@MOLECULE mercaptoethanol 10 9 0 0 0 SMALL USER_CHARGES @ATOM 1 S -1.4093 0.2344 0.0725 S.3 1 UNL11111111 -0.1899 2 O 1.6158 0.7346 -0.1963 O.3 1 UNL11111111 -0.5623 3 C -0.0358 -0.9150 -0.3234 C.3 1 UNL11111111 -0.3337 4 C 1.2585 -0.5183 0.3738 C.3 1 UNL11111111 0.0039 5 H -0.3540 -1.9292 -0.0194 H 1 UNL11111111 0.1671 6 H 0.1155 -0.9376 -1.4212 H 1 UNL11111111 0.1733 7 H 2.0690 -1.2429 0.1645 H 1 UNL11111111 0.1184 8 H 1.1455 -0.4019 1.4676 H 1 UNL11111111 0.1261 9 H -0.7977 1.3980 -0.1979 H 1 UNL11111111 0.1793 10 H 2.4307 1.0785 0.2150 H 1 UNL11111111 0.3178 @BOND 1 6 3 1 2 3 5 1 3 3 1 1 4 3 4 1 5 9 1 1 6 2 10 1 7 2 4 1 8 7 4 1 9 4 8 1