@MOLECULE S-(3,3-dimethylbutyl) 2,2-dimethylbutanethioate 38 37 0 0 0 SMALL USER_CHARGES @ATOM 1 C 5.2631 -0.7941 0.0015 C.3 1 UNL111111111111 -0.4338 2 C 3.7623 -1.0701 0.0047 C.3 1 UNL111111111111 -0.2620 3 C 2.8832 0.2059 -0.0015 C.3 1 UNL111111111111 0.0202 4 C 3.1351 1.0412 1.2558 C.3 1 UNL111111111111 -0.4547 5 C 3.1310 1.0273 -1.2690 C.3 1 UNL111111111111 -0.4547 6 C 1.4337 -0.2729 0.0019 C.2 1 UNL111111111111 0.4121 7 O 1.1219 -1.4307 0.0028 O.2 1 UNL111111111111 -0.4493 8 S 0.1161 0.9814 0.0032 S.3 1 UNL111111111111 -0.1402 9 C -1.3636 -0.1168 -0.0003 C.3 1 UNL111111111111 -0.2814 10 C -2.6293 0.7274 -0.0046 C.3 1 UNL111111111111 -0.3000 11 C -3.9166 -0.1390 -0.0004 C.3 1 UNL111111111111 0.1316 12 C -3.9811 -1.0114 1.2612 C.3 1 UNL111111111111 -0.4672 13 C -5.1248 0.8162 -0.0100 C.3 1 UNL111111111111 -0.4695 14 C -3.9765 -1.0310 -1.2486 C.3 1 UNL111111111111 -0.4672 15 H 5.5778 -0.2307 0.8864 H 1 UNL111111111111 0.1422 16 H 5.8290 -1.7342 -0.0020 H 1 UNL111111111111 0.1435 17 H 5.5738 -0.2273 -0.8827 H 1 UNL111111111111 0.1423 18 H 3.4986 -1.6965 -0.8722 H 1 UNL111111111111 0.1509 19 H 3.5002 -1.6870 0.8890 H 1 UNL111111111111 0.1508 20 H 4.1928 1.3246 1.3305 H 1 UNL111111111111 0.1565 21 H 2.5624 1.9763 1.2627 H 1 UNL111111111111 0.1588 22 H 2.8827 0.4883 2.1687 H 1 UNL111111111111 0.1534 23 H 2.8823 0.4611 -2.1747 H 1 UNL111111111111 0.1534 24 H 2.5524 1.9587 -1.2883 H 1 UNL111111111111 0.1589 25 H 4.1867 1.3165 -1.3469 H 1 UNL111111111111 0.1564 26 H -1.3150 -0.7797 -0.8854 H 1 UNL111111111111 0.1677 27 H -1.3197 -0.7792 0.8854 H 1 UNL111111111111 0.1677 28 H -2.6554 1.4007 0.8761 H 1 UNL111111111111 0.1489 29 H -2.6549 1.3906 -0.8929 H 1 UNL111111111111 0.1489 30 H -3.8666 -0.4110 2.1694 H 1 UNL111111111111 0.1453 31 H -4.9408 -1.5352 1.3304 H 1 UNL111111111111 0.1474 32 H -3.1966 -1.7756 1.2673 H 1 UNL111111111111 0.1474 33 H -5.1261 1.4516 -0.9012 H 1 UNL111111111111 0.1443 34 H -6.0686 0.2610 -0.0033 H 1 UNL111111111111 0.1470 35 H -5.1248 1.4713 0.8669 H 1 UNL111111111111 0.1443 36 H -3.1890 -1.7921 -1.2424 H 1 UNL111111111111 0.1474 37 H -4.9341 -1.5595 -1.3105 H 1 UNL111111111111 0.1474 38 H -3.8635 -0.4439 -2.1657 H 1 UNL111111111111 0.1452 @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 11 12 1 12 11 13 1 13 11 14 1 14 1 15 1 15 1 16 1 16 1 17 1 17 2 18 1 18 2 19 1 19 4 20 1 20 4 21 1 21 4 22 1 22 5 23 1 23 5 24 1 24 5 25 1 25 9 26 1 26 9 27 1 27 10 28 1 28 10 29 1 29 12 30 1 30 12 31 1 31 12 32 1 32 13 33 1 33 13 34 1 34 13 35 1 35 14 36 1 36 14 37 1 37 14 38 1