@MOLECULE 3,3-dimethyl-1-[(R)-[(1R)-1-methylpropyl]sulfinyl]butane 34 33 0 0 0 SMALL USER_CHARGES @ATOM 1 C 4.0552 1.2391 -0.8702 C.3 1 UNL11111111 -0.4427 2 C 3.6985 -0.0896 -0.2028 C.3 1 UNL11111111 -0.2507 3 C 2.2693 -0.5484 -0.5118 C.3 1 UNL11111111 -0.2914 4 H 2.0652 -0.4177 -1.5965 H 1 UNL11111111 0.1438 5 C 2.0957 -2.0103 -0.1239 C.3 1 UNL11111111 -0.4512 6 S 1.0763 0.5470 0.4107 S.O 1 UNL11111111 1.0208 7 O 1.0700 0.0627 1.8155 O.2 1 UNL11111111 -0.7921 8 C -0.4860 -0.0610 -0.3550 C.3 1 UNL11111111 -0.4866 9 C -1.6823 0.6508 0.2675 C.3 1 UNL11111111 -0.2785 10 C -3.0421 0.0470 -0.1689 C.3 1 UNL11111111 0.1304 11 C -3.1892 -1.3881 0.3583 C.3 1 UNL11111111 -0.4659 12 C -4.1623 0.9131 0.4382 C.3 1 UNL11111111 -0.4725 13 C -3.1803 0.0546 -1.6989 C.3 1 UNL11111111 -0.4672 14 H 5.1198 1.4670 -0.7389 H 1 UNL11111111 0.1409 15 H 3.8578 1.2181 -1.9470 H 1 UNL11111111 0.1385 16 H 3.4982 2.0811 -0.4442 H 1 UNL11111111 0.1499 17 H 4.4108 -0.8681 -0.5480 H 1 UNL11111111 0.1383 18 H 3.8637 -0.0255 0.8934 H 1 UNL11111111 0.1553 19 H 1.1363 -2.4280 -0.4487 H 1 UNL11111111 0.1413 20 H 2.8778 -2.6386 -0.5696 H 1 UNL11111111 0.1467 21 H 2.1583 -2.1522 0.9684 H 1 UNL11111111 0.1746 22 H -0.4421 0.1184 -1.4404 H 1 UNL11111111 0.1531 23 H -0.5819 -1.1519 -0.2137 H 1 UNL11111111 0.1652 24 H -1.6240 0.6037 1.3775 H 1 UNL11111111 0.1608 25 H -1.6704 1.7276 0.0092 H 1 UNL11111111 0.1380 26 H -3.0238 -1.4328 1.4411 H 1 UNL11111111 0.1524 27 H -4.1911 -1.7829 0.1604 H 1 UNL11111111 0.1448 28 H -2.4724 -2.0693 -0.1102 H 1 UNL11111111 0.1420 29 H -4.1086 1.9465 0.0834 H 1 UNL11111111 0.1411 30 H -5.1511 0.5264 0.1713 H 1 UNL11111111 0.1453 31 H -4.1031 0.9315 1.5317 H 1 UNL11111111 0.1490 32 H -2.4605 -0.6193 -2.1732 H 1 UNL11111111 0.1424 33 H -4.1794 -0.2725 -2.0062 H 1 UNL11111111 0.1432 34 H -3.0216 1.0567 -2.1086 H 1 UNL11111111 0.1411 @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 10 12 1 12 10 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 9 24 1 24 9 25 1 25 11 26 1 26 11 27 1 27 11 28 1 28 12 29 1 29 12 30 1 30 12 31 1 31 13 32 1 32 13 33 1 33 13 34 1