@MOLECULE [(1S)-2,2-dimethylcyclobutyl]-ethyl-methyl-sulfonium 29 29 0 0 0 SMALL USER_CHARGES @ATOM 1 C -1.8804 -0.0676 0.2130 C.3 1 UNL111 0.0943 2 C -2.7677 0.4119 1.3560 C.3 1 UNL111 -0.4651 3 C -1.9218 -1.5805 0.1174 C.3 1 UNL111 -0.4527 4 C -2.1781 0.6490 -1.1477 C.3 1 UNL111 -0.3084 5 C -0.7657 1.2824 -1.1393 C.3 1 UNL111 -0.3236 6 C -0.4760 0.6340 0.2394 C.3 1 UNL111 -0.0196 7 H -0.3911 1.3642 1.0628 H 1 UNL111 0.1391 8 S 1.0221 -0.4059 0.3923 S.3 1 UNL111 -0.3231 9 C 1.3216 -1.5498 -1.0143 C.3 1 UNL111 -0.3206 10 C 2.3159 0.8957 0.0549 C.3 1 UNL111 -0.1580 11 C 3.6916 0.4015 0.4672 C.3 1 UNL111 -0.4386 12 H -2.4118 0.0156 2.3159 H 1 UNL111 0.1550 13 H -2.7838 1.5042 1.4355 H 1 UNL111 0.1432 14 H -3.8026 0.0773 1.2226 H 1 UNL111 0.1462 15 H -2.9537 -1.9458 0.0649 H 1 UNL111 0.1404 16 H -1.3980 -1.9544 -0.7691 H 1 UNL111 0.1459 17 H -1.4479 -2.0455 0.9940 H 1 UNL111 0.1643 18 H -2.3652 -0.0302 -1.9807 H 1 UNL111 0.1411 19 H -2.9986 1.3673 -1.1083 H 1 UNL111 0.1409 20 H -0.1290 0.9551 -1.9644 H 1 UNL111 0.1415 21 H -0.7578 2.3754 -1.1313 H 1 UNL111 0.1401 22 H 2.3953 -1.7325 -1.1038 H 1 UNL111 0.1403 23 H 0.8176 -2.4917 -0.7735 H 1 UNL111 0.1509 24 H 0.9287 -1.1485 -1.9493 H 1 UNL111 0.1275 25 H 2.2860 1.1689 -1.0113 H 1 UNL111 0.1211 26 H 2.0235 1.7808 0.6457 H 1 UNL111 0.1345 27 H 3.7154 0.0993 1.5246 H 1 UNL111 0.1603 28 H 4.0206 -0.4659 -0.1180 H 1 UNL111 0.1438 29 H 4.4454 1.1885 0.3365 H 1 UNL111 0.1393 @BOND 1 1 2 1 2 1 3 1 3 1 4 1 4 4 5 1 5 5 6 1 6 6 7 1 7 1 6 1 8 6 8 1 9 8 9 1 10 8 10 1 11 10 11 1 12 2 12 1 13 2 13 1 14 2 14 1 15 3 15 1 16 3 16 1 17 3 17 1 18 4 18 1 19 4 19 1 20 5 20 1 21 5 21 1 22 9 22 1 23 9 23 1 24 9 24 1 25 10 25 1 26 10 26 1 27 11 27 1 28 11 28 1 29 11 29 1