@MOLECULE cyclobutanecarbonyl-ethyl-methyl-sulfonium 25 25 0 0 0 SMALL USER_CHARGES @ATOM 1 C -1.9958 1.0422 -0.6413 C.3 1 UNL111 -0.2597 2 C -3.2659 0.1684 -0.8147 C.3 1 UNL111 -0.2727 3 C -2.8232 -0.7160 0.3789 C.3 1 UNL111 -0.2614 4 C -1.5634 0.1761 0.5787 C.3 1 UNL111 -0.2233 5 C -0.2671 -0.5393 0.3773 C.2 1 UNL111 0.5979 6 O -0.1554 -1.7002 0.1031 O.2 1 UNL111 -0.4756 7 S 1.1913 0.4588 0.6649 S.3 1 UNL111 -0.4814 8 C 1.5484 2.0452 -0.1552 C.3 1 UNL111 -0.2773 9 C 2.6017 -0.6635 0.1894 C.3 1 UNL111 -0.1056 10 C 2.7560 -0.8312 -1.3100 C.3 1 UNL111 -0.4621 11 H -1.3113 1.0137 -1.4930 H 1 UNL111 0.1421 12 H -2.1894 2.0892 -0.3967 H 1 UNL111 0.1434 13 H -4.2068 0.7010 -0.6612 H 1 UNL111 0.1382 14 H -3.3260 -0.3588 -1.7702 H 1 UNL111 0.1428 15 H -3.5082 -0.7212 1.2290 H 1 UNL111 0.1412 16 H -2.5996 -1.7566 0.1147 H 1 UNL111 0.1630 17 H -1.5720 0.7298 1.5370 H 1 UNL111 0.1759 18 H 0.9189 2.8078 0.3156 H 1 UNL111 0.1483 19 H 2.6012 2.2952 0.0059 H 1 UNL111 0.1436 20 H 1.3351 1.9956 -1.2249 H 1 UNL111 0.1305 21 H 3.5026 -0.2290 0.6540 H 1 UNL111 0.1375 22 H 2.3828 -1.6306 0.6823 H 1 UNL111 0.1575 23 H 1.8586 -1.2740 -1.7669 H 1 UNL111 0.1620 24 H 2.9585 0.1147 -1.8249 H 1 UNL111 0.1441 25 H 3.5902 -1.5095 -1.5396 H 1 UNL111 0.1511 @BOND 1 1 2 1 2 2 3 1 3 3 4 1 4 1 4 1 5 4 5 1 6 5 6 2 7 5 7 1 8 7 8 1 9 7 9 1 10 9 10 1 11 1 11 1 12 1 12 1 13 2 13 1 14 2 14 1 15 3 15 1 16 3 16 1 17 4 17 1 18 8 18 1 19 8 19 1 20 8 20 1 21 9 21 1 22 9 22 1 23 10 23 1 24 10 24 1 25 10 25 1