@MOLECULE FDBD02026 18 18 0 0 0 SMALL USER_CHARGES @ATOM 1 C -0.0187 1.5282 0.0104 C.3 1 UNK -0.0281 2 C1 1.4059 2.0762 -0.0002 C.3 1 UNK 0.0104 3 N 2.0678 1.7684 -1.2720 N.pl3 1 UNK -0.3374 4 C2 2.1953 0.4210 -1.6450 C.2 1 UNK 0.0844 5 C3 3.3618 -0.0924 -2.0307 C.2 1 UNK 0.1173 6 N1 3.4516 -1.5197 -2.4160 N.pl3 1 UNK 0.0515 7 O 2.4584 -2.2239 -2.3799 O.2 1 UNK -0.1266 8 O1 4.5186 -1.9893 -2.7688 O.2 1 UNK -0.1266 9 S 0.7207 -0.5604 -1.5758 S.3 1 UNK -0.1088 10 C4 0.0021 -0.0041 0.0020 C.3 1 UNK 0.0009 11 H -0.5220 1.8698 0.8907 H 1 UNK 0.0288 12 H1 -0.5319 1.8746 -0.8623 H 1 UNK 0.0288 13 H2 1.9594 1.6323 0.8007 H 1 UNK 0.0461 14 H3 1.3677 3.1387 0.1205 H 1 UNK 0.0461 15 H4 2.4135 2.4874 -1.8488 H 1 UNK 0.1466 16 H5 4.2033 0.5042 -2.0612 H 1 UNK 0.0904 17 H6 -0.9953 -0.3796 0.0971 H 1 UNK 0.0381 18 H7 0.5866 -0.3684 0.8209 H 1 UNK 0.0381 @BOND 1 1 10 1 2 1 2 1 3 2 3 1 4 3 4 1 5 4 5 2 6 4 9 1 7 5 6 1 8 6 7 2 9 6 8 2 10 9 10 1 11 1 11 1 12 1 12 1 13 2 13 1 14 2 14 1 15 3 15 1 16 5 16 1 17 10 17 1 18 10 18 1