@MOLECULE (3,3-dimethylcyclobutanecarbonyl)-methyl-propyl-sulfonium 34 34 0 0 0 SMALL USER_CHARGES @ATOM 1 C -2.4710 1.0705 0.0039 C.3 1 UNL111 -0.2988 2 C -2.7492 -0.4654 -0.0488 C.3 1 UNL111 0.1107 3 C -3.9313 -0.9042 0.7979 C.3 1 UNL111 -0.4658 4 C -2.8425 -1.0203 -1.4591 C.3 1 UNL111 -0.4658 5 C -1.3635 -0.7212 0.6309 C.3 1 UNL111 -0.2962 6 C -1.1022 0.8097 0.6911 C.3 1 UNL111 -0.2182 7 C 0.0772 1.2582 -0.1075 C.2 1 UNL111 0.5996 8 O 0.0290 1.8525 -1.1460 O.2 1 UNL111 -0.4756 9 S 1.6693 0.9001 0.6549 S.3 1 UNL111 -0.4783 10 C 2.8743 1.7028 -0.4935 C.3 1 UNL111 -0.2990 11 C 2.2524 -0.8342 0.7907 C.3 1 UNL111 -0.1140 12 C 2.3055 -1.5680 -0.5459 C.3 1 UNL111 -0.2783 13 C 2.7173 -3.0246 -0.3208 C.3 1 UNL111 -0.4380 14 H -2.3999 1.5522 -0.9777 H 1 UNL111 0.1647 15 H -3.1761 1.6439 0.6071 H 1 UNL111 0.1442 16 H -4.8781 -0.5502 0.3733 H 1 UNL111 0.1476 17 H -3.9903 -1.9966 0.8640 H 1 UNL111 0.1462 18 H -3.8670 -0.5174 1.8212 H 1 UNL111 0.1474 19 H -1.9986 -0.6946 -2.0808 H 1 UNL111 0.1547 20 H -2.8483 -2.1160 -1.4593 H 1 UNL111 0.1460 21 H -3.7588 -0.6851 -1.9595 H 1 UNL111 0.1494 22 H -1.4172 -1.2021 1.6097 H 1 UNL111 0.1475 23 H -0.6627 -1.2916 0.0179 H 1 UNL111 0.1454 24 H -1.0505 1.2046 1.7249 H 1 UNL111 0.1779 25 H 2.5923 1.5202 -1.5343 H 1 UNL111 0.1488 26 H 2.8452 2.7801 -0.2985 H 1 UNL111 0.1569 27 H 3.8744 1.3173 -0.2912 H 1 UNL111 0.1395 28 H 3.2455 -0.7921 1.2717 H 1 UNL111 0.1407 29 H 1.5551 -1.3232 1.4955 H 1 UNL111 0.1432 30 H 1.3260 -1.5351 -1.0623 H 1 UNL111 0.1418 31 H 3.0205 -1.0809 -1.2382 H 1 UNL111 0.1428 32 H 2.7704 -3.5714 -1.2693 H 1 UNL111 0.1455 33 H 3.7024 -3.0970 0.1531 H 1 UNL111 0.1431 34 H 2.0019 -3.5511 0.3207 H 1 UNL111 0.1442 @BOND 1 1 2 1 2 2 3 1 3 2 4 1 4 2 5 1 5 5 6 1 6 1 6 1 7 6 7 1 8 7 8 2 9 7 9 1 10 9 10 1 11 9 11 1 12 11 12 1 13 12 13 1 14 1 14 1 15 1 15 1 16 3 16 1 17 3 17 1 18 3 18 1 19 4 19 1 20 4 20 1 21 4 21 1 22 5 22 1 23 5 23 1 24 6 24 1 25 10 25 1 26 10 26 1 27 10 27 1 28 11 28 1 29 11 29 1 30 12 30 1 31 12 31 1 32 13 32 1 33 13 33 1 34 13 34 1