@MOLECULE nifurzide 31 32 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 C 4.5445 -1.8830 0.0051 C.ar 1 UNL1 -0.1000 2 C 5.8767 -1.3861 0.0092 C.ar 1 UNL1 -0.0930 3 C -5.6040 2.2704 -0.0127 C.ar 1 UNL1 -0.2741 4 C -6.8344 1.5488 -0.0066 C.ar 1 UNL1 -0.0827 5 H 1.6258 0.8663 0.0374 H 1 UNL1 0.2939 6 C 3.5920 -0.8862 -0.0029 C.ar 1 UNL1 -0.3029 7 C 5.9165 -0.0087 0.0024 C.ar 1 UNL1 -0.2475 8 C -4.5913 1.3286 -0.0078 C.ar 1 UNL1 0.1727 9 C -6.4863 0.2161 -0.0045 C.ar 1 UNL1 -0.0391 10 O 1.7399 -2.3417 -0.0248 O.2 1 UNL1 -0.3786 11 O 8.1807 0.1842 0.0348 O.2 1 UNL1 -0.3746 12 O -8.4817 -0.8294 0.0364 O.2 1 UNL1 -0.3950 13 C 2.1530 -1.2121 -0.0096 C.2 1 UNL1 0.5981 14 C -0.8602 0.6776 0.0264 C.2 1 UNL1 -0.1390 15 C -2.2981 0.4161 0.0018 C.2 1 UNL1 -0.0414 16 C -3.1640 1.4459 0.0059 C.2 1 UNL1 -0.2263 17 N 1.2854 -0.0912 0.0041 N.am 1 UNL1 -0.4665 18 N -0.0465 -0.3393 -0.0282 N.2 1 UNL1 -0.0529 19 O 6.9993 1.9919 -0.0129 O.2 1 UNL1 -0.3969 20 O -6.7029 -2.0539 -0.0083 O.2 1 UNL1 -0.3703 21 N 7.1154 0.7767 0.0074 N.pl3 1 UNL1 0.6515 22 N -7.2677 -0.9749 0.0079 N.pl3 1 UNL1 0.6443 23 O -5.1088 0.0467 -0.0077 O.2 1 UNL1 -0.0982 24 S 4.3223 0.6758 -0.0118 S.2 1 UNL1 0.4333 25 H 4.3098 -2.9458 0.0099 H 1 UNL1 0.1966 26 H 6.7550 -2.0263 0.0177 H 1 UNL1 0.1964 27 H -0.5533 1.7289 0.0920 H 1 UNL1 0.1535 28 H -2.6158 -0.6333 -0.0145 H 1 UNL1 0.1912 29 H -2.8089 2.4839 0.0228 H 1 UNL1 0.1735 30 H -5.5014 3.3365 -0.0188 H 1 UNL1 0.1824 31 H -7.8258 1.9681 -0.0019 H 1 UNL1 0.1914 @BOND 1 18 17 1 2 18 14 2 3 10 13 2 4 30 3 1 5 28 15 1 6 19 21 2 7 3 8 ar 8 3 4 ar 9 24 6 ar 10 24 7 ar 11 13 6 1 12 13 17 am 13 20 22 2 14 8 23 ar 15 8 16 1 16 23 9 ar 17 4 9 ar 18 4 31 1 19 9 22 1 20 6 1 ar 21 15 16 2 22 15 14 1 23 7 21 1 24 7 2 ar 25 17 5 1 26 1 2 ar 27 1 25 1 28 16 29 1 29 21 11 2 30 22 12 2 31 2 26 1 32 14 27 1