@MOLECULE dimethyl-(3-methylcyclobutanecarbonyl)sulfonium 25 25 0 0 0 SMALL USER_CHARGES @ATOM 1 C -1.4145 -1.2164 0.0334 C.3 1 UNL111 -0.2827 2 C -2.7881 -0.4810 -0.0192 C.3 1 UNL111 -0.0786 3 H -3.5733 -1.0791 -0.5104 H 1 UNL111 0.1321 4 C -3.2694 0.0527 1.3143 C.3 1 UNL111 -0.4542 5 C -2.1666 0.5931 -0.9594 C.3 1 UNL111 -0.2828 6 C -0.8013 -0.1493 -0.9189 C.3 1 UNL111 -0.2233 7 H -0.4972 -0.5551 -1.9020 H 1 UNL111 0.1746 8 C 0.3009 0.6369 -0.2862 C.2 1 UNL111 0.5887 9 O 0.1906 1.7382 0.1733 O.2 1 UNL111 -0.4756 10 S 1.9023 -0.1644 -0.3162 S.3 1 UNL111 -0.4212 11 C 2.2571 -1.8258 0.3377 C.3 1 UNL111 -0.2905 12 C 2.9629 0.9517 0.7097 C.3 1 UNL111 -0.3095 13 H -0.9662 -1.2614 1.0289 H 1 UNL111 0.1463 14 H -1.4248 -2.2277 -0.3779 H 1 UNL111 0.1427 15 H -2.5102 0.6807 1.7999 H 1 UNL111 0.1569 16 H -4.1676 0.6703 1.1949 H 1 UNL111 0.1477 17 H -3.5152 -0.7599 2.0070 H 1 UNL111 0.1444 18 H -2.6188 0.6499 -1.9509 H 1 UNL111 0.1410 19 H -2.1417 1.6056 -0.5392 H 1 UNL111 0.1667 20 H 1.9207 -1.9297 1.3714 H 1 UNL111 0.1315 21 H 1.7369 -2.5519 -0.2967 H 1 UNL111 0.1480 22 H 3.3356 -2.0016 0.2747 H 1 UNL111 0.1457 23 H 2.8499 0.7292 1.7719 H 1 UNL111 0.1376 24 H 4.0019 0.8188 0.3985 H 1 UNL111 0.1471 25 H 2.6514 1.9869 0.5193 H 1 UNL111 0.1677 @BOND 1 1 2 1 2 2 3 1 3 2 4 1 4 2 5 1 5 5 6 1 6 6 7 1 7 1 6 1 8 6 8 1 9 8 9 2 10 8 10 1 11 10 11 1 12 10 12 1 13 1 13 1 14 1 14 1 15 4 15 1 16 4 16 1 17 4 17 1 18 5 18 1 19 5 19 1 20 11 20 1 21 11 21 1 22 11 22 1 23 12 23 1 24 12 24 1 25 12 25 1