@MOLECULE 1-butylsulfanyl-2,2-dimethyl-butane 33 32 0 0 0 SMALL USER_CHARGES @ATOM 1 C 5.7140 0.0948 -0.0078 C.3 1 UNL1111111 -0.4384 2 C 4.4113 -0.7045 -0.0063 C.3 1 UNL1111111 -0.2507 3 C 3.1975 0.2395 0.0006 C.3 1 UNL1111111 -0.2629 4 C 1.9065 -0.5735 0.0164 C.3 1 UNL1111111 -0.3129 5 S 0.4727 0.5839 0.0054 S.3 1 UNL1111111 -0.0597 6 C -0.9241 -0.6148 0.0108 C.3 1 UNL1111111 -0.3495 7 C -2.3075 0.0749 -0.0025 C.3 1 UNL1111111 0.1243 8 C -2.4948 0.9403 1.2497 C.3 1 UNL1111111 -0.4641 9 C -2.4737 0.9312 -1.2638 C.3 1 UNL1111111 -0.4640 10 C -3.3486 -1.0820 -0.0066 C.3 1 UNL1111111 -0.2806 11 C -4.8038 -0.6168 -0.0022 C.3 1 UNL1111111 -0.4316 12 H 5.8070 0.7110 0.8937 H 1 UNL1111111 0.1439 13 H 6.5863 -0.5672 -0.0448 H 1 UNL1111111 0.1412 14 H 5.7730 0.7656 -0.8726 H 1 UNL1111111 0.1442 15 H 4.3724 -1.3665 -0.8919 H 1 UNL1111111 0.1344 16 H 4.3790 -1.3725 0.8748 H 1 UNL1111111 0.1344 17 H 3.2563 0.9116 0.8804 H 1 UNL1111111 0.1491 18 H 3.2415 0.9016 -0.8875 H 1 UNL1111111 0.1491 19 H 1.8522 -1.2401 -0.8617 H 1 UNL1111111 0.1495 20 H 1.8577 -1.2136 0.9145 H 1 UNL1111111 0.1496 21 H -0.8264 -1.2716 -0.8716 H 1 UNL1111111 0.1511 22 H -0.8349 -1.2545 0.9063 H 1 UNL1111111 0.1512 23 H -1.7823 1.7725 1.2873 H 1 UNL1111111 0.1569 24 H -3.4950 1.3869 1.2775 H 1 UNL1111111 0.1465 25 H -2.3654 0.3566 2.1667 H 1 UNL1111111 0.1448 26 H -2.3117 0.3445 -2.1737 H 1 UNL1111111 0.1449 27 H -3.4792 1.3623 -1.3211 H 1 UNL1111111 0.1463 28 H -1.7721 1.7732 -1.2872 H 1 UNL1111111 0.1570 29 H -3.1756 -1.7205 -0.8942 H 1 UNL1111111 0.1346 30 H -3.1732 -1.7278 0.8750 H 1 UNL1111111 0.1345 31 H -5.0379 -0.0234 0.8886 H 1 UNL1111111 0.1440 32 H -5.0370 -0.0045 -0.8803 H 1 UNL1111111 0.1439 33 H -5.4868 -1.4742 -0.0115 H 1 UNL1111111 0.1391 @BOND 1 1 2 1 2 2 3 1 3 3 4 1 4 4 5 1 5 5 6 1 6 6 7 1 7 7 8 1 8 7 9 1 9 7 10 1 10 10 11 1 11 1 12 1 12 1 13 1 13 1 14 1 14 2 15 1 15 2 16 1 16 3 17 1 17 3 18 1 18 4 19 1 19 4 20 1 20 6 21 1 21 6 22 1 22 8 23 1 23 8 24 1 24 8 25 1 25 9 26 1 26 9 27 1 27 9 28 1 28 10 29 1 29 10 30 1 30 11 31 1 31 11 32 1 32 11 33 1