@MOLECULE 2,2-dimethyl-1-[(R)-[(1R)-1-methylpropyl]sulfinyl]butane 34 33 0 0 0 SMALL USER_CHARGES @ATOM 1 C -3.6791 1.6136 0.5325 C.3 1 UNL1111111 -0.4422 2 C -3.5081 0.1297 0.2049 C.3 1 UNL1111111 -0.2509 3 C -2.1604 -0.4304 0.6725 C.3 1 UNL1111111 -0.2908 4 H -1.9459 -0.0673 1.7009 H 1 UNL1111111 0.1436 5 C -2.1886 -1.9520 0.6540 C.3 1 UNL1111111 -0.4520 6 S -0.8239 0.2428 -0.4410 S.O 1 UNL1111111 1.0354 7 O -0.9351 -0.5163 -1.7150 O.2 1 UNL1111111 -0.7982 8 C 0.6293 -0.4497 0.4563 C.3 1 UNL1111111 -0.5282 9 C 1.9794 0.1630 0.0227 C.3 1 UNL1111111 0.1400 10 C 2.2942 -0.2099 -1.4301 C.3 1 UNL1111111 -0.4713 11 C 1.9655 1.6903 0.1849 C.3 1 UNL1111111 -0.4680 12 C 3.0495 -0.4472 0.9748 C.3 1 UNL1111111 -0.2799 13 C 4.4893 -0.0868 0.6116 C.3 1 UNL1111111 -0.4359 14 H -3.0032 2.2484 -0.0516 H 1 UNL1111111 0.1502 15 H -4.6990 1.9467 0.3064 H 1 UNL1111111 0.1403 16 H -3.4979 1.8189 1.5927 H 1 UNL1111111 0.1381 17 H -4.3270 -0.4434 0.6880 H 1 UNL1111111 0.1378 18 H -3.6505 -0.0425 -0.8832 H 1 UNL1111111 0.1568 19 H -2.2856 -2.3441 -0.3725 H 1 UNL1111111 0.1735 20 H -1.2891 -2.4014 1.0887 H 1 UNL1111111 0.1415 21 H -3.0413 -2.3439 1.2236 H 1 UNL1111111 0.1465 22 H 0.4782 -0.2943 1.5355 H 1 UNL1111111 0.1527 23 H 0.6633 -1.5419 0.2906 H 1 UNL1111111 0.1694 24 H 1.4933 0.0861 -2.1221 H 1 UNL1111111 0.1709 25 H 3.2107 0.2749 -1.7798 H 1 UNL1111111 0.1429 26 H 2.4209 -1.2916 -1.5494 H 1 UNL1111111 0.1489 27 H 1.6361 1.9883 1.1844 H 1 UNL1111111 0.1392 28 H 2.9668 2.1099 0.0330 H 1 UNL1111111 0.1453 29 H 1.3147 2.1779 -0.5489 H 1 UNL1111111 0.1528 30 H 2.8399 -0.1181 2.0098 H 1 UNL1111111 0.1301 31 H 2.9458 -1.5494 0.9775 H 1 UNL1111111 0.1359 32 H 4.7839 -0.5245 -0.3494 H 1 UNL1111111 0.1474 33 H 4.6343 0.9960 0.5399 H 1 UNL1111111 0.1405 34 H 5.1885 -0.4598 1.3685 H 1 UNL1111111 0.1378 @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 9 11 1 11 9 12 1 12 12 13 1 13 1 14 1 14 1 15 1 15 1 16 1 16 2 17 1 17 2 18 1 18 5 19 1 19 5 20 1 20 5 21 1 21 8 22 1 22 8 23 1 23 10 24 1 24 10 25 1 25 10 26 1 26 11 27 1 27 11 28 1 28 11 29 1 29 12 30 1 30 12 31 1 31 13 32 1 32 13 33 1 33 13 34 1