@MOLECULE [(R)-tert-butylsulfinyl]cyclopentane 29 29 0 0 0 SMALL USER_CHARGES @ATOM 1 C -1.6300 0.5277 1.0191 C.3 1 UNL111 -0.2639 2 C -3.1298 0.1734 0.9520 C.3 1 UNL111 -0.2620 3 C -3.3415 -0.6414 -0.3394 C.3 1 UNL111 -0.2632 4 C -2.0149 -0.5661 -1.1210 C.3 1 UNL111 -0.2565 5 C -0.9455 -0.3413 -0.0427 C.3 1 UNL111 -0.3049 6 S 0.5608 0.4415 -0.7814 S.O 1 UNL111 0.9585 7 O 0.5633 1.8587 -0.3219 O.2 1 UNL111 -0.7893 8 C 1.9304 -0.3885 0.2078 C.3 1 UNL111 -0.0645 9 C 1.9636 -1.8729 -0.1459 C.3 1 UNL111 -0.4632 10 C 3.2295 0.2866 -0.2300 C.3 1 UNL111 -0.4533 11 C 1.7279 -0.1910 1.7052 C.3 1 UNL111 -0.4670 12 H -1.4837 1.6107 0.8193 H 1 UNL111 0.1733 13 H -1.2162 0.3561 2.0246 H 1 UNL111 0.1323 14 H -3.4397 -0.4043 1.8365 H 1 UNL111 0.1301 15 H -3.7456 1.0873 0.9495 H 1 UNL111 0.1363 16 H -3.5951 -1.6872 -0.1028 H 1 UNL111 0.1289 17 H -4.1794 -0.2468 -0.9335 H 1 UNL111 0.1317 18 H -1.8351 -1.4803 -1.7065 H 1 UNL111 0.1292 19 H -2.0566 0.2691 -1.8447 H 1 UNL111 0.1475 20 H -0.6615 -1.3180 0.4017 H 1 UNL111 0.1451 21 H 2.1091 -2.0474 -1.2192 H 1 UNL111 0.1505 22 H 2.8021 -2.3680 0.3651 H 1 UNL111 0.1553 23 H 1.0599 -2.4102 0.1630 H 1 UNL111 0.1426 24 H 3.2184 1.3681 -0.0192 H 1 UNL111 0.1696 25 H 4.0898 -0.1291 0.3093 H 1 UNL111 0.1453 26 H 3.4350 0.1641 -1.2997 H 1 UNL111 0.1465 27 H 0.8609 -0.7346 2.0959 H 1 UNL111 0.1425 28 H 2.6011 -0.5408 2.2715 H 1 UNL111 0.1510 29 H 1.5950 0.8732 1.9603 H 1 UNL111 0.1717 @BOND 1 19 4 1 2 18 4 1 3 26 10 1 4 21 9 1 5 4 3 1 6 4 5 1 7 17 3 1 8 6 7 2 9 6 5 1 10 6 8 1 11 3 16 1 12 3 2 1 13 10 24 1 14 10 8 1 15 10 25 1 16 9 23 1 17 9 8 1 18 9 22 1 19 5 20 1 20 5 1 1 21 8 11 1 22 12 1 1 23 15 2 1 24 2 1 1 25 2 14 1 26 1 13 1 27 11 29 1 28 11 27 1 29 11 28 1