@MOLECULE sulfurol 18 18 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 S -1.2737 -1.3442 0.0088 S.2 1 UNL1 0.1217 2 O 2.5452 0.2118 -0.9338 O.3 1 UNL1 -0.5345 3 N -1.7123 1.1802 -0.3200 N.ar 1 UNL1 -0.3586 4 C 1.3023 -0.6702 0.9721 C.3 1 UNL1 -0.3065 5 C -0.0002 -0.2215 0.4496 C.ar 1 UNL1 -0.2002 6 C -0.4136 1.0636 0.2018 C.ar 1 UNL1 0.1427 7 C 2.2881 -0.9487 -0.1765 C.3 1 UNL1 0.0106 8 C 0.3508 2.3151 0.4075 C.3 1 UNL1 -0.4323 9 C -2.2951 0.0243 -0.4833 C.ar 1 UNL1 -0.0382 10 H 1.2095 -1.5781 1.6075 H 1 UNL1 0.1629 11 H 1.7313 0.1002 1.6530 H 1 UNL1 0.1586 12 H 1.8724 -1.6439 -0.9307 H 1 UNL1 0.1506 13 H 3.2476 -1.3444 0.2035 H 1 UNL1 0.1169 14 H -0.3190 3.1923 0.4629 H 1 UNL1 0.1815 15 H 0.9458 2.2954 1.3295 H 1 UNL1 0.1526 16 H 1.0319 2.4962 -0.4422 H 1 UNL1 0.1725 17 H -3.2959 -0.1009 -0.8755 H 1 UNL1 0.1923 18 H 2.7990 0.9574 -0.3570 H 1 UNL1 0.3076 @BOND 1 2 18 1 2 2 7 1 3 12 7 1 4 17 9 1 5 9 3 ar 6 9 1 ar 7 16 8 1 8 3 6 ar 9 7 13 1 10 7 4 1 11 1 5 ar 12 6 8 1 13 6 5 ar 14 8 14 1 15 8 15 1 16 5 4 1 17 4 10 1 18 4 11 1