@MOLECULE S-(1,1-dimethylbutyl) (1S,2S)-2-methylcyclobutanecarbothioate 36 36 0 0 0 SMALL USER_CHARGES @ATOM 1 C 3.5617 -0.0835 -0.4015 C.3 1 UNL111 -0.0650 2 H 3.4687 -1.1801 -0.5216 H 1 UNL111 0.1573 3 C 4.3152 0.5250 -1.5643 C.3 1 UNL111 -0.4557 4 C 4.0729 0.3223 1.0120 C.3 1 UNL111 -0.2958 5 C 2.6902 0.9382 1.3420 C.3 1 UNL111 -0.2525 6 C 2.1879 0.6026 -0.0922 C.3 1 UNL111 -0.2458 7 H 2.0158 1.5018 -0.7138 H 1 UNL111 0.1761 8 C 1.0194 -0.3234 -0.1230 C.2 1 UNL111 0.4491 9 O 1.0770 -1.4961 -0.3603 O.2 1 UNL111 -0.4407 10 S -0.5407 0.5266 0.2432 S.3 1 UNL111 -0.2143 11 C -1.8882 -0.7787 0.1408 C.3 1 UNL111 0.1254 12 C -1.8963 -1.4144 -1.2424 C.3 1 UNL111 -0.4745 13 C -1.6287 -1.8412 1.2070 C.3 1 UNL111 -0.4791 14 C -3.2055 -0.0517 0.4551 C.3 1 UNL111 -0.3031 15 C -3.6182 1.0228 -0.5601 C.3 1 UNL111 -0.2481 16 C -5.0098 1.5613 -0.2214 C.3 1 UNL111 -0.4420 17 H 5.3232 0.0994 -1.6473 H 1 UNL111 0.1495 18 H 3.8013 0.3337 -2.5152 H 1 UNL111 0.1516 19 H 4.4275 1.6109 -1.4628 H 1 UNL111 0.1470 20 H 4.3609 -0.5196 1.6457 H 1 UNL111 0.1429 21 H 4.8978 1.0380 1.0074 H 1 UNL111 0.1424 22 H 2.1533 0.4306 2.1493 H 1 UNL111 0.1494 23 H 2.7047 2.0073 1.5704 H 1 UNL111 0.1464 24 H -0.9910 -2.0136 -1.4278 H 1 UNL111 0.1739 25 H -2.7507 -2.0953 -1.3536 H 1 UNL111 0.1531 26 H -1.9677 -0.6788 -2.0528 H 1 UNL111 0.1567 27 H -1.5766 -1.4238 2.2196 H 1 UNL111 0.1554 28 H -2.4274 -2.5946 1.2108 H 1 UNL111 0.1529 29 H -0.6896 -2.3873 1.0277 H 1 UNL111 0.1736 30 H -4.0112 -0.8150 0.5122 H 1 UNL111 0.1495 31 H -3.1681 0.3957 1.4695 H 1 UNL111 0.1512 32 H -2.8932 1.8590 -0.5718 H 1 UNL111 0.1474 33 H -3.6166 0.6086 -1.5859 H 1 UNL111 0.1384 34 H -5.7683 0.7720 -0.2614 H 1 UNL111 0.1417 35 H -5.0369 1.9969 0.7837 H 1 UNL111 0.1433 36 H -5.3121 2.3438 -0.9263 H 1 UNL111 0.1423 @BOND 1 1 2 1 2 1 3 1 3 1 4 1 4 4 5 1 5 5 6 1 6 6 7 1 7 1 6 1 8 6 8 1 9 8 9 2 10 8 10 1 11 10 11 1 12 11 12 1 13 11 13 1 14 11 14 1 15 14 15 1 16 15 16 1 17 3 17 1 18 3 18 1 19 3 19 1 20 4 20 1 21 4 21 1 22 5 22 1 23 5 23 1 24 12 24 1 25 12 25 1 26 12 26 1 27 13 27 1 28 13 28 1 29 13 29 1 30 14 30 1 31 14 31 1 32 15 32 1 33 15 33 1 34 16 34 1 35 16 35 1 36 16 36 1