@MOLECULE methyl tosylate 22 22 0 0 0 SMALL GASTEIGER @ATOM 1 S 1.4778 0.0042 -0.4009 S.O2 1 UNL1111111111 2.3539 2 O 2.0476 -0.0147 1.1665 O.3 1 UNL1111111111 -0.6918 3 O 1.8899 -1.2433 -0.9975 O.2 1 UNL1111111111 -0.9000 4 O 1.8840 1.2672 -0.9665 O.2 1 UNL1111111111 -0.9005 5 C -0.2443 -0.0011 -0.1326 C.ar 1 UNL1111111111 -0.4158 6 C -3.0271 -0.0012 0.1481 C.ar 1 UNL1111111111 0.1113 7 C -0.9416 -1.2090 -0.0671 C.ar 1 UNL1111111111 -0.0370 8 C -0.9409 1.2069 -0.0581 C.ar 1 UNL1111111111 -0.0377 9 C -2.3270 -1.2094 0.0706 C.ar 1 UNL1111111111 -0.2256 10 C -2.3262 1.2074 0.0799 C.ar 1 UNL1111111111 -0.2254 11 C -4.5079 -0.0019 0.3160 C.3 1 UNL1111111111 -0.4749 12 C 3.4489 -0.0115 1.3300 C.3 1 UNL1111111111 -0.1148 13 H -0.4104 -2.1668 -0.1371 H 1 UNL1111111111 0.1716 14 H -0.4070 2.1634 -0.1255 H 1 UNL1111111111 0.1722 15 H -2.8654 -2.1533 0.1120 H 1 UNL1111111111 0.1579 16 H -2.8648 2.1513 0.1257 H 1 UNL1111111111 0.1580 17 H -4.9838 0.8799 -0.1348 H 1 UNL1111111111 0.1630 18 H -4.9845 -0.8853 -0.1300 H 1 UNL1111111111 0.1629 19 H -4.7786 0.0000 1.3857 H 1 UNL1111111111 0.1696 20 H 3.8892 0.8937 0.8971 H 1 UNL1111111111 0.1321 21 H 3.8891 -0.9223 0.9004 H 1 UNL1111111111 0.1326 22 H 3.5876 -0.0067 2.4172 H 1 UNL1111111111 0.1382 @BOND 1 1 2 1 2 1 3 2 3 1 4 2 4 1 5 1 5 2 12 1 6 5 7 ar 7 5 8 ar 8 6 9 ar 9 6 10 ar 10 6 11 1 11 7 9 ar 12 7 13 1 13 8 10 ar 14 8 14 1 15 9 15 1 16 10 16 1 17 11 17 1 18 11 18 1 19 11 19 1 20 12 20 1 21 12 21 1 22 12 22 1