@MOLECULE FDBD02328 22 21 0 0 0 SMALL USER_CHARGES @ATOM 1 C -0.0187 1.5258 0.0104 C.3 1 UNK -0.0306 2 C1 0.0021 -0.0041 0.0020 C.3 1 UNK 0.0880 3 O -1.3601 -0.5067 0.0123 O.3 1 UNK -0.4796 4 C2 -1.5187 -1.8462 0.0066 C.2 1 UNK 0.2115 5 S -0.1471 -2.8705 -0.0120 S.2 1 UNK -0.0033 6 S1 -3.0916 -2.5221 0.0180 S.3 1 UNK -0.0033 7 S2 -2.6196 -4.5272 0.0028 S.3 1 UNK -0.0033 8 C3 -2.3924 -4.7919 1.6788 C.2 1 UNK 0.2115 9 S3 -2.5891 -3.4993 2.7840 S.2 1 UNK -0.0033 10 O1 -2.0584 -6.0190 2.1287 O.3 1 UNK -0.4796 11 C4 -1.8819 -6.1701 3.5620 C.3 1 UNK 0.0880 12 C5 -1.5083 -7.6194 3.8798 C.3 1 UNK -0.0306 13 H 0.9851 1.8962 0.0028 H 1 UNK 0.0262 14 H1 -0.5195 1.8709 0.8907 H 1 UNK 0.0262 15 H2 -0.5362 1.8802 -0.8565 H 1 UNK 0.0262 16 H3 0.5196 -0.3585 0.8689 H 1 UNK 0.0694 17 H4 0.5030 -0.3492 -0.8783 H 1 UNK 0.0694 18 H5 -2.7939 -5.9190 4.0621 H 1 UNK 0.0694 19 H6 -1.1011 -5.5191 3.8958 H 1 UNK 0.0694 20 H7 -2.2891 -8.2704 3.5459 H 1 UNK 0.0262 21 H8 -1.3782 -7.7308 4.9360 H 1 UNK 0.0262 22 H9 -0.5963 -7.8705 3.3797 H 1 UNK 0.0262 @BOND 1 1 2 1 2 2 3 1 3 3 4 1 4 4 5 2 5 4 6 1 6 6 7 1 7 7 8 1 8 8 9 2 9 8 10 1 10 10 11 1 11 11 12 1 12 1 13 1 13 1 14 1 14 1 15 1 15 2 16 1 16 2 17 1 17 11 18 1 18 11 19 1 19 12 20 1 20 12 21 1 21 12 22 1