@MOLECULE 4-nitrothiophenol 15 15 0 0 0 SMALL GASTEIGER @ATOM 1 S -3.4369 0.0510 -0.0004 S.3 1 UNL1111111111 -0.0867 2 O 3.1301 -1.0681 -0.0006 O.2 1 UNL1111111111 -0.3982 3 O 3.1209 1.0833 0.0001 O.2 1 UNL1111111111 -0.3962 4 N 2.5492 0.0054 -0.0003 N.pl3 1 UNL1111111111 0.6272 5 C 1.0952 -0.0015 -0.0001 C.ar 1 UNL1111111111 -0.1020 6 C 0.4167 -1.2234 0.0009 C.ar 1 UNL1111111111 -0.0591 7 C 0.4024 1.2132 0.0004 C.ar 1 UNL1111111111 -0.0630 8 C -1.6732 -0.0177 -0.0003 C.ar 1 UNL1111111111 -0.0086 9 C -0.9740 -1.2268 0.0004 C.ar 1 UNL1111111111 -0.2075 10 C -0.9877 1.2018 0.0004 C.ar 1 UNL1111111111 -0.1831 11 H 0.9771 -2.1654 0.0015 H 1 UNL1111111111 0.1884 12 H 0.9523 2.1613 0.0010 H 1 UNL1111111111 0.1892 13 H -1.4952 -2.1847 0.0008 H 1 UNL1111111111 0.1651 14 H -1.5256 2.1526 0.0013 H 1 UNL1111111111 0.1772 15 H -3.7351 -1.2559 0.0018 H 1 UNL1111111111 0.1574 @BOND 1 1 8 1 2 1 15 1 3 2 4 2 4 3 4 2 5 4 5 1 6 5 6 ar 7 5 7 ar 8 6 9 ar 9 6 11 1 10 7 10 ar 11 7 12 1 12 8 9 ar 13 8 10 ar 14 9 13 1 15 10 14 1