@MOLECULE FDBD02963 39 41 0 0 0 SMALL USER_CHARGES @ATOM 1 C -0.0184 1.5028 0.0103 C.3 1 UNK 0.0239 2 C1 0.0021 -0.0041 0.0020 C.2 1 UNK 0.2241 3 C2 0.0079 -0.7690 -1.1012 C.2 1 UNK 0.0995 4 C3 0.0296 -2.1648 -0.6547 C.ar 1 UNK 0.0683 5 C4 0.0440 -3.3943 -1.3165 C.ar 1 UNK -0.0443 6 C5 0.0636 -4.5537 -0.5945 C.ar 1 UNK -0.0254 7 C6 0.0689 -4.5196 0.7955 C.ar 1 UNK 0.1297 8 C7 0.0549 -3.3156 1.4685 C.ar 1 UNK 0.0475 9 C8 0.0354 -2.1236 0.7512 C.ar 1 UNK 0.2467 10 N 0.0235 -0.7969 1.1193 N.pl3 1 UNK 0.0297 11 S 0.0313 -0.2422 2.6796 S.O2 1 UNK 0.3741 12 O -0.5285 1.0634 2.6442 O.2 1 UNK -0.0709 13 O1 -0.4938 -1.2916 3.4811 O.2 1 UNK -0.0709 14 C9 1.7166 -0.0482 3.1557 C.cat 1 UNK 0.6535 15 N1 2.4739 -0.9864 3.7228 N.2 1 UNK 0.0576 16 C10 3.6731 -0.5136 3.9464 C.2 1 UNK 0.3675 17 N2 3.7058 0.7602 3.5182 N.pl3 1 UNK 0.1745 18 N3 2.4283 1.0377 3.0048 N.2 1 UNK 0.2766 19 S1 4.9976 1.7947 3.5781 S.O2 1 UNK 0.2662 20 O2 4.8309 2.5771 4.7526 O.2 1 UNK -0.0961 21 O3 6.1537 1.0079 3.3260 O.2 1 UNK -0.0961 22 N4 4.8519 2.8355 2.2984 N.3 1 UNK -0.1310 23 C11 4.1161 4.0923 2.4564 C.3 1 UNK 0.0138 24 C12 5.4590 2.4993 1.0081 C.3 1 UNK 0.0138 25 F 0.0874 -5.6762 1.4933 F 1 UNK -0.2053 26 Br -0.0094 -0.1609 -2.8917 Br 1 UNK -0.0430 27 H -0.0189 1.8539 1.0210 H 1 UNK 0.0337 28 H1 -0.8990 1.8503 -0.4885 H 1 UNK 0.0337 29 H2 0.8482 1.8741 -0.4958 H 1 UNK 0.0337 30 H3 0.0398 -3.4269 -2.3480 H 1 UNK 0.0627 31 H4 0.0746 -5.4619 -1.0845 H 1 UNK 0.0646 32 H5 0.0589 -3.2990 2.5004 H 1 UNK 0.0713 33 H6 4.4571 -1.0287 4.3765 H 1 UNK 0.1704 34 H7 3.7468 4.1659 3.4580 H 1 UNK 0.0410 35 H8 3.2947 4.1133 1.7710 H 1 UNK 0.0410 36 H9 4.7693 4.9157 2.2557 H 1 UNK 0.0410 37 H10 5.9505 1.5517 1.0813 H 1 UNK 0.0410 38 H11 6.1722 3.2515 0.7427 H 1 UNK 0.0410 39 H12 4.6976 2.4492 0.2580 H 1 UNK 0.0410 @BOND 1 1 2 1 2 2 10 1 3 2 3 2 4 3 4 1 5 3 26 1 6 4 9 ar 7 4 5 ar 8 5 6 ar 9 6 7 ar 10 7 8 ar 11 7 25 1 12 8 9 ar 13 9 10 1 14 10 11 1 15 11 12 2 16 11 13 2 17 11 14 1 18 14 18 2 19 14 15 1 20 15 16 2 21 16 17 1 22 17 18 1 23 17 19 1 24 19 20 2 25 19 21 2 26 19 22 1 27 22 23 1 28 22 24 1 29 1 27 1 30 1 28 1 31 1 29 1 32 5 30 1 33 6 31 1 34 8 32 1 35 16 33 1 36 23 34 1 37 23 35 1 38 23 36 1 39 24 37 1 40 24 38 1 41 24 39 1