12.0110 0 10659 BC 9 PET HE1 HP 0.115000 1.0080 0 10660 BC 9 PET CD2 CAP -0.115000 12.0110 0 10661 BC 9 PET HD2 HP 0.115000 1.0080 0 10662 BC 9 PET CE2 CAP -0.115000 12.0110 0 10663 BC 9 PET HE2 HP 0.115000 1.0080 0 10664 BC 9 PET CZ CAP 0.100000 12.0110 0 10665 BC 9 PET C2 CL 0.630000 12.0110 0 10666 BC 9 PET O21 OBL -0.520000 15.9990 0 10667 BC 9 PET O22 OSL -0.340000 15.9990 0 10668 BC 9 PET C4 CTL2 -0.050000 12.0110 0 10669 BC 9 PET H41 HAL2 0.090000 1.0080 0 10670 BC 9 PET H42 HAL2 0.090000 1.0080 0 10671 BD 1 PET C2 CD 0.750000 12.0110 0 10672 BD 1 PET O21 OB -0.550000 15.9990 0 10673 BD 1 PET O22 OH1 -0.610000 15.9990 0 10674 BD 1 PET CZ CAP -0.030000 12.0110 0 10675 BD 1 PET H22 H 0.440000 1.0080 0 10676 BD 1 PET CD1 CAP -0.115000 12.0110 0 10677 BD 1 PET HD1 HP 0.115000 1.0080 0 10678 BD 1 PET CE1 CAP -0.115000 12.0110 0 10679 BD 1 PET HE1 HP 0.115000 1.0080 0 10680 BD 1 PET CD2 CAP -0.115000 12.0110 0 10681 BD 1 PET HD2 HP 0.115000 1.0080 0 10682 BD 1 PET CE2 CAP -0.115000 12.0110 0 10683 BD 1 PET HE2 HP 0.115000 1.0080 0 10684 BD 1 PET CG CAP 0.100000 12.0110 0 10685 BD 1 PET C1 CL 0.630000 12.0110 0 10686 BD 1 PET O11 OBL -0.520000 15.9990 0 10687 BD 1 PET O12 OSL -0.340000 15.9990 0 10688 BD 1 PET C3 CTL2 -0.050000 12.0110 0 10689 BD 1 PET H31 HAL2 0.090000 1.0080 0 10690 BD 1 PET H32 HAL2 0.090000 1.0080 0 10691 BD 2 PET CD1 CAP -0.115000 12.0110 0 10692 BD 2 PET HD1 HP 0.115000 1.0080 0 10693 BD 2 PET CE1 CAP -0.115000 12.0110 0 10694 BD 2 PET HE1 HP 0.115000 1.0080 0 10695 BD 2 PET CD2 CAP -0.115000 12.0110 0 10696 BD 2 PET HD2 HP 0.115000 1.0080 0 10697 BD 2 PET CE2 CAP -0.115000 12.0110 0 10698 BD 2 PET HE2 HP 0.115000 1.0080 0 10699 BD 2 PET CG CAP 0.100000 12.0110 0 10700 BD 2 PET C1 CL 0.630000 12.0110 0 10701 BD 2 PET O11 OBL -0.520000 15.9990 0 10702 BD 2 PET O12 OSL -0.340000 15.9990 0 10703 BD 2 PET C3 CTL2 -0.050000 12.0110 0 10704 BD 2 PET H31 HAL2 0.090000 1.0080 0 10705 BD 2 PET H32 HAL2 0.090000 1.0080 0 10706 BD 2 PET CZ CAP 0.100000 12.0110 0 10707 BD 2 PET C2 CL 0.630000 12.0110 0 10708 BD 2 PET O21 OBL -0.520000 15.9990 0 10709 BD 2 PET O22 OSL -0.340000 15.9990 0 10710 BD 2 PET C4 CTL2 -0.050000 12.0110 0 10711 BD 2 PET H41 HAL2 0.090000 1.0080 0 10712 BD 2 PET H42 HAL2 0.090000 1.0080 0 10713 BD 3 PET CD1 CAP -0.115000 12.0110 0 10714 BD 3 PET HD1 HP 0.115000 1.0080 0 10715 BD 3 PET CE1 CAP -0.115000 12.0110 0 10716 BD 3 PET HE1 HP 0.115000 1.0080 0 10717 BD 3 PET CD2 CAP -0.115000 12.0110 0 10718 BD 3 PET HD2 HP 0.115000 1.0080 0 10719 BD 3 PET CE2 CAP -0.115000 12.0110 0 10720 BD 3 PET HE2 HP 0.115000 1.0080 0 10721 BD 3 PET CG CAP 0.100000 12.0110 0 10722 BD 3 PET C1 CL 0.630000 12.0110 0 10723 BD 3 PET O11 OBL -0.520000 15.9990 0 10724 BD 3 PET O12 OSL -0.340000 15.9990 0 10725 BD 3 PET C3 CTL2 -0.050000 12.0110 0 10726 BD 3 PET H31 HAL2 0.090000 1.0080 0 10727 BD 3 PET H32 HAL2 0.090000 1.0080 0 10728 BD 3 PET CZ CAP 0.100000 12.0110 0 10729 BD 3 PET C2 CL 0.630000 12.0110 0 10730 BD 3 PET O21 OBL -0.520000 15.9990 0 10731 BD 3 PET O22 OSL -0.340000 15.9990 0 10732 BD 3 PET C4 CTL2 -0.050000 12.0110 0 10733 BD 3 PET H41 HAL2 0.090000 1.0080 0 10734 BD 3 PET H42 HAL2 0.090000 1.0080 0 10735 BD 4 PET CD1 CAP -0.115000 12.0110 0 10736 BD 4 PET HD1 HP 0.115000 1.0080 0 10737 BD 4 PET CE1 CAP -0.115000 12.0110 0 10738 BD 4 PET HE1 HP 0.115000 1.0080 0 10739 BD 4 PET CD2 CAP -0.115000 12.0110 0 10740 BD 4 PET HD2 HP 0.115000 1.0080 0 10741 BD 4 PET CE2 CAP -0.115000 12.0110 0 10742 BD 4 PET HE2 HP 0.115000 1.0080 0 10743 BD 4 PET CG CAP 0.100000 12.0110 0 10744 BD 4 PET C1 CL 0.630000 12.0110 0 10745 BD 4 PET O11 OBL -0.520000 15.9990 0 10746 BD 4 PET O12 OSL -0.340000 15.9990 0 10747 BD 4 PET C3 CTL2 -0.050000 12.0110 0 10748 BD 4 PET H31 HAL2 0.090000 1.0080 0 10749 BD 4 PET H32 HAL2 0.090000 1.0080 0 10750 BD 4 PET CZ CAP 0.100000 12.0110 0 10751 BD 4 PET C2 CL 0.630000 12.0110 0 10752 BD 4 PET O21 OBL -0.520000 15.9990 0 10753 BD 4 PET O22 OSL -0.340000 15.9990 0 10754 BD 4 PET C4 CTL2 -0.050000 12.0110 0 10755 BD 4 PET H41 HAL2 0.090000 1.0080 0 10756 BD 4 PET H42 HAL2 0.090000 1.0080 0 10757 BD 5 PET CD1 CAP -0.115000 12.0110 0 10758 BD 5 PET HD1 HP 0.115000 1.0080 0 10759 BD 5 PET CE1 CAP -0.115000 12.0110 0 10760 BD 5 PET HE1 HP 0.115000 1.0080 0 10761 BD 5 PET CD2 CAP -0.115000 12.0110 0 10762 BD 5 PET HD2 HP 0.115000 1.0080 0 10763 BD 5 PET CE2 CAP -0.115000 12.0110 0 10764 BD 5 PET HE2 HP 0.115000 1.0080 0 10765 BD 5 PET CG CAP 0.100000 12.0110 0 10766 BD 5 PET C1 CL 0.630000 12.0110 0 10767 BD 5 PET O11 OBL -0.520000 15.9990 0 10768 BD 5 PET O12 OSL -0.340000 15.9990 0 10769 BD 5 PET C3 CTL2 -0.050000 12.0110 0 10770 BD 5 PET H31 HAL2 0.090000 1.0080 0 10771 BD 5 PET H32 HAL2 0.090000 1.0080 0 10772 BD 5 PET CZ CAP 0.100000 12.0110 0 10773 BD 5 PET C2 CL 0.630000 12.0110 0 10774 BD 5 PET O21 OBL -0.520000 15.9990 0 10775 BD 5 PET O22 OSL -0.340000 15.9990 0 10776 BD 5 PET C4 CTL2 -0.050000 12.0110 0 10777 BD 5 PET H41 HAL2 0.090000 1.0080 0 10778 BD 5 PET H42 HAL2 0.090000 1.0080 0 10779 BD 6 PET CD1 CAP -0.115000 12.0110 0 10780 BD 6 PET HD1 HP 0.115000 1.0080 0 10781 BD 6 PET CE1 CAP -0.115000 12.0110 0 10782 BD 6 PET HE1 HP 0.115000 1.0080 0 10783 BD 6 PET CD2 CAP -0.115000 12.0110 0 10784 BD 6 PET HD2 HP 0.115000 1.0080 0 10785 BD 6 PET CE2 CAP -0.115000 12.0110 0 10786 BD 6 PET HE2 HP 0.115000 1.0080 0 10787 BD 6 PET CG CAP 0.100000 12.0110 0 10788 BD 6 PET C1 CL 0.630000 12.0110 0 10789 BD 6 PET O11 OBL -0.520000 15.9990 0 10790 BD 6 PET O12 OSL -0.340000 15.9990 0 10791 BD 6 PET C3 CTL2 -0.050000 12.0110 0 10792 BD 6 PET H31 HAL2 0.090000 1.0080 0 10793 BD 6 PET H32 HAL2 0.090000 1.0080 0 10794 BD 6 PET CZ CAP 0.100000 12.0110 0 10795 BD 6 PET C2 CL 0.630000 12.0110 0 10796 BD 6 PET O21 OBL -0.520000 15.9990 0 10797 BD 6 PET O22 OSL -0.340000 15.9990 0 10798 BD 6 PET C4 CTL2 -0.050000 12.0110 0 10799 BD 6 PET H41 HAL2 0.090000 1.0080 0 10800 BD 6 PET H42 HAL2 0.090000 1.0080 0 10801 BD 7 PET CD1 CAP -0.115000 12.0110 0 10802 BD 7 PET HD1 HP 0.115000 1.0080 0 10803 BD 7 PET CE1 CAP -0.115000 12.0110 0 10804 BD 7 PET HE1 HP 0.115000 1.0080 0 10805 BD 7 PET CD2 CAP -0.115000 12.0110 0 10806 BD 7 PET HD2 HP 0.115000 1.0080 0 10807 BD 7 PET CE2 CAP -0.115000 12.0110 0 10808 BD 7 PET HE2 HP 0.115000 1.0080 0 10809 BD 7 PET CG CAP 0.100000 12.0110 0 10810 BD 7 PET C1 CL 0.630000 12.0110 0 10811 BD 7 PET O11 OBL -0.520000 15.9990 0 10812 BD 7 PET O12 OSL -0.340000 15.9990 0 10813 BD 7 PET C3 CTL2 -0.050000 12.0110 0 10814 BD 7 PET H31 HAL2 0.090000 1.0080 0 10815 BD 7 PET H32 HAL2 0.090000 1.0080 0 10816 BD 7 PET CZ CAP 0.100000 12.0110 0 10817 BD 7 PET C2 CL 0.630000 12.0110 0 10818 BD 7 PET O21 OBL -0.520000 15.9990 0 10819 BD 7 PET O22 OSL -0.340000 15.9990 0 10820 BD 7 PET C4 CTL2 -0.050000 12.0110 0 10821 BD 7 PET H41 HAL2 0.090000 1.0080 0 10822 BD 7 PET H42 HAL2 0.090000 1.0080 0 10823 BD 8 PET CD1 CAP -0.115000 12.0110 0 10824 BD 8 PET HD1 HP 0.115000 1.0080 0 10825 BD 8 PET CE1 CAP -0.115000 12.0110 0 10826 BD 8 PET HE1 HP 0.115000 1.0080 0 10827 BD 8 PET CD2 CAP -0.115000 12.0110 0 10828 BD 8 PET HD2 HP 0.115000 1.0080 0 10829 BD 8 PET CE2 CAP -0.115000 12.0110 0 10830 BD 8 PET HE2 HP 0.115000 1.0080 0 10831 BD 8 PET CG CAP 0.100000 12.0110 0 10832 BD 8 PET C1 CL 0.630000 12.0110 0 10833 BD 8 PET O11 OBL -0.520000 15.9990 0 10834 BD 8 PET O12 OSL -0.340000 15.9990 0 10835 BD 8 PET C3 CTL2 -0.050000 12.0110 0 10836 BD 8 PET H31 HAL2 0.090000 1.0080 0 10837 BD 8 PET H32 HAL2 0.090000 1.0080 0 10838 BD 8 PET CZ CAP 0.100000 12.0110 0 10839 BD 8 PET C2 CL 0.630000 12.0110 0 10840 BD 8 PET O21 OBL -0.520000 15.9990 0 10841 BD 8 PET O22 OSL -0.340000 15.9990 0 10842 BD 8 PET C4 CTL2 -0.050000 12.0110 0 10843 BD 8 PET H41 HAL2 0.090000 1.0080 0 10844 BD 8 PET H42 HAL2 0.090000 1.0080 0 10845 BD 9 PET C1 CD 0.750000 12.0110 0 10846 BD 9 PET O11 OB -0.550000 15.9990 0 10847 BD 9 PET O12 OH1 -0.610000 15.9990 0 10848 BD 9 PET CG CAP -0.030000 12.0110 0 10849 BD 9 PET H12 H 0.440000 1.0080 0 10850 BD 9 PET CD1 CAP -0.115000 12.0110 0 10851 BD 9 PET HD1 HP 0.115000 1.0080 0 10852 BD 9 PET CE1 CAP -0.115000 12.0110 0 10853 BD 9 PET HE1 HP 0.115000 1.0080 0 10854 BD 9 PET CD2 CAP -0.115000 12.0110 0 10855 BD 9 PET HD2 HP 0.115000 1.0080 0 10856 BD 9 PET CE2 CAP -0.115000 12.0110 0 10857 BD 9 PET HE2 HP 0.115000 1.0080 0 10858 BD 9 PET CZ CAP 0.100000 12.0110 0 10859 BD 9 PET C2 CL 0.630000 12.0110 0 10860 BD 9 PET O21 OBL -0.520000 15.9990 0 10861 BD 9 PET O22 OSL -0.340000 15.9990 0 10862 BD 9 PET C4 CTL2 -0.050000 12.0110 0 10863 BD 9 PET H41 HAL2 0.090000 1.0080 0 10864 BD 9 PET H42 HAL2 0.090000 1.0080 0 10865 BE 1 PET C2 CD 0.750000 12.0110 0 10866 BE 1 PET O21 OB -0.550000 15.9990 0 10867 BE 1 PET O22 OH1 -0.610000 15.9990 0 10868 BE 1 PET CZ CAP -0.030000 12.0110 0 10869 BE 1 PET H22 H 0.440000 1.0080 0 10870 BE 1 PET CD1 CAP -0.115000 12.0110 0 10871 BE 1 PET HD1 HP 0.115000 1.0080 0 10872 BE 1 PET CE1 CAP -0.115000 12.0110 0 10873 BE 1 PET HE1 HP 0.115000 1.0080 0 10874 BE 1 PET CD2 CAP -0.115000 12.0110 0 10875 BE 1 PET HD2 HP 0.115000 1.0080 0 10876 BE 1 PET CE2 CAP -0.115000 12.0110 0 10877 BE 1 PET HE2 HP 0.115000 1.0080 0 10878 BE 1 PET CG CAP 0.100000 12.0110 0 10879 BE 1 PET C1 CL 0.630000 12.0110 0 10880 BE 1 PET O11 OBL -0.520000 15.9990 0 10881 BE 1 PET O12 OSL -0.340000 15.9990 0 10882 BE 1 PET C3 CTL2 -0.050000 12.0110 0 10883 BE 1 PET H31 HAL2 0.090000 1.0080 0 10884 BE 1 PET H32 HAL2 0.090000 1.0080 0 10885 BE 2 PET CD1 CAP -0.115000 12.0110 0 10886 BE 2 PET HD1 HP 0.115000 1.0080 0 10887 BE 2 PET CE1 CAP -0.115000 12.0110 0 10888 BE 2 PET HE1 HP 0.115000 1.0080 0 10889 BE 2 PET CD2 CAP -0.115000 12.0110 0 10890 BE 2 PET HD2 HP 0.115000 1.0080 0 10891 BE 2 PET CE2 CAP -0.115000 12.0110 0 10892 BE 2 PET HE2 HP 0.115000 1.0080 0 10893 BE 2 PET CG CAP 0.100000 12.0110 0 10894 BE 2 PET C1 CL 0.630000 12.0110 0 10895 BE 2 PET O11 OBL -0.520000 15.9990 0 10896 BE 2 PET O12 OSL -0.340000 15.9990 0 10897 BE 2 PET C3 CTL2 -0.050000 12.0110 0 10898 BE 2 PET H31 HAL2 0.090000 1.0080 0 10899 BE 2 PET H32 HAL2 0.090000 1.0080 0 10900 BE 2 PET CZ CAP 0.100000 12.0110 0 10901 BE 2 PET C2 CL 0.630000 12.0110 0 10902 BE 2 PET O21 OBL -0.520000 15.9990 0 10903 BE 2 PET O22 OSL -0.340000 15.9990 0 10904 BE 2 PET C4 CTL2 -0.050000 12.0110 0 10905 BE 2 PET H41 HAL2 0.090000 1.0080 0 10906 BE 2 PET H42 HAL2 0.090000 1.0080 0 10907 BE 3 PET CD1 CAP -0.115000 12.0110 0 10908 BE 3 PET HD1 HP 0.115000 1.0080 0 10909 BE 3 PET CE1 CAP -0.115000 12.0110 0 10910 BE 3 PET HE1 HP 0.115000 1.0080 0 10911 BE 3 PET CD2 CAP -0.115000 12.0110 0 10912 BE 3 PET HD2 HP 0.115000 1.0080 0 10913 BE 3 PET CE2 CAP -0.115000 12.0110 0 10914 BE 3 PET HE2 HP 0.115000 1.0080 0 10915 BE 3 PET CG CAP 0.100000 12.0110 0 10916 BE 3 PET C1 CL 0.630000 12.0110 0 10917 BE 3 PET O11 OBL -0.520000 15.9990 0 10918 BE 3 PET O12 OSL -0.340000 15.9990 0 10919 BE 3 PET C3 CTL2 -0.050000 12.0110 0 10920 BE 3 PET H31 HAL2 0.090000 1.0080 0 10921 BE 3 PET H32 HAL2 0.090000 1.0080 0 10922 BE 3 PET CZ CAP 0.100000 12.0110 0 10923 BE 3 PET C2 CL 0.630000 12.0110 0 10924 BE 3 PET O21 OBL -0.520000 15.9990 0 10925 BE 3 PET O22 OSL -0.340000 15.9990 0 10926 BE 3 PET C4 CTL2 -0.050000 12.0110 0 10927 BE 3 PET H41 HAL2 0.090000 1.0080 0 10928 BE 3 PET H42 HAL2 0.090000 1.0080 0 10929 BE 4 PET CD1 CAP -0.115000 12.0110 0 10930 BE 4 PET HD1 HP 0.115000 1.0080 0 10931 BE 4 PET CE1 CAP -0.115000 12.0110 0 10932 BE 4 PET HE1 HP 0.115000 1.0080 0 10933 BE 4 PET CD2 CAP -0.115000 12.0110 0 10934 BE 4 PET HD2 HP 0.115000 1.0080 0 10935 BE 4 PET CE2 CAP -0.115000 12.0110 0 10936 BE 4 PET HE2 HP 0.115000 1.0080 0 10937 BE 4 PET CG CAP 0.100000 12.0110 0 10938 BE 4 PET C1 CL 0.630000 12.0110 0 10939 BE 4 PET O11 OBL -0.520000 15.9990 0 10940 BE 4 PET O12 OSL -0.340000 15.9990 0 10941 BE 4 PET C3 CTL2 -0.050000 12.0110 0 10942 BE 4 PET H31 HAL2 0.090000 1.0080 0 10943 BE 4 PET H32 HAL2 0.090000 1.0080 0 10944 BE 4 PET CZ CAP 0.100000 12.0110 0 10945 BE 4 PET C2 CL 0.630000 12.0110 0 10946 BE 4 PET O21 OBL -0.520000 15.9990 0 10947 BE 4 PET O22 OSL -0.340000 15.9990 0 10948 BE 4 PET C4 CTL2 -0.050000 12.0110 0 10949 BE 4 PET H41 HAL2 0.090000 1.0080 0 10950 BE 4 PET H42 HAL2 0.090000 1.0080 0 10951 BE 5 PET CD1 CAP -0.115000 12.0110 0 10952 BE 5 PET HD1 HP 0.115000 1.0080 0 10953 BE 5 PET CE1 CAP -0.115000 12.0110 0 10954 BE 5 PET HE1 HP 0.115000 1.0080 0 10955 BE 5 PET CD2 CAP -0.115000 12.0110 0 10956 BE 5 PET HD2 HP 0.115000 1.0080 0 10957 BE 5 PET CE2 CAP -0.115000 12.0110 0 10958 BE 5 PET HE2 HP 0.115000 1.0080 0 10959 BE 5 PET CG CAP 0.100000 12.0110 0 10960 BE 5 PET C1 CL 0.630000 12.0110 0 10961 BE 5 PET O11 OBL -0.520000 15.9990 0 10962 BE 5 PET O12 OSL -0.340000 15.9990 0 10963 BE 5 PET C3 CTL2 -0.050000 12.0110 0 10964 BE 5 PET H31 HAL2 0.090000 1.0080 0 10965 BE 5 PET H32 HAL2 0.090000 1.0080 0 10966 BE 5 PET CZ CAP 0.100000 12.0110 0 10967 BE 5 PET C2 CL 0.630000 12.0110 0 10968 BE 5 PET O21 OBL -0.520000 15.9990 0 10969 BE 5 PET O22 OSL -0.340000 15.9990 0 10970 BE 5 PET C4 CTL2 -0.050000 12.0110 0 10971 BE 5 PET H41 HAL2 0.090000 1.0080 0 10972 BE 5 PET H42 HAL2 0.090000 1.0080 0 10973 BE 6 PET CD1 CAP -0.115000 12.0110 0 10974 BE 6 PET HD1 HP 0.115000 1.0080 0 10975 BE 6 PET CE1 CAP -0.115000 12.0110 0 10976 BE 6 PET HE1 HP 0.115000 1.0080 0 10977 BE 6 PET CD2 CAP -0.115000 12.0110 0 10978 BE 6 PET HD2 HP 0.115000 1.0080 0 10979 BE 6 PET CE2 CAP -0.115000 12.0110 0 10980 BE 6 PET HE2 HP 0.115000 1.0080 0 10981 BE 6 PET CG CAP 0.100000 12.0110 0 10982 BE 6 PET C1 CL 0.630000 12.0110 0 10983 BE 6 PET O11 OBL -0.520000 15.9990 0 10984 BE 6 PET O12 OSL -0.340000 15.9990 0 10985 BE 6 PET C3 CTL2 -0.050000 12.0110 0 10986 BE 6 PET H31 HAL2 0.090000 1.0080 0 10987 BE 6 PET H32 HAL2 0.090000 1.0080 0 10988 BE 6 PET CZ CAP 0.100000 12.0110 0 10989 BE 6 PET C2 CL 0.630000 12.0110 0 10990 BE 6 PET O21 OBL -0.520000 15.9990 0 10991 BE 6 PET O22 OSL -0.340000 15.9990 0 10992 BE 6 PET C4 CTL2 -0.050000 12.0110 0 10993 BE 6 PET H41 HAL2 0.090000 1.0080 0 10994 BE 6 PET H42 HAL2 0.090000 1.0080 0 10995 BE 7 PET CD1 CAP -0.115000 12.0110 0 10996 BE 7 PET HD1 HP 0.115000 1.0080 0 10997 BE 7 PET CE1 CAP -0.115000 12.0110 0 10998 BE 7 PET HE1 HP 0.115000 1.0080 0 10999 BE 7 PET CD2 CAP -0.115000 12.0110 0 11000 BE 7 PET HD2 HP 0.115000 1.0080 0 11001 BE 7 PET CE2 CAP -0.115000 12.0110 0 11002 BE 7 PET HE2 HP 0.115000 1.0080 0 11003 BE 7 PET CG CAP 0.100000 12.0110 0 11004 BE 7 PET C1 CL 0.630000 12.0110 0 11005 BE 7 PET O11 OBL -0.520000 15.9990 0 11006 BE 7 PET O12 OSL -0.340000 15.9990 0 11007 BE 7 PET C3 CTL2 -0.050000 12.0110 0 11008 BE 7 PET H31 HAL2 0.090000 1.0080 0 11009 BE 7 PET H32 HAL2 0.090000 1.0080 0 11010 BE 7 PET CZ CAP 0.100000 12.0110 0 11011 BE 7 PET C2 CL 0.630000 12.0110 0 11012 BE 7 PET O21 OBL -0.520000 15.9990 0 11013 BE 7 PET O22 OSL -0.340000 15.9990 0 11014 BE 7 PET C4 CTL2 -0.050000 12.0110 0 11015 BE 7 PET H41 HAL2 0.090000 1.0080 0 11016 BE 7 PET H42 HAL2 0.090000 1.0080 0 11017 BE 8 PET CD1 CAP -0.115000 12.0110 0 11018 BE 8 PET HD1 HP 0.115000 1.0080 0 11019 BE 8 PET CE1 CAP -0.115000 12.0110 0 11020 BE 8 PET HE1 HP 0.115000 1.0080 0 11021 BE 8 PET CD2 CAP -0.115000 12.0110 0 11022 BE 8 PET HD2 HP 0.115000 1.0080 0 11023 BE 8 PET CE2 CAP -0.115000 12.0110 0 11024 BE 8 PET HE2 HP 0.115000 1.0080 0 11025 BE 8 PET CG CAP 0.100000 12.0110 0 11026 BE 8 PET C1 CL 0.630000 12.0110 0 11027 BE 8 PET O11 OBL -0.520000 15.9990 0 11028 BE 8 PET O12 OSL -0.340000 15.9990 0 11029 BE 8 PET C3 CTL2 -0.050000 12.0110 0 11030 BE 8 PET H31 HAL2 0.090000 1.0080 0 11031 BE 8 PET H32 HAL2 0.090000 1.0080 0 11032 BE 8 PET CZ CAP 0.100000 12.0110 0 11033 BE 8 PET C2 CL 0.630000 12.0110 0 11034 BE 8 PET O21 OBL -0.520000 15.9990 0 11035 BE 8 PET O22 OSL -0.340000 15.9990 0 11036 BE 8 PET C4 CTL2 -0.050000 12.0110 0 11037 BE 8 PET H41 HAL2 0.090000 1.0080 0 11038 BE 8 PET H42 HAL2 0.090000 1.0080 0 11039 BE 9 PET C1 CD 0.750000 12.0110 0 11040 BE 9 PET O11 OB -0.550000 15.9990 0 11041 BE 9 PET O12 OH1 -0.610000 15.9990 0 11042 BE 9 PET CG CAP -0.030000 12.0110 0 11043 BE 9 PET H12 H 0.440000 1.0080 0 11044 BE 9 PET CD1 CAP -0.115000 12.0110 0 11045 BE 9 PET HD1 HP 0.115000 1.0080 0 11046 BE 9 PET CE1 CAP -0.115000 12.0110 0 11047 BE 9 PET HE1 HP 0.115000 1.0080 0 11048 BE 9 PET CD2 CAP -0.115000 12.0110 0 11049 BE 9 PET HD2 HP 0.115000 1.0080 0 11050 BE 9 PET CE2 CAP -0.115000 12.0110 0 11051 BE 9 PET HE2 HP 0.115000 1.0080 0 11052 BE 9 PET CZ CAP 0.100000 12.0110 0 11053 BE 9 PET C2 CL 0.630000 12.0110 0 11054 BE 9 PET O21 OBL -0.520000 15.9990 0 11055 BE 9 PET O22 OSL -0.340000 15.9990 0 11056 BE 9 PET C4 CTL2 -0.050000 12.0110 0 11057 BE 9 PET H41 HAL2 0.090000 1.0080 0 11058 BE 9 PET H42 HAL2 0.090000 1.0080 0 11059 BF 1 PET C2 CD 0.750000 12.0110 0 11060 BF 1 PET O21 OB -0.550000 15.9990 0 11061 BF 1 PET O22 OH1 -0.610000 15.9990 0 11062 BF 1 PET CZ CAP -0.030000 12.0110 0 11063 BF 1 PET H22 H 0.440000 1.0080 0 11064 BF 1 PET CD1 CAP -0.115000 12.0110 0 11065 BF 1 PET HD1 HP 0.115000 1.0080 0 11066 BF 1 PET CE1 CAP -0.115000 12.0110 0 11067 BF 1 PET HE1 HP 0.115000 1.0080 0 11068 BF 1 PET CD2 CAP -0.115000 12.0110 0 11069 BF 1 PET HD2 HP 0.115000 1.0080 0 11070 BF 1 PET CE2 CAP -0.115000 12.0110 0 11071 BF 1 PET HE2 HP 0.115000 1.0080 0 11072 BF 1 PET CG CAP 0.100000 12.0110 0 11073 BF 1 PET C1 CL 0.630000 12.0110 0 11074 BF 1 PET O11 OBL -0.520000 15.9990 0 11075 BF 1 PET O12 OSL -0.340000 15.9990 0 11076 BF 1 PET C3 CTL2 -0.050000 12.0110 0 11077 BF 1 PET H31 HAL2 0.090000 1.0080 0 11078 BF 1 PET H32 HAL2 0.090000 1.0080 0 11079 BF 2 PET CD1 CAP -0.115000 12.0110 0 11080 BF 2 PET HD1 HP 0.115000 1.0080 0 11081 BF 2 PET CE1 CAP -0.115000 12.0110 0 11082 BF 2 PET HE1 HP 0.115000 1.0080 0 11083 BF 2 PET CD2 CAP -0.115000 12.0110 0 11084 BF 2 PET HD2 HP 0.115000 1.0080 0 11085 BF 2 PET CE2 CAP -0.115000 12.0110 0 11086 BF 2 PET HE2 HP 0.115000 1.0080 0 11087 BF 2 PET CG CAP 0.100000 12.0110 0 11088 BF 2 PET C1 CL 0.630000 12.0110 0 11089 BF 2 PET O11 OBL -0.520000 15.9990 0 11090 BF 2 PET O12 OSL -0.340000 15.9990 0 11091 BF 2 PET C3 CTL2 -0.050000 12.0110 0 11092 BF 2 PET H31 HAL2 0.090000 1.0080 0 11093 BF 2 PET H32 HAL2 0.090000 1.0080 0 11094 BF 2 PET CZ CAP 0.100000 12.0110 0 11095 BF 2 PET C2 CL 0.630000 12.0110 0 11096 BF 2 PET O21 OBL -0.520000 15.9990 0 11097 BF 2 PET O22 OSL -0.340000 15.9990 0 11098 BF 2 PET C4 CTL2 -0.050000 12.0110 0 11099 BF 2 PET H41 HAL2 0.090000 1.0080 0 11100 BF 2 PET H42 HAL2 0.090000 1.0080 0 11101 BF 3 PET CD1 CAP -0.115000 12.0110 0 11102 BF 3 PET HD1 HP 0.115000 1.0080 0 11103 BF 3 PET CE1 CAP -0.115000 12.0110 0 11104 BF 3 PET HE1 HP 0.115000 1.0080 0 11105 BF 3 PET CD2 CAP -0.115000 12.0110 0 11106 BF 3 PET HD2 HP 0.115000 1.0080 0 11107 BF 3 PET CE2 CAP -0.115000 12.0110 0 11108 BF 3 PET HE2 HP 0.115000 1.0080 0 11109 BF 3 PET CG CAP 0.100000 12.0110 0 11110 BF 3 PET C1 CL 0.630000 12.0110 0 11111 BF 3 PET O11 OBL -0.520000 15.9990 0 11112 BF 3 PET O12 OSL -0.340000 15.9990 0 11113 BF 3 PET C3 CTL2 -0.050000 12.0110 0 11114 BF 3 PET H31 HAL2 0.090000 1.0080 0 11115 BF 3 PET H32 HAL2 0.090000 1.0080 0 11116 BF 3 PET CZ CAP 0.100000 12.0110 0 11117 BF 3 PET C2 CL 0.630000 12.0110 0 11118 BF 3 PET O21 OBL -0.520000 15.9990 0 11119 BF 3 PET O22 OSL -0.340000 15.9990 0 11120 BF 3 PET C4 CTL2 -0.050000 12.0110 0 11121 BF 3 PET H41 HAL2 0.090000 1.0080 0 11122 BF 3 PET H42 HAL2 0.090000 1.0080 0 11123 BF 4 PET CD1 CAP -0.115000 12.0110 0 11124 BF 4 PET HD1 HP 0.115000 1.0080 0 11125 BF 4 PET CE1 CAP -0.115000 12.0110 0 11126 BF 4 PET HE1 HP 0.115000 1.0080 0 11127 BF 4 PET CD2 CAP -0.115000 12.0110 0 11128 BF 4 PET HD2 HP 0.115000 1.0080 0 11129 BF 4 PET CE2 CAP -0.115000 12.0110 0 11130 BF 4 PET HE2 HP 0.115000 1.0080 0 11131 BF 4 PET CG CAP 0.100000 12.0110 0 11132 BF 4 PET C1 CL 0.630000 12.0110 0 11133 BF 4 PET O11 OBL -0.520000 15.9990 0 11134 BF 4 PET O12 OSL -0.340000 15.9990 0 11135 BF 4 PET C3 CTL2 -0.050000 12.0110 0 11136 BF 4 PET H31 HAL2 0.090000 1.0080 0 11137 BF 4 PET H32 HAL2 0.090000 1.0080 0 11138 BF 4 PET CZ CAP 0.100000 12.0110 0 11139 BF 4 PET C2 CL 0.630000 12.0110 0 11140 BF 4 PET O21 OBL -0.520000 15.9990 0 11141 BF 4 PET O22 OSL -0.340000 15.9990 0 11142 BF 4 PET C4 CTL2 -0.050000 12.0110 0 11143 BF 4 PET H41 HAL2 0.090000 1.0080 0 11144 BF 4 PET H42 HAL2 0.090000 1.0080 0 11145 BF 5 PET CD1 CAP -0.115000 12.0110 0 11146 BF 5 PET HD1 HP 0.115000 1.0080 0 11147 BF 5 PET CE1 CAP -0.115000 12.0110 0 11148 BF 5 PET HE1 HP 0.115000 1.0080 0 11149 BF 5 PET CD2 CAP -0.115000 12.0110 0 11150 BF 5 PET HD2 HP 0.115000 1.0080 0 11151 BF 5 PET CE2 CAP -0.115000 12.0110 0 11152 BF 5 PET HE2 HP 0.115000 1.0080 0 11153 BF 5 PET CG CAP 0.100000 12.0110 0 11154 BF 5 PET C1 CL 0.630000 12.0110 0 11155 BF 5 PET O11 OBL -0.520000 15.9990 0 11156 BF 5 PET O12 OSL -0.340000 15.9990 0 11157 BF 5 PET C3 CTL2 -0.050000 12.0110 0 11158 BF 5 PET H31 HAL2 0.090000 1.0080 0 11159 BF 5 PET H32 HAL2 0.090000 1.0080 0 11160 BF 5 PET CZ CAP 0.100000 12.0110 0 11161 BF 5 PET C2 CL 0.630000 12.0110 0 11162 BF 5 PET O21 OBL -0.520000 15.9990 0 11163 BF 5 PET O22 OSL -0.340000 15.9990 0 11164 BF 5 PET C4 CTL2 -0.050000 12.0110 0 11165 BF 5 PET H41 HAL2 0.090000 1.0080 0 11166 BF 5 PET H42 HAL2 0.090000 1.0080 0 11167 BF 6 PET CD1 CAP -0.115000 12.0110 0 11168 BF 6 PET HD1 HP 0.115000 1.0080 0 11169 BF 6 PET CE1 CAP -0.115000 12.0110 0 11170 BF 6 PET HE1 HP 0.115000 1.0080 0 11171 BF 6 PET CD2 CAP -0.115000 12.0110 0 11172 BF 6 PET HD2 HP 0.115000 1.0080 0 11173 BF 6 PET CE2 CAP -0.115000 12.0110 0 11174 BF 6 PET HE2 HP 0.115000 1.0080 0 11175 BF 6 PET CG CAP 0.100000 12.0110 0 11176 BF 6 PET C1 CL 0.630000 12.0110 0 11177 BF 6 PET O11 OBL -0.520000 15.9990 0 11178 BF 6 PET O12 OSL -0.340000 15.9990 0 11179 BF 6 PET C3 CTL2 -0.050000 12.0110 0 11180 BF 6 PET H31 HAL2 0.090000 1.0080 0 11181 BF 6 PET H32 HAL2 0.090000 1.0080 0 11182 BF 6 PET CZ CAP 0.100000 12.0110 0 11183 BF 6 PET C2 CL 0.630000 12.0110 0 11184 BF 6 PET O21 OBL -0.520000 15.9990 0 11185 BF 6 PET O22 OSL -0.340000 15.9990 0 11186 BF 6 PET C4 CTL2 -0.050000 12.0110 0 11187 BF 6 PET H41 HAL2 0.090000 1.0080 0 11188 BF 6 PET H42 HAL2 0.090000 1.0080 0 11189 BF 7 PET CD1 CAP -0.115000 12.0110 0 11190 BF 7 PET HD1 HP 0.115000 1.0080 0 11191 BF 7 PET CE1 CAP -0.115000 12.0110 0 11192 BF 7 PET HE1 HP 0.115000 1.0080 0 11193 BF 7 PET CD2 CAP -0.115000 12.0110 0 11194 BF 7 PET HD2 HP 0.115000 1.0080 0 11195 BF 7 PET CE2 CAP -0.115000 12.0110 0 11196 BF 7 PET HE2 HP 0.115000 1.0080 0 11197 BF 7 PET CG CAP 0.100000 12.0110 0 11198 BF 7 PET C1 CL 0.630000 12.0110 0 11199 BF 7 PET O11 OBL -0.520000 15.9990 0 11200 BF 7 PET O12 OSL -0.340000 15.9990 0 11201 BF 7 PET C3 CTL2 -0.050000 12.0110 0 11202 BF 7 PET H31 HAL2 0.090000 1.0080 0 11203 BF 7 PET H32 HAL2 0.090000 1.0080 0 11204 BF 7 PET CZ CAP 0.100000 12.0110 0 11205 BF 7 PET C2 CL 0.630000 12.0110 0 11206 BF 7 PET O21 OBL -0.520000 15.9990 0 11207 BF 7 PET O22 OSL -0.340000 15.9990 0 11208 BF 7 PET C4 CTL2 -0.050000 12.0110 0 11209 BF 7 PET H41 HAL2 0.090000 1.0080 0 11210 BF 7 PET H42 HAL2 0.090000 1.0080 0 11211 BF 8 PET CD1 CAP -0.115000 12.0110 0 11212 BF 8 PET HD1 HP 0.115000 1.0080 0 11213 BF 8 PET CE1 CAP -0.115000 12.0110 0 11214 BF 8 PET HE1 HP 0.115000 1.0080 0 11215 BF 8 PET CD2 CAP -0.115000 12.0110 0 11216 BF 8 PET HD2 HP 0.115000 1.0080 0 11217 BF 8 PET CE2 CAP -0.115000 12.0110 0 11218 BF 8 PET HE2 HP 0.115000 1.0080 0 11219 BF 8 PET CG CAP 0.100000 12.0110 0 11220 BF 8 PET C1 CL 0.630000 12.0110 0 11221 BF 8 PET O11 OBL -0.520000 15.9990 0 11222 BF 8 PET O12 OSL -0.340000 15.9990 0 11223 BF 8 PET C3 CTL2 -0.050000 12.0110 0 11224 BF 8 PET H31 HAL2 0.090000 1.0080 0 11225 BF 8 PET H32 HAL2 0.090000 1.0080 0 11226 BF 8 PET CZ CAP 0.100000 12.0110 0 11227 BF 8 PET C2 CL 0.630000 12.0110 0 11228 BF 8 PET O21 OBL -0.520000 15.9990 0 11229 BF 8 PET O22 OSL -0.340000 15.9990 0 11230 BF 8 PET C4 CTL2 -0.050000 12.0110 0 11231 BF 8 PET H41 HAL2 0.090000 1.0080 0 11232 BF 8 PET H42 HAL2 0.090000 1.0080 0 11233 BF 9 PET C1 CD 0.750000 12.0110 0 11234 BF 9 PET O11 OB -0.550000 15.9990 0 11235 BF 9 PET O12 OH1 -0.610000 15.9990 0 11236 BF 9 PET CG CAP -0.030000 12.0110 0 11237 BF 9 PET H12 H 0.440000 1.0080 0 11238 BF 9 PET CD1 CAP -0.115000 12.0110 0 11239 BF 9 PET HD1 HP 0.115000 1.0080 0 11240 BF 9 PET CE1 CAP -0.115000 12.0110 0 11241 BF 9 PET HE1 HP 0.115000 1.0080 0 11242 BF 9 PET CD2 CAP -0.115000 12.0110 0 11243 BF 9 PET HD2 HP 0.115000 1.0080 0 11244 BF 9 PET CE2 CAP -0.115000 12.0110 0 11245 BF 9 PET HE2 HP 0.115000 1.0080 0 11246 BF 9 PET CZ CAP 0.100000 12.0110 0 11247 BF 9 PET C2 CL 0.630000 12.0110 0 11248 BF 9 PET O21 OBL -0.520000 15.9990 0 11249 BF 9 PET O22 OSL -0.340000 15.9990 0 11250 BF 9 PET C4 CTL2 -0.050000 12.0110 0 11251 BF 9 PET H41 HAL2 0.090000 1.0080 0 11252 BF 9 PET H42 HAL2 0.090000 1.0080 0 11253 BG 1 PET C2 CD 0.750000 12.0110 0 11254 BG 1 PET O21 OB -0.550000 15.9990 0 11255 BG 1 PET O22 OH1 -0.610000 15.9990 0 11256 BG 1 PET CZ CAP -0.030000 12.0110 0 11257 BG 1 PET H22 H 0.440000 1.0080 0 11258 BG 1 PET CD1 CAP -0.115000 12.0110 0 11259 BG 1 PET HD1 HP 0.115000 1.0080 0 11260 BG 1 PET CE1 CAP -0.115000 12.0110 0 11261 BG 1 PET HE1 HP 0.115000 1.0080 0 11262 BG 1 PET CD2 CAP -0.115000 12.0110 0 11263 BG 1 PET HD2 HP 0.115000 1.0080 0 11264 BG 1 PET CE2 CAP -0.115000 12.0110 0 11265 BG 1 PET HE2 HP 0.115000 1.0080 0 11266 BG 1 PET CG CAP 0.100000 12.0110 0 11267 BG 1 PET C1 CL 0.630000 12.0110 0 11268 BG 1 PET O11 OBL -0.520000 15.9990 0 11269 BG 1 PET O12 OSL -0.340000 15.9990 0 11270 BG 1 PET C3 CTL2 -0.050000 12.0110 0 11271 BG 1 PET H31 HAL2 0.090000 1.0080 0 11272 BG 1 PET H32 HAL2 0.090000 1.0080 0 11273 BG 2 PET CD1 CAP -0.115000 12.0110 0 11274 BG 2 PET HD1 HP 0.115000 1.0080 0 11275 BG 2 PET CE1 CAP -0.115000 12.0110 0 11276 BG 2 PET HE1 HP 0.115000 1.0080 0 11277 BG 2 PET CD2 CAP -0.115000 12.0110 0 11278 BG 2 PET HD2 HP 0.115000 1.0080 0 11279 BG 2 PET CE2 CAP -0.115000 12.0110 0 11280 BG 2 PET HE2 HP 0.115000 1.0080 0 11281 BG 2 PET CG CAP 0.100000 12.0110 0 11282 BG 2 PET C1 CL 0.630000 12.0110 0 11283 BG 2 PET O11 OBL -0.520000 15.9990 0 11284 BG 2 PET O12 OSL -0.340000 15.9990 0 11285 BG 2 PET C3 CTL2 -0.050000 12.0110 0 11286 BG 2 PET H31 HAL2 0.090000 1.0080 0 11287 BG 2 PET H32 HAL2 0.090000 1.0080 0 11288 BG 2 PET CZ CAP 0.100000 12.0110 0 11289 BG 2 PET C2 CL 0.630000 12.0110 0 11290 BG 2 PET O21 OBL -0.520000 15.9990 0 11291 BG 2 PET O22 OSL -0.340000 15.9990 0 11292 BG 2 PET C4 CTL2 -0.050000 12.0110 0 11293 BG 2 PET H41 HAL2 0.090000 1.0080 0 11294 BG 2 PET H42 HAL2 0.090000 1.0080 0 11295 BG 3 PET CD1 CAP -0.115000 12.0110 0 11296 BG 3 PET HD1 HP 0.115000 1.0080 0 11297 BG 3 PET CE1 CAP -0.115000 12.0110 0 11298 BG 3 PET HE1 HP 0.115000 1.0080 0 11299 BG 3 PET CD2 CAP -0.115000 12.0110 0 11300 BG 3 PET HD2 HP 0.115000 1.0080 0 11301 BG 3 PET CE2 CAP -0.115000 12.0110 0 11302 BG 3 PET HE2 HP 0.115000 1.0080 0 11303 BG 3 PET CG CAP 0.100000 12.0110 0 11304 BG 3 PET C1 CL 0.630000 12.0110 0 11305 BG 3 PET O11 OBL -0.520000 15.9990 0 11306 BG 3 PET O12 OSL -0.340000 15.9990 0 11307 BG 3 PET C3 CTL2 -0.050000 12.0110 0 11308 BG 3 PET H31 HAL2 0.090000 1.0080 0 11309 BG 3 PET H32 HAL2 0.090000 1.0080 0 11310 BG 3 PET CZ CAP 0.100000 12.0110 0 11311 BG 3 PET C2 CL 0.630000 12.0110 0 11312 BG 3 PET O21 OBL -0.520000 15.9990 0 11313 BG 3 PET O22 OSL -0.340000 15.9990 0 11314 BG 3 PET C4 CTL2 -0.050000 12.0110 0 11315 BG 3 PET H41 HAL2 0.090000 1.0080 0 11316 BG 3 PET H42 HAL2 0.090000 1.0080 0 11317 BG 4 PET CD1 CAP -0.115000 12.0110 0 11318 BG 4 PET HD1 HP 0.115000 1.0080 0 11319 BG 4 PET CE1 CAP -0.115000 12.0110 0 11320 BG 4 PET HE1 HP 0.115000 1.0080 0 11321 BG 4 PET CD2 CAP -0.115000 12.0110 0 11322 BG 4 PET HD2 HP 0.115000 1.0080 0 11323 BG 4 PET CE2 CAP -0.115000 12.0110 0 11324 BG 4 PET HE2 HP 0.115000 1.0080 0 11325 BG 4 PET CG CAP 0.100000 12.0110 0 11326 BG 4 PET C1 CL 0.630000 12.0110 0 11327 BG 4 PET O11 OBL -0.520000 15.9990 0 11328 BG 4 PET O12 OSL -0.340000 15.9990 0 11329 BG 4 PET C3 CTL2 -0.050000 12.0110 0 11330 BG 4 PET H31 HAL2 0.090000 1.0080 0 11331 BG 4 PET H32 HAL2 0.090000 1.0080 0 11332 BG 4 PET CZ CAP 0.100000 12.0110 0 11333 BG 4 PET C2 CL 0.630000 12.0110 0 11334 BG 4 PET O21 OBL -0.520000 15.9990 0 11335 BG 4 PET O22 OSL -0.340000 15.9990 0 11336 BG 4 PET C4 CTL2 -0.050000 12.0110 0 11337 BG 4 PET H41 HAL2 0.090000 1.0080 0 11338 BG 4 PET H42 HAL2 0.090000 1.0080 0 11339 BG 5 PET CD1 CAP -0.115000 12.0110 0 11340 BG 5 PET HD1 HP 0.115000 1.0080 0 11341 BG 5 PET CE1 CAP -0.115000 12.0110 0 11342 BG 5 PET HE1 HP 0.115000 1.0080 0 11343 BG 5 PET CD2 CAP -0.115000 12.0110 0 11344 BG 5 PET HD2 HP 0.115000 1.0080 0 11345 BG 5 PET CE2 CAP -0.115000 12.0110 0 11346 BG 5 PET HE2 HP 0.115000 1.0080 0 11347 BG 5 PET CG CAP 0.100000 12.0110 0 11348 BG 5 PET C1 CL 0.630000 12.0110 0 11349 BG 5 PET O11 OBL -0.520000 15.9990 0 11350 BG 5 PET O12 OSL -0.340000 15.9990 0 11351 BG 5 PET C3 CTL2 -0.050000 12.0110 0 11352 BG 5 PET H31 HAL2 0.090000 1.0080 0 11353 BG 5 PET H32 HAL2 0.090000 1.0080 0 11354 BG 5 PET CZ CAP 0.100000 12.0110 0 11355 BG 5 PET C2 CL 0.630000 12.0110 0 11356 BG 5 PET O21 OBL -0.520000 15.9990 0 11357 BG 5 PET O22 OSL -0.340000 15.9990 0 11358 BG 5 PET C4 CTL2 -0.050000 12.0110 0 11359 BG 5 PET H41 HAL2 0.090000 1.0080 0 11360 BG 5 PET H42 HAL2 0.090000 1.0080 0 11361 BG 6 PET CD1 CAP -0.115000 12.0110 0 11362 BG 6 PET HD1 HP 0.115000 1.0080 0 11363 BG 6 PET CE1 CAP -0.115000 12.0110 0 11364 BG 6 PET HE1 HP 0.115000 1.0080 0 11365 BG 6 PET CD2 CAP -0.115000 12.0110 0 11366 BG 6 PET HD2 HP 0.115000 1.0080 0 11367 BG 6 PET CE2 CAP -0.115000 12.0110 0 11368 BG 6 PET HE2 HP 0.115000 1.0080 0 11369 BG 6 PET CG CAP 0.100000 12.0110 0 11370 BG 6 PET C1 CL 0.630000 12.0110 0 11371 BG 6 PET O11 OBL -0.520000 15.9990 0 11372 BG 6 PET O12 OSL -0.340000 15.9990 0 11373 BG 6 PET C3 CTL2 -0.050000 12.0110 0 11374 BG 6 PET H31 HAL2 0.090000 1.0080 0 11375 BG 6 PET H32 HAL2 0.090000 1.0080 0 11376 BG 6 PET CZ CAP 0.100000 12.0110 0 11377 BG 6 PET C2 CL 0.630000 12.0110 0 11378 BG 6 PET O21 OBL -0.520000 15.9990 0 11379 BG 6 PET O22 OSL -0.340000 15.9990 0 11380 BG 6 PET C4 CTL2 -0.050000 12.0110 0 11381 BG 6 PET H41 HAL2 0.090000 1.0080 0 11382 BG 6 PET H42 HAL2 0.090000 1.0080 0 11383 BG 7 PET CD1 CAP -0.115000 12.0110 0 11384 BG 7 PET HD1 HP 0.115000 1.0080 0 11385 BG 7 PET CE1 CAP -0.115000 12.0110 0 11386 BG 7 PET HE1 HP 0.115000 1.0080 0 11387 BG 7 PET CD2 CAP -0.115000 12.0110 0 11388 BG 7 PET HD2 HP 0.115000 1.0080 0 11389 BG 7 PET CE2 CAP -0.115000 12.0110 0 11390 BG 7 PET HE2 HP 0.115000 1.0080 0 11391 BG 7 PET CG CAP 0.100000 12.0110 0 11392 BG 7 PET C1 CL 0.630000 12.0110 0 11393 BG 7 PET O11 OBL -0.520000 15.9990 0 11394 BG 7 PET O12 OSL -0.340000 15.9990 0 11395 BG 7 PET C3 CTL2 -0.050000 12.0110 0 11396 BG 7 PET H31 HAL2 0.090000 1.0080 0 11397 BG 7 PET H32 HAL2 0.090000 1.0080 0 11398 BG 7 PET CZ CAP 0.100000 12.0110 0 11399 BG 7 PET C2 CL 0.630000 12.0110 0 11400 BG 7 PET O21 OBL -0.520000 15.9990 0 11401 BG 7 PET O22 OSL -0.340000 15.9990 0 11402 BG 7 PET C4 CTL2 -0.050000 12.0110 0 11403 BG 7 PET H41 HAL2 0.090000 1.0080 0 11404 BG 7 PET H42 HAL2 0.090000 1.0080 0 11405 BG 8 PET CD1 CAP -0.115000 12.0110 0 11406 BG 8 PET HD1 HP 0.115000 1.0080 0 11407 BG 8 PET CE1 CAP -0.115000 12.0110 0 11408 BG 8 PET HE1 HP 0.115000 1.0080 0 11409 BG 8 PET CD2 CAP -0.115000 12.0110 0 11410 BG 8 PET HD2 HP 0.115000 1.0080 0 11411 BG 8 PET CE2 CAP -0.115000 12.0110 0 11412 BG 8 PET HE2 HP 0.115000 1.0080 0 11413 BG 8 PET CG CAP 0.100000 12.0110 0 11414 BG 8 PET C1 CL 0.630000 12.0110 0 11415 BG 8 PET O11 OBL -0.520000 15.9990 0 11416 BG 8 PET O12 OSL -0.340000 15.9990 0 11417 BG 8 PET C3 CTL2 -0.050000 12.0110 0 11418 BG 8 PET H31 HAL2 0.090000 1.0080 0 11419 BG 8 PET H32 HAL2 0.090000 1.0080 0 11420 BG 8 PET CZ CAP 0.100000 12.0110 0 11421 BG 8 PET C2 CL 0.630000 12.0110 0 11422 BG 8 PET O21 OBL -0.520000 15.9990 0 11423 BG 8 PET O22 OSL -0.340000 15.9990 0 11424 BG 8 PET C4 CTL2 -0.050000 12.0110 0 11425 BG 8 PET H41 HAL2 0.090000 1.0080 0 11426 BG 8 PET H42 HAL2 0.090000 1.0080 0 11427 BG 9 PET C1 CD 0.750000 12.0110 0 11428 BG 9 PET O11 OB -0.550000 15.9990 0 11429 BG 9 PET O12 OH1 -0.610000 15.9990 0 11430 BG 9 PET CG CAP -0.030000 12.0110 0 11431 BG 9 PET H12 H 0.440000 1.0080 0 11432 BG 9 PET CD1 CAP -0.115000 12.0110 0 11433 BG 9 PET HD1 HP 0.115000 1.0080 0 11434 BG 9 PET CE1 CAP -0.115000 12.0110 0 11435 BG 9 PET HE1 HP 0.115000 1.0080 0 11436 BG 9 PET CD2 CAP -0.115000 12.0110 0 11437 BG 9 PET HD2 HP 0.115000 1.0080 0 11438 BG 9 PET CE2 CAP -0.115000 12.0110 0 11439 BG 9 PET HE2 HP 0.115000 1.0080 0 11440 BG 9 PET CZ CAP 0.100000 12.0110 0 11441 BG 9 PET C2 CL 0.630000 12.0110 0 11442 BG 9 PET O21 OBL -0.520000 15.9990 0 11443 BG 9 PET O22 OSL -0.340000 15.9990 0 11444 BG 9 PET C4 CTL2 -0.050000 12.0110 0 11445 BG 9 PET H41 HAL2 0.090000 1.0080 0 11446 BG 9 PET H42 HAL2 0.090000 1.0080 0 11447 BH 1 PET C2 CD 0.750000 12.0110 0 11448 BH 1 PET O21 OB -0.550000 15.9990 0 11449 BH 1 PET O22 OH1 -0.610000 15.9990 0 11450 BH 1 PET CZ CAP -0.030000 12.0110 0 11451 BH 1 PET H22 H 0.440000 1.0080 0 11452 BH 1 PET CD1 CAP -0.115000 12.0110 0 11453 BH 1 PET HD1 HP 0.115000 1.0080 0 11454 BH 1 PET CE1 CAP -0.115000 12.0110 0 11455 BH 1 PET HE1 HP 0.115000 1.0080 0 11456 BH 1 PET CD2 CAP -0.115000 12.0110 0 11457 BH 1 PET HD2 HP 0.115000 1.0080 0 11458 BH 1 PET CE2 CAP -0.115000 12.0110 0 11459 BH 1 PET HE2 HP 0.115000 1.0080 0 11460 BH 1 PET CG CAP 0.100000 12.0110 0 11461 BH 1 PET C1 CL 0.630000 12.0110 0 11462 BH 1 PET O11 OBL -0.520000 15.9990 0 11463 BH 1 PET O12 OSL -0.340000 15.9990 0 11464 BH 1 PET C3 CTL2 -0.050000 12.0110 0 11465 BH 1 PET H31 HAL2 0.090000 1.0080 0 11466 BH 1 PET H32 HAL2 0.090000 1.0080 0 11467 BH 2 PET CD1 CAP -0.115000 12.0110 0 11468 BH 2 PET HD1 HP 0.115000 1.0080 0 11469 BH 2 PET CE1 CAP -0.115000 12.0110 0 11470 BH 2 PET HE1 HP 0.115000 1.0080 0 11471 BH 2 PET CD2 CAP -0.115000 12.0110 0 11472 BH 2 PET HD2 HP 0.115000 1.0080 0 11473 BH 2 PET CE2 CAP -0.115000 12.0110 0 11474 BH 2 PET HE2 HP 0.115000 1.0080 0 11475 BH 2 PET CG CAP 0.100000 12.0110 0 11476 BH 2 PET C1 CL 0.630000 12.0110 0 11477 BH 2 PET O11 OBL -0.520000 15.9990 0 11478 BH 2 PET O12 OSL -0.340000 15.9990 0 11479 BH 2 PET C3 CTL2 -0.050000 12.0110 0 11480 BH 2 PET H31 HAL2 0.090000 1.0080 0 11481 BH 2 PET H32 HAL2 0.090000 1.0080 0 11482 BH 2 PET CZ CAP 0.100000 12.0110 0 11483 BH 2 PET C2 CL 0.630000 12.0110 0 11484 BH 2 PET O21 OBL -0.520000 15.9990 0 11485 BH 2 PET O22 OSL -0.340000 15.9990 0 11486 BH 2 PET C4 CTL2 -0.050000 12.0110 0 11487 BH 2 PET H41 HAL2 0.090000 1.0080 0 11488 BH 2 PET H42 HAL2 0.090000 1.0080 0 11489 BH 3 PET CD1 CAP -0.115000 12.0110 0 11490 BH 3 PET HD1 HP 0.115000 1.0080 0 11491 BH 3 PET CE1 CAP -0.115000 12.0110 0 11492 BH 3 PET HE1 HP 0.115000 1.0080 0 11493 BH 3 PET CD2 CAP -0.115000 12.0110 0 11494 BH 3 PET HD2 HP 0.115000 1.0080 0 11495 BH 3 PET CE2 CAP -0.115000 12.0110 0 11496 BH 3 PET HE2 HP 0.115000 1.0080 0 11497 BH 3 PET CG CAP 0.100000 12.0110 0 11498 BH 3 PET C1 CL 0.630000 12.0110 0 11499 BH 3 PET O11 OBL -0.520000 15.9990 0 11500 BH 3 PET O12 OSL -0.340000 15.9990 0 11501 BH 3 PET C3 CTL2 -0.050000 12.0110 0 11502 BH 3 PET H31 HAL2 0.090000 1.0080 0 11503 BH 3 PET H32 HAL2 0.090000 1.0080 0 11504 BH 3 PET CZ CAP 0.100000 12.0110 0 11505 BH 3 PET C2 CL 0.630000 12.0110 0 11506 BH 3 PET O21 OBL -0.520000 15.9990 0 11507 BH 3 PET O22 OSL -0.340000 15.9990 0 11508 BH 3 PET C4 CTL2 -0.050000 12.0110 0 11509 BH 3 PET H41 HAL2 0.090000 1.0080 0 11510 BH 3 PET H42 HAL2 0.090000 1.0080 0 11511 BH 4 PET CD1 CAP -0.115000 12.0110 0 11512 BH 4 PET HD1 HP 0.115000 1.0080 0 11513 BH 4 PET CE1 CAP -0.115000 12.0110 0 11514 BH 4 PET HE1 HP 0.115000 1.0080 0 11515 BH 4 PET CD2 CAP -0.115000 12.0110 0 11516 BH 4 PET HD2 HP 0.115000 1.0080 0 11517 BH 4 PET CE2 CAP -0.115000 12.0110 0 11518 BH 4 PET HE2 HP 0.115000 1.0080 0 11519 BH 4 PET CG CAP 0.100000 12.0110 0 11520 BH 4 PET C1 CL 0.630000 12.0110 0 11521 BH 4 PET O11 OBL -0.520000 15.9990 0 11522 BH 4 PET O12 OSL -0.340000 15.9990 0 11523 BH 4 PET C3 CTL2 -0.050000 12.0110 0 11524 BH 4 PET H31 HAL2 0.090000 1.0080 0 11525 BH 4 PET H32 HAL2 0.090000 1.0080 0 11526 BH 4 PET CZ CAP 0.100000 12.0110 0 11527 BH 4 PET C2 CL 0.630000 12.0110 0 11528 BH 4 PET O21 OBL -0.520000 15.9990 0 11529 BH 4 PET O22 OSL -0.340000 15.9990 0 11530 BH 4 PET C4 CTL2 -0.050000 12.0110 0 11531 BH 4 PET H41 HAL2 0.090000 1.0080 0 11532 BH 4 PET H42 HAL2 0.090000 1.0080 0 11533 BH 5 PET CD1 CAP -0.115000 12.0110 0 11534 BH 5 PET HD1 HP 0.115000 1.0080 0 11535 BH 5 PET CE1 CAP -0.115000 12.0110 0 11536 BH 5 PET HE1 HP 0.115000 1.0080 0 11537 BH 5 PET CD2 CAP -0.115000 12.0110 0 11538 BH 5 PET HD2 HP 0.115000 1.0080 0 11539 BH 5 PET CE2 CAP -0.115000 12.0110 0 11540 BH 5 PET HE2 HP 0.115000 1.0080 0 11541 BH 5 PET CG CAP 0.100000 12.0110 0 11542 BH 5 PET C1 CL 0.630000 12.0110 0 11543 BH 5 PET O11 OBL -0.520000 15.9990 0 11544 BH 5 PET O12 OSL -0.340000 15.9990 0 11545 BH 5 PET C3 CTL2 -0.050000 12.0110 0 11546 BH 5 PET H31 HAL2 0.090000 1.0080 0 11547 BH 5 PET H32 HAL2 0.090000 1.0080 0 11548 BH 5 PET CZ CAP 0.100000 12.0110 0 11549 BH 5 PET C2 CL 0.630000 12.0110 0 11550 BH 5 PET O21 OBL -0.520000 15.9990 0 11551 BH 5 PET O22 OSL -0.340000 15.9990 0 11552 BH 5 PET C4 CTL2 -0.050000 12.0110 0 11553 BH 5 PET H41 HAL2 0.090000 1.0080 0 11554 BH 5 PET H42 HAL2 0.090000 1.0080 0 11555 BH 6 PET CD1 CAP -0.115000 12.0110 0 11556 BH 6 PET HD1 HP 0.115000 1.0080 0 11557 BH 6 PET CE1 CAP -0.115000 12.0110 0 11558 BH 6 PET HE1 HP 0.115000 1.0080 0 11559 BH 6 PET CD2 CAP -0.115000 12.0110 0 11560 BH 6 PET HD2 HP 0.115000 1.0080 0 11561 BH 6 PET CE2 CAP -0.115000 12.0110 0 11562 BH 6 PET HE2 HP 0.115000 1.0080 0 11563 BH 6 PET CG CAP 0.100000 12.0110 0 11564 BH 6 PET C1 CL 0.630000 12.0110 0 11565 BH 6 PET O11 OBL -0.520000 15.9990 0 11566 BH 6 PET O12 OSL -0.340000 15.9990 0 11567 BH 6 PET C3 CTL2 -0.050000 12.0110 0 11568 BH 6 PET H31 HAL2 0.090000 1.0080 0 11569 BH 6 PET H32 HAL2 0.090000 1.0080 0 11570 BH 6 PET CZ CAP 0.100000 12.0110 0 11571 BH 6 PET C2 CL 0.630000 12.0110 0 11572 BH 6 PET O21 OBL -0.520000 15.9990 0 11573 BH 6 PET O22 OSL -0.340000 15.9990 0 11574 BH 6 PET C4 CTL2 -0.050000 12.0110 0 11575 BH 6 PET H41 HAL2 0.090000 1.0080 0 11576 BH 6 PET H42 HAL2 0.090000 1.0080 0 11577 BH 7 PET CD1 CAP -0.115000 12.0110 0 11578 BH 7 PET HD1 HP 0.115000 1.0080 0 11579 BH 7 PET CE1 CAP -0.115000 12.0110 0 11580 BH 7 PET HE1 HP 0.115000 1.0080 0 11581 BH 7 PET CD2 CAP -0.115000 12.0110 0 11582 BH 7 PET HD2 HP 0.115000 1.0080 0 11583 BH 7 PET CE2 CAP -0.115000 12.0110 0 11584 BH 7 PET HE2 HP 0.115000 1.0080 0 11585 BH 7 PET CG CAP 0.100000 12.0110 0 11586 BH 7 PET C1 CL 0.630000 12.0110 0 11587 BH 7 PET O11 OBL -0.520000 15.9990 0 11588 BH 7 PET O12 OSL -0.340000 15.9990 0 11589 BH 7 PET C3 CTL2 -0.050000 12.0110 0 11590 BH 7 PET H31 HAL2 0.090000 1.0080 0 11591 BH 7 PET H32 HAL2 0.090000 1.0080 0 11592 BH 7 PET CZ CAP 0.100000 12.0110 0 11593 BH 7 PET C2 CL 0.630000 12.0110 0 11594 BH 7 PET O21 OBL -0.520000 15.9990 0 11595 BH 7 PET O22 OSL -0.340000 15.9990 0 11596 BH 7 PET C4 CTL2 -0.050000 12.0110 0 11597 BH 7 PET H41 HAL2 0.090000 1.0080 0 11598 BH 7 PET H42 HAL2 0.090000 1.0080 0 11599 BH 8 PET CD1 CAP -0.115000 12.0110 0 11600 BH 8 PET HD1 HP 0.115000 1.0080 0 11601 BH 8 PET CE1 CAP -0.115000 12.0110 0 11602 BH 8 PET HE1 HP 0.115000 1.0080 0 11603 BH 8 PET CD2 CAP -0.115000 12.0110 0 11604 BH 8 PET HD2 HP 0.115000 1.0080 0 11605 BH 8 PET CE2 CAP -0.115000 12.0110 0 11606 BH 8 PET HE2 HP 0.115000 1.0080 0 11607 BH 8 PET CG CAP 0.100000 12.0110 0 11608 BH 8 PET C1 CL 0.630000 12.0110 0 11609 BH 8 PET O11 OBL -0.520000 15.9990 0 11610 BH 8 PET O12 OSL -0.340000 15.9990 0 11611 BH 8 PET C3 CTL2 -0.050000 12.0110 0 11612 BH 8 PET H31 HAL2 0.090000 1.0080 0 11613 BH 8 PET H32 HAL2 0.090000 1.0080 0 11614 BH 8 PET CZ CAP 0.100000 12.0110 0 11615 BH 8 PET C2 CL 0.630000 12.0110 0 11616 BH 8 PET O21 OBL -0.520000 15.9990 0 11617 BH 8 PET O22 OSL -0.340000 15.9990 0 11618 BH 8 PET C4 CTL2 -0.050000 12.0110 0 11619 BH 8 PET H41 HAL2 0.090000 1.0080 0 11620 BH 8 PET H42 HAL2 0.090000 1.0080 0 11621 BH 9 PET C1 CD 0.750000 12.0110 0 11622 BH 9 PET O11 OB -0.550000 15.9990 0 11623 BH 9 PET O12 OH1 -0.610000 15.9990 0 11624 BH 9 PET CG CAP -0.030000 12.0110 0 11625 BH 9 PET H12 H 0.440000 1.0080 0 11626 BH 9 PET CD1 CAP -0.115000 12.0110 0 11627 BH 9 PET HD1 HP 0.115000 1.0080 0 11628 BH 9 PET CE1 CAP -0.115000 12.0110 0 11629 BH 9 PET HE1 HP 0.115000 1.0080 0 11630 BH 9 PET CD2 CAP -0.115000 12.0110 0 11631 BH 9 PET HD2 HP 0.115000 1.0080 0 11632 BH 9 PET CE2 CAP -0.115000 12.0110 0 11633 BH 9 PET HE2 HP 0.115000 1.0080 0 11634 BH 9 PET CZ CAP 0.100000 12.0110 0 11635 BH 9 PET C2 CL 0.630000 12.0110 0 11636 BH 9 PET O21 OBL -0.520000 15.9990 0 11637 BH 9 PET O22 OSL -0.340000 15.9990 0 11638 BH 9 PET C4 CTL2 -0.050000 12.0110 0 11639 BH 9 PET H41 HAL2 0.090000 1.0080 0 11640 BH 9 PET H42 HAL2 0.090000 1.0080 0 11641 BI 1 PET C2 CD 0.750000 12.0110 0 11642 BI 1 PET O21 OB -0.550000 15.9990 0 11643 BI 1 PET O22 OH1 -0.610000 15.9990 0 11644 BI 1 PET CZ CAP -0.030000 12.0110 0 11645 BI 1 PET H22 H 0.440000 1.0080 0 11646 BI 1 PET CD1 CAP -0.115000 12.0110 0 11647 BI 1 PET HD1 HP 0.115000 1.0080 0 11648 BI 1 PET CE1 CAP -0.115000 12.0110 0 11649 BI 1 PET HE1 HP 0.115000 1.0080 0 11650 BI 1 PET CD2 CAP -0.115000 12.0110 0 11651 BI 1 PET HD2 HP 0.115000 1.0080 0 11652 BI 1 PET CE2 CAP -0.115000 12.0110 0 11653 BI 1 PET HE2 HP 0.115000 1.0080 0 11654 BI 1 PET CG CAP 0.100000 12.0110 0 11655 BI 1 PET C1 CL 0.630000 12.0110 0 11656 BI 1 PET O11 OBL -0.520000 15.9990 0 11657 BI 1 PET O12 OSL -0.340000 15.9990 0 11658 BI 1 PET C3 CTL2 -0.050000 12.0110 0 11659 BI 1 PET H31 HAL2 0.090000 1.0080 0 11660 BI 1 PET H32 HAL2 0.090000 1.0080 0 11661 BI 2 PET CD1 CAP -0.115000 12.0110 0 11662 BI 2 PET HD1 HP 0.115000 1.0080 0 11663 BI 2 PET CE1 CAP -0.115000 12.0110 0 11664 BI 2 PET HE1 HP 0.115000 1.0080 0 11665 BI 2 PET CD2 CAP -0.115000 12.0110 0 11666 BI 2 PET HD2 HP 0.115000 1.0080 0 11667 BI 2 PET CE2 CAP -0.115000 12.0110 0 11668 BI 2 PET HE2 HP 0.115000 1.0080 0 11669 BI 2 PET CG CAP 0.100000 12.0110 0 11670 BI 2 PET C1 CL 0.630000 12.0110 0 11671 BI 2 PET O11 OBL -0.520000 15.9990 0 11672 BI 2 PET O12 OSL -0.340000 15.9990 0 11673 BI 2 PET C3 CTL2 -0.050000 12.0110 0 11674 BI 2 PET H31 HAL2 0.090000 1.0080 0 11675 BI 2 PET H32 HAL2 0.090000 1.0080 0 11676 BI 2 PET CZ CAP 0.100000 12.0110 0 11677 BI 2 PET C2 CL 0.630000 12.0110 0 11678 BI 2 PET O21 OBL -0.520000 15.9990 0 11679 BI 2 PET O22 OSL -0.340000 15.9990 0 11680 BI 2 PET C4 CTL2 -0.050000 12.0110 0 11681 BI 2 PET H41 HAL2 0.090000 1.0080 0 11682 BI 2 PET H42 HAL2 0.090000 1.0080 0 11683 BI 3 PET CD1 CAP -0.115000 12.0110 0 11684 BI 3 PET HD1 HP 0.115000 1.0080 0 11685 BI 3 PET CE1 CAP -0.115000 12.0110 0 11686 BI 3 PET HE1 HP 0.115000 1.0080 0 11687 BI 3 PET CD2 CAP -0.115000 12.0110 0 11688 BI 3 PET HD2 HP 0.115000 1.0080 0 11689 BI 3 PET CE2 CAP -0.115000 12.0110 0 11690 BI 3 PET HE2 HP 0.115000 1.0080 0 11691 BI 3 PET CG CAP 0.100000 12.0110 0 11692 BI 3 PET C1 CL 0.630000 12.0110 0 11693 BI 3 PET O11 OBL -0.520000 15.9990 0 11694 BI 3 PET O12 OSL -0.340000 15.9990 0 11695 BI 3 PET C3 CTL2 -0.050000 12.0110 0 11696 BI 3 PET H31 HAL2 0.090000 1.0080 0 11697 BI 3 PET H32 HAL2 0.090000 1.0080 0 11698 BI 3 PET CZ CAP 0.100000 12.0110 0 11699 BI 3 PET C2 CL 0.630000 12.0110 0 11700 BI 3 PET O21 OBL -0.520000 15.9990 0 11701 BI 3 PET O22 OSL -0.340000 15.9990 0 11702 BI 3 PET C4 CTL2 -0.050000 12.0110 0 11703 BI 3 PET H41 HAL2 0.090000 1.0080 0 11704 BI 3 PET H42 HAL2 0.090000 1.0080 0 11705 BI 4 PET CD1 CAP -0.115000 12.0110 0 11706 BI 4 PET HD1 HP 0.115000 1.0080 0 11707 BI 4 PET CE1 CAP -0.115000 12.0110 0 11708 BI 4 PET HE1 HP 0.115000 1.0080 0 11709 BI 4 PET CD2 CAP -0.115000 12.0110 0 11710 BI 4 PET HD2 HP 0.115000 1.0080 0 11711 BI 4 PET CE2 CAP -0.115000 12.0110 0 11712 BI 4 PET HE2 HP 0.115000 1.0080 0 11713 BI 4 PET CG CAP 0.100000 12.0110 0 11714 BI 4 PET C1 CL 0.630000 12.0110 0 11715 BI 4 PET O11 OBL -0.520000 15.9990 0 11716 BI 4 PET O12 OSL -0.340000 15.9990 0 11717 BI 4 PET C3 CTL2 -0.050000 12.0110 0 11718 BI 4 PET H31 HAL2 0.090000 1.0080 0 11719 BI 4 PET H32 HAL2 0.090000 1.0080 0 11720 BI 4 PET CZ CAP 0.100000 12.0110 0 11721 BI 4 PET C2 CL 0.630000 12.0110 0 11722 BI 4 PET O21 OBL -0.520000 15.9990 0 11723 BI 4 PET O22 OSL -0.340000 15.9990 0 11724 BI 4 PET C4 CTL2 -0.050000 12.0110 0 11725 BI 4 PET H41 HAL2 0.090000 1.0080 0 11726 BI 4 PET H42 HAL2 0.090000 1.0080 0 11727 BI 5 PET CD1 CAP -0.115000 12.0110 0 11728 BI 5 PET HD1 HP 0.115000 1.0080 0 11729 BI 5 PET CE1 CAP -0.115000 12.0110 0 11730 BI 5 PET HE1 HP 0.115000 1.0080 0 11731 BI 5 PET CD2 CAP -0.115000 12.0110 0 11732 BI 5 PET HD2 HP 0.115000 1.0080 0 11733 BI 5 PET CE2 CAP -0.115000 12.0110 0 11734 BI 5 PET HE2 HP 0.115000 1.0080 0 11735 BI 5 PET CG CAP 0.100000 12.0110 0 11736 BI 5 PET C1 CL 0.630000 12.0110 0 11737 BI 5 PET O11 OBL -0.520000 15.9990 0 11738 BI 5 PET O12 OSL -0.340000 15.9990 0 11739 BI 5 PET C3 CTL2 -0.050000 12.0110 0 11740 BI 5 PET H31 HAL2 0.090000 1.0080 0 11741 BI 5 PET H32 HAL2 0.090000 1.0080 0 11742 BI 5 PET CZ CAP 0.100000 12.0110 0 11743 BI 5 PET C2 CL 0.630000 12.0110 0 11744 BI 5 PET O21 OBL -0.520000 15.9990 0 11745 BI 5 PET O22 OSL -0.340000 15.9990 0 11746 BI 5 PET C4 CTL2 -0.050000 12.0110 0 11747 BI 5 PET H41 HAL2 0.090000 1.0080 0 11748 BI 5 PET H42 HAL2 0.090000 1.0080 0 11749 BI 6 PET CD1 CAP -0.115000 12.0110 0 11750 BI 6 PET HD1 HP 0.115000 1.0080 0 11751 BI 6 PET CE1 CAP -0.115000 12.0110 0 11752 BI 6 PET HE1 HP 0.115000 1.0080 0 11753 BI 6 PET CD2 CAP -0.115000 12.0110 0 11754 BI 6 PET HD2 HP 0.115000 1.0080 0 11755 BI 6 PET CE2 CAP -0.115000 12.0110 0 11756 BI 6 PET HE2 HP 0.115000 1.0080 0 11757 BI 6 PET CG CAP 0.100000 12.0110 0 11758 BI 6 PET C1 CL 0.630000 12.0110 0 11759 BI 6 PET O11 OBL -0.520000 15.9990 0 11760 BI 6 PET O12 OSL -0.340000 15.9990 0 11761 BI 6 PET C3 CTL2 -0.050000 12.0110 0 11762 BI 6 PET H31 HAL2 0.090000 1.0080 0 11763 BI 6 PET H32 HAL2 0.090000 1.0080 0 11764 BI 6 PET CZ CAP 0.100000 12.0110 0 11765 BI 6 PET C2 CL 0.630000 12.0110 0 11766 BI 6 PET O21 OBL -0.520000 15.9990 0 11767 BI 6 PET O22 OSL -0.340000 15.9990 0 11768 BI 6 PET C4 CTL2 -0.050000 12.0110 0 11769 BI 6 PET H41 HAL2 0.090000 1.0080 0 11770 BI 6 PET H42 HAL2 0.090000 1.0080 0 11771 BI 7 PET CD1 CAP -0.115000 12.0110 0 11772 BI 7 PET HD1 HP 0.115000 1.0080 0 11773 BI 7 PET CE1 CAP -0.115000 12.0110 0 11774 BI 7 PET HE1 HP 0.115000 1.0080 0 11775 BI 7 PET CD2 CAP -0.115000 12.0110 0 11776 BI 7 PET HD2 HP 0.115000 1.0080 0 11777 BI 7 PET CE2 CAP -0.115000 12.0110 0 11778 BI 7 PET HE2 HP 0.115000 1.0080 0 11779 BI 7 PET CG CAP 0.100000 12.0110 0 11780 BI 7 PET C1 CL 0.630000 12.0110 0 11781 BI 7 PET O11 OBL -0.520000 15.9990 0 11782 BI 7 PET O12 OSL -0.340000 15.9990 0 11783 BI 7 PET C3 CTL2 -0.050000 12.0110 0 11784 BI 7 PET H31 HAL2 0.090000 1.0080 0 11785 BI 7 PET H32 HAL2 0.090000 1.0080 0 11786 BI 7 PET CZ CAP 0.100000 12.0110 0 11787 BI 7 PET C2 CL 0.630000 12.0110 0 11788 BI 7 PET O21 OBL -0.520000 15.9990 0 11789 BI 7 PET O22 OSL -0.340000 15.9990 0 11790 BI 7 PET C4 CTL2 -0.050000 12.0110 0 11791 BI 7 PET H41 HAL2 0.090000 1.0080 0 11792 BI 7 PET H42 HAL2 0.090000 1.0080 0 11793 BI 8 PET CD1 CAP -0.115000 12.0110 0 11794 BI 8 PET HD1 HP 0.115000 1.0080 0 11795 BI 8 PET CE1 CAP -0.115000 12.0110 0 11796 BI 8 PET HE1 HP 0.115000 1.0080 0 11797 BI 8 PET CD2 CAP -0.115000 12.0110 0 11798 BI 8 PET HD2 HP 0.115000 1.0080 0 11799 BI 8 PET CE2 CAP -0.115000 12.0110 0 11800 BI 8 PET HE2 HP 0.115000 1.0080 0 11801 BI 8 PET CG CAP 0.100000 12.0110 0 11802 BI 8 PET C1 CL 0.630000 12.0110 0 11803 BI 8 PET O11 OBL -0.520000 15.9990 0 11804 BI 8 PET O12 OSL -0.340000 15.9990 0 11805 BI 8 PET C3 CTL2 -0.050000 12.0110 0 11806 BI 8 PET H31 HAL2 0.090000 1.0080 0 11807 BI 8 PET H32 HAL2 0.090000 1.0080 0 11808 BI 8 PET CZ CAP 0.100000 12.0110 0 11809 BI 8 PET C2 CL 0.630000 12.0110 0 11810 BI 8 PET O21 OBL -0.520000 15.9990 0 11811 BI 8 PET O22 OSL -0.340000 15.9990 0 11812 BI 8 PET C4 CTL2 -0.050000 12.0110 0 11813 BI 8 PET H41 HAL2 0.090000 1.0080 0 11814 BI 8 PET H42 HAL2 0.090000 1.0080 0 11815 BI 9 PET C1 CD 0.750000 12.0110 0 11816 BI 9 PET O11 OB -0.550000 15.9990 0 11817 BI 9 PET O12 OH1 -0.610000 15.9990 0 11818 BI 9 PET CG CAP -0.030000 12.0110 0 11819 BI 9 PET H12 H 0.440000 1.0080 0 11820 BI 9 PET CD1 CAP -0.115000 12.0110 0 11821 BI 9 PET HD1 HP 0.115000 1.0080 0 11822 BI 9 PET CE1 CAP -0.115000 12.0110 0 11823 BI 9 PET HE1 HP 0.115000 1.0080 0 11824 BI 9 PET CD2 CAP -0.115000 12.0110 0 11825 BI 9 PET HD2 HP 0.115000 1.0080 0 11826 BI 9 PET CE2 CAP -0.115000 12.0110 0 11827 BI 9 PET HE2 HP 0.115000 1.0080 0 11828 BI 9 PET CZ CAP 0.100000 12.0110 0 11829 BI 9 PET C2 CL 0.630000 12.0110 0 11830 BI 9 PET O21 OBL -0.520000 15.9990 0 11831 BI 9 PET O22 OSL -0.340000 15.9990 0 11832 BI 9 PET C4 CTL2 -0.050000 12.0110 0 11833 BI 9 PET H41 HAL2 0.090000 1.0080 0 11834 BI 9 PET H42 HAL2 0.090000 1.0080 0 11835 BJ 1 PET C2 CD 0.750000 12.0110 0 11836 BJ 1 PET O21 OB -0.550000 15.9990 0 11837 BJ 1 PET O22 OH1 -0.610000 15.9990 0 11838 BJ 1 PET CZ CAP -0.030000 12.0110 0 11839 BJ 1 PET H22 H 0.440000 1.0080 0 11840 BJ 1 PET CD1 CAP -0.115000 12.0110 0 11841 BJ 1 PET HD1 HP 0.115000 1.0080 0 11842 BJ 1 PET CE1 CAP -0.115000 12.0110 0 11843 BJ 1 PET HE1 HP 0.115000 1.0080 0 11844 BJ 1 PET CD2 CAP -0.115000 12.0110 0 11845 BJ 1 PET HD2 HP 0.115000 1.0080 0 11846 BJ 1 PET CE2 CAP -0.115000 12.0110 0 11847 BJ 1 PET HE2 HP 0.115000 1.0080 0 11848 BJ 1 PET CG CAP 0.100000 12.0110 0 11849 BJ 1 PET C1 CL 0.630000 12.0110 0 11850 BJ 1 PET O11 OBL -0.520000 15.9990 0 11851 BJ 1 PET O12 OSL -0.340000 15.9990 0 11852 BJ 1 PET C3 CTL2 -0.050000 12.0110 0 11853 BJ 1 PET H31 HAL2 0.090000 1.0080 0 11854 BJ 1 PET H32 HAL2 0.090000 1.0080 0 11855 BJ 2 PET CD1 CAP -0.115000 12.0110 0 11856 BJ 2 PET HD1 HP 0.115000 1.0080 0 11857 BJ 2 PET CE1 CAP -0.115000 12.0110 0 11858 BJ 2 PET HE1 HP 0.115000 1.0080 0 11859 BJ 2 PET CD2 CAP -0.115000 12.0110 0 11860 BJ 2 PET HD2 HP 0.115000 1.0080 0 11861 BJ 2 PET CE2 CAP -0.115000 12.0110 0 11862 BJ 2 PET HE2 HP 0.115000 1.0080 0 11863 BJ 2 PET CG CAP 0.100000 12.0110 0 11864 BJ 2 PET C1 CL 0.630000 12.0110 0 11865 BJ 2 PET O11 OBL -0.520000 15.9990 0 11866 BJ 2 PET O12 OSL -0.340000 15.9990 0 11867 BJ 2 PET C3 CTL2 -0.050000 12.0110 0 11868 BJ 2 PET H31 HAL2 0.090000 1.0080 0 11869 BJ 2 PET H32 HAL2 0.090000 1.0080 0 11870 BJ 2 PET CZ CAP 0.100000 12.0110 0 11871 BJ 2 PET C2 CL 0.630000 12.0110 0 11872 BJ 2 PET O21 OBL -0.520000 15.9990 0 11873 BJ 2 PET O22 OSL -0.340000 15.9990 0 11874 BJ 2 PET C4 CTL2 -0.050000 12.0110 0 11875 BJ 2 PET H41 HAL2 0.090000 1.0080 0 11876 BJ 2 PET H42 HAL2 0.090000 1.0080 0 11877 BJ 3 PET CD1 CAP -0.115000 12.0110 0 11878 BJ 3 PET HD1 HP 0.115000 1.0080 0 11879 BJ 3 PET CE1 CAP -0.115000 12.0110 0 11880 BJ 3 PET HE1 HP 0.115000 1.0080 0 11881 BJ 3 PET CD2 CAP -0.115000 12.0110 0 11882 BJ 3 PET HD2 HP 0.115000 1.0080 0 11883 BJ 3 PET CE2 CAP -0.115000 12.0110 0 11884 BJ 3 PET HE2 HP 0.115000 1.0080 0 11885 BJ 3 PET CG CAP 0.100000 12.0110 0 11886 BJ 3 PET C1 CL 0.630000 12.0110 0 11887 BJ 3 PET O11 OBL -0.520000 15.9990 0 11888 BJ 3 PET O12 OSL -0.340000 15.9990 0 11889 BJ 3 PET C3 CTL2 -0.050000 12.0110 0 11890 BJ 3 PET H31 HAL2 0.090000 1.0080 0 11891 BJ 3 PET H32 HAL2 0.090000 1.0080 0 11892 BJ 3 PET CZ CAP 0.100000 12.0110 0 11893 BJ 3 PET C2 CL 0.630000 12.0110 0 11894 BJ 3 PET O21 OBL -0.520000 15.9990 0 11895 BJ 3 PET O22 OSL -0.340000 15.9990 0 11896 BJ 3 PET C4 CTL2 -0.050000 12.0110 0 11897 BJ 3 PET H41 HAL2 0.090000 1.0080 0 11898 BJ 3 PET H42 HAL2 0.090000 1.0080 0 11899 BJ 4 PET CD1 CAP -0.115000 12.0110 0 11900 BJ 4 PET HD1 HP 0.115000 1.0080 0 11901 BJ 4 PET CE1 CAP -0.115000 12.0110 0 11902 BJ 4 PET HE1 HP 0.115000 1.0080 0 11903 BJ 4 PET CD2 CAP -0.115000 12.0110 0 11904 BJ 4 PET HD2 HP 0.115000 1.0080 0 11905 BJ 4 PET CE2 CAP -0.115000 12.0110 0 11906 BJ 4 PET HE2 HP 0.115000 1.0080 0 11907 BJ 4 PET CG CAP 0.100000 12.0110 0 11908 BJ 4 PET C1 CL 0.630000 12.0110 0 11909 BJ 4 PET O11 OBL -0.520000 15.9990 0 11910 BJ 4 PET O12 OSL -0.340000 15.9990 0 11911 BJ 4 PET C3 CTL2 -0.050000 12.0110 0 11912 BJ 4 PET H31 HAL2 0.090000 1.0080 0 11913 BJ 4 PET H32 HAL2 0.090000 1.0080 0 11914 BJ 4 PET CZ CAP 0.100000 12.0110 0 11915 BJ 4 PET C2 CL 0.630000 12.0110 0 11916 BJ 4 PET O21 OBL -0.520000 15.9990 0 11917 BJ 4 PET O22 OSL -0.340000 15.9990 0 11918 BJ 4 PET C4 CTL2 -0.050000 12.0110 0 11919 BJ 4 PET H41 HAL2 0.090000 1.0080 0 11920 BJ 4 PET H42 HAL2 0.090000 1.0080 0 11921 BJ 5 PET CD1 CAP -0.115000 12.0110 0 11922 BJ 5 PET HD1 HP 0.115000 1.0080 0 11923 BJ 5 PET CE1 CAP -0.115000 12.0110 0 11924 BJ 5 PET HE1 HP 0.115000 1.0080 0 11925 BJ 5 PET CD2 CAP -0.115000 12.0110 0 11926 BJ 5 PET HD2 HP 0.115000 1.0080 0 11927 BJ 5 PET CE2 CAP -0.115000 12.0110 0 11928 BJ 5 PET HE2 HP 0.115000 1.0080 0 11929 BJ 5 PET CG CAP 0.100000 12.0110 0 11930 BJ 5 PET C1 CL 0.630000 12.0110 0 11931 BJ 5 PET O11 OBL -0.520000 15.9990 0 11932 BJ 5 PET O12 OSL -0.340000 15.9990 0 11933 BJ 5 PET C3 CTL2 -0.050000 12.0110 0 11934 BJ 5 PET H31 HAL2 0.090000 1.0080 0 11935 BJ 5 PET H32 HAL2 0.090000 1.0080 0 11936 BJ 5 PET CZ CAP 0.100000 12.0110 0 11937 BJ 5 PET C2 CL 0.630000 12.0110 0 11938 BJ 5 PET O21 OBL -0.520000 15.9990 0 11939 BJ 5 PET O22 OSL -0.340000 15.9990 0 11940 BJ 5 PET C4 CTL2 -0.050000 12.0110 0 11941 BJ 5 PET H41 HAL2 0.090000 1.0080 0 11942 BJ 5 PET H42 HAL2 0.090000 1.0080 0 11943 BJ 6 PET CD1 CAP -0.115000 12.0110 0 11944 BJ 6 PET HD1 HP 0.115000 1.0080 0 11945 BJ 6 PET CE1 CAP -0.115000 12.0110 0 11946 BJ 6 PET HE1 HP 0.115000 1.0080 0 11947 BJ 6 PET CD2 CAP -0.115000 12.0110 0 11948 BJ 6 PET HD2 HP 0.115000 1.0080 0 11949 BJ 6 PET CE2 CAP -0.115000 12.0110 0 11950 BJ 6 PET HE2 HP 0.115000 1.0080 0 11951 BJ 6 PET CG CAP 0.100000 12.0110 0 11952 BJ 6 PET C1 CL 0.630000 12.0110 0 11953 BJ 6 PET O11 OBL -0.520000 15.9990 0 11954 BJ 6 PET O12 OSL -0.340000 15.9990 0 11955 BJ 6 PET C3 CTL2 -0.050000 12.0110 0 11956 BJ 6 PET H31 HAL2 0.090000 1.0080 0 11957 BJ 6 PET H32 HAL2 0.090000 1.0080 0 11958 BJ 6 PET CZ CAP 0.100000 12.0110 0 11959 BJ 6 PET C2 CL 0.630000 12.0110 0 11960 BJ 6 PET O21 OBL -0.520000 15.9990 0 11961 BJ 6 PET O22 OSL -0.340000 15.9990 0 11962 BJ 6 PET C4 CTL2 -0.050000 12.0110 0 11963 BJ 6 PET H41 HAL2 0.090000 1.0080 0 11964 BJ 6 PET H42 HAL2 0.090000 1.0080 0 11965 BJ 7 PET CD1 CAP -0.115000 12.0110 0 11966 BJ 7 PET HD1 HP 0.115000 1.0080 0 11967 BJ 7 PET CE1 CAP -0.115000 12.0110 0 11968 BJ 7 PET HE1 HP 0.115000 1.0080 0 11969 BJ 7 PET CD2 CAP -0.115000 12.0110 0 11970 BJ 7 PET HD2 HP 0.115000 1.0080 0 11971 BJ 7 PET CE2 CAP -0.115000 12.0110 0 11972 BJ 7 PET HE2 HP 0.115000 1.0080 0 11973 BJ 7 PET CG CAP 0.100000 12.0110 0 11974 BJ 7 PET C1 CL 0.630000 12.0110 0 11975 BJ 7 PET O11 OBL -0.520000 15.9990 0 11976 BJ 7 PET O12 OSL -0.340000 15.9990 0 11977 BJ 7 PET C3 CTL2 -0.050000 12.0110 0 11978 BJ 7 PET H31 HAL2 0.090000 1.0080 0 11979 BJ 7 PET H32 HAL2 0.090000 1.0080 0 11980 BJ 7 PET CZ CAP 0.100000 12.0110 0 11981 BJ 7 PET C2 CL 0.630000 12.0110 0 11982 BJ 7 PET O21 OBL -0.520000 15.9990 0 11983 BJ 7 PET O22 OSL -0.340000 15.9990 0 11984 BJ 7 PET C4 CTL2 -0.050000 12.0110 0 11985 BJ 7 PET H41 HAL2 0.090000 1.0080 0 11986 BJ 7 PET H42 HAL2 0.090000 1.0080 0 11987 BJ 8 PET CD1 CAP -0.115000 12.0110 0 11988 BJ 8 PET HD1 HP 0.115000 1.0080 0 11989 BJ 8 PET CE1 CAP -0.115000 12.0110 0 11990 BJ 8 PET HE1 HP 0.115000 1.0080 0 11991 BJ 8 PET CD2 CAP -0.115000 12.0110 0 11992 BJ 8 PET HD2 HP 0.115000 1.0080 0 11993 BJ 8 PET CE2 CAP -0.115000 12.0110 0 11994 BJ 8 PET HE2 HP 0.115000 1.0080 0 11995 BJ 8 PET CG CAP 0.100000 12.0110 0 11996 BJ 8 PET C1 CL 0.630000 12.0110 0 11997 BJ 8 PET O11 OBL -0.520000 15.9990 0 11998 BJ 8 PET O12 OSL -0.340000 15.9990 0 11999 BJ 8 PET C3 CTL2 -0.050000 12.0110 0 12000 BJ 8 PET H31 HAL2 0.090000 1.0080 0 12001 BJ 8 PET H32 HAL2 0.090000 1.0080 0 12002 BJ 8 PET CZ CAP 0.100000 12.0110 0 12003 BJ 8 PET C2 CL 0.630000 12.0110 0 12004 BJ 8 PET O21 OBL -0.520000 15.9990 0 12005 BJ 8 PET O22 OSL -0.340000 15.9990 0 12006 BJ 8 PET C4 CTL2 -0.050000 12.0110 0 12007 BJ 8 PET H41 HAL2 0.090000 1.0080 0 12008 BJ 8 PET H42 HAL2 0.090000 1.0080 0 12009 BJ 9 PET C1 CD 0.750000 12.0110 0 12010 BJ 9 PET O11 OB -0.550000 15.9990 0 12011 BJ 9 PET O12 OH1 -0.610000 15.9990 0 12012 BJ 9 PET CG CAP -0.030000 12.0110 0 12013 BJ 9 PET H12 H 0.440000 1.0080 0 12014 BJ 9 PET CD1 CAP -0.115000 12.0110 0 12015 BJ 9 PET HD1 HP 0.115000 1.0080 0 12016 BJ 9 PET CE1 CAP -0.115000 12.0110 0 12017 BJ 9 PET HE1 HP 0.115000 1.0080 0 12018 BJ 9 PET CD2 CAP -0.115000 12.0110 0 12019 BJ 9 PET HD2 HP 0.115000 1.0080 0 12020 BJ 9 PET CE2 CAP -0.115000 12.0110 0 12021 BJ 9 PET HE2 HP 0.115000 1.0080 0 12022 BJ 9 PET CZ CAP 0.100000 12.0110 0 12023 BJ 9 PET C2 CL 0.630000 12.0110 0 12024 BJ 9 PET O21 OBL -0.520000 15.9990 0 12025 BJ 9 PET O22 OSL -0.340000 15.9990 0 12026 BJ 9 PET C4 CTL2 -0.050000 12.0110 0 12027 BJ 9 PET H41 HAL2 0.090000 1.0080 0 12028 BJ 9 PET H42 HAL2 0.090000 1.0080 0 12029 BK 1 PET C2 CD 0.750000 12.0110 0 12030 BK 1 PET O21 OB -0.550000 15.9990 0 12031 BK 1 PET O22 OH1 -0.610000 15.9990 0 12032 BK 1 PET CZ CAP -0.030000 12.0110 0 12033 BK 1 PET H22 H 0.440000 1.0080 0 12034 BK 1 PET CD1 CAP -0.115000 12.0110 0 12035 BK 1 PET HD1 HP 0.115000 1.0080 0 12036 BK 1 PET CE1 CAP -0.115000 12.0110 0 12037 BK 1 PET HE1 HP 0.115000 1.0080 0 12038 BK 1 PET CD2 CAP -0.115000 12.0110 0 12039 BK 1 PET HD2 HP 0.115000 1.0080 0 12040 BK 1 PET CE2 CAP -0.115000 12.0110 0 12041 BK 1 PET HE2 HP 0.115000 1.0080 0 12042 BK 1 PET CG CAP 0.100000 12.0110 0 12043 BK 1 PET C1 CL 0.630000 12.0110 0 12044 BK 1 PET O11 OBL -0.520000 15.9990 0 12045 BK 1 PET O12 OSL -0.340000 15.9990 0 12046 BK 1 PET C3 CTL2 -0.050000 12.0110 0 12047 BK 1 PET H31 HAL2 0.090000 1.0080 0 12048 BK 1 PET H32 HAL2 0.090000 1.0080 0 12049 BK 2 PET CD1 CAP -0.115000 12.0110 0 12050 BK 2 PET HD1 HP 0.115000 1.0080 0 12051 BK 2 PET CE1 CAP -0.115000 12.0110 0 12052 BK 2 PET HE1 HP 0.115000 1.0080 0 12053 BK 2 PET CD2 CAP -0.115000 12.0110 0 12054 BK 2 PET HD2 HP 0.115000 1.0080 0 12055 BK 2 PET CE2 CAP -0.115000 12.0110 0 12056 BK 2 PET HE2 HP 0.115000 1.0080 0 12057 BK 2 PET CG CAP 0.100000 12.0110 0 12058 BK 2 PET C1 CL 0.630000 12.0110 0 12059 BK 2 PET O11 OBL -0.520000 15.9990 0 12060 BK 2 PET O12 OSL -0.340000 15.9990 0 12061 BK 2 PET C3 CTL2 -0.050000 12.0110 0 12062 BK 2 PET H31 HAL2 0.090000 1.0080 0 12063 BK 2 PET H32 HAL2 0.090000 1.0080 0 12064 BK 2 PET CZ CAP 0.100000 12.0110 0 12065 BK 2 PET C2 CL 0.630000 12.0110 0 12066 BK 2 PET O21 OBL -0.520000 15.9990 0 12067 BK 2 PET O22 OSL -0.340000 15.9990 0 12068 BK 2 PET C4 CTL2 -0.050000 12.0110 0 12069 BK 2 PET H41 HAL2 0.090000 1.0080 0 12070 BK 2 PET H42 HAL2 0.090000 1.0080 0 12071 BK 3 PET CD1 CAP -0.115000 12.0110 0 12072 BK 3 PET HD1 HP 0.115000 1.0080 0 12073 BK 3 PET CE1 CAP -0.115000 12.0110 0 12074 BK 3 PET HE1 HP 0.115000 1.0080 0 12075 BK 3 PET CD2 CAP -0.115000 12.0110 0 12076 BK 3 PET HD2 HP 0.115000 1.0080 0 12077 BK 3 PET CE2 CAP -0.115000 12.0110 0 12078 BK 3 PET HE2 HP 0.115000 1.0080 0 12079 BK 3 PET CG CAP 0.100000 12.0110 0 12080 BK 3 PET C1 CL 0.630000 12.0110 0 12081 BK 3 PET O11 OBL -0.520000 15.9990 0 12082 BK 3 PET O12 OSL -0.340000 15.9990 0 12083 BK 3 PET C3 CTL2 -0.050000 12.0110 0 12084 BK 3 PET H31 HAL2 0.090000 1.0080 0 12085 BK 3 PET H32 HAL2 0.090000 1.0080 0 12086 BK 3 PET CZ CAP 0.100000 12.0110 0 12087 BK 3 PET C2 CL 0.630000 12.0110 0 12088 BK 3 PET O21 OBL -0.520000 15.9990 0 12089 BK 3 PET O22 OSL -0.340000 15.9990 0 12090 BK 3 PET C4 CTL2 -0.050000 12.0110 0 12091 BK 3 PET H41 HAL2 0.090000 1.0080 0 12092 BK 3 PET H42 HAL2 0.090000 1.0080 0 12093 BK 4 PET CD1 CAP -0.115000 12.0110 0 12094 BK 4 PET HD1 HP 0.115000 1.0080 0 12095 BK 4 PET CE1 CAP -0.115000 12.0110 0 12096 BK 4 PET HE1 HP 0.115000 1.0080 0 12097 BK 4 PET CD2 CAP -0.115000 12.0110 0 12098 BK 4 PET HD2 HP 0.115000 1.0080 0 12099 BK 4 PET CE2 CAP -0.115000 12.0110 0 12100 BK 4 PET HE2 HP 0.115000 1.0080 0 12101 BK 4 PET CG CAP 0.100000 12.0110 0 12102 BK 4 PET C1 CL 0.630000 12.0110 0 12103 BK 4 PET O11 OBL -0.520000 15.9990 0 12104 BK 4 PET O12 OSL -0.340000 15.9990 0 12105 BK 4 PET C3 CTL2 -0.050000 12.0110 0 12106 BK 4 PET H31 HAL2 0.090000 1.0080 0 12107 BK 4 PET H32 HAL2 0.090000 1.0080 0 12108 BK 4 PET CZ CAP 0.100000 12.0110 0 12109 BK 4 PET C2 CL 0.630000 12.0110 0 12110 BK 4 PET O21 OBL -0.520000 15.9990 0 12111 BK 4 PET O22 OSL -0.340000 15.9990 0 12112 BK 4 PET C4 CTL2 -0.050000 12.0110 0 12113 BK 4 PET H41 HAL2 0.090000 1.0080 0 12114 BK 4 PET H42 HAL2 0.090000 1.0080 0 12115 BK 5 PET CD1 CAP -0.115000 12.0110 0 12116 BK 5 PET HD1 HP 0.115000 1.0080 0 12117 BK 5 PET CE1 CAP -0.115000 12.0110 0 12118 BK 5 PET HE1 HP 0.115000 1.0080 0 12119 BK 5 PET CD2 CAP -0.115000 12.0110 0 12120 BK 5 PET HD2 HP 0.115000 1.0080 0 12121 BK 5 PET CE2 CAP -0.115000 12.0110 0 12122 BK 5 PET HE2 HP 0.115000 1.0080 0 12123 BK 5 PET CG CAP 0.100000 12.0110 0 12124 BK 5 PET C1 CL 0.630000 12.0110 0 12125 BK 5 PET O11 OBL -0.520000 15.9990 0 12126 BK 5 PET O12 OSL -0.340000 15.9990 0 12127 BK 5 PET C3 CTL2 -0.050000 12.0110 0 12128 BK 5 PET H31 HAL2 0.090000 1.0080 0 12129 BK 5 PET H32 HAL2 0.090000 1.0080 0 12130 BK 5 PET CZ CAP 0.100000 12.0110 0 12131 BK 5 PET C2 CL 0.630000 12.0110 0 12132 BK 5 PET O21 OBL -0.520000 15.9990 0 12133 BK 5 PET O22 OSL -0.340000 15.9990 0 12134 BK 5 PET C4 CTL2 -0.050000 12.0110 0 12135 BK 5 PET H41 HAL2 0.090000 1.0080 0 12136 BK 5 PET H42 HAL2 0.090000 1.0080 0 12137 BK 6 PET CD1 CAP -0.115000 12.0110 0 12138 BK 6 PET HD1 HP 0.115000 1.0080 0 12139 BK 6 PET CE1 CAP -0.115000 12.0110 0 12140 BK 6 PET HE1 HP 0.115000 1.0080 0 12141 BK 6 PET CD2 CAP -0.115000 12.0110 0 12142 BK 6 PET HD2 HP 0.115000 1.0080 0 12143 BK 6 PET CE2 CAP -0.115000 12.0110 0 12144 BK 6 PET HE2 HP 0.115000 1.0080 0 12145 BK 6 PET CG CAP 0.100000 12.0110 0 12146 BK 6 PET C1 CL 0.630000 12.0110 0 12147 BK 6 PET O11 OBL -0.520000 15.9990 0 12148 BK 6 PET O12 OSL -0.340000 15.9990 0 12149 BK 6 PET C3 CTL2 -0.050000 12.0110 0 12150 BK 6 PET H31 HAL2 0.090000 1.0080 0 12151 BK 6 PET H32 HAL2 0.090000 1.0080 0 12152 BK 6 PET CZ CAP 0.100000 12.0110 0 12153 BK 6 PET C2 CL 0.630000 12.0110 0 12154 BK 6 PET O21 OBL -0.520000 15.9990 0 12155 BK 6 PET O22 OSL -0.340000 15.9990 0 12156 BK 6 PET C4 CTL2 -0.050000 12.0110 0 12157 BK 6 PET H41 HAL2 0.090000 1.0080 0 12158 BK 6 PET H42 HAL2 0.090000 1.0080 0 12159 BK 7 PET CD1 CAP -0.115000 12.0110 0 12160 BK 7 PET HD1 HP 0.115000 1.0080 0 12161 BK 7 PET CE1 CAP -0.115000 12.0110 0 12162 BK 7 PET HE1 HP 0.115000 1.0080 0 12163 BK 7 PET CD2 CAP -0.115000 12.0110 0 12164 BK 7 PET HD2 HP 0.115000 1.0080 0 12165 BK 7 PET CE2 CAP -0.115000 12.0110 0 12166 BK 7 PET HE2 HP 0.115000 1.0080 0 12167 BK 7 PET CG CAP 0.100000 12.0110 0 12168 BK 7 PET C1 CL 0.630000 12.0110 0 12169 BK 7 PET O11 OBL -0.520000 15.9990 0 12170 BK 7 PET O12 OSL -0.340000 15.9990 0 12171 BK 7 PET C3 CTL2 -0.050000 12.0110 0 12172 BK 7 PET H31 HAL2 0.090000 1.0080 0 12173 BK 7 PET H32 HAL2 0.090000 1.0080 0 12174 BK 7 PET CZ CAP 0.100000 12.0110 0 12175 BK 7 PET C2 CL 0.630000 12.0110 0 12176 BK 7 PET O21 OBL -0.520000 15.9990 0 12177 BK 7 PET O22 OSL -0.340000 15.9990 0 12178 BK 7 PET C4 CTL2 -0.050000 12.0110 0 12179 BK 7 PET H41 HAL2 0.090000 1.0080 0 12180 BK 7 PET H42 HAL2 0.090000 1.0080 0 12181 BK 8 PET CD1 CAP -0.115000 12.0110 0 12182 BK 8 PET HD1 HP 0.115000 1.0080 0 12183 BK 8 PET CE1 CAP -0.115000 12.0110 0 12184 BK 8 PET HE1 HP 0.115000 1.0080 0 12185 BK 8 PET CD2 CAP -0.115000 12.0110 0 12186 BK 8 PET HD2 HP 0.115000 1.0080 0 12187 BK 8 PET CE2 CAP -0.115000 12.0110 0 12188 BK 8 PET HE2 HP 0.115000 1.0080 0 12189 BK 8 PET CG CAP 0.100000 12.0110 0 12190 BK 8 PET C1 CL 0.630000 12.0110 0 12191 BK 8 PET O11 OBL -0.520000 15.9990 0 12192 BK 8 PET O12 OSL -0.340000 15.9990 0 12193 BK 8 PET C3 CTL2 -0.050000 12.0110 0 12194 BK 8 PET H31 HAL2 0.090000 1.0080 0 12195 BK 8 PET H32 HAL2 0.090000 1.0080 0 12196 BK 8 PET CZ CAP 0.100000 12.0110 0 12197 BK 8 PET C2 CL 0.630000 12.0110 0 12198 BK 8 PET O21 OBL -0.520000 15.9990 0 12199 BK 8 PET O22 OSL -0.340000 15.9990 0 12200 BK 8 PET C4 CTL2 -0.050000 12.0110 0 12201 BK 8 PET H41 HAL2 0.090000 1.0080 0 12202 BK 8 PET H42 HAL2 0.090000 1.0080 0 12203 BK 9 PET C1 CD 0.750000 12.0110 0 12204 BK 9 PET O11 OB -0.550000 15.9990 0 12205 BK 9 PET O12 OH1 -0.610000 15.9990 0 12206 BK 9 PET CG CAP -0.030000 12.0110 0 12207 BK 9 PET H12 H 0.440000 1.0080 0 12208 BK 9 PET CD1 CAP -0.115000 12.0110 0 12209 BK 9 PET HD1 HP 0.115000 1.0080 0 12210 BK 9 PET CE1 CAP -0.115000 12.0110 0 12211 BK 9 PET HE1 HP 0.115000 1.0080 0 12212 BK 9 PET CD2 CAP -0.115000 12.0110 0 12213 BK 9 PET HD2 HP 0.115000 1.0080 0 12214 BK 9 PET CE2 CAP -0.115000 12.0110 0 12215 BK 9 PET HE2 HP 0.115000 1.0080 0 12216 BK 9 PET CZ CAP 0.100000 12.0110 0 12217 BK 9 PET C2 CL 0.630000 12.0110 0 12218 BK 9 PET O21 OBL -0.520000 15.9990 0 12219 BK 9 PET O22 OSL -0.340000 15.9990 0 12220 BK 9 PET C4 CTL2 -0.050000 12.0110 0 12221 BK 9 PET H41 HAL2 0.090000 1.0080 0 12222 BK 9 PET H42 HAL2 0.090000 1.0080 0 12223 BL 1 PET C2 CD 0.750000 12.0110 0 12224 BL 1 PET O21 OB -0.550000 15.9990 0 12225 BL 1 PET O22 OH1 -0.610000 15.9990 0 12226 BL 1 PET CZ CAP -0.030000 12.0110 0 12227 BL 1 PET H22 H 0.440000 1.0080 0 12228 BL 1 PET CD1 CAP -0.115000 12.0110 0 12229 BL 1 PET HD1 HP 0.115000 1.0080 0 12230 BL 1 PET CE1 CAP -0.115000 12.0110 0 12231 BL 1 PET HE1 HP 0.115000 1.0080 0 12232 BL 1 PET CD2 CAP -0.115000 12.0110 0 12233 BL 1 PET HD2 HP 0.115000 1.0080 0 12234 BL 1 PET CE2 CAP -0.115000 12.0110 0 12235 BL 1 PET HE2 HP 0.115000 1.0080 0 12236 BL 1 PET CG CAP 0.100000 12.0110 0 12237 BL 1 PET C1 CL 0.630000 12.0110 0 12238 BL 1 PET O11 OBL -0.520000 15.9990 0 12239 BL 1 PET O12 OSL -0.340000 15.9990 0 12240 BL 1 PET C3 CTL2 -0.050000 12.0110 0 12241 BL 1 PET H31 HAL2 0.090000 1.0080 0 12242 BL 1 PET H32 HAL2 0.090000 1.0080 0 12243 BL 2 PET CD1 CAP -0.115000 12.0110 0 12244 BL 2 PET HD1 HP 0.115000 1.0080 0 12245 BL 2 PET CE1 CAP -0.115000 12.0110 0 12246 BL 2 PET HE1 HP 0.115000 1.0080 0 12247 BL 2 PET CD2 CAP -0.115000 12.0110 0 12248 BL 2 PET HD2 HP 0.115000 1.0080 0 12249 BL 2 PET CE2 CAP -0.115000 12.0110 0 12250 BL 2 PET HE2 HP 0.115000 1.0080 0 12251 BL 2 PET CG CAP 0.100000 12.0110 0 12252 BL 2 PET C1 CL 0.630000 12.0110 0 12253 BL 2 PET O11 OBL -0.520000 15.9990 0 12254 BL 2 PET O12 OSL -0.340000 15.9990 0 12255 BL 2 PET C3 CTL2 -0.050000 12.0110 0 12256 BL 2 PET H31 HAL2 0.090000 1.0080 0 12257 BL 2 PET H32 HAL2 0.090000 1.0080 0 12258 BL 2 PET CZ CAP 0.100000 12.0110 0 12259 BL 2 PET C2 CL 0.630000 12.0110 0 12260 BL 2 PET O21 OBL -0.520000 15.9990 0 12261 BL 2 PET O22 OSL -0.340000 15.9990 0 12262 BL 2 PET C4 CTL2 -0.050000 12.0110 0 12263 BL 2 PET H41 HAL2 0.090000 1.0080 0 12264 BL 2 PET H42 HAL2 0.090000 1.0080 0 12265 BL 3 PET CD1 CAP -0.115000 12.0110 0 12266 BL 3 PET HD1 HP 0.115000 1.0080 0 12267 BL 3 PET CE1 CAP -0.115000 12.0110 0 12268 BL 3 PET HE1 HP 0.115000 1.0080 0 12269 BL 3 PET CD2 CAP -0.115000 12.0110 0 12270 BL 3 PET HD2 HP 0.115000 1.0080 0 12271 BL 3 PET CE2 CAP -0.115000 12.0110 0 12272 BL 3 PET HE2 HP 0.115000 1.0080 0 12273 BL 3 PET CG CAP 0.100000 12.0110 0 12274 BL 3 PET C1 CL 0.630000 12.0110 0 12275 BL 3 PET O11 OBL -0.520000 15.9990 0 12276 BL 3 PET O12 OSL -0.340000 15.9990 0 12277 BL 3 PET C3 CTL2 -0.050000 12.0110 0 12278 BL 3 PET H31 HAL2 0.090000 1.0080 0 12279 BL 3 PET H32 HAL2 0.090000 1.0080 0 12280 BL 3 PET CZ CAP 0.100000 12.0110 0 12281 BL 3 PET C2 CL 0.630000 12.0110 0 12282 BL 3 PET O21 OBL -0.520000 15.9990 0 12283 BL 3 PET O22 OSL -0.340000 15.9990 0 12284 BL 3 PET C4 CTL2 -0.050000 12.0110 0 12285 BL 3 PET H41 HAL2 0.090000 1.0080 0 12286 BL 3 PET H42 HAL2 0.090000 1.0080 0 12287 BL 4 PET CD1 CAP -0.115000 12.0110 0 12288 BL 4 PET HD1 HP 0.115000 1.0080 0 12289 BL 4 PET CE1 CAP -0.115000 12.0110 0 12290 BL 4 PET HE1 HP 0.115000 1.0080 0 12291 BL 4 PET CD2 CAP -0.115000 12.0110 0 12292 BL 4 PET HD2 HP 0.115000 1.0080 0 12293 BL 4 PET CE2 CAP -0.115000 12.0110 0 12294 BL 4 PET HE2 HP 0.115000 1.0080 0 12295 BL 4 PET CG CAP 0.100000 12.0110 0 12296 BL 4 PET C1 CL 0.630000 12.0110 0 12297 BL 4 PET O11 OBL -0.520000 15.9990 0 12298 BL 4 PET O12 OSL -0.340000 15.9990 0 12299 BL 4 PET C3 CTL2 -0.050000 12.0110 0 12300 BL 4 PET H31 HAL2 0.090000 1.0080 0 12301 BL 4 PET H32 HAL2 0.090000 1.0080 0 12302 BL 4 PET CZ CAP 0.100000 12.0110 0 12303 BL 4 PET C2 CL 0.630000 12.0110 0 12304 BL 4 PET O21 OBL -0.520000 15.9990 0 12305 BL 4 PET O22 OSL -0.340000 15.9990 0 12306 BL 4 PET C4 CTL2 -0.050000 12.0110 0 12307 BL 4 PET H41 HAL2 0.090000 1.0080 0 12308 BL 4 PET H42 HAL2 0.090000 1.0080 0 12309 BL 5 PET CD1 CAP -0.115000 12.0110 0 12310 BL 5 PET HD1 HP 0.115000 1.0080 0 12311 BL 5 PET CE1 CAP -0.115000 12.0110 0 12312 BL 5 PET HE1 HP 0.115000 1.0080 0 12313 BL 5 PET CD2 CAP -0.115000 12.0110 0 12314 BL 5 PET HD2 HP 0.115000 1.0080 0 12315 BL 5 PET CE2 CAP -0.115000 12.0110 0 12316 BL 5 PET HE2 HP 0.115000 1.0080 0 12317 BL 5 PET CG CAP 0.100000 12.0110 0 12318 BL 5 PET C1 CL 0.630000 12.0110 0 12319 BL 5 PET O11 OBL -0.520000 15.9990 0 12320 BL 5 PET O12 OSL -0.340000 15.9990 0 12321 BL 5 PET C3 CTL2 -0.050000 12.0110 0 12322 BL 5 PET H31 HAL2 0.090000 1.0080 0 12323 BL 5 PET H32 HAL2 0.090000 1.0080 0 12324 BL 5 PET CZ CAP 0.100000 12.0110 0 12325 BL 5 PET C2 CL 0.630000 12.0110 0 12326 BL 5 PET O21 OBL -0.520000 15.9990 0 12327 BL 5 PET O22 OSL -0.340000 15.9990 0 12328 BL 5 PET C4 CTL2 -0.050000 12.0110 0 12329 BL 5 PET H41 HAL2 0.090000 1.0080 0 12330 BL 5 PET H42 HAL2 0.090000 1.0080 0 12331 BL 6 PET CD1 CAP -0.115000 12.0110 0 12332 BL 6 PET HD1 HP 0.115000 1.0080 0 12333 BL 6 PET CE1 CAP -0.115000 12.0110 0 12334 BL 6 PET HE1 HP 0.115000 1.0080 0 12335 BL 6 PET CD2 CAP -0.115000 12.0110 0 12336 BL 6 PET HD2 HP 0.115000 1.0080 0 12337 BL 6 PET CE2 CAP -0.115000 12.0110 0 12338 BL 6 PET HE2 HP 0.115000 1.0080 0 12339 BL 6 PET CG CAP 0.100000 12.0110 0 12340 BL 6 PET C1 CL 0.630000 12.0110 0 12341 BL 6 PET O11 OBL -0.520000 15.9990 0 12342 BL 6 PET O12 OSL -0.340000 15.9990 0 12343 BL 6 PET C3 CTL2 -0.050000 12.0110 0 12344 BL 6 PET H31 HAL2 0.090000 1.0080 0 12345 BL 6 PET H32 HAL2 0.090000 1.0080 0 12346 BL 6 PET CZ CAP 0.100000 12.0110 0 12347 BL 6 PET C2 CL 0.630000 12.0110 0 12348 BL 6 PET O21 OBL -0.520000 15.9990 0 12349 BL 6 PET O22 OSL -0.340000 15.9990 0 12350 BL 6 PET C4 CTL2 -0.050000 12.0110 0 12351 BL 6 PET H41 HAL2 0.090000 1.0080 0 12352 BL 6 PET H42 HAL2 0.090000 1.0080 0 12353 BL 7 PET CD1 CAP -0.115000 12.0110 0 12354 BL 7 PET HD1 HP 0.115000 1.0080 0 12355 BL 7 PET CE1 CAP -0.115000 12.0110 0 12356 BL 7 PET HE1 HP 0.115000 1.0080 0 12357 BL 7 PET CD2 CAP -0.115000 12.0110 0 12358 BL 7 PET HD2 HP 0.115000 1.0080 0 12359 BL 7 PET CE2 CAP -0.115000 12.0110 0 12360 BL 7 PET HE2 HP 0.115000 1.0080 0 12361 BL 7 PET CG CAP 0.100000 12.0110 0 12362 BL 7 PET C1 CL 0.630000 12.0110 0 12363 BL 7 PET O11 OBL -0.520000 15.9990 0 12364 BL 7 PET O12 OSL -0.340000 15.9990 0 12365 BL 7 PET C3 CTL2 -0.050000 12.0110 0 12366 BL 7 PET H31 HAL2 0.090000 1.0080 0 12367 BL 7 PET H32 HAL2 0.090000 1.0080 0 12368 BL 7 PET CZ CAP 0.100000 12.0110 0 12369 BL 7 PET C2 CL 0.630000 12.0110 0 12370 BL 7 PET O21 OBL -0.520000 15.9990 0 12371 BL 7 PET O22 OSL -0.340000 15.9990 0 12372 BL 7 PET C4 CTL2 -0.050000 12.0110 0 12373 BL 7 PET H41 HAL2 0.090000 1.0080 0 12374 BL 7 PET H42 HAL2 0.090000 1.0080 0 12375 BL 8 PET CD1 CAP -0.115000 12.0110 0 12376 BL 8 PET HD1 HP 0.115000 1.0080 0 12377 BL 8 PET CE1 CAP -0.115000 12.0110 0 12378 BL 8 PET HE1 HP 0.115000 1.0080 0 12379 BL 8 PET CD2 CAP -0.115000 12.0110 0 12380 BL 8 PET HD2 HP 0.115000 1.0080 0 12381 BL 8 PET CE2 CAP -0.115000 12.0110 0 12382 BL 8 PET HE2 HP 0.115000 1.0080 0 12383 BL 8 PET CG CAP 0.100000 12.0110 0 12384 BL 8 PET C1 CL 0.630000 12.0110 0 12385 BL 8 PET O11 OBL -0.520000 15.9990 0 12386 BL 8 PET O12 OSL -0.340000 15.9990 0 12387 BL 8 PET C3 CTL2 -0.050000 12.0110 0 12388 BL 8 PET H31 HAL2 0.090000 1.0080 0 12389 BL 8 PET H32 HAL2 0.090000 1.0080 0 12390 BL 8 PET CZ CAP 0.100000 12.0110 0 12391 BL 8 PET C2 CL 0.630000 12.0110 0 12392 BL 8 PET O21 OBL -0.520000 15.9990 0 12393 BL 8 PET O22 OSL -0.340000 15.9990 0 12394 BL 8 PET C4 CTL2 -0.050000 12.0110 0 12395 BL 8 PET H41 HAL2 0.090000 1.0080 0 12396 BL 8 PET H42 HAL2 0.090000 1.0080 0 12397 BL 9 PET C1 CD 0.750000 12.0110 0 12398 BL 9 PET O11 OB -0.550000 15.9990 0 12399 BL 9 PET O12 OH1 -0.610000 15.9990 0 12400 BL 9 PET CG CAP -0.030000 12.0110 0 12401 BL 9 PET H12 H 0.440000 1.0080 0 12402 BL 9 PET CD1 CAP -0.115000 12.0110 0 12403 BL 9 PET HD1 HP 0.115000 1.0080 0 12404 BL 9 PET CE1 CAP -0.115000 12.0110 0 12405 BL 9 PET HE1 HP 0.115000 1.0080 0 12406 BL 9 PET CD2 CAP -0.115000 12.0110 0 12407 BL 9 PET HD2 HP 0.115000 1.0080 0 12408 BL 9 PET CE2 CAP -0.115000 12.0110 0 12409 BL 9 PET HE2 HP 0.115000 1.0080 0 12410 BL 9 PET CZ CAP 0.100000 12.0110 0 12411 BL 9 PET C2 CL 0.630000 12.0110 0 12412 BL 9 PET O21 OBL -0.520000 15.9990 0 12413 BL 9 PET O22 OSL -0.340000 15.9990 0 12414 BL 9 PET C4 CTL2 -0.050000 12.0110 0 12415 BL 9 PET H41 HAL2 0.090000 1.0080 0 12416 BL 9 PET H42 HAL2 0.090000 1.0080 0 12417 BM 1 PET C2 CD 0.750000 12.0110 0 12418 BM 1 PET O21 OB -0.550000 15.9990 0 12419 BM 1 PET O22 OH1 -0.610000 15.9990 0 12420 BM 1 PET CZ CAP -0.030000 12.0110 0 12421 BM 1 PET H22 H 0.440000 1.0080 0 12422 BM 1 PET CD1 CAP -0.115000 12.0110 0 12423 BM 1 PET HD1 HP 0.115000 1.0080 0 12424 BM 1 PET CE1 CAP -0.115000 12.0110 0 12425 BM 1 PET HE1 HP 0.115000 1.0080 0 12426 BM 1 PET CD2 CAP -0.115000 12.0110 0 12427 BM 1 PET HD2 HP 0.115000 1.0080 0 12428 BM 1 PET CE2 CAP -0.115000 12.0110 0 12429 BM 1 PET HE2 HP 0.115000 1.0080 0 12430 BM 1 PET CG CAP 0.100000 12.0110 0 12431 BM 1 PET C1 CL 0.630000 12.0110 0 12432 BM 1 PET O11 OBL -0.520000 15.9990 0 12433 BM 1 PET O12 OSL -0.340000 15.9990 0 12434 BM 1 PET C3 CTL2 -0.050000 12.0110 0 12435 BM 1 PET H31 HAL2 0.090000 1.0080 0 12436 BM 1 PET H32 HAL2 0.090000 1.0080 0 12437 BM 2 PET CD1 CAP -0.115000 12.0110 0 12438 BM 2 PET HD1 HP 0.115000 1.0080 0 12439 BM 2 PET CE1 CAP -0.115000 12.0110 0 12440 BM 2 PET HE1 HP 0.115000 1.0080 0 12441 BM 2 PET CD2 CAP -0.115000 12.0110 0 12442 BM 2 PET HD2 HP 0.115000 1.0080 0 12443 BM 2 PET CE2 CAP -0.115000 12.0110 0 12444 BM 2 PET HE2 HP 0.115000 1.0080 0 12445 BM 2 PET CG CAP 0.100000 12.0110 0 12446 BM 2 PET C1 CL 0.630000 12.0110 0 12447 BM 2 PET O11 OBL -0.520000 15.9990 0 12448 BM 2 PET O12 OSL -0.340000 15.9990 0 12449 BM 2 PET C3 CTL2 -0.050000 12.0110 0 12450 BM 2 PET H31 HAL2 0.090000 1.0080 0 12451 BM 2 PET H32 HAL2 0.090000 1.0080 0 12452 BM 2 PET CZ CAP 0.100000 12.0110 0 12453 BM 2 PET C2 CL 0.630000 12.0110 0 12454 BM 2 PET O21 OBL -0.520000 15.9990 0 12455 BM 2 PET O22 OSL -0.340000 15.9990 0 12456 BM 2 PET C4 CTL2 -0.050000 12.0110 0 12457 BM 2 PET H41 HAL2 0.090000 1.0080 0 12458 BM 2 PET H42 HAL2 0.090000 1.0080 0 12459 BM 3 PET CD1 CAP -0.115000 12.0110 0 12460 BM 3 PET HD1 HP 0.115000 1.0080 0 12461 BM 3 PET CE1 CAP -0.115000 12.0110 0 12462 BM 3 PET HE1 HP 0.115000 1.0080 0 12463 BM 3 PET CD2 CAP -0.115000 12.0110 0 12464 BM 3 PET HD2 HP 0.115000 1.0080 0 12465 BM 3 PET CE2 CAP -0.115000 12.0110 0 12466 BM 3 PET HE2 HP 0.115000 1.0080 0 12467 BM 3 PET CG CAP 0.100000 12.0110 0 12468 BM 3 PET C1 CL 0.630000 12.0110 0 12469 BM 3 PET O11 OBL -0.520000 15.9990 0 12470 BM 3 PET O12 OSL -0.340000 15.9990 0 12471 BM 3 PET C3 CTL2 -0.050000 12.0110 0 12472 BM 3 PET H31 HAL2 0.090000 1.0080 0 12473 BM 3 PET H32 HAL2 0.090000 1.0080 0 12474 BM 3 PET CZ CAP 0.100000 12.0110 0 12475 BM 3 PET C2 CL 0.630000 12.0110 0 12476 BM 3 PET O21 OBL -0.520000 15.9990 0 12477 BM 3 PET O22 OSL -0.340000 15.9990 0 12478 BM 3 PET C4 CTL2 -0.050000 12.0110 0 12479 BM 3 PET H41 HAL2 0.090000 1.0080 0 12480 BM 3 PET H42 HAL2 0.090000 1.0080 0 12481 BM 4 PET CD1 CAP -0.115000 12.0110 0 12482 BM 4 PET HD1 HP 0.115000 1.0080 0 12483 BM 4 PET CE1 CAP -0.115000 12.0110 0 12484 BM 4 PET HE1 HP 0.115000 1.0080 0 12485 BM 4 PET CD2 CAP -0.115000 12.0110 0 12486 BM 4 PET HD2 HP 0.115000 1.0080 0 12487 BM 4 PET CE2 CAP -0.115000 12.0110 0 12488 BM 4 PET HE2 HP 0.115000 1.0080 0 12489 BM 4 PET CG CAP 0.100000 12.0110 0 12490 BM 4 PET C1 CL 0.630000 12.0110 0 12491 BM 4 PET O11 OBL -0.520000 15.9990 0 12492 BM 4 PET O12 OSL -0.340000 15.9990 0 12493 BM 4 PET C3 CTL2 -0.050000 12.0110 0 12494 BM 4 PET H31 HAL2 0.090000 1.0080 0 12495 BM 4 PET H32 HAL2 0.090000 1.0080 0 12496 BM 4 PET CZ CAP 0.100000 12.0110 0 12497 BM 4 PET C2 CL 0.630000 12.0110 0 12498 BM 4 PET O21 OBL -0.520000 15.9990 0 12499 BM 4 PET O22 OSL -0.340000 15.9990 0 12500 BM 4 PET C4 CTL2 -0.050000 12.0110 0 12501 BM 4 PET H41 HAL2 0.090000 1.0080 0 12502 BM 4 PET H42 HAL2 0.090000 1.0080 0 12503 BM 5 PET CD1 CAP -0.115000 12.0110 0 12504 BM 5 PET HD1 HP 0.115000 1.0080 0 12505 BM 5 PET CE1 CAP -0.115000 12.0110 0 12506 BM 5 PET HE1 HP 0.115000 1.0080 0 12507 BM 5 PET CD2 CAP -0.115000 12.0110 0 12508 BM 5 PET HD2 HP 0.115000 1.0080 0 12509 BM 5 PET CE2 CAP -0.115000 12.0110 0 12510 BM 5 PET HE2 HP 0.115000 1.0080 0 12511 BM 5 PET CG CAP 0.100000 12.0110 0 12512 BM 5 PET C1 CL 0.630000 12.0110 0 12513 BM 5 PET O11 OBL -0.520000 15.9990 0 12514 BM 5 PET O12 OSL -0.340000 15.9990 0 12515 BM 5 PET C3 CTL2 -0.050000 12.0110 0 12516 BM 5 PET H31 HAL2 0.090000 1.0080 0 12517 BM 5 PET H32 HAL2 0.090000 1.0080 0 12518 BM 5 PET CZ CAP 0.100000 12.0110 0 12519 BM 5 PET C2 CL 0.630000 12.0110 0 12520 BM 5 PET O21 OBL -0.520000 15.9990 0 12521 BM 5 PET O22 OSL -0.340000 15.9990 0 12522 BM 5 PET C4 CTL2 -0.050000 12.0110 0 12523 BM 5 PET H41 HAL2 0.090000 1.0080 0 12524 BM 5 PET H42 HAL2 0.090000 1.0080 0 12525 BM 6 PET CD1 CAP -0.115000 12.0110 0 12526 BM 6 PET HD1 HP 0.115000 1.0080 0 12527 BM 6 PET CE1 CAP -0.115000 12.0110 0 12528 BM 6 PET HE1 HP 0.115000 1.0080 0 12529 BM 6 PET CD2 CAP -0.115000 12.0110 0 12530 BM 6 PET HD2 HP 0.115000 1.0080 0 12531 BM 6 PET CE2 CAP -0.115000 12.0110 0 12532 BM 6 PET HE2 HP 0.115000 1.0080 0 12533 BM 6 PET CG CAP 0.100000 12.0110 0 12534 BM 6 PET C1 CL 0.630000 12.0110 0 12535 BM 6 PET O11 OBL -0.520000 15.9990 0 12536 BM 6 PET O12 OSL -0.340000 15.9990 0 12537 BM 6 PET C3 CTL2 -0.050000 12.0110 0 12538 BM 6 PET H31 HAL2 0.090000 1.0080 0 12539 BM 6 PET H32 HAL2 0.090000 1.0080 0 12540 BM 6 PET CZ CAP 0.100000 12.0110 0 12541 BM 6 PET C2 CL 0.630000 12.0110 0 12542 BM 6 PET O21 OBL -0.520000 15.9990 0 12543 BM 6 PET O22 OSL -0.340000 15.9990 0 12544 BM 6 PET C4 CTL2 -0.050000 12.0110 0 12545 BM 6 PET H41 HAL2 0.090000 1.0080 0 12546 BM 6 PET H42 HAL2 0.090000 1.0080 0 12547 BM 7 PET CD1 CAP -0.115000 12.0110 0 12548 BM 7 PET HD1 HP 0.115000 1.0080 0 12549 BM 7 PET CE1 CAP -0.115000 12.0110 0 12550 BM 7 PET HE1 HP 0.115000 1.0080 0 12551 BM 7 PET CD2 CAP -0.115000 12.0110 0 12552 BM 7 PET HD2 HP 0.115000 1.0080 0 12553 BM 7 PET CE2 CAP -0.115000 12.0110 0 12554 BM 7 PET HE2 HP 0.115000 1.0080 0 12555 BM 7 PET CG CAP 0.100000 12.0110 0 12556 BM 7 PET C1 CL 0.630000 12.0110 0 12557 BM 7 PET O11 OBL -0.520000 15.9990 0 12558 BM 7 PET O12 OSL -0.340000 15.9990 0 12559 BM 7 PET C3 CTL2 -0.050000 12.0110 0 12560 BM 7 PET H31 HAL2 0.090000 1.0080 0 12561 BM 7 PET H32 HAL2 0.090000 1.0080 0 12562 BM 7 PET CZ CAP 0.100000 12.0110 0 12563 BM 7 PET C2 CL 0.630000 12.0110 0 12564 BM 7 PET O21 OBL -0.520000 15.9990 0 12565 BM 7 PET O22 OSL -0.340000 15.9990 0 12566 BM 7 PET C4 CTL2 -0.050000 12.0110 0 12567 BM 7 PET H41 HAL2 0.090000 1.0080 0 12568 BM 7 PET H42 HAL2 0.090000 1.0080 0 12569 BM 8 PET CD1 CAP -0.115000 12.0110 0 12570 BM 8 PET HD1 HP 0.115000 1.0080 0 12571 BM 8 PET CE1 CAP -0.115000 12.0110 0 12572 BM 8 PET HE1 HP 0.115000 1.0080 0 12573 BM 8 PET CD2 CAP -0.115000 12.0110 0 12574 BM 8 PET HD2 HP 0.115000 1.0080 0 12575 BM 8 PET CE2 CAP -0.115000 12.0110 0 12576 BM 8 PET HE2 HP 0.115000 1.0080 0 12577 BM 8 PET CG CAP 0.100000 12.0110 0 12578 BM 8 PET C1 CL 0.630000 12.0110 0 12579 BM 8 PET O11 OBL -0.520000 15.9990 0 12580 BM 8 PET O12 OSL -0.340000 15.9990 0 12581 BM 8 PET C3 CTL2 -0.050000 12.0110 0 12582 BM 8 PET H31 HAL2 0.090000 1.0080 0 12583 BM 8 PET H32 HAL2 0.090000 1.0080 0 12584 BM 8 PET CZ CAP 0.100000 12.0110 0 12585 BM 8 PET C2 CL 0.630000 12.0110 0 12586 BM 8 PET O21 OBL -0.520000 15.9990 0 12587 BM 8 PET O22 OSL -0.340000 15.9990 0 12588 BM 8 PET C4 CTL2 -0.050000 12.0110 0 12589 BM 8 PET H41 HAL2 0.090000 1.0080 0 12590 BM 8 PET H42 HAL2 0.090000 1.0080 0 12591 BM 9 PET C1 CD 0.750000 12.0110 0 12592 BM 9 PET O11 OB -0.550000 15.9990 0 12593 BM 9 PET O12 OH1 -0.610000 15.9990 0 12594 BM 9 PET CG CAP -0.030000 12.0110 0 12595 BM 9 PET H12 H 0.440000 1.0080 0 12596 BM 9 PET CD1 CAP -0.115000 12.0110 0 12597 BM 9 PET HD1 HP 0.115000 1.0080 0 12598 BM 9 PET CE1 CAP -0.115000 12.0110 0 12599 BM 9 PET HE1 HP 0.115000 1.0080 0 12600 BM 9 PET CD2 CAP -0.115000 12.0110 0 12601 BM 9 PET HD2 HP 0.115000 1.0080 0 12602 BM 9 PET CE2 CAP -0.115000 12.0110 0 12603 BM 9 PET HE2 HP 0.115000 1.0080 0 12604 BM 9 PET CZ CAP 0.100000 12.0110 0 12605 BM 9 PET C2 CL 0.630000 12.0110 0 12606 BM 9 PET O21 OBL -0.520000 15.9990 0 12607 BM 9 PET O22 OSL -0.340000 15.9990 0 12608 BM 9 PET C4 CTL2 -0.050000 12.0110 0 12609 BM 9 PET H41 HAL2 0.090000 1.0080 0 12610 BM 9 PET H42 HAL2 0.090000 1.0080 0 12611 BN 1 PET C2 CD 0.750000 12.0110 0 12612 BN 1 PET O21 OB -0.550000 15.9990 0 12613 BN 1 PET O22 OH1 -0.610000 15.9990 0 12614 BN 1 PET CZ CAP -0.030000 12.0110 0 12615 BN 1 PET H22 H 0.440000 1.0080 0 12616 BN 1 PET CD1 CAP -0.115000 12.0110 0 12617 BN 1 PET HD1 HP 0.115000 1.0080 0 12618 BN 1 PET CE1 CAP -0.115000 12.0110 0 12619 BN 1 PET HE1 HP 0.115000 1.0080 0 12620 BN 1 PET CD2 CAP -0.115000 12.0110 0 12621 BN 1 PET HD2 HP 0.115000 1.0080 0 12622 BN 1 PET CE2 CAP -0.115000 12.0110 0 12623 BN 1 PET HE2 HP 0.115000 1.0080 0 12624 BN 1 PET CG CAP 0.100000 12.0110 0 12625 BN 1 PET C1 CL 0.630000 12.0110 0 12626 BN 1 PET O11 OBL -0.520000 15.9990 0 12627 BN 1 PET O12 OSL -0.340000 15.9990 0 12628 BN 1 PET C3 CTL2 -0.050000 12.0110 0 12629 BN 1 PET H31 HAL2 0.090000 1.0080 0 12630 BN 1 PET H32 HAL2 0.090000 1.0080 0 12631 BN 2 PET CD1 CAP -0.115000 12.0110 0 12632 BN 2 PET HD1 HP 0.115000 1.0080 0 12633 BN 2 PET CE1 CAP -0.115000 12.0110 0 12634 BN 2 PET HE1 HP 0.115000 1.0080 0 12635 BN 2 PET CD2 CAP -0.115000 12.0110 0 12636 BN 2 PET HD2 HP 0.115000 1.0080 0 12637 BN 2 PET CE2 CAP -0.115000 12.0110 0 12638 BN 2 PET HE2 HP 0.115000 1.0080 0 12639 BN 2 PET CG CAP 0.100000 12.0110 0 12640 BN 2 PET C1 CL 0.630000 12.0110 0 12641 BN 2 PET O11 OBL -0.520000 15.9990 0 12642 BN 2 PET O12 OSL -0.340000 15.9990 0 12643 BN 2 PET C3 CTL2 -0.050000 12.0110 0 12644 BN 2 PET H31 HAL2 0.090000 1.0080 0 12645 BN 2 PET H32 HAL2 0.090000 1.0080 0 12646 BN 2 PET CZ CAP 0.100000 12.0110 0 12647 BN 2 PET C2 CL 0.630000 12.0110 0 12648 BN 2 PET O21 OBL -0.520000 15.9990 0 12649 BN 2 PET O22 OSL -0.340000 15.9990 0 12650 BN 2 PET C4 CTL2 -0.050000 12.0110 0 12651 BN 2 PET H41 HAL2 0.090000 1.0080 0 12652 BN 2 PET H42 HAL2 0.090000 1.0080 0 12653 BN 3 PET CD1 CAP -0.115000 12.0110 0 12654 BN 3 PET HD1 HP 0.115000 1.0080 0 12655 BN 3 PET CE1 CAP -0.115000 12.0110 0 12656 BN 3 PET HE1 HP 0.115000 1.0080 0 12657 BN 3 PET CD2 CAP -0.115000 12.0110 0 12658 BN 3 PET HD2 HP 0.115000 1.0080 0 12659 BN 3 PET CE2 CAP -0.115000 12.0110 0 12660 BN 3 PET HE2 HP 0.115000 1.0080 0 12661 BN 3 PET CG CAP 0.100000 12.0110 0 12662 BN 3 PET C1 CL 0.630000 12.0110 0 12663 BN 3 PET O11 OBL -0.520000 15.9990 0 12664 BN 3 PET O12 OSL -0.340000 15.9990 0 12665 BN 3 PET C3 CTL2 -0.050000 12.0110 0 12666 BN 3 PET H31 HAL2 0.090000 1.0080 0 12667 BN 3 PET H32 HAL2 0.090000 1.0080 0 12668 BN 3 PET CZ CAP 0.100000 12.0110 0 12669 BN 3 PET C2 CL 0.630000 12.0110 0 12670 BN 3 PET O21 OBL -0.520000 15.9990 0 12671 BN 3 PET O22 OSL -0.340000 15.9990 0 12672 BN 3 PET C4 CTL2 -0.050000 12.0110 0 12673 BN 3 PET H41 HAL2 0.090000 1.0080 0 12674 BN 3 PET H42 HAL2 0.090000 1.0080 0 12675 BN 4 PET CD1 CAP -0.115000 12.0110 0 12676 BN 4 PET HD1 HP 0.115000 1.0080 0 12677 BN 4 PET CE1 CAP -0.115000 12.0110 0 12678 BN 4 PET HE1 HP 0.115000 1.0080 0 12679 BN 4 PET CD2 CAP -0.115000 12.0110 0 12680 BN 4 PET HD2 HP 0.115000 1.0080 0 12681 BN 4 PET CE2 CAP -0.115000 12.0110 0 12682 BN 4 PET HE2 HP 0.115000 1.0080 0 12683 BN 4 PET CG CAP 0.100000 12.0110 0 12684 BN 4 PET C1 CL 0.630000 12.0110 0 12685 BN 4 PET O11 OBL -0.520000 15.9990 0 12686 BN 4 PET O12 OSL -0.340000 15.9990 0 12687 BN 4 PET C3 CTL2 -0.050000 12.0110 0 12688 BN 4 PET H31 HAL2 0.090000 1.0080 0 12689 BN 4 PET H32 HAL2 0.090000 1.0080 0 12690 BN 4 PET CZ CAP 0.100000 12.0110 0 12691 BN 4 PET C2 CL 0.630000 12.0110 0 12692 BN 4 PET O21 OBL -0.520000 15.9990 0 12693 BN 4 PET O22 OSL -0.340000 15.9990 0 12694 BN 4 PET C4 CTL2 -0.050000 12.0110 0 12695 BN 4 PET H41 HAL2 0.090000 1.0080 0 12696 BN 4 PET H42 HAL2 0.090000 1.0080 0 12697 BN 5 PET CD1 CAP -0.115000 12.0110 0 12698 BN 5 PET HD1 HP 0.115000 1.0080 0 12699 BN 5 PET CE1 CAP -0.115000 12.0110 0 12700 BN 5 PET HE1 HP 0.115000 1.0080 0 12701 BN 5 PET CD2 CAP -0.115000 12.0110 0 12702 BN 5 PET HD2 HP 0.115000 1.0080 0 12703 BN 5 PET CE2 CAP -0.115000 12.0110 0 12704 BN 5 PET HE2 HP 0.115000 1.0080 0 12705 BN 5 PET CG CAP 0.100000 12.0110 0 12706 BN 5 PET C1 CL 0.630000 12.0110 0 12707 BN 5 PET O11 OBL -0.520000 15.9990 0 12708 BN 5 PET O12 OSL -0.340000 15.9990 0 12709 BN 5 PET C3 CTL2 -0.050000 12.0110 0 12710 BN 5 PET H31 HAL2 0.090000 1.0080 0 12711 BN 5 PET H32 HAL2 0.090000 1.0080 0 12712 BN 5 PET CZ CAP 0.100000 12.0110 0 12713 BN 5 PET C2 CL 0.630000 12.0110 0 12714 BN 5 PET O21 OBL -0.520000 15.9990 0 12715 BN 5 PET O22 OSL -0.340000 15.9990 0 12716 BN 5 PET C4 CTL2 -0.050000 12.0110 0 12717 BN 5 PET H41 HAL2 0.090000 1.0080 0 12718 BN 5 PET H42 HAL2 0.090000 1.0080 0 12719 BN 6 PET CD1 CAP -0.115000 12.0110 0 12720 BN 6 PET HD1 HP 0.115000 1.0080 0 12721 BN 6 PET CE1 CAP -0.115000 12.0110 0 12722 BN 6 PET HE1 HP 0.115000 1.0080 0 12723 BN 6 PET CD2 CAP -0.115000 12.0110 0 12724 BN 6 PET HD2 HP 0.115000 1.0080 0 12725 BN 6 PET CE2 CAP -0.115000 12.0110 0 12726 BN 6 PET HE2 HP 0.115000 1.0080 0 12727 BN 6 PET CG CAP 0.100000 12.0110 0 12728 BN 6 PET C1 CL 0.630000 12.0110 0 12729 BN 6 PET O11 OBL -0.520000 15.9990 0 12730 BN 6 PET O12 OSL -0.340000 15.9990 0 12731 BN 6 PET C3 CTL2 -0.050000 12.0110 0 12732 BN 6 PET H31 HAL2 0.090000 1.0080 0 12733 BN 6 PET H32 HAL2 0.090000 1.0080 0 12734 BN 6 PET CZ CAP 0.100000 12.0110 0 12735 BN 6 PET C2 CL 0.630000 12.0110 0 12736 BN 6 PET O21 OBL -0.520000 15.9990 0 12737 BN 6 PET O22 OSL -0.340000 15.9990 0 12738 BN 6 PET C4 CTL2 -0.050000 12.0110 0 12739 BN 6 PET H41 HAL2 0.090000 1.0080 0 12740 BN 6 PET H42 HAL2 0.090000 1.0080 0 12741 BN 7 PET CD1 CAP -0.115000 12.0110 0 12742 BN 7 PET HD1 HP 0.115000 1.0080 0 12743 BN 7 PET CE1 CAP -0.115000 12.0110 0 12744 BN 7 PET HE1 HP 0.115000 1.0080 0 12745 BN 7 PET CD2 CAP -0.115000 12.0110 0 12746 BN 7 PET HD2 HP 0.115000 1.0080 0 12747 BN 7 PET CE2 CAP -0.115000 12.0110 0 12748 BN 7 PET HE2 HP 0.115000 1.0080 0 12749 BN 7 PET CG CAP 0.100000 12.0110 0 12750 BN 7 PET C1 CL 0.630000 12.0110 0 12751 BN 7 PET O11 OBL -0.520000 15.9990 0 12752 BN 7 PET O12 OSL -0.340000 15.9990 0 12753 BN 7 PET C3 CTL2 -0.050000 12.0110 0 12754 BN 7 PET H31 HAL2 0.090000 1.0080 0 12755 BN 7 PET H32 HAL2 0.090000 1.0080 0 12756 BN 7 PET CZ CAP 0.100000 12.0110 0 12757 BN 7 PET C2 CL 0.630000 12.0110 0 12758 BN 7 PET O21 OBL -0.520000 15.9990 0 12759 BN 7 PET O22 OSL -0.340000 15.9990 0 12760 BN 7 PET C4 CTL2 -0.050000 12.0110 0 12761 BN 7 PET H41 HAL2 0.090000 1.0080 0 12762 BN 7 PET H42 HAL2 0.090000 1.0080 0 12763 BN 8 PET CD1 CAP -0.115000 12.0110 0 12764 BN 8 PET HD1 HP 0.115000 1.0080 0 12765 BN 8 PET CE1 CAP -0.115000 12.0110 0 12766 BN 8 PET HE1 HP 0.115000 1.0080 0 12767 BN 8 PET CD2 CAP -0.115000 12.0110 0 12768 BN 8 PET HD2 HP 0.115000 1.0080 0 12769 BN 8 PET CE2 CAP -0.115000 12.0110 0 12770 BN 8 PET HE2 HP 0.115000 1.0080 0 12771 BN 8 PET CG CAP 0.100000 12.0110 0 12772 BN 8 PET C1 CL 0.630000 12.0110 0 12773 BN 8 PET O11 OBL -0.520000 15.9990 0 12774 BN 8 PET O12 OSL -0.340000 15.9990 0 12775 BN 8 PET C3 CTL2 -0.050000 12.0110 0 12776 BN 8 PET H31 HAL2 0.090000 1.0080 0 12777 BN 8 PET H32 HAL2 0.090000 1.0080 0 12778 BN 8 PET CZ CAP 0.100000 12.0110 0 12779 BN 8 PET C2 CL 0.630000 12.0110 0 12780 BN 8 PET O21 OBL -0.520000 15.9990 0 12781 BN 8 PET O22 OSL -0.340000 15.9990 0 12782 BN 8 PET C4 CTL2 -0.050000 12.0110 0 12783 BN 8 PET H41 HAL2 0.090000 1.0080 0 12784 BN 8 PET H42 HAL2 0.090000 1.0080 0 12785 BN 9 PET C1 CD 0.750000 12.0110 0 12786 BN 9 PET O11 OB -0.550000 15.9990 0 12787 BN 9 PET O12 OH1 -0.610000 15.9990 0 12788 BN 9 PET CG CAP -0.030000 12.0110 0 12789 BN 9 PET H12 H 0.440000 1.0080 0 12790 BN 9 PET CD1 CAP -0.115000 12.0110 0 12791 BN 9 PET HD1 HP 0.115000 1.0080 0 12792 BN 9 PET CE1 CAP -0.115000 12.0110 0 12793 BN 9 PET HE1 HP 0.115000 1.0080 0 12794 BN 9 PET CD2 CAP -0.115000 12.0110 0 12795 BN 9 PET HD2 HP 0.115000 1.0080 0 12796 BN 9 PET CE2 CAP -0.115000 12.0110 0 12797 BN 9 PET HE2 HP 0.115000 1.0080 0 12798 BN 9 PET CZ CAP 0.100000 12.0110 0 12799 BN 9 PET C2 CL 0.630000 12.0110 0 12800 BN 9 PET O21 OBL -0.520000 15.9990 0 12801 BN 9 PET O22 OSL -0.340000 15.9990 0 12802 BN 9 PET C4 CTL2 -0.050000 12.0110 0 12803 BN 9 PET H41 HAL2 0.090000 1.0080 0 12804 BN 9 PET H42 HAL2 0.090000 1.0080 0 12805 BO 1 PET C2 CD 0.750000 12.0110 0 12806 BO 1 PET O21 OB -0.550000 15.9990 0 12807 BO 1 PET O22 OH1 -0.610000 15.9990 0 12808 BO 1 PET CZ CAP -0.030000 12.0110 0 12809 BO 1 PET H22 H 0.440000 1.0080 0 12810 BO 1 PET CD1 CAP -0.115000 12.0110 0 12811 BO 1 PET HD1 HP 0.115000 1.0080 0 12812 BO 1 PET CE1 CAP -0.115000 12.0110 0 12813 BO 1 PET HE1 HP 0.115000 1.0080 0 12814 BO 1 PET CD2 CAP -0.115000 12.0110 0 12815 BO 1 PET HD2 HP 0.115000 1.0080 0 12816 BO 1 PET CE2 CAP -0.115000 12.0110 0 12817 BO 1 PET HE2 HP 0.115000 1.0080 0 12818 BO 1 PET CG CAP 0.100000 12.0110 0 12819 BO 1 PET C1 CL 0.630000 12.0110 0 12820 BO 1 PET O11 OBL -0.520000 15.9990 0 12821 BO 1 PET O12 OSL -0.340000 15.9990 0 12822 BO 1 PET C3 CTL2 -0.050000 12.0110 0 12823 BO 1 PET H31 HAL2 0.090000 1.0080 0 12824 BO 1 PET H32 HAL2 0.090000 1.0080 0 12825 BO 2 PET CD1 CAP -0.115000 12.0110 0 12826 BO 2 PET HD1 HP 0.115000 1.0080 0 12827 BO 2 PET CE1 CAP -0.115000 12.0110 0 12828 BO 2 PET HE1 HP 0.115000 1.0080 0 12829 BO 2 PET CD2 CAP -0.115000 12.0110 0 12830 BO 2 PET HD2 HP 0.115000 1.0080 0 12831 BO 2 PET CE2 CAP -0.115000 12.0110 0 12832 BO 2 PET HE2 HP 0.115000 1.0080 0 12833 BO 2 PET CG CAP 0.100000 12.0110 0 12834 BO 2 PET C1 CL 0.630000 12.0110 0 12835 BO 2 PET O11 OBL -0.520000 15.9990 0 12836 BO 2 PET O12 OSL -0.340000 15.9990 0 12837 BO 2 PET C3 CTL2 -0.050000 12.0110 0 12838 BO 2 PET H31 HAL2 0.090000 1.0080 0 12839 BO 2 PET H32 HAL2 0.090000 1.0080 0 12840 BO 2 PET CZ CAP 0.100000 12.0110 0 12841 BO 2 PET C2 CL 0.630000 12.0110 0 12842 BO 2 PET O21 OBL -0.520000 15.9990 0 12843 BO 2 PET O22 OSL -0.340000 15.9990 0 12844 BO 2 PET C4 CTL2 -0.050000 12.0110 0 12845 BO 2 PET H41 HAL2 0.090000 1.0080 0 12846 BO 2 PET H42 HAL2 0.090000 1.0080 0 12847 BO 3 PET CD1 CAP -0.115000 12.0110 0 12848 BO 3 PET HD1 HP 0.115000 1.0080 0 12849 BO 3 PET CE1 CAP -0.115000 12.0110 0 12850 BO 3 PET HE1 HP 0.115000 1.0080 0 12851 BO 3 PET CD2 CAP -0.115000 12.0110 0 12852 BO 3 PET HD2 HP 0.115000 1.0080 0 12853 BO 3 PET CE2 CAP -0.115000 12.0110 0 12854 BO 3 PET HE2 HP 0.115000 1.0080 0 12855 BO 3 PET CG CAP 0.100000 12.0110 0 12856 BO 3 PET C1 CL 0.630000 12.0110 0 12857 BO 3 PET O11 OBL -0.520000 15.9990 0 12858 BO 3 PET O12 OSL -0.340000 15.9990 0 12859 BO 3 PET C3 CTL2 -0.050000 12.0110 0 12860 BO 3 PET H31 HAL2 0.090000 1.0080 0 12861 BO 3 PET H32 HAL2 0.090000 1.0080 0 12862 BO 3 PET CZ CAP 0.100000 12.0110 0 12863 BO 3 PET C2 CL 0.630000 12.0110 0 12864 BO 3 PET O21 OBL -0.520000 15.9990 0 12865 BO 3 PET O22 OSL -0.340000 15.9990 0 12866 BO 3 PET C4 CTL2 -0.050000 12.0110 0 12867 BO 3 PET H41 HAL2 0.090000 1.0080 0 12868 BO 3 PET H42 HAL2 0.090000 1.0080 0 12869 BO 4 PET CD1 CAP -0.115000 12.0110 0 12870 BO 4 PET HD1 HP 0.115000 1.0080 0 12871 BO 4 PET CE1 CAP -0.115000 12.0110 0 12872 BO 4 PET HE1 HP 0.115000 1.0080 0 12873 BO 4 PET CD2 CAP -0.115000 12.0110 0 12874 BO 4 PET HD2 HP 0.115000 1.0080 0 12875 BO 4 PET CE2 CAP -0.115000 12.0110 0 12876 BO 4 PET HE2 HP 0.115000 1.0080 0 12877 BO 4 PET CG CAP 0.100000 12.0110 0 12878 BO 4 PET C1 CL 0.630000 12.0110 0 12879 BO 4 PET O11 OBL -0.520000 15.9990 0 12880 BO 4 PET O12 OSL -0.340000 15.9990 0 12881 BO 4 PET C3 CTL2 -0.050000 12.0110 0 12882 BO 4 PET H31 HAL2 0.090000 1.0080 0 12883 BO 4 PET H32 HAL2 0.090000 1.0080 0 12884 BO 4 PET CZ CAP 0.100000 12.0110 0 12885 BO 4 PET C2 CL 0.630000 12.0110 0 12886 BO 4 PET O21 OBL -0.520000 15.9990 0 12887 BO 4 PET O22 OSL -0.340000 15.9990 0 12888 BO 4 PET C4 CTL2 -0.050000 12.0110 0 12889 BO 4 PET H41 HAL2 0.090000 1.0080 0 12890 BO 4 PET H42 HAL2 0.090000 1.0080 0 12891 BO 5 PET CD1 CAP -0.115000 12.0110 0 12892 BO 5 PET HD1 HP 0.115000 1.0080 0 12893 BO 5 PET CE1 CAP -0.115000 12.0110 0 12894 BO 5 PET HE1 HP 0.115000 1.0080 0 12895 BO 5 PET CD2 CAP -0.115000 12.0110 0 12896 BO 5 PET HD2 HP 0.115000 1.0080 0 12897 BO 5 PET CE2 CAP -0.115000 12.0110 0 12898 BO 5 PET HE2 HP 0.115000 1.0080 0 12899 BO 5 PET CG CAP 0.100000 12.0110 0 12900 BO 5 PET C1 CL 0.630000 12.0110 0 12901 BO 5 PET O11 OBL -0.520000 15.9990 0 12902 BO 5 PET O12 OSL -0.340000 15.9990 0 12903 BO 5 PET C3 CTL2 -0.050000 12.0110 0 12904 BO 5 PET H31 HAL2 0.090000 1.0080 0 12905 BO 5 PET H32 HAL2 0.090000 1.0080 0 12906 BO 5 PET CZ CAP 0.100000 12.0110 0 12907 BO 5 PET C2 CL 0.630000 12.0110 0 12908 BO 5 PET O21 OBL -0.520000 15.9990 0 12909 BO 5 PET O22 OSL -0.340000 15.9990 0 12910 BO 5 PET C4 CTL2 -0.050000 12.0110 0 12911 BO 5 PET H41 HAL2 0.090000 1.0080 0 12912 BO 5 PET H42 HAL2 0.090000 1.0080 0 12913 BO 6 PET CD1 CAP -0.115000 12.0110 0 12914 BO 6 PET HD1 HP 0.115000 1.0080 0 12915 BO 6 PET CE1 CAP -0.115000 12.0110 0 12916 BO 6 PET HE1 HP 0.115000 1.0080 0 12917 BO 6 PET CD2 CAP -0.115000 12.0110 0 12918 BO 6 PET HD2 HP 0.115000 1.0080 0 12919 BO 6 PET CE2 CAP -0.115000 12.0110 0 12920 BO 6 PET HE2 HP 0.115000 1.0080 0 12921 BO 6 PET CG CAP 0.100000 12.0110 0 12922 BO 6 PET C1 CL 0.630000 12.0110 0 12923 BO 6 PET O11 OBL -0.520000 15.9990 0 12924 BO 6 PET O12 OSL -0.340000 15.9990 0 12925 BO 6 PET C3 CTL2 -0.050000 12.0110 0 12926 BO 6 PET H31 HAL2 0.090000 1.0080 0 12927 BO 6 PET H32 HAL2 0.090000 1.0080 0 12928 BO 6 PET CZ CAP 0.100000 12.0110 0 12929 BO 6 PET C2 CL 0.630000 12.0110 0 12930 BO 6 PET O21 OBL -0.520000 15.9990 0 12931 BO 6 PET O22 OSL -0.340000 15.9990 0 12932 BO 6 PET C4 CTL2 -0.050000 12.0110 0 12933 BO 6 PET H41 HAL2 0.090000 1.0080 0 12934 BO 6 PET H42 HAL2 0.090000 1.0080 0 12935 BO 7 PET CD1 CAP -0.115000 12.0110 0 12936 BO 7 PET HD1 HP 0.115000 1.0080 0 12937 BO 7 PET CE1 CAP -0.115000 12.0110 0 12938 BO 7 PET HE1 HP 0.115000 1.0080 0 12939 BO 7 PET CD2 CAP -0.115000 12.0110 0 12940 BO 7 PET HD2 HP 0.115000 1.0080 0 12941 BO 7 PET CE2 CAP -0.115000 12.0110 0 12942 BO 7 PET HE2 HP 0.115000 1.0080 0 12943 BO 7 PET CG CAP 0.100000 12.0110 0 12944 BO 7 PET C1 CL 0.630000 12.0110 0 12945 BO 7 PET O11 OBL -0.520000 15.9990 0 12946 BO 7 PET O12 OSL -0.340000 15.9990 0 12947 BO 7 PET C3 CTL2 -0.050000 12.0110 0 12948 BO 7 PET H31 HAL2 0.090000 1.0080 0 12949 BO 7 PET H32 HAL2 0.090000 1.0080 0 12950 BO 7 PET CZ CAP 0.100000 12.0110 0 12951 BO 7 PET C2 CL 0.630000 12.0110 0 12952 BO 7 PET O21 OBL -0.520000 15.9990 0 12953 BO 7 PET O22 OSL -0.340000 15.9990 0 12954 BO 7 PET C4 CTL2 -0.050000 12.0110 0 12955 BO 7 PET H41 HAL2 0.090000 1.0080 0 12956 BO 7 PET H42 HAL2 0.090000 1.0080 0 12957 BO 8 PET CD1 CAP -0.115000 12.0110 0 12958 BO 8 PET HD1 HP 0.115000 1.0080 0 12959 BO 8 PET CE1 CAP -0.115000 12.0110 0 12960 BO 8 PET HE1 HP 0.115000 1.0080 0 12961 BO 8 PET CD2 CAP -0.115000 12.0110 0 12962 BO 8 PET HD2 HP 0.115000 1.0080 0 12963 BO 8 PET CE2 CAP -0.115000 12.0110 0 12964 BO 8 PET HE2 HP 0.115000 1.0080 0 12965 BO 8 PET CG CAP 0.100000 12.0110 0 12966 BO 8 PET C1 CL 0.630000 12.0110 0 12967 BO 8 PET O11 OBL -0.520000 15.9990 0 12968 BO 8 PET O12 OSL -0.340000 15.9990 0 12969 BO 8 PET C3 CTL2 -0.050000 12.0110 0 12970 BO 8 PET H31 HAL2 0.090000 1.0080 0 12971 BO 8 PET H32 HAL2 0.090000 1.0080 0 12972 BO 8 PET CZ CAP 0.100000 12.0110 0 12973 BO 8 PET C2 CL 0.630000 12.0110 0 12974 BO 8 PET O21 OBL -0.520000 15.9990 0 12975 BO 8 PET O22 OSL -0.340000 15.9990 0 12976 BO 8 PET C4 CTL2 -0.050000 12.0110 0 12977 BO 8 PET H41 HAL2 0.090000 1.0080 0 12978 BO 8 PET H42 HAL2 0.090000 1.0080 0 12979 BO 9 PET C1 CD 0.750000 12.0110 0 12980 BO 9 PET O11 OB -0.550000 15.9990 0 12981 BO 9 PET O12 OH1 -0.610000 15.9990 0 12982 BO 9 PET CG CAP -0.030000 12.0110 0 12983 BO 9 PET H12 H 0.440000 1.0080 0 12984 BO 9 PET CD1 CAP -0.115000 12.0110 0 12985 BO 9 PET HD1 HP 0.115000 1.0080 0 12986 BO 9 PET CE1 CAP -0.115000 12.0110 0 12987 BO 9 PET HE1 HP 0.115000 1.0080 0 12988 BO 9 PET CD2 CAP -0.115000 12.0110 0 12989 BO 9 PET HD2 HP 0.115000 1.0080 0 12990 BO 9 PET CE2 CAP -0.115000 12.0110 0 12991 BO 9 PET HE2 HP 0.115000 1.0080 0 12992 BO 9 PET CZ CAP 0.100000 12.0110 0 12993 BO 9 PET C2 CL 0.630000 12.0110 0 12994 BO 9 PET O21 OBL -0.520000 15.9990 0 12995 BO 9 PET O22 OSL -0.340000 15.9990 0 12996 BO 9 PET C4 CTL2 -0.050000 12.0110 0 12997 BO 9 PET H41 HAL2 0.090000 1.0080 0 12998 BO 9 PET H42 HAL2 0.090000 1.0080 0 12999 BP 1 PET C2 CD 0.750000 12.0110 0 13000 BP 1 PET O21 OB -0.550000 15.9990 0 13001 BP 1 PET O22 OH1 -0.610000 15.9990 0 13002 BP 1 PET CZ CAP -0.030000 12.0110 0 13003 BP 1 PET H22 H 0.440000 1.0080 0 13004 BP 1 PET CD1 CAP -0.115000 12.0110 0 13005 BP 1 PET HD1 HP 0.115000 1.0080 0 13006 BP 1 PET CE1 CAP -0.115000 12.0110 0 13007 BP 1 PET HE1 HP 0.115000 1.0080 0 13008 BP 1 PET CD2 CAP -0.115000 12.0110 0 13009 BP 1 PET HD2 HP 0.115000 1.0080 0 13010 BP 1 PET CE2 CAP -0.115000 12.0110 0 13011 BP 1 PET HE2 HP 0.115000 1.0080 0 13012 BP 1 PET CG CAP 0.100000 12.0110 0 13013 BP 1 PET C1 CL 0.630000 12.0110 0 13014 BP 1 PET O11 OBL -0.520000 15.9990 0 13015 BP 1 PET O12 OSL -0.340000 15.9990 0 13016 BP 1 PET C3 CTL2 -0.050000 12.0110 0 13017 BP 1 PET H31 HAL2 0.090000 1.0080 0 13018 BP 1 PET H32 HAL2 0.090000 1.0080 0 13019 BP 2 PET CD1 CAP -0.115000 12.0110 0 13020 BP 2 PET HD1 HP 0.115000 1.0080 0 13021 BP 2 PET CE1 CAP -0.115000 12.0110 0 13022 BP 2 PET HE1 HP 0.115000 1.0080 0 13023 BP 2 PET CD2 CAP -0.115000 12.0110 0 13024 BP 2 PET HD2 HP 0.115000 1.0080 0 13025 BP 2 PET CE2 CAP -0.115000 12.0110 0 13026 BP 2 PET HE2 HP 0.115000 1.0080 0 13027 BP 2 PET CG CAP 0.100000 12.0110 0 13028 BP 2 PET C1 CL 0.630000 12.0110 0 13029 BP 2 PET O11 OBL -0.520000 15.9990 0 13030 BP 2 PET O12 OSL -0.340000 15.9990 0 13031 BP 2 PET C3 CTL2 -0.050000 12.0110 0 13032 BP 2 PET H31 HAL2 0.090000 1.0080 0 13033 BP 2 PET H32 HAL2 0.090000 1.0080 0 13034 BP 2 PET CZ CAP 0.100000 12.0110 0 13035 BP 2 PET C2 CL 0.630000 12.0110 0 13036 BP 2 PET O21 OBL -0.520000 15.9990 0 13037 BP 2 PET O22 OSL -0.340000 15.9990 0 13038 BP 2 PET C4 CTL2 -0.050000 12.0110 0 13039 BP 2 PET H41 HAL2 0.090000 1.0080 0 13040 BP 2 PET H42 HAL2 0.090000 1.0080 0 13041 BP 3 PET CD1 CAP -0.115000 12.0110 0 13042 BP 3 PET HD1 HP 0.115000 1.0080 0 13043 BP 3 PET CE1 CAP -0.115000 12.0110 0 13044 BP 3 PET HE1 HP 0.115000 1.0080 0 13045 BP 3 PET CD2 CAP -0.115000 12.0110 0 13046 BP 3 PET HD2 HP 0.115000 1.0080 0 13047 BP 3 PET CE2 CAP -0.115000 12.0110 0 13048 BP 3 PET HE2 HP 0.115000 1.0080 0 13049 BP 3 PET CG CAP 0.100000 12.0110 0 13050 BP 3 PET C1 CL 0.630000 12.0110 0 13051 BP 3 PET O11 OBL -0.520000 15.9990 0 13052 BP 3 PET O12 OSL -0.340000 15.9990 0 13053 BP 3 PET C3 CTL2 -0.050000 12.0110 0 13054 BP 3 PET H31 HAL2 0.090000 1.0080 0 13055 BP 3 PET H32 HAL2 0.090000 1.0080 0 13056 BP 3 PET CZ CAP 0.100000 12.0110 0 13057 BP 3 PET C2 CL 0.630000 12.0110 0 13058 BP 3 PET O21 OBL -0.520000 15.9990 0 13059 BP 3 PET O22 OSL -0.340000 15.9990 0 13060 BP 3 PET C4 CTL2 -0.050000 12.0110 0 13061 BP 3 PET H41 HAL2 0.090000 1.0080 0 13062 BP 3 PET H42 HAL2 0.090000 1.0080 0 13063 BP 4 PET CD1 CAP -0.115000 12.0110 0 13064 BP 4 PET HD1 HP 0.115000 1.0080 0 13065 BP 4 PET CE1 CAP -0.115000 12.0110 0 13066 BP 4 PET HE1 HP 0.115000 1.0080 0 13067 BP 4 PET CD2 CAP -0.115000 12.0110 0 13068 BP 4 PET HD2 HP 0.115000 1.0080 0 13069 BP 4 PET CE2 CAP -0.115000 12.0110 0 13070 BP 4 PET HE2 HP 0.115000 1.0080 0 13071 BP 4 PET CG CAP 0.100000 12.0110 0 13072 BP 4 PET C1 CL 0.630000 12.0110 0 13073 BP 4 PET O11 OBL -0.520000 15.9990 0 13074 BP 4 PET O12 OSL -0.340000 15.9990 0 13075 BP 4 PET C3 CTL2 -0.050000 12.0110 0 13076 BP 4 PET H31 HAL2 0.090000 1.0080 0 13077 BP 4 PET H32 HAL2 0.090000 1.0080 0 13078 BP 4 PET CZ CAP 0.100000 12.0110 0 13079 BP 4 PET C2 CL 0.630000 12.0110 0 13080 BP 4 PET O21 OBL -0.520000 15.9990 0 13081 BP 4 PET O22 OSL -0.340000 15.9990 0 13082 BP 4 PET C4 CTL2 -0.050000 12.0110 0 13083 BP 4 PET H41 HAL2 0.090000 1.0080 0 13084 BP 4 PET H42 HAL2 0.090000 1.0080 0 13085 BP 5 PET CD1 CAP -0.115000 12.0110 0 13086 BP 5 PET HD1 HP 0.115000 1.0080 0 13087 BP 5 PET CE1 CAP -0.115000 12.0110 0 13088 BP 5 PET HE1 HP 0.115000 1.0080 0 13089 BP 5 PET CD2 CAP -0.115000 12.0110 0 13090 BP 5 PET HD2 HP 0.115000 1.0080 0 13091 BP 5 PET CE2 CAP -0.115000 12.0110 0 13092 BP 5 PET HE2 HP 0.115000 1.0080 0 13093 BP 5 PET CG CAP 0.100000 12.0110 0 13094 BP 5 PET C1 CL 0.630000 12.0110 0 13095 BP 5 PET O11 OBL -0.520000 15.9990 0 13096 BP 5 PET O12 OSL -0.340000 15.9990 0 13097 BP 5 PET C3 CTL2 -0.050000 12.0110 0 13098 BP 5 PET H31 HAL2 0.090000 1.0080 0 13099 BP 5 PET H32 HAL2 0.090000 1.0080 0 13100 BP 5 PET CZ CAP 0.100000 12.0110 0 13101 BP 5 PET C2 CL 0.630000 12.0110 0 13102 BP 5 PET O21 OBL -0.520000 15.9990 0 13103 BP 5 PET O22 OSL -0.340000 15.9990 0 13104 BP 5 PET C4 CTL2 -0.050000 12.0110 0 13105 BP 5 PET H41 HAL2 0.090000 1.0080 0 13106 BP 5 PET H42 HAL2 0.090000 1.0080 0 13107 BP 6 PET CD1 CAP -0.115000 12.0110 0 13108 BP 6 PET HD1 HP 0.115000 1.0080 0 13109 BP 6 PET CE1 CAP -0.115000 12.0110 0 13110 BP 6 PET HE1 HP 0.115000 1.0080 0 13111 BP 6 PET CD2 CAP -0.115000 12.0110 0 13112 BP 6 PET HD2 HP 0.115000 1.0080 0 13113 BP 6 PET CE2 CAP -0.115000 12.0110 0 13114 BP 6 PET HE2 HP 0.115000 1.0080 0 13115 BP 6 PET CG CAP 0.100000 12.0110 0 13116 BP 6 PET C1 CL 0.630000 12.0110 0 13117 BP 6 PET O11 OBL -0.520000 15.9990 0 13118 BP 6 PET O12 OSL -0.340000 15.9990 0 13119 BP 6 PET C3 CTL2 -0.050000 12.0110 0 13120 BP 6 PET H31 HAL2 0.090000 1.0080 0 13121 BP 6 PET H32 HAL2 0.090000 1.0080 0 13122 BP 6 PET CZ CAP 0.100000 12.0110 0 13123 BP 6 PET C2 CL 0.630000 12.0110 0 13124 BP 6 PET O21 OBL -0.520000 15.9990 0 13125 BP 6 PET O22 OSL -0.340000 15.9990 0 13126 BP 6 PET C4 CTL2 -0.050000 12.0110 0 13127 BP 6 PET H41 HAL2 0.090000 1.0080 0 13128 BP 6 PET H42 HAL2 0.090000 1.0080 0 13129 BP 7 PET CD1 CAP -0.115000 12.0110 0 13130 BP 7 PET HD1 HP 0.115000 1.0080 0 13131 BP 7 PET CE1 CAP -0.115000 12.0110 0 13132 BP 7 PET HE1 HP 0.115000 1.0080 0 13133 BP 7 PET CD2 CAP -0.115000 12.0110 0 13134 BP 7 PET HD2 HP 0.115000 1.0080 0 13135 BP 7 PET CE2 CAP -0.115000 12.0110 0 13136 BP 7 PET HE2 HP 0.115000 1.0080 0 13137 BP 7 PET CG CAP 0.100000 12.0110 0 13138 BP 7 PET C1 CL 0.630000 12.0110 0 13139 BP 7 PET O11 OBL -0.520000 15.9990 0 13140 BP 7 PET O12 OSL -0.340000 15.9990 0 13141 BP 7 PET C3 CTL2 -0.050000 12.0110 0 13142 BP 7 PET H31 HAL2 0.090000 1.0080 0 13143 BP 7 PET H32 HAL2 0.090000 1.0080 0 13144 BP 7 PET CZ CAP 0.100000 12.0110 0 13145 BP 7 PET C2 CL 0.630000 12.0110 0 13146 BP 7 PET O21 OBL -0.520000 15.9990 0 13147 BP 7 PET O22 OSL -0.340000 15.9990 0 13148 BP 7 PET C4 CTL2 -0.050000 12.0110 0 13149 BP 7 PET H41 HAL2 0.090000 1.0080 0 13150 BP 7 PET H42 HAL2 0.090000 1.0080 0 13151 BP 8 PET CD1 CAP -0.115000 12.0110 0 13152 BP 8 PET HD1 HP 0.115000 1.0080 0 13153 BP 8 PET CE1 CAP -0.115000 12.0110 0 13154 BP 8 PET HE1 HP 0.115000 1.0080 0 13155 BP 8 PET CD2 CAP -0.115000 12.0110 0 13156 BP 8 PET HD2 HP 0.115000 1.0080 0 13157 BP 8 PET CE2 CAP -0.115000 12.0110 0 13158 BP 8 PET HE2 HP 0.115000 1.0080 0 13159 BP 8 PET CG CAP 0.100000 12.0110 0 13160 BP 8 PET C1 CL 0.630000 12.0110 0 13161 BP 8 PET O11 OBL -0.520000 15.9990 0 13162 BP 8 PET O12 OSL -0.340000 15.9990 0 13163 BP 8 PET C3 CTL2 -0.050000 12.0110 0 13164 BP 8 PET H31 HAL2 0.090000 1.0080 0 13165 BP 8 PET H32 HAL2 0.090000 1.0080 0 13166 BP 8 PET CZ CAP 0.100000 12.0110 0 13167 BP 8 PET C2 CL 0.630000 12.0110 0 13168 BP 8 PET O21 OBL -0.520000 15.9990 0 13169 BP 8 PET O22 OSL -0.340000 15.9990 0 13170 BP 8 PET C4 CTL2 -0.050000 12.0110 0 13171 BP 8 PET H41 HAL2 0.090000 1.0080 0 13172 BP 8 PET H42 HAL2 0.090000 1.0080 0 13173 BP 9 PET C1 CD 0.750000 12.0110 0 13174 BP 9 PET O11 OB -0.550000 15.9990 0 13175 BP 9 PET O12 OH1 -0.610000 15.9990 0 13176 BP 9 PET CG CAP -0.030000 12.0110 0 13177 BP 9 PET H12 H 0.440000 1.0080 0 13178 BP 9 PET CD1 CAP -0.115000 12.0110 0 13179 BP 9 PET HD1 HP 0.115000 1.0080 0 13180 BP 9 PET CE1 CAP -0.115000 12.0110 0 13181 BP 9 PET HE1 HP 0.115000 1.0080 0 13182 BP 9 PET CD2 CAP -0.115000 12.0110 0 13183 BP 9 PET HD2 HP 0.115000 1.0080 0 13184 BP 9 PET CE2 CAP -0.115000 12.0110 0 13185 BP 9 PET HE2 HP 0.115000 1.0080 0 13186 BP 9 PET CZ CAP 0.100000 12.0110 0 13187 BP 9 PET C2 CL 0.630000 12.0110 0 13188 BP 9 PET O21 OBL -0.520000 15.9990 0 13189 BP 9 PET O22 OSL -0.340000 15.9990 0 13190 BP 9 PET C4 CTL2 -0.050000 12.0110 0 13191 BP 9 PET H41 HAL2 0.090000 1.0080 0 13192 BP 9 PET H42 HAL2 0.090000 1.0080 0 13193 BQ 1 PET C2 CD 0.750000 12.0110 0 13194 BQ 1 PET O21 OB -0.550000 15.9990 0 13195 BQ 1 PET O22 OH1 -0.610000 15.9990 0 13196 BQ 1 PET CZ CAP -0.030000 12.0110 0 13197 BQ 1 PET H22 H 0.440000 1.0080 0 13198 BQ 1 PET CD1 CAP -0.115000 12.0110 0 13199 BQ 1 PET HD1 HP 0.115000 1.0080 0 13200 BQ 1 PET CE1 CAP -0.115000 12.0110 0 13201 BQ 1 PET HE1 HP 0.115000 1.0080 0 13202 BQ 1 PET CD2 CAP -0.115000 12.0110 0 13203 BQ 1 PET HD2 HP 0.115000 1.0080 0 13204 BQ 1 PET CE2 CAP -0.115000 12.0110 0 13205 BQ 1 PET HE2 HP 0.115000 1.0080 0 13206 BQ 1 PET CG CAP 0.100000 12.0110 0 13207 BQ 1 PET C1 CL 0.630000 12.0110 0 13208 BQ 1 PET O11 OBL -0.520000 15.9990 0 13209 BQ 1 PET O12 OSL -0.340000 15.9990 0 13210 BQ 1 PET C3 CTL2 -0.050000 12.0110 0 13211 BQ 1 PET H31 HAL2 0.090000 1.0080 0 13212 BQ 1 PET H32 HAL2 0.090000 1.0080 0 13213 BQ 2 PET CD1 CAP -0.115000 12.0110 0 13214 BQ 2 PET HD1 HP 0.115000 1.0080 0 13215 BQ 2 PET CE1 CAP -0.115000 12.0110 0 13216 BQ 2 PET HE1 HP 0.115000 1.0080 0 13217 BQ 2 PET CD2 CAP -0.115000 12.0110 0 13218 BQ 2 PET HD2 HP 0.115000 1.0080 0 13219 BQ 2 PET CE2 CAP -0.115000 12.0110 0 13220 BQ 2 PET HE2 HP 0.115000 1.0080 0 13221 BQ 2 PET CG CAP 0.100000 12.0110 0 13222 BQ 2 PET C1 CL 0.630000 12.0110 0 13223 BQ 2 PET O11 OBL -0.520000 15.9990 0 13224 BQ 2 PET O12 OSL -0.340000 15.9990 0 13225 BQ 2 PET C3 CTL2 -0.050000 12.0110 0 13226 BQ 2 PET H31 HAL2 0.090000 1.0080 0 13227 BQ 2 PET H32 HAL2 0.090000 1.0080 0 13228 BQ 2 PET CZ CAP 0.100000 12.0110 0 13229 BQ 2 PET C2 CL 0.630000 12.0110 0 13230 BQ 2 PET O21 OBL -0.520000 15.9990 0 13231 BQ 2 PET O22 OSL -0.340000 15.9990 0 13232 BQ 2 PET C4 CTL2 -0.050000 12.0110 0 13233 BQ 2 PET H41 HAL2 0.090000 1.0080 0 13234 BQ 2 PET H42 HAL2 0.090000 1.0080 0 13235 BQ 3 PET CD1 CAP -0.115000 12.0110 0 13236 BQ 3 PET HD1 HP 0.115000 1.0080 0 13237 BQ 3 PET CE1 CAP -0.115000 12.0110 0 13238 BQ 3 PET HE1 HP 0.115000 1.0080 0 13239 BQ 3 PET CD2 CAP -0.115000 12.0110 0 13240 BQ 3 PET HD2 HP 0.115000 1.0080 0 13241 BQ 3 PET CE2 CAP -0.115000 12.0110 0 13242 BQ 3 PET HE2 HP 0.115000 1.0080 0 13243 BQ 3 PET CG CAP 0.100000 12.0110 0 13244 BQ 3 PET C1 CL 0.630000 12.0110 0 13245 BQ 3 PET O11 OBL -0.520000 15.9990 0 13246 BQ 3 PET O12 OSL -0.340000 15.9990 0 13247 BQ 3 PET C3 CTL2 -0.050000 12.0110 0 13248 BQ 3 PET H31 HAL2 0.090000 1.0080 0 13249 BQ 3 PET H32 HAL2 0.090000 1.0080 0 13250 BQ 3 PET CZ CAP 0.100000 12.0110 0 13251 BQ 3 PET C2 CL 0.630000 12.0110 0 13252 BQ 3 PET O21 OBL -0.520000 15.9990 0 13253 BQ 3 PET O22 OSL -0.340000 15.9990 0 13254 BQ 3 PET C4 CTL2 -0.050000 12.0110 0 13255 BQ 3 PET H41 HAL2 0.090000 1.0080 0 13256 BQ 3 PET H42 HAL2 0.090000 1.0080 0 13257 BQ 4 PET CD1 CAP -0.115000 12.0110 0 13258 BQ 4 PET HD1 HP 0.115000 1.0080 0 13259 BQ 4 PET CE1 CAP -0.115000 12.0110 0 13260 BQ 4 PET HE1 HP 0.115000 1.0080 0 13261 BQ 4 PET CD2 CAP -0.115000 12.0110 0 13262 BQ 4 PET HD2 HP 0.115000 1.0080 0 13263 BQ 4 PET CE2 CAP -0.115000 12.0110 0 13264 BQ 4 PET HE2 HP 0.115000 1.0080 0 13265 BQ 4 PET CG CAP 0.100000 12.0110 0 13266 BQ 4 PET C1 CL 0.630000 12.0110 0 13267 BQ 4 PET O11 OBL -0.520000 15.9990 0 13268 BQ 4 PET O12 OSL -0.340000 15.9990 0 13269 BQ 4 PET C3 CTL2 -0.050000 12.0110 0 13270 BQ 4 PET H31 HAL2 0.090000 1.0080 0 13271 BQ 4 PET H32 HAL2 0.090000 1.0080 0 13272 BQ 4 PET CZ CAP 0.100000 12.0110 0 13273 BQ 4 PET C2 CL 0.630000 12.0110 0 13274 BQ 4 PET O21 OBL -0.520000 15.9990 0 13275 BQ 4 PET O22 OSL -0.340000 15.9990 0 13276 BQ 4 PET C4 CTL2 -0.050000 12.0110 0 13277 BQ 4 PET H41 HAL2 0.090000 1.0080 0 13278 BQ 4 PET H42 HAL2 0.090000 1.0080 0 13279 BQ 5 PET CD1 CAP -0.115000 12.0110 0 13280 BQ 5 PET HD1 HP 0.115000 1.0080 0 13281 BQ 5 PET CE1 CAP -0.115000 12.0110 0 13282 BQ 5 PET HE1 HP 0.115000 1.0080 0 13283 BQ 5 PET CD2 CAP -0.115000 12.0110 0 13284 BQ 5 PET HD2 HP 0.115000 1.0080 0 13285 BQ 5 PET CE2 CAP -0.115000 12.0110 0 13286 BQ 5 PET HE2 HP 0.115000 1.0080 0 13287 BQ 5 PET CG CAP 0.100000 12.0110 0 13288 BQ 5 PET C1 CL 0.630000 12.0110 0 13289 BQ 5 PET O11 OBL -0.520000 15.9990 0 13290 BQ 5 PET O12 OSL -0.340000 15.9990 0 13291 BQ 5 PET C3 CTL2 -0.050000 12.0110 0 13292 BQ 5 PET H31 HAL2 0.090000 1.0080 0 13293 BQ 5 PET H32 HAL2 0.090000 1.0080 0 13294 BQ 5 PET CZ CAP 0.100000 12.0110 0 13295 BQ 5 PET C2 CL 0.630000 12.0110 0 13296 BQ 5 PET O21 OBL -0.520000 15.9990 0 13297 BQ 5 PET O22 OSL -0.340000 15.9990 0 13298 BQ 5 PET C4 CTL2 -0.050000 12.0110 0 13299 BQ 5 PET H41 HAL2 0.090000 1.0080 0 13300 BQ 5 PET H42 HAL2 0.090000 1.0080 0 13301 BQ 6 PET CD1 CAP -0.115000 12.0110 0 13302 BQ 6 PET HD1 HP 0.115000 1.0080 0 13303 BQ 6 PET CE1 CAP -0.115000 12.0110 0 13304 BQ 6 PET HE1 HP 0.115000 1.0080 0 13305 BQ 6 PET CD2 CAP -0.115000 12.0110 0 13306 BQ 6 PET HD2 HP 0.115000 1.0080 0 13307 BQ 6 PET CE2 CAP -0.115000 12.0110 0 13308 BQ 6 PET HE2 HP 0.115000 1.0080 0 13309 BQ 6 PET CG CAP 0.100000 12.0110 0 13310 BQ 6 PET C1 CL 0.630000 12.0110 0 13311 BQ 6 PET O11 OBL -0.520000 15.9990 0 13312 BQ 6 PET O12 OSL -0.340000 15.9990 0 13313 BQ 6 PET C3 CTL2 -0.050000 12.0110 0 13314 BQ 6 PET H31 HAL2 0.090000 1.0080 0 13315 BQ 6 PET H32 HAL2 0.090000 1.0080 0 13316 BQ 6 PET CZ CAP 0.100000 12.0110 0 13317 BQ 6 PET C2 CL 0.630000 12.0110 0 13318 BQ 6 PET O21 OBL -0.520000 15.9990 0 13319 BQ 6 PET O22 OSL -0.340000 15.9990 0 13320 BQ 6 PET C4 CTL2 -0.050000 12.0110 0 13321 BQ 6 PET H41 HAL2 0.090000 1.0080 0 13322 BQ 6 PET H42 HAL2 0.090000 1.0080 0 13323 BQ 7 PET CD1 CAP -0.115000 12.0110 0 13324 BQ 7 PET HD1 HP 0.115000 1.0080 0 13325 BQ 7 PET CE1 CAP -0.115000 12.0110 0 13326 BQ 7 PET HE1 HP 0.115000 1.0080 0 13327 BQ 7 PET CD2 CAP -0.115000 12.0110 0 13328 BQ 7 PET HD2 HP 0.115000 1.0080 0 13329 BQ 7 PET CE2 CAP -0.115000 12.0110 0 13330 BQ 7 PET HE2 HP 0.115000 1.0080 0 13331 BQ 7 PET CG CAP 0.100000 12.0110 0 13332 BQ 7 PET C1 CL 0.630000 12.0110 0 13333 BQ 7 PET O11 OBL -0.520000 15.9990 0 13334 BQ 7 PET O12 OSL -0.340000 15.9990 0 13335 BQ 7 PET C3 CTL2 -0.050000 12.0110 0 13336 BQ 7 PET H31 HAL2 0.090000 1.0080 0 13337 BQ 7 PET H32 HAL2 0.090000 1.0080 0 13338 BQ 7 PET CZ CAP 0.100000 12.0110 0 13339 BQ 7 PET C2 CL 0.630000 12.0110 0 13340 BQ 7 PET O21 OBL -0.520000 15.9990 0 13341 BQ 7 PET O22 OSL -0.340000 15.9990 0 13342 BQ 7 PET C4 CTL2 -0.050000 12.0110 0 13343 BQ 7 PET H41 HAL2 0.090000 1.0080 0 13344 BQ 7 PET H42 HAL2 0.090000 1.0080 0 13345 BQ 8 PET CD1 CAP -0.115000 12.0110 0 13346 BQ 8 PET HD1 HP 0.115000 1.0080 0 13347 BQ 8 PET CE1 CAP -0.115000 12.0110 0 13348 BQ 8 PET HE1 HP 0.115000 1.0080 0 13349 BQ 8 PET CD2 CAP -0.115000 12.0110 0 13350 BQ 8 PET HD2 HP 0.115000 1.0080 0 13351 BQ 8 PET CE2 CAP -0.115000 12.0110 0 13352 BQ 8 PET HE2 HP 0.115000 1.0080 0 13353 BQ 8 PET CG CAP 0.100000 12.0110 0 13354 BQ 8 PET C1 CL 0.630000 12.0110 0 13355 BQ 8 PET O11 OBL -0.520000 15.9990 0 13356 BQ 8 PET O12 OSL -0.340000 15.9990 0 13357 BQ 8 PET C3 CTL2 -0.050000 12.0110 0 13358 BQ 8 PET H31 HAL2 0.090000 1.0080 0 13359 BQ 8 PET H32 HAL2 0.090000 1.0080 0 13360 BQ 8 PET CZ CAP 0.100000 12.0110 0 13361 BQ 8 PET C2 CL 0.630000 12.0110 0 13362 BQ 8 PET O21 OBL -0.520000 15.9990 0 13363 BQ 8 PET O22 OSL -0.340000 15.9990 0 13364 BQ 8 PET C4 CTL2 -0.050000 12.0110 0 13365 BQ 8 PET H41 HAL2 0.090000 1.0080 0 13366 BQ 8 PET H42 HAL2 0.090000 1.0080 0 13367 BQ 9 PET C1 CD 0.750000 12.0110 0 13368 BQ 9 PET O11 OB -0.550000 15.9990 0 13369 BQ 9 PET O12 OH1 -0.610000 15.9990 0 13370 BQ 9 PET CG CAP -0.030000 12.0110 0 13371 BQ 9 PET H12 H 0.440000 1.0080 0 13372 BQ 9 PET CD1 CAP -0.115000 12.0110 0 13373 BQ 9 PET HD1 HP 0.115000 1.0080 0 13374 BQ 9 PET CE1 CAP -0.115000 12.0110 0 13375 BQ 9 PET HE1 HP 0.115000 1.0080 0 13376 BQ 9 PET CD2 CAP -0.115000 12.0110 0 13377 BQ 9 PET HD2 HP 0.115000 1.0080 0 13378 BQ 9 PET CE2 CAP -0.115000 12.0110 0 13379 BQ 9 PET HE2 HP 0.115000 1.0080 0 13380 BQ 9 PET CZ CAP 0.100000 12.0110 0 13381 BQ 9 PET C2 CL 0.630000 12.0110 0 13382 BQ 9 PET O21 OBL -0.520000 15.9990 0 13383 BQ 9 PET O22 OSL -0.340000 15.9990 0 13384 BQ 9 PET C4 CTL2 -0.050000 12.0110 0 13385 BQ 9 PET H41 HAL2 0.090000 1.0080 0 13386 BQ 9 PET H42 HAL2 0.090000 1.0080 0 13387 BR 1 PET C2 CD 0.750000 12.0110 0 13388 BR 1 PET O21 OB -0.550000 15.9990 0 13389 BR 1 PET O22 OH1 -0.610000 15.9990 0 13390 BR 1 PET CZ CAP -0.030000 12.0110 0 13391 BR 1 PET H22 H 0.440000 1.0080 0 13392 BR 1 PET CD1 CAP -0.115000 12.0110 0 13393 BR 1 PET HD1 HP 0.115000 1.0080 0 13394 BR 1 PET CE1 CAP -0.115000 12.0110 0 13395 BR 1 PET HE1 HP 0.115000 1.0080 0 13396 BR 1 PET CD2 CAP -0.115000 12.0110 0 13397 BR 1 PET HD2 HP 0.115000 1.0080 0 13398 BR 1 PET CE2 CAP -0.115000 12.0110 0 13399 BR 1 PET HE2 HP 0.115000 1.0080 0 13400 BR 1 PET CG CAP 0.100000 12.0110 0 13401 BR 1 PET C1 CL 0.630000 12.0110 0 13402 BR 1 PET O11 OBL -0.520000 15.9990 0 13403 BR 1 PET O12 OSL -0.340000 15.9990 0 13404 BR 1 PET C3 CTL2 -0.050000 12.0110 0 13405 BR 1 PET H31 HAL2 0.090000 1.0080 0 13406 BR 1 PET H32 HAL2 0.090000 1.0080 0 13407 BR 2 PET CD1 CAP -0.115000 12.0110 0 13408 BR 2 PET HD1 HP 0.115000 1.0080 0 13409 BR 2 PET CE1 CAP -0.115000 12.0110 0 13410 BR 2 PET HE1 HP 0.115000 1.0080 0 13411 BR 2 PET CD2 CAP -0.115000 12.0110 0 13412 BR 2 PET HD2 HP 0.115000 1.0080 0 13413 BR 2 PET CE2 CAP -0.115000 12.0110 0 13414 BR 2 PET HE2 HP 0.115000 1.0080 0 13415 BR 2 PET CG CAP 0.100000 12.0110 0 13416 BR 2 PET C1 CL 0.630000 12.0110 0 13417 BR 2 PET O11 OBL -0.520000 15.9990 0 13418 BR 2 PET O12 OSL -0.340000 15.9990 0 13419 BR 2 PET C3 CTL2 -0.050000 12.0110 0 13420 BR 2 PET H31 HAL2 0.090000 1.0080 0 13421 BR 2 PET H32 HAL2 0.090000 1.0080 0 13422 BR 2 PET CZ CAP 0.100000 12.0110 0 13423 BR 2 PET C2 CL 0.630000 12.0110 0 13424 BR 2 PET O21 OBL -0.520000 15.9990 0 13425 BR 2 PET O22 OSL -0.340000 15.9990 0 13426 BR 2 PET C4 CTL2 -0.050000 12.0110 0 13427 BR 2 PET H41 HAL2 0.090000 1.0080 0 13428 BR 2 PET H42 HAL2 0.090000 1.0080 0 13429 BR 3 PET CD1 CAP -0.115000 12.0110 0 13430 BR 3 PET HD1 HP 0.115000 1.0080 0 13431 BR 3 PET CE1 CAP -0.115000 12.0110 0 13432 BR 3 PET HE1 HP 0.115000 1.0080 0 13433 BR 3 PET CD2 CAP -0.115000 12.0110 0 13434 BR 3 PET HD2 HP 0.115000 1.0080 0 13435 BR 3 PET CE2 CAP -0.115000 12.0110 0 13436 BR 3 PET HE2 HP 0.115000 1.0080 0 13437 BR 3 PET CG CAP 0.100000 12.0110 0 1