@MOLECULE FDBD02033 21 21 0 0 0 SMALL USER_CHARGES @ATOM 1 C 0.5840 -0.1830 -1.3349 C.3 1 UNK -0.0430 2 N 0.0021 -0.0041 0.0020 N.4 1 UNK 0.2343 3 C1 0.1760 1.3770 0.4714 C.3 1 UNK -0.0430 4 C2 -1.4153 -0.3900 0.0152 C.3 1 UNK -0.0014 5 C3 -2.1443 0.3598 -1.0905 C.3 1 UNK 0.0485 6 S -3.9287 0.3810 -0.7622 S.3 1 UNK -0.0762 7 S1 -4.4321 -1.6043 -0.9145 S.3 1 UNK -0.0239 8 S2 -3.1374 -2.4855 0.4141 S.3 1 UNK -0.0762 9 C4 -1.5211 -1.8975 -0.1642 C.3 1 UNK 0.0485 10 H 1.6145 0.1046 -1.3168 H 1 UNK 0.0777 11 H1 0.0559 0.4264 -2.0382 H 1 UNK 0.0777 12 H2 0.5054 -1.2103 -1.6235 H 1 UNK 0.0777 13 H3 0.5004 -0.6189 0.6455 H 1 UNK 0.2031 14 H4 -0.3382 2.0451 -0.1875 H 1 UNK 0.0777 15 H5 1.2178 1.6207 0.4846 H 1 UNK 0.0777 16 H6 -0.2249 1.4712 1.4590 H 1 UNK 0.0777 17 H7 -1.8707 -0.1327 0.9487 H 1 UNK 0.0868 18 H8 -1.9629 -0.1263 -2.0263 H 1 UNK 0.0441 19 H9 -1.7839 1.3666 -1.1259 H 1 UNK 0.0441 20 H10 -0.7483 -2.3757 0.4005 H 1 UNK 0.0441 21 H11 -1.4146 -2.1339 -1.2023 H 1 UNK 0.0441 @BOND 1 1 2 1 2 2 3 1 3 2 4 1 4 4 9 1 5 4 5 1 6 5 6 1 7 6 7 1 8 7 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 3 16 1 17 4 17 1 18 5 18 1 19 5 19 1 20 9 20 1 21 9 21 1