@MOLECULE FDBD01914 42 44 0 0 0 SMALL USER_CHARGES @ATOM 1 C 2.3308 -1.4720 1.8324 C.3 1 UNK -0.0379 2 C1 1.2017 -1.3896 0.8377 C.ar 1 UNK -0.0271 3 C2 1.3141 -2.0179 -0.3868 C.ar 1 UNK -0.0387 4 C3 0.2810 -1.9475 -1.3076 C.ar 1 UNK 0.0421 5 C4 -0.8711 -1.2486 -1.0092 C.ar 1 UNK -0.0294 6 C5 -0.9976 -0.6097 0.2245 C.ar 1 UNK 0.0588 7 C6 0.0477 -0.6871 1.1557 C.ar 1 UNK 0.0490 8 N -0.0674 -0.0528 2.3915 N.am 1 UNK -0.2793 9 C7 0.1145 -0.7536 3.5282 C.2 1 UNK 0.2668 10 O 0.4770 -1.9136 3.4762 O.2 1 UNK -0.2682 11 C8 -0.1253 -0.1160 4.8314 C.ar 1 UNK 0.1321 12 C9 -0.6451 1.1448 5.0453 C.ar 1 UNK 0.0030 13 C10 -0.7047 1.3502 6.4227 C.ar 1 UNK 0.1292 14 Br -1.3391 2.9140 7.2759 Br 1 UNK -0.0268 15 N1 -0.2496 0.2817 7.0293 N.ar 1 UNK -0.1574 16 N2 0.1193 -0.6631 6.0636 N.ar 1 UNK -0.2071 17 C11 0.6488 -1.9319 6.3117 C.ar 1 UNK 0.1732 18 C12 0.9759 -2.2997 7.6127 C.ar 1 UNK 0.0851 19 C13 1.4996 -3.5610 7.8442 C.ar 1 UNK -0.0383 20 C14 1.6779 -4.4121 6.7626 C.ar 1 UNK -0.0421 21 C15 1.3307 -3.9797 5.4973 C.ar 1 UNK 0.0300 22 N3 0.8293 -2.7747 5.3079 N.ar 1 UNK -0.2349 23 Cl 0.7318 -1.1931 8.9278 Cl 1 UNK -0.0797 24 C16 -2.2284 0.1400 0.5501 C.2 1 UNK 0.2167 25 N4 -2.3867 0.6463 1.7381 N.2 1 UNK -0.2537 26 C17 -3.6511 1.2940 2.0958 C.3 1 UNK 0.0320 27 O1 -3.1906 0.3000 -0.3870 O.2 1 UNK -0.4922 28 Cl1 0.4369 -2.7415 -2.8436 Cl 1 UNK -0.0835 29 H 2.1660 -2.3178 2.4999 H 1 UNK 0.0278 30 H1 3.2734 -1.6063 1.3018 H 1 UNK 0.0278 31 H2 2.3697 -0.5516 2.4150 H 1 UNK 0.0278 32 H3 2.2122 -2.5669 -0.6282 H 1 UNK 0.0635 33 H4 -1.6736 -1.1961 -1.7301 H 1 UNK 0.0640 34 H5 -0.2785 0.8931 2.4334 H 1 UNK 0.1552 35 H6 -0.9502 1.8460 4.2826 H 1 UNK 0.0668 36 H7 1.7634 -3.8747 8.8433 H 1 UNK 0.0634 37 H8 2.0843 -5.4020 6.9085 H 1 UNK 0.0633 38 H9 1.4677 -4.6387 4.6527 H 1 UNK 0.0830 39 H10 -4.4527 0.5554 2.0877 H 1 UNK 0.0473 40 H11 -3.5676 1.7287 3.0919 H 1 UNK 0.0473 41 H12 -3.8738 2.0798 1.3739 H 1 UNK 0.0473 42 H13 -3.9573 0.8038 -0.0814 H 1 UNK 0.2937 @BOND 1 1 2 1 2 1 29 1 3 1 30 1 4 1 31 1 5 2 7 ar 6 2 3 ar 7 3 4 ar 8 3 32 1 9 4 5 ar 10 4 28 1 11 5 6 ar 12 5 33 1 13 6 7 ar 14 6 24 1 15 7 8 1 16 8 9 am 17 8 34 1 18 9 10 2 19 9 11 1 20 11 16 ar 21 11 12 ar 22 12 13 ar 23 12 35 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 36 1 34 20 21 ar 35 20 37 1 36 21 22 ar 37 21 38 1 38 24 25 2 39 24 27 1 40 25 26 1 41 26 39 1 42 26 40 1 43 26 41 1 44 27 42 1