@MOLECULE allyl methanesulfonate 16 15 0 0 0 SMALL GASTEIGER @ATOM 1 S -1.2160 0.1097 -0.0004 S.O2 1 UNL1111111111 2.3837 2 O 0.3386 -0.4814 0.0085 O.3 1 UNL1111111111 -0.7449 3 O -1.4077 0.8033 -1.2466 O.2 1 UNL1111111111 -0.8983 4 O -1.4236 0.8018 1.2439 O.2 1 UNL1111111111 -0.8976 5 C -2.0403 -1.4453 -0.0066 C.3 1 UNL1111111111 -0.7399 6 C 1.4364 0.4157 0.0023 C.3 1 UNL1111111111 0.0410 7 C 2.6574 -0.4501 0.0027 C.2 1 UNL1111111111 -0.1232 8 C 3.8906 0.0515 -0.0028 C.2 1 UNL1111111111 -0.3471 9 H -3.1336 -1.3324 -0.0196 H 1 UNL1111111111 0.1915 10 H -1.7704 -2.0499 -0.8857 H 1 UNL1111111111 0.1954 11 H -1.7918 -2.0470 0.8805 H 1 UNL1111111111 0.1954 12 H 1.3793 1.0457 -0.9111 H 1 UNL1111111111 0.1422 13 H 1.3833 1.0509 0.9124 H 1 UNL1111111111 0.1420 14 H 2.4503 -1.5219 0.0090 H 1 UNL1111111111 0.1638 15 H 4.7792 -0.5601 -0.0011 H 1 UNL1111111111 0.1484 16 H 4.1170 1.1059 -0.0095 H 1 UNL1111111111 0.1475 @BOND 1 1 2 1 2 1 3 2 3 1 4 2 4 1 5 1 5 2 6 1 6 5 9 1 7 5 10 1 8 5 11 1 9 6 7 1 10 6 12 1 11 6 13 1 12 7 8 2 13 7 14 1 14 8 15 1 15 8 16 1