@MOLECULE S-tert-butyl 2,2-dimethylbutanethioate 32 31 0 0 0 SMALL USER_CHARGES @ATOM 1 C 4.2706 0.5497 -0.0006 C.3 1 UNL11111111 -0.4335 2 C 2.7925 0.9310 -0.0017 C.3 1 UNL11111111 -0.2613 3 C 1.8265 -0.2805 0.0003 C.3 1 UNL11111111 0.0207 4 C 2.0200 -1.1253 -1.2610 C.3 1 UNL11111111 -0.4541 5 C 2.0210 -1.1223 1.2632 C.3 1 UNL11111111 -0.4541 6 C 0.4099 0.2980 0.0001 C.2 1 UNL11111111 0.4270 7 O 0.1897 1.4760 -0.0000 O.2 1 UNL11111111 -0.4545 8 S -0.9548 -0.9011 -0.0002 S.3 1 UNL11111111 -0.2181 9 C -2.5359 0.1210 0.0001 C.3 1 UNL11111111 0.1535 10 C -2.5905 0.9840 -1.2536 C.3 1 UNL11111111 -0.4777 11 C -3.6615 -0.9119 -0.0041 C.3 1 UNL11111111 -0.4731 12 C -2.5933 0.9778 1.2578 C.3 1 UNL11111111 -0.4775 13 H 4.5404 -0.0410 0.8816 H 1 UNL11111111 0.1421 14 H 4.5438 -0.0307 -0.8886 H 1 UNL11111111 0.1421 15 H 4.9013 1.4473 0.0059 H 1 UNL11111111 0.1427 16 H 2.5734 1.5718 0.8770 H 1 UNL11111111 0.1503 17 H 2.5740 1.5670 -0.8837 H 1 UNL11111111 0.1502 18 H 3.0570 -1.4752 -1.3410 H 1 UNL11111111 0.1559 19 H 1.3894 -2.0227 -1.2684 H 1 UNL11111111 0.1601 20 H 1.7981 -0.5546 -2.1707 H 1 UNL11111111 0.1526 21 H 1.8018 -0.5489 2.1718 H 1 UNL11111111 0.1526 22 H 1.3891 -2.0187 1.2744 H 1 UNL11111111 0.1601 23 H 3.0578 -1.4734 1.3421 H 1 UNL11111111 0.1559 24 H -2.5063 0.3975 -2.1764 H 1 UNL11111111 0.1558 25 H -3.5403 1.5324 -1.3087 H 1 UNL11111111 0.1530 26 H -1.7927 1.7424 -1.2710 H 1 UNL11111111 0.1739 27 H -3.6442 -1.5616 0.8806 H 1 UNL11111111 0.1582 28 H -4.6397 -0.4109 -0.0051 H 1 UNL11111111 0.1561 29 H -3.6407 -1.5580 -0.8915 H 1 UNL11111111 0.1583 30 H -1.7972 1.7378 1.2793 H 1 UNL11111111 0.1737 31 H -3.5442 1.5238 1.3150 H 1 UNL11111111 0.1530 32 H -2.5085 0.3872 2.1780 H 1 UNL11111111 0.1559 @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 1 13 1 13 1 14 1 14 1 15 1 15 2 16 1 16 2 17 1 17 4 18 1 18 4 19 1 19 4 20 1 20 5 21 1 21 5 22 1 22 5 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 12 32 1