@MOLECULE [(S)-isohexylsulfinyl]cyclopentane 35 35 0 0 0 SMALL USER_CHARGES @ATOM 1 C -2.5152 -1.2717 0.2829 C.3 1 UNL11111111 -0.2700 2 C -4.0191 -1.5924 0.1687 C.3 1 UNL11111111 -0.2596 3 C -4.7136 -0.2972 -0.2961 C.3 1 UNL11111111 -0.2629 4 C -3.6087 0.7684 -0.4495 C.3 1 UNL11111111 -0.2575 5 C -2.2976 -0.0203 -0.5752 C.3 1 UNL11111111 -0.3170 6 S -0.8577 1.0170 -0.0581 S.O 1 UNL11111111 1.0237 7 O -0.9765 1.2057 1.4097 O.2 1 UNL11111111 -0.7883 8 C 0.4651 -0.2419 -0.3128 C.3 1 UNL11111111 -0.4904 9 C 1.8221 0.3374 0.0764 C.3 1 UNL11111111 -0.2473 10 C 2.9296 -0.6964 -0.1819 C.3 1 UNL11111111 -0.2894 11 C 4.3101 -0.1722 0.2567 C.3 1 UNL11111111 -0.0624 12 C 5.3180 -1.3292 0.2733 C.3 1 UNL11111111 -0.4581 13 C 4.8077 0.9349 -0.6804 C.3 1 UNL11111111 -0.4562 14 H -2.2559 -1.0796 1.3448 H 1 UNL11111111 0.1636 15 H -1.8972 -2.1208 -0.0446 H 1 UNL11111111 0.1279 16 H -4.1941 -2.4092 -0.5494 H 1 UNL11111111 0.1300 17 H -4.4215 -1.9374 1.1346 H 1 UNL11111111 0.1373 18 H -5.2424 -0.4567 -1.2487 H 1 UNL11111111 0.1286 19 H -5.4762 0.0292 0.4289 H 1 UNL11111111 0.1356 20 H -3.7907 1.4188 -1.3185 H 1 UNL11111111 0.1303 21 H -3.6049 1.4261 0.4426 H 1 UNL11111111 0.1570 22 H -2.1328 -0.3077 -1.6346 H 1 UNL11111111 0.1453 23 H 0.2588 -1.1457 0.2868 H 1 UNL11111111 0.1630 24 H 0.4600 -0.5539 -1.3688 H 1 UNL11111111 0.1535 25 H 2.0397 1.2642 -0.4892 H 1 UNL11111111 0.1392 26 H 1.8276 0.6277 1.1492 H 1 UNL11111111 0.1572 27 H 2.6998 -1.6305 0.3659 H 1 UNL11111111 0.1391 28 H 2.9542 -0.9722 -1.2511 H 1 UNL11111111 0.1345 29 H 4.2258 0.2432 1.2905 H 1 UNL11111111 0.1345 30 H 5.4213 -1.7861 -0.7164 H 1 UNL11111111 0.1427 31 H 6.3110 -0.9845 0.5814 H 1 UNL11111111 0.1451 32 H 5.0124 -2.1153 0.9719 H 1 UNL11111111 0.1438 33 H 4.1217 1.7884 -0.6928 H 1 UNL11111111 0.1427 34 H 5.7885 1.3075 -0.3655 H 1 UNL11111111 0.1429 35 H 4.9068 0.5749 -1.7094 H 1 UNL11111111 0.1412 @BOND 1 35 13 1 2 22 5 1 3 24 8 1 4 20 4 1 5 28 10 1 6 18 3 1 7 30 12 1 8 13 33 1 9 13 34 1 10 13 11 1 11 16 2 1 12 5 4 1 13 5 6 1 14 5 1 1 15 25 9 1 16 4 3 1 17 4 21 1 18 8 6 1 19 8 9 1 20 8 23 1 21 3 2 1 22 3 19 1 23 10 9 1 24 10 11 1 25 10 27 1 26 15 1 1 27 6 7 2 28 9 26 1 29 2 1 1 30 2 17 1 31 12 11 1 32 12 31 1 33 12 32 1 34 11 29 1 35 1 14 1