@MOLECULE FDBD03132 4 3 0 0 0 SMALL USER_CHARGES @ATOM 1 C -0.0133 1.1318 0.0083 C.1 1 UNK 0.1296 2 N 0.0021 -0.0041 0.0020 N.1 1 UNK -0.1840 3 S -0.0379 2.9416 0.0182 S.3 1 UNK -0.0637 4 H -0.7924 3.3790 1.0618 H 1 UNK 0.1181 @BOND 1 1 2 3 2 1 3 1 3 3 4 1