@MOLECULE FDBD01886 28 28 0 0 0 SMALL USER_CHARGES @ATOM 1 C -0.2494 1.3931 -0.0184 C.3 1 UNK -0.0418 2 C1 -0.0704 -0.1250 0.0458 C.3 1 UNK 0.0946 3 C2 -1.4287 -0.8216 0.1497 C.3 1 UNK -0.0418 4 C3 0.6945 -0.6215 -1.1588 C.2 1 UNK 0.2370 5 O 0.2900 -0.4913 -2.2946 O.2 1 UNK -0.2737 6 N 1.8426 -1.2096 -0.8692 N.am 1 UNK -0.2501 7 C4 2.6849 -1.7370 -1.9456 C.3 1 UNK 0.0102 8 C5 2.2483 -1.3271 0.4380 C.2 1 UNK 0.2028 9 N1 3.3496 -1.8803 0.8558 N.2 1 UNK -0.0500 10 O1 4.0854 -2.4445 0.0660 O.3 1 UNK -0.2968 11 C6 5.2075 -2.9952 0.5631 C.2 1 UNK 0.4258 12 O2 5.4482 -2.9162 1.7518 O.2 1 UNK -0.2241 13 N2 6.0650 -3.6345 -0.2570 N.am 1 UNK -0.2824 14 C7 7.2871 -4.2342 0.2844 C.3 1 UNK 0.0033 15 S 0.9966 -0.5864 1.4509 S.3 1 UNK -0.0712 16 H 0.7257 1.8701 -0.1167 H 1 UNK 0.0248 17 H1 -0.8679 1.6500 -0.8785 H 1 UNK 0.0248 18 H2 -0.7336 1.7408 0.8941 H 1 UNK 0.0248 19 H3 -2.0275 -0.5832 -0.7293 H 1 UNK 0.0248 20 H4 -1.2805 -1.9000 0.2068 H 1 UNK 0.0248 21 H5 -1.9456 -0.4780 1.0457 H 1 UNK 0.0248 22 H6 2.2276 -1.5109 -2.9088 H 1 UNK 0.0433 23 H7 3.6711 -1.2757 -1.8944 H 1 UNK 0.0433 24 H8 2.7827 -2.8169 -1.8344 H 1 UNK 0.0433 25 H9 5.8729 -3.6975 -1.2057 H 1 UNK 0.1517 26 H10 7.8963 -3.4597 0.7503 H 1 UNK 0.0427 27 H11 7.0241 -4.9862 1.0283 H 1 UNK 0.0427 28 H12 7.8501 -4.7029 -0.5227 H 1 UNK 0.0427 @BOND 1 1 2 1 2 1 16 1 3 1 17 1 4 1 18 1 5 2 15 1 6 2 3 1 7 2 4 1 8 3 19 1 9 3 20 1 10 3 21 1 11 4 5 2 12 4 6 am 13 6 7 1 14 6 8 1 15 7 22 1 16 7 23 1 17 7 24 1 18 8 9 2 19 8 15 1 20 9 10 1 21 10 11 1 22 11 12 2 23 11 13 am 24 13 14 1 25 13 25 1 26 14 26 1 27 14 27 1 28 14 28 1