@MOLECULE [(S)-2,2-dimethylpropylsulfinyl]cyclopentane 32 32 0 0 0 SMALL USER_CHARGES @ATOM 1 C -1.8942 -1.1868 0.3893 C.3 1 UNL111 -0.2697 2 C -3.4305 -1.3161 0.3560 C.3 1 UNL111 -0.2589 3 C -3.9737 0.0181 -0.1935 C.3 1 UNL111 -0.2641 4 C -2.7490 0.9115 -0.4799 C.3 1 UNL111 -0.2568 5 C -1.5599 -0.0539 -0.5876 C.3 1 UNL111 -0.3129 6 S 0.0267 0.8308 -0.2325 S.O 1 UNL111 1.0260 7 O -0.0505 1.2579 1.1889 O.2 1 UNL111 -0.7946 8 C 1.1440 -0.6315 -0.2987 C.3 1 UNL111 -0.5196 9 C 2.6304 -0.2991 -0.0669 C.3 1 UNL111 0.1613 10 C 2.8678 0.2104 1.3598 C.3 1 UNL111 -0.4754 11 C 3.4268 -1.6095 -0.2589 C.3 1 UNL111 -0.4720 12 C 3.1437 0.7330 -1.0833 C.3 1 UNL111 -0.4709 13 H -1.5657 -0.9364 1.4190 H 1 UNL111 0.1612 14 H -1.4041 -2.1346 0.1217 H 1 UNL111 0.1274 15 H -3.7421 -2.1577 -0.2826 H 1 UNL111 0.1294 16 H -3.8286 -1.5272 1.3614 H 1 UNL111 0.1366 17 H -4.5626 -0.1466 -1.1095 H 1 UNL111 0.1284 18 H -4.6517 0.5001 0.5287 H 1 UNL111 0.1356 19 H -2.8874 1.5102 -1.3928 H 1 UNL111 0.1300 20 H -2.6135 1.6316 0.3525 H 1 UNL111 0.1597 21 H -1.4879 -0.4491 -1.6221 H 1 UNL111 0.1446 22 H 0.8275 -1.3747 0.4548 H 1 UNL111 0.1655 23 H 1.0174 -1.1058 -1.2855 H 1 UNL111 0.1553 24 H 2.5093 -0.5034 2.1095 H 1 UNL111 0.1499 25 H 3.9302 0.3890 1.5496 H 1 UNL111 0.1401 26 H 2.3400 1.1548 1.5589 H 1 UNL111 0.1763 27 H 3.3163 -2.0037 -1.2725 H 1 UNL111 0.1391 28 H 4.4956 -1.4482 -0.0844 H 1 UNL111 0.1450 29 H 3.0976 -2.3832 0.4417 H 1 UNL111 0.1456 30 H 2.7315 1.7314 -0.9015 H 1 UNL111 0.1543 31 H 4.2334 0.8318 -1.0212 H 1 UNL111 0.1437 32 H 2.8993 0.4477 -2.1103 H 1 UNL111 0.1398 @BOND 1 32 12 1 2 21 5 1 3 19 4 1 4 23 8 1 5 27 11 1 6 17 3 1 7 12 31 1 8 12 30 1 9 12 9 1 10 5 4 1 11 5 6 1 12 5 1 1 13 4 3 1 14 4 20 1 15 8 6 1 16 8 9 1 17 8 22 1 18 15 2 1 19 11 28 1 20 11 9 1 21 11 29 1 22 6 7 2 23 3 2 1 24 3 18 1 25 9 10 1 26 14 1 1 27 2 1 1 28 2 16 1 29 1 13 1 30 10 25 1 31 10 26 1 32 10 24 1