@MOLECULE benzylthiol 16 16 0 0 0 SMALL USER_CHARGES @ATOM 1 C 1.4178 -0.1233 -0.9453 C.3 1 UNL111111111 -0.3294 2 S 2.5523 0.0611 0.4909 S.3 1 UNL111111111 -0.1745 3 H 1.8645 -0.6252 1.4129 H 1 UNL111111111 0.1623 4 C 0.0047 -0.0560 -0.4888 C.ar 1 UNL111111111 -0.0055 5 H 1.6651 0.6891 -1.6594 H 1 UNL111111111 0.1764 6 H 1.6435 -1.0693 -1.4755 H 1 UNL111111111 0.1688 7 C -0.7023 -1.2326 -0.2269 C.ar 1 UNL111111111 -0.1777 8 C -2.0203 -1.1686 0.2195 C.ar 1 UNL111111111 -0.1372 9 C -2.6380 0.0668 0.4034 C.ar 1 UNL111111111 -0.1530 10 C -1.9372 1.2417 0.1360 C.ar 1 UNL111111111 -0.1382 11 C -0.6198 1.1819 -0.3110 C.ar 1 UNL111111111 -0.1588 12 H -0.2284 -2.2009 -0.3741 H 1 UNL111111111 0.1530 13 H -2.5688 -2.0868 0.4232 H 1 UNL111111111 0.1517 14 H -3.6672 0.1143 0.7532 H 1 UNL111111111 0.1521 15 H -2.4198 2.2077 0.2761 H 1 UNL111111111 0.1520 16 H -0.0742 2.1019 -0.5163 H 1 UNL111111111 0.1581 @BOND 1 5 1 1 2 16 11 1 3 1 2 1 4 1 6 1 5 1 4 1 6 2 3 1 7 11 4 ar 8 11 10 ar 9 4 7 ar 10 15 10 1 11 10 9 ar 12 7 12 1 13 7 8 ar 14 9 8 ar 15 9 14 1 16 8 13 1