@MOLECULE [(S)-[(1S)-1-methylpropyl]sulfinyl]cyclopentane 29 29 0 0 0 SMALL USER_CHARGES @ATOM 1 C 2.0994 1.5292 1.5404 C.3 1 UNL11 -0.4465 2 C 2.6717 0.4974 0.5681 C.3 1 UNL11 -0.2525 3 C 1.7307 -0.6811 0.3120 C.3 1 UNL11 -0.2920 4 H 1.2726 -1.0097 1.2699 H 1 UNL11 0.1442 5 C 2.5005 -1.8449 -0.3047 C.3 1 UNL11 -0.4394 6 S 0.3514 -0.2427 -0.8664 S.O 1 UNL11 0.9923 7 O 0.7595 1.0066 -1.5629 O.2 1 UNL11 -0.7897 8 C -0.9282 0.2737 0.3749 C.3 1 UNL11 -0.3124 9 C -2.0212 1.1128 -0.3061 C.3 1 UNL11 -0.2560 10 C -3.2756 0.2256 -0.3619 C.3 1 UNL11 -0.2611 11 C -3.1260 -0.7520 0.8139 C.3 1 UNL11 -0.2579 12 C -1.6078 -0.9648 0.9808 C.3 1 UNL11 -0.2637 13 H 2.8769 2.2367 1.8553 H 1 UNL11 0.1471 14 H 1.3089 2.1295 1.0707 H 1 UNL11 0.1556 15 H 1.6951 1.0663 2.4451 H 1 UNL11 0.1350 16 H 2.9352 1.0019 -0.3894 H 1 UNL11 0.1680 17 H 3.6333 0.1160 0.9687 H 1 UNL11 0.1354 18 H 2.9982 -1.5618 -1.2429 H 1 UNL11 0.1565 19 H 3.2907 -2.1929 0.3747 H 1 UNL11 0.1462 20 H 1.8641 -2.7124 -0.5160 H 1 UNL11 0.1439 21 H -0.4452 0.8784 1.1687 H 1 UNL11 0.1506 22 H -2.2190 2.0266 0.2841 H 1 UNL11 0.1381 23 H -1.7350 1.4814 -1.3089 H 1 UNL11 0.1616 24 H -4.1997 0.8179 -0.2924 H 1 UNL11 0.1303 25 H -3.3263 -0.3198 -1.3200 H 1 UNL11 0.1371 26 H -3.5616 -0.3242 1.7325 H 1 UNL11 0.1330 27 H -3.6533 -1.6995 0.6311 H 1 UNL11 0.1282 28 H -1.3092 -1.9063 0.4866 H 1 UNL11 0.1368 29 H -1.3420 -1.0869 2.0441 H 1 UNL11 0.1316 @BOND 1 1 2 1 2 2 3 1 3 3 4 1 4 3 5 1 5 3 6 1 6 6 7 2 7 6 8 1 8 8 9 1 9 9 10 1 10 10 11 1 11 11 12 1 12 8 12 1 13 1 13 1 14 1 14 1 15 1 15 1 16 2 16 1 17 2 17 1 18 5 18 1 19 5 19 1 20 5 20 1 21 8 21 1 22 9 22 1 23 9 23 1 24 10 24 1 25 10 25 1 26 11 26 1 27 11 27 1 28 12 28 1 29 12 29 1