@MOLECULE FDBD02230 41 42 0 0 0 SMALL USER_CHARGES @ATOM 1 C 3.9501 3.1352 1.0268 C.2 1 UNK -0.0982 2 C1 3.6539 2.2053 0.1529 C.2 1 UNK -0.0626 3 C2 2.8167 2.5442 -1.0534 C.3 1 UNK -0.0426 4 C3 4.1503 0.7967 0.3540 C.3 1 UNK 0.0351 5 N 3.1156 0.0051 1.0328 N.pl3 1 UNK -0.2846 6 C4 3.5331 -1.3106 1.2146 C.ar 1 UNK 0.3201 7 C5 4.0513 -1.8359 2.3548 C.ar 1 UNK 0.1760 8 C6 4.3395 -3.1953 2.1109 C.ar 1 UNK 0.1969 9 C7 4.8994 -4.1179 3.0522 C.1 1 UNK 0.1239 10 N1 5.3436 -4.8497 3.7989 N.1 1 UNK -0.1891 11 N2 4.0030 -3.4688 0.8646 N.ar 1 UNK -0.1443 12 N3 3.4894 -2.3031 0.2823 N.ar 1 UNK -0.0508 13 C8 3.0203 -2.1775 -1.0323 C.ar 1 UNK 0.2760 14 C9 3.9163 -1.9788 -2.0754 C.ar 1 UNK 0.1168 15 C10 3.4501 -1.8558 -3.3709 C.ar 1 UNK -0.0252 16 C11 2.0937 -1.9298 -3.6293 C.ar 1 UNK 0.0580 17 C12 1.1990 -2.1274 -2.5937 C.ar 1 UNK -0.0252 18 C13 1.6585 -2.2570 -1.2964 C.ar 1 UNK 0.1168 19 Cl 0.5344 -2.5050 0.0031 Cl 1 UNK -0.0766 20 C14 1.5892 -1.7942 -5.0428 C.3 1 UNK 0.4175 21 F 1.5350 -3.0574 -5.6418 F 1 UNK -0.1659 22 F1 0.3094 -1.2294 -5.0291 F 1 UNK -0.1659 23 F2 2.4549 -0.9701 -5.7699 F 1 UNK -0.1659 24 Cl1 5.6194 -1.8847 -1.7521 Cl 1 UNK -0.0766 25 S 4.3167 -0.9735 3.8682 S.O 1 UNK 0.1680 26 O 4.4210 0.3807 3.4504 O.2 1 UNK -0.2432 27 C15 2.7525 -1.2140 4.7547 C.3 1 UNK 0.4769 28 F3 2.5310 -2.5820 4.9470 F 1 UNK -0.1582 29 F4 2.8169 -0.5730 5.9965 F 1 UNK -0.1582 30 F5 1.7032 -0.6727 4.0043 F 1 UNK -0.1582 31 H 3.6102 4.0998 0.8891 H 1 UNK 0.0535 32 H1 4.5234 2.9031 1.8529 H 1 UNK 0.0535 33 H2 2.5584 3.5823 -1.0281 H 1 UNK 0.0275 34 H3 1.9241 1.9543 -1.0452 H 1 UNK 0.0275 35 H4 3.3732 2.3367 -1.9435 H 1 UNK 0.0275 36 H5 5.0370 0.8131 0.9527 H 1 UNK 0.0509 37 H6 4.3698 0.3568 -0.5964 H 1 UNK 0.0509 38 H7 2.2429 0.3581 1.3209 H 1 UNK 0.1519 39 H8 4.0969 -4.3423 0.4203 H 1 UNK 0.2380 40 H9 4.1152 -1.7086 -4.1462 H 1 UNK 0.0640 41 H10 0.1870 -2.1782 -2.7895 H 1 UNK 0.0640 @BOND 1 1 2 2 2 2 3 1 3 2 4 1 4 4 5 1 5 5 6 1 6 6 12 ar 7 6 7 ar 8 7 8 ar 9 7 25 1 10 8 9 1 11 8 11 ar 12 9 10 3 13 11 12 ar 14 12 13 1 15 13 18 ar 16 13 14 ar 17 14 15 ar 18 14 24 1 19 15 16 ar 20 16 17 ar 21 16 20 1 22 17 18 ar 23 18 19 1 24 20 21 1 25 20 22 1 26 20 23 1 27 25 26 2 28 25 27 1 29 27 28 1 30 27 29 1 31 27 30 1 32 1 31 1 33 1 32 1 34 3 33 1 35 3 34 1 36 3 35 1 37 4 36 1 38 4 37 1 39 5 38 1 40 11 39 1 41 15 40 1 42 17 41 1