@MOLECULE FDBD03224 12 12 0 0 0 SMALL USER_CHARGES @ATOM 1 C -0.0218 1.7563 0.0117 C.cat 1 UNK 0.5634 2 N 1.0320 2.5366 0.0058 N.2 1 UNK -0.0481 3 N1 -1.3111 2.1688 0.0203 N.pl3 1 UNK 0.0646 4 N2 -2.2315 1.1431 0.0193 N.3 1 UNK -0.0331 5 C1 -1.7562 -0.0489 0.0105 C.3 1 UNK 0.2110 6 S -2.7261 -1.5199 0.0068 S.3 1 UNK -0.1392 7 S1 0.0021 -0.0041 0.0020 S.3 1 UNK 0.2150 8 H 1.9349 2.1443 -0.0003 H 1 UNK 0.2486 9 H1 -1.5688 3.1189 0.0267 H 1 UNK 0.5307 10 H2 -2.8154 1.2507 -0.8101 H 1 UNK 0.2032 11 H3 -2.3455 -0.9420 0.0111 H 1 UNK 0.0795 12 H4 -2.8416 -1.9835 -1.2665 H 1 UNK 0.1043 @BOND 1 1 7 1 2 1 2 2 3 1 3 1 4 3 4 1 5 4 5 1 6 5 6 1 7 5 7 1 8 2 8 1 9 3 9 1 10 4 10 1 11 5 11 1 12 6 12 1