@MOLECULE FDBD03247 18 17 0 0 0 SMALL USER_CHARGES @ATOM 1 C -0.0187 1.5258 0.0104 C.3 1 UNK -0.0547 2 C1 0.0021 -0.0041 0.0020 C.3 1 UNK 0.0119 3 S 0.8511 -0.5891 -1.4904 S.3 1 UNK -0.0042 4 S1 2.8045 -0.0741 -1.1416 S.O2 1 UNK 0.0197 5 O 3.4491 -0.2773 -2.3915 O.2 1 UNK -0.1632 6 O1 2.7271 1.2197 -0.5590 O.2 1 UNK -0.1632 7 C2 3.3818 -1.2874 0.0771 C.3 1 UNK 0.0741 8 C3 4.8451 -1.0057 0.4236 C.3 1 UNK -0.0448 9 H -0.5195 1.8709 0.8908 H 1 UNK 0.0238 10 H1 -0.5362 1.8802 -0.8564 H 1 UNK 0.0238 11 H2 0.9851 1.8962 0.0028 H 1 UNK 0.0238 12 H3 -1.0017 -0.3745 0.0096 H 1 UNK 0.0389 13 H4 0.5197 -0.3585 0.8688 H 1 UNK 0.0389 14 H5 3.2953 -2.2724 -0.3317 H 1 UNK 0.0507 15 H6 2.7854 -1.2151 0.9625 H 1 UNK 0.0507 16 H7 5.4416 -1.0780 -0.4618 H 1 UNK 0.0246 17 H8 5.1856 -1.7214 1.1425 H 1 UNK 0.0246 18 H9 4.9316 -0.0207 0.8324 H 1 UNK 0.0246 @BOND 1 1 2 1 2 2 3 1 3 3 4 1 4 4 5 2 5 4 6 2 6 4 7 1 7 7 8 1 8 1 9 1 9 1 10 1 10 1 11 1 11 2 12 1 12 2 13 1 13 7 14 1 14 7 15 1 15 8 16 1 16 8 17 1 17 8 18 1