@MOLECULE DB04086 58 60 1 SMALL USER_CHARGES @ATOM 1 F1 -2.6417 -2.6177 0.7603 F 1 noname -0.2387 2 C1 -2.4790 -1.4986 -0.0117 C.3 1 noname 0.1795 3 C2 -1.2579 -1.6561 -0.9588 C.3 1 noname 0.1976 4 C3 -3.7509 -1.3956 -0.8433 C.3 1 noname 0.1192 5 O1 -1.4721 -1.2394 -2.3537 O.3 1 noname -0.3406 6 O2 -0.1476 -0.9032 -0.4357 O.3 1 noname -0.2316 7 O3 -4.8688 -1.0864 -0.0111 O.3 1 noname -0.3869 8 C4 -3.6742 -0.3923 -2.0574 C.3 1 noname 0.1182 9 C5 -2.2719 -0.0562 -2.6112 C.3 1 noname 0.1128 10 C6 0.9824 -1.2021 -1.1481 C.2 1 noname 0.1126 11 O4 -4.5430 -0.7669 -3.1340 O.3 1 noname -0.3409 12 C7 -1.8065 1.3320 -2.0788 C.3 1 noname 0.0722 13 C8 1.7488 -2.3556 -0.7606 C.2 1 noname 0.0885 14 C9 1.3544 -0.4003 -2.2884 C.2 1 noname 0.0258 15 C10 -5.9378 -0.6881 -2.7358 C.3 1 noname 0.1869 16 O5 -2.7495 2.3242 -2.4566 O.3 1 noname -0.3934 17 N1 1.4381 -3.0233 0.3167 N.2 1 noname -0.0012 18 C11 2.8510 -2.7608 -1.5665 C.2 1 noname 0.1175 19 C12 2.4527 -0.8078 -3.1013 C.2 1 noname 0.0677 20 O6 -6.8108 -1.3463 -3.7158 O.3 1 noname -0.3413 21 C13 -6.3370 0.7384 -2.1902 C.3 1 noname 0.1334 22 O7 0.9442 -2.4761 1.2189 O.2 1 noname -0.1417 23 O8 1.6732 -4.2646 0.3815 O.3 1 noname -0.1417 24 C14 3.1720 -1.9881 -2.7294 C.2 1 noname 0.0489 25 C15 -8.1767 -0.8270 -3.7968 C.3 1 noname 0.1124 26 O9 -7.2723 0.5955 -1.1313 O.3 1 noname -0.3849 27 C16 -7.0123 1.4145 -3.3764 C.3 1 noname 0.1134 28 N2 4.1639 -2.3775 -3.4828 N.2 1 noname -0.0149 29 C17 -8.3039 0.7216 -3.8500 C.3 1 noname 0.1112 30 C18 -8.8838 -1.4387 -5.0079 C.3 1 noname 0.0722 31 O10 -6.0962 1.4984 -4.4581 O.3 1 noname -0.3873 32 O11 4.4272 -3.5097 -3.5599 O.2 1 noname -0.1447 33 O12 4.8395 -1.5255 -4.1292 O.3 1 noname -0.1447 34 O13 -9.3898 1.1356 -3.0340 O.3 1 noname -0.3874 35 O14 -8.9219 -2.8515 -4.8701 O.3 1 noname -0.3934 36 H1 -2.3298 -0.6791 0.6914 H 1 noname 0.0744 37 H2 -0.9992 -2.7133 -1.0188 H 1 noname 0.0959 38 H3 -3.9429 -2.4013 -1.2172 H 1 noname 0.0661 39 H4 -4.6108 -1.1578 0.9108 H 1 noname 0.2107 40 H5 -4.0851 0.5452 -1.6828 H 1 noname 0.0661 41 H6 -2.1618 0.0491 -3.6905 H 1 noname 0.0657 42 H7 -1.8374 1.3096 -0.9895 H 1 noname 0.0591 43 H8 -0.8846 1.6048 -2.5924 H 1 noname 0.0591 44 H9 0.8077 0.5099 -2.5349 H 1 noname 0.0651 45 H10 -6.0607 -1.3790 -1.9018 H 1 noname 0.0951 46 H11 -3.1279 2.7223 -1.6692 H 1 noname 0.2101 47 H12 3.4351 -3.6416 -1.2996 H 1 noname 0.0672 48 H13 2.7348 -0.2326 -3.9831 H 1 noname 0.0648 49 H14 -5.5361 1.3290 -1.7453 H 1 noname 0.0682 50 H15 -8.6020 -1.1611 -2.8504 H 1 noname 0.0657 51 H16 -7.4227 -0.3372 -0.9610 H 1 noname 0.2108 52 H17 -7.2510 2.4368 -3.0829 H 1 noname 0.0658 53 H18 -8.5537 1.0530 -4.8579 H 1 noname 0.0657 54 H19 -9.9250 -1.1165 -4.9893 H 1 noname 0.0591 55 H20 -8.2703 -1.2489 -5.8886 H 1 noname 0.0591 56 H21 -5.8552 0.6138 -4.7426 H 1 noname 0.2106 57 H22 -9.1485 1.0436 -2.1094 H 1 noname 0.2106 58 H23 -8.9281 -3.0821 -3.9383 H 1 noname 0.2101 @BOND 1 2 1 1 2 2 3 1 3 2 4 1 4 3 5 1 5 3 6 1 6 4 7 1 7 4 8 1 8 5 9 1 9 6 10 1 10 8 11 1 11 8 9 1 12 9 12 1 13 10 13 2 14 10 14 1 15 15 11 1 16 12 16 1 17 13 17 1 18 13 18 1 19 14 19 2 20 15 20 1 21 15 21 1 22 17 22 2 23 17 23 1 24 18 24 2 25 19 24 1 26 20 25 1 27 21 26 1 28 21 27 1 29 24 28 1 30 25 29 1 31 25 30 1 32 27 31 1 33 27 29 1 34 28 32 2 35 28 33 1 36 29 34 1 37 30 35 1 38 2 36 1 39 3 37 1 40 4 38 1 41 7 39 1 42 8 40 1 43 9 41 1 44 12 42 1 45 12 43 1 46 14 44 1 47 15 45 1 48 16 46 1 49 18 47 1 50 19 48 1 51 21 49 1 52 25 50 1 53 26 51 1 54 27 52 1 55 29 53 1 56 30 54 1 57 30 55 1 58 31 56 1 59 34 57 1 60 35 58 1 @SUBSTRUCTURE 1 noname 1