@MOLECULE FDBD02903 46 47 0 0 0 SMALL USER_CHARGES @ATOM 1 C -0.6754 1.6869 0.1820 C.3 1 UNK -0.0396 2 C1 -0.6323 0.1817 0.1202 C.ar 1 UNK -0.0470 3 C2 -0.7401 -0.4631 -1.0983 C.ar 1 UNK -0.0584 4 C3 -0.7009 -1.8437 -1.1583 C.ar 1 UNK -0.0551 5 C4 -0.5543 -2.5827 -0.0002 C.ar 1 UNK -0.0088 6 C5 -0.5117 -4.0877 -0.0663 C.3 1 UNK -0.0362 7 C6 -0.4460 -1.9383 1.2234 C.ar 1 UNK 0.1241 8 C7 -0.4795 -0.5523 1.2802 C.ar 1 UNK -0.0167 9 O -0.3017 -2.6630 2.3639 O.3 1 UNK -0.4871 10 C8 -0.0860 -1.9332 3.5734 C.3 1 UNK 0.1153 11 C9 -0.0644 -2.8879 4.7392 C.ar 1 UNK -0.0010 12 C10 -0.3289 -4.2277 4.5406 C.ar 1 UNK -0.0547 13 C11 -0.3094 -5.1053 5.6097 C.ar 1 UNK -0.0614 14 C12 -0.0249 -4.6463 6.8837 C.ar 1 UNK -0.0611 15 C13 0.2412 -3.3091 7.0948 C.ar 1 UNK -0.0519 16 C14 0.2287 -2.4203 6.0198 C.ar 1 UNK 0.0150 17 C15 0.5141 -0.9832 6.2396 C.2 1 UNK 0.1714 18 N -0.3067 -0.2567 6.9407 N.2 1 UNK -0.0795 19 O1 -1.4172 -0.8598 7.5796 O.2 1 UNK -0.3965 20 C16 -2.2947 0.0690 8.2193 C.3 1 UNK 0.1072 21 C17 1.7341 -0.3733 5.6613 C.2 1 UNK 0.2660 22 O2 2.5497 -1.0703 5.0906 O.2 1 UNK -0.2684 23 N1 1.9393 0.9544 5.7681 N.am 1 UNK -0.3131 24 C18 3.1457 1.5575 5.1962 C.3 1 UNK 0.0004 25 H 0.3351 2.0836 0.0838 H 1 UNK 0.0278 26 H1 -1.2952 2.0662 -0.6305 H 1 UNK 0.0278 27 H2 -1.0972 1.9994 1.1372 H 1 UNK 0.0278 28 H3 -0.8555 0.1128 -2.0046 H 1 UNK 0.0620 29 H4 -0.7853 -2.3449 -2.1112 H 1 UNK 0.0621 30 H5 0.5200 -4.4169 -0.1900 H 1 UNK 0.0279 31 H6 -0.9176 -4.5035 0.8559 H 1 UNK 0.0279 32 H7 -1.1067 -4.4312 -0.9125 H 1 UNK 0.0279 33 H8 -0.3949 -0.0482 2.2316 H 1 UNK 0.0657 34 H9 0.8676 -1.4083 3.5159 H 1 UNK 0.0748 35 H10 -0.8907 -1.2108 3.7103 H 1 UNK 0.0748 36 H11 -0.5520 -4.5917 3.5486 H 1 UNK 0.0622 37 H12 -0.5174 -6.1529 5.4495 H 1 UNK 0.0618 38 H13 -0.0114 -5.3361 7.7145 H 1 UNK 0.0618 39 H14 0.4628 -2.9520 8.0896 H 1 UNK 0.0624 40 H15 -2.7570 0.7089 7.4677 H 1 UNK 0.0687 41 H16 -3.0694 -0.4757 8.7590 H 1 UNK 0.0687 42 H17 -1.7271 0.6823 8.9191 H 1 UNK 0.0687 43 H18 1.2882 1.5107 6.2236 H 1 UNK 0.1487 44 H19 4.0276 1.1165 5.6608 H 1 UNK 0.0426 45 H20 3.1701 1.3728 4.1222 H 1 UNK 0.0426 46 H21 3.1370 2.6318 5.3799 H 1 UNK 0.0426 @BOND 1 1 2 1 2 1 25 1 3 1 26 1 4 1 27 1 5 2 8 ar 6 2 3 ar 7 3 4 ar 8 3 28 1 9 4 5 ar 10 4 29 1 11 5 6 1 12 5 7 ar 13 6 30 1 14 6 31 1 15 6 32 1 16 7 8 ar 17 7 9 1 18 8 33 1 19 9 10 1 20 10 11 1 21 10 34 1 22 10 35 1 23 11 16 ar 24 11 12 ar 25 12 13 ar 26 12 36 1 27 13 14 ar 28 13 37 1 29 14 15 ar 30 14 38 1 31 15 16 ar 32 15 39 1 33 16 17 1 34 17 18 2 35 17 21 1 36 18 19 1 37 19 20 1 38 20 40 1 39 20 41 1 40 20 42 1 41 21 22 2 42 21 23 am 43 23 24 1 44 23 43 1 45 24 44 1 46 24 45 1 47 24 46 1