@MOLECULE butyl(dimethyl)sulfonium 22 21 0 0 0 SMALL USER_CHARGES @ATOM 1 C 3.8466 -0.2304 0.3147 C.3 1 UNL111 -0.4371 2 C 2.6355 0.4549 -0.3178 C.3 1 UNL111 -0.2520 3 C 1.3478 -0.3235 -0.0047 C.3 1 UNL111 -0.2739 4 C 0.1291 0.4167 -0.5506 C.3 1 UNL111 -0.1599 5 S -1.3729 -0.0565 0.4338 S.3 1 UNL111 -0.2737 6 C -2.2194 -1.4964 -0.3442 C.3 1 UNL111 -0.3268 7 C -2.5202 1.3199 -0.0093 C.3 1 UNL111 -0.3637 8 H 4.7655 0.3365 0.1320 H 1 UNL111 0.1376 9 H 3.7305 -0.3239 1.4003 H 1 UNL111 0.1448 10 H 3.9936 -1.2380 -0.0881 H 1 UNL111 0.1410 11 H 2.5517 1.4906 0.0655 H 1 UNL111 0.1344 12 H 2.7743 0.5429 -1.4107 H 1 UNL111 0.1302 13 H 1.4069 -1.3452 -0.4228 H 1 UNL111 0.1368 14 H 1.2639 -0.4631 1.0949 H 1 UNL111 0.1651 15 H 0.2462 1.5090 -0.4468 H 1 UNL111 0.1331 16 H -0.0418 0.1883 -1.6131 H 1 UNL111 0.1202 17 H -1.5265 -2.0109 -1.0131 H 1 UNL111 0.1370 18 H -2.4971 -2.1702 0.4738 H 1 UNL111 0.1552 19 H -3.1137 -1.1987 -0.8910 H 1 UNL111 0.1293 20 H -3.0665 1.1233 -0.9311 H 1 UNL111 0.1296 21 H -3.2260 1.4266 0.8205 H 1 UNL111 0.1523 22 H -1.9552 2.2490 -0.1007 H 1 UNL111 0.1406 @BOND 1 1 2 1 2 2 3 1 3 3 4 1 4 4 5 1 5 5 6 1 6 5 7 1 7 1 8 1 8 1 9 1 9 1 10 1 10 2 11 1 11 2 12 1 12 3 13 1 13 3 14 1 14 4 15 1 15 4 16 1 16 6 17 1 17 6 18 1 18 6 19 1 19 7 20 1 20 7 21 1 21 7 22 1