@MOLECULE (e)-nithiazine 18 18 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 H -0.6028 -1.7232 0.1080 H 1 UNL1 0.3682 2 O -2.3645 -1.2266 0.0207 O.2 1 UNL1 -0.5507 3 C 1.5421 -1.6974 0.2869 C.3 1 UNL1 -0.0777 4 C 2.8566 0.4275 0.0409 C.3 1 UNL1 -0.3430 5 C 2.6200 -0.9625 -0.5228 C.3 1 UNL1 -0.2951 6 C -0.0041 0.2341 0.0641 C.2 1 UNL1 0.2613 7 C -1.2728 0.7780 -0.0303 C.2 1 UNL1 -0.4914 8 O -3.5307 0.5729 -0.1145 O.2 1 UNL1 -0.4048 9 N -2.4492 0.0119 -0.0421 N.pl3 1 UNL1 0.7074 10 N 0.2210 -1.0906 0.1263 N.pl3 1 UNL1 -0.4651 11 S 1.3235 1.4262 0.0792 S.3 1 UNL1 0.0937 12 H -1.4383 1.8554 -0.1032 H 1 UNL1 0.2177 13 H 1.4744 -2.7619 -0.0455 H 1 UNL1 0.1580 14 H 1.8144 -1.7203 1.3706 H 1 UNL1 0.1524 15 H 3.2838 0.3772 1.0614 H 1 UNL1 0.1672 16 H 3.5908 0.9873 -0.5733 H 1 UNL1 0.1725 17 H 3.5634 -1.5481 -0.5011 H 1 UNL1 0.1597 18 H 2.3365 -0.9223 -1.5969 H 1 UNL1 0.1699 @BOND 1 18 5 1 2 16 4 1 3 5 17 1 4 5 4 1 5 5 3 1 6 8 9 2 7 12 7 1 8 13 3 1 9 9 7 1 10 9 2 2 11 7 6 2 12 4 11 1 13 4 15 1 14 6 11 1 15 6 10 1 16 1 10 1 17 10 3 1 18 3 14 1