@MOLECULE S-(2,2-dimethylbutyl) 3-methylbutanethioate 35 34 0 0 0 SMALL USER_CHARGES @ATOM 1 C -3.9375 0.3135 -0.1343 C.3 1 UNL11111111 -0.0375 2 C -5.2408 -0.4118 -0.4827 C.3 1 UNL11111111 -0.4585 3 C -3.9546 0.7674 1.3283 C.3 1 UNL11111111 -0.4584 4 C -2.7375 -0.6235 -0.3912 C.3 1 UNL11111111 -0.3867 5 C -1.4568 0.1473 -0.3361 C.2 1 UNL11111111 0.4464 6 O -1.3315 1.2938 -0.6628 O.2 1 UNL11111111 -0.4427 7 S -0.0306 -0.8066 0.2631 S.3 1 UNL11111111 -0.1319 8 C 1.2965 0.4613 0.2304 C.3 1 UNL11111111 -0.3351 9 C 2.7100 -0.1274 0.0332 C.3 1 UNL11111111 0.1199 10 C 3.0473 -1.1112 1.1603 C.3 1 UNL11111111 -0.4673 11 C 2.8237 -0.8238 -1.3278 C.3 1 UNL11111111 -0.4652 12 C 3.6725 1.0938 0.0872 C.3 1 UNL11111111 -0.2794 13 C 5.1469 0.7423 -0.1021 C.3 1 UNL11111111 -0.4315 14 H -3.8352 1.2146 -0.7916 H 1 UNL11111111 0.1511 15 H -6.1086 0.2354 -0.3096 H 1 UNL11111111 0.1478 16 H -5.2666 -0.7131 -1.5352 H 1 UNL11111111 0.1432 17 H -5.3796 -1.3107 0.1273 H 1 UNL11111111 0.1457 18 H -4.0248 -0.0797 2.0183 H 1 UNL11111111 0.1454 19 H -3.0469 1.3294 1.5810 H 1 UNL11111111 0.1522 20 H -4.8071 1.4262 1.5278 H 1 UNL11111111 0.1468 21 H -2.7648 -1.4684 0.3271 H 1 UNL11111111 0.1770 22 H -2.8327 -1.0904 -1.3971 H 1 UNL11111111 0.1782 23 H 1.0724 1.1898 -0.5762 H 1 UNL11111111 0.1776 24 H 1.2472 1.0265 1.1798 H 1 UNL11111111 0.1620 25 H 2.4396 -2.0214 1.1124 H 1 UNL11111111 0.1525 26 H 4.0929 -1.4352 1.1033 H 1 UNL11111111 0.1485 27 H 2.8970 -0.6621 2.1476 H 1 UNL11111111 0.1468 28 H 2.5715 -0.1455 -2.1497 H 1 UNL11111111 0.1475 29 H 3.8424 -1.1890 -1.5014 H 1 UNL11111111 0.1475 30 H 2.1629 -1.6943 -1.4045 H 1 UNL11111111 0.1545 31 H 3.3725 1.8239 -0.6898 H 1 UNL11111111 0.1390 32 H 3.5456 1.6111 1.0580 H 1 UNL11111111 0.1367 33 H 5.5094 0.0703 0.6833 H 1 UNL11111111 0.1427 34 H 5.3292 0.2549 -1.0663 H 1 UNL11111111 0.1441 35 H 5.7688 1.6451 -0.0706 H 1 UNL11111111 0.1411 @BOND 1 1 2 1 2 1 3 1 3 1 4 1 4 4 5 1 5 5 6 2 6 5 7 1 7 7 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 2 15 1 15 2 16 1 16 2 17 1 17 3 18 1 18 3 19 1 19 3 20 1 20 4 21 1 21 4 22 1 22 8 23 1 23 8 24 1 24 10 25 1 25 10 26 1 26 10 27 1 27 11 28 1 28 11 29 1 29 11 30 1 30 12 31 1 31 12 32 1 32 13 33 1 33 13 34 1 34 13 35 1