@MOLECULE FDBD01915 43 45 0 0 0 SMALL USER_CHARGES @ATOM 1 C -1.4836 1.1090 0.3526 C.3 1 UNK -0.0379 2 C1 -0.7819 -0.2105 0.1586 C.ar 1 UNK -0.0273 3 C2 -0.9046 -0.8837 -1.0360 C.ar 1 UNK -0.0396 4 C3 -0.2563 -2.1093 -1.2238 C.ar 1 UNK 0.0529 5 C4 0.5171 -2.6533 -0.1989 C.ar 1 UNK -0.0303 6 C5 0.6414 -1.9733 1.0084 C.ar 1 UNK 0.0586 7 C6 -0.0083 -0.7411 1.1846 C.ar 1 UNK 0.0490 8 N 0.1125 -0.0576 2.3887 N.am 1 UNK -0.2793 9 C7 0.5360 1.2219 2.3978 C.2 1 UNK 0.2668 10 O 0.7164 1.8103 1.3486 O.2 1 UNK -0.2682 11 C8 0.7799 1.9066 3.6760 C.ar 1 UNK 0.1321 12 C9 0.7297 1.3397 4.9337 C.ar 1 UNK 0.0030 13 C10 1.0248 2.3383 5.8603 C.ar 1 UNK 0.1292 14 Br 1.0954 2.1127 7.7365 Br 1 UNK -0.0268 15 N1 1.2453 3.4589 5.2181 N.ar 1 UNK -0.1574 16 N2 1.1058 3.2268 3.8441 N.ar 1 UNK -0.2071 17 C11 1.2628 4.1729 2.8282 C.ar 1 UNK 0.1732 18 C12 1.4571 5.5105 3.1563 C.ar 1 UNK 0.0851 19 C13 1.6114 6.4377 2.1388 C.ar 1 UNK -0.0383 20 C14 1.5656 5.9923 0.8252 C.ar 1 UNK -0.0421 21 C15 1.3692 4.6483 0.5733 C.ar 1 UNK 0.0300 22 N3 1.2308 3.7875 1.5628 N.ar 1 UNK -0.2349 23 Cl 1.5051 6.0111 4.8179 Cl 1 UNK -0.0797 24 C16 1.4588 -2.5432 2.0997 C.2 1 UNK 0.2167 25 N4 1.6588 -1.8590 3.1880 N.2 1 UNK -0.2537 26 C17 2.5575 -2.3757 4.2232 C.3 1 UNK 0.0320 27 O1 1.9990 -3.7761 1.9670 O.2 1 UNK -0.4922 28 C18 -0.3873 -2.8053 -2.4684 C.1 1 UNK 0.0992 29 N5 -0.4913 -3.3575 -3.4557 N.1 1 UNK -0.1909 30 H -0.8119 1.9218 0.0761 H 1 UNK 0.0278 31 H1 -2.3733 1.1433 -0.2761 H 1 UNK 0.0278 32 H2 -1.7730 1.2165 1.3979 H 1 UNK 0.0278 33 H3 -1.5037 -0.4645 -1.8309 H 1 UNK 0.0634 34 H4 1.0178 -3.5995 -0.3417 H 1 UNK 0.0638 35 H5 -0.1079 -0.5014 3.2226 H 1 UNK 0.1552 36 H6 0.5024 0.3082 5.1591 H 1 UNK 0.0668 37 H7 1.7634 7.4833 2.3627 H 1 UNK 0.0634 38 H8 1.6820 6.6892 0.0084 H 1 UNK 0.0633 39 H9 1.3325 4.2973 -0.4474 H 1 UNK 0.0830 40 H10 2.2345 -3.3736 4.5197 H 1 UNK 0.0473 41 H11 3.5735 -2.4241 3.8313 H 1 UNK 0.0473 42 H12 2.5332 -1.7138 5.0889 H 1 UNK 0.0473 43 H13 2.5166 -4.0631 2.7317 H 1 UNK 0.2937 @BOND 1 1 2 1 2 1 30 1 3 1 31 1 4 1 32 1 5 2 7 ar 6 2 3 ar 7 3 4 ar 8 3 33 1 9 4 5 ar 10 4 28 1 11 5 6 ar 12 5 34 1 13 6 7 ar 14 6 24 1 15 7 8 1 16 8 9 am 17 8 35 1 18 9 10 2 19 9 11 1 20 11 16 ar 21 11 12 ar 22 12 13 ar 23 12 36 1 24 13 14 1 25 13 15 ar 26 15 16 ar 27 16 17 1 28 17 22 ar 29 17 18 ar 30 18 19 ar 31 18 23 1 32 19 20 ar 33 19 37 1 34 20 21 ar 35 20 38 1 36 21 22 ar 37 21 39 1 38 24 25 2 39 24 27 1 40 25 26 1 41 26 40 1 42 26 41 1 43 26 42 1 44 27 43 1 45 28 29 3