@MOLECULE FDBD03115 20 20 0 0 0 SMALL USER_CHARGES @ATOM 1 C -0.0178 1.4648 0.0101 C.3 1 UNK -0.0407 2 N 0.0021 -0.0041 0.0020 N.4 1 UNK 0.2542 3 C1 0.6829 -0.5123 -1.1878 C.3 1 UNK 0.0394 4 N1 0.6661 -1.9589 -1.2702 N.am 1 UNK -0.2839 5 C2 0.8556 -2.5442 -2.5998 C.3 1 UNK 0.0063 6 C3 0.4965 -2.8097 -0.2619 C.2 1 UNK 0.1174 7 S 0.6061 -4.4891 -0.5760 S.2 1 UNK -0.0276 8 S1 0.1645 -2.2771 1.3832 S.3 1 UNK -0.0531 9 C4 0.6249 -0.5304 1.2290 C.3 1 UNK 0.0232 10 H -0.5206 1.8098 0.8893 H 1 UNK 0.0778 11 H1 -0.5334 1.8193 -0.8579 H 1 UNK 0.0778 12 H2 0.9861 1.8351 0.0048 H 1 UNK 0.0778 13 H3 -0.9641 -0.3299 -0.0251 H 1 UNK 0.2057 14 H4 1.7007 -0.1830 -1.1660 H 1 UNK 0.1042 15 H5 0.1616 -0.1351 -2.0427 H 1 UNK 0.1042 16 H6 0.9801 -1.7621 -3.3193 H 1 UNK 0.0430 17 H7 -0.0011 -3.1317 -2.8563 H 1 UNK 0.0430 18 H8 1.7262 -3.1663 -2.5949 H 1 UNK 0.0430 19 H9 0.2713 0.0151 2.0789 H 1 UNK 0.0942 20 H10 1.6889 -0.4285 1.1799 H 1 UNK 0.0942 @BOND 1 1 2 1 2 2 9 1 3 2 3 1 4 3 4 1 5 4 5 1 6 4 6 1 7 6 7 2 8 6 8 1 9 8 9 1 10 1 10 1 11 1 11 1 12 1 12 1 13 2 13 1 14 3 14 1 15 3 15 1 16 5 16 1 17 5 17 1 18 5 18 1 19 9 19 1 20 9 20 1