@MOLECULE S-(1,1-dimethylbutyl) (1R)-2,2-dimethylcyclobutanecarbothioate 39 39 0 0 0 SMALL USER_CHARGES @ATOM 1 C 2.9989 0.6550 0.3545 C.3 1 UNL111 0.1359 2 C 2.6038 0.1101 1.7146 C.3 1 UNL111 -0.4790 3 C 3.2398 2.1529 0.4131 C.3 1 UNL111 -0.4688 4 C 4.1535 -0.1536 -0.3196 C.3 1 UNL111 -0.3090 5 C 3.1941 -0.6132 -1.4423 C.3 1 UNL111 -0.2583 6 C 2.0457 0.2424 -0.8385 C.3 1 UNL111 -0.2641 7 H 1.7871 1.1054 -1.4807 H 1 UNL111 0.1744 8 C 0.8485 -0.5417 -0.4271 C.2 1 UNL111 0.4622 9 O 0.8290 -1.7267 -0.2500 O.2 1 UNL111 -0.4470 10 S -0.6266 0.4973 -0.2078 S.3 1 UNL111 -0.2211 11 C -1.9811 -0.6491 0.4075 C.3 1 UNL111 0.1265 12 C -2.2117 -1.7716 -0.5947 C.3 1 UNL111 -0.4749 13 C -1.5588 -1.2265 1.7577 C.3 1 UNL111 -0.4781 14 C -3.2321 0.2240 0.5990 C.3 1 UNL111 -0.3017 15 C -3.8079 0.8295 -0.6882 C.3 1 UNL111 -0.2484 16 C -5.1699 1.4709 -0.4146 C.3 1 UNL111 -0.4424 17 H 1.7136 0.6122 2.1129 H 1 UNL111 0.1581 18 H 2.3892 -0.9670 1.6800 H 1 UNL111 0.1621 19 H 3.4102 0.2529 2.4442 H 1 UNL111 0.1526 20 H 4.0203 2.4011 1.1423 H 1 UNL111 0.1501 21 H 3.5574 2.5576 -0.5545 H 1 UNL111 0.1482 22 H 2.3302 2.6911 0.7106 H 1 UNL111 0.1578 23 H 4.9931 0.4564 -0.6583 H 1 UNL111 0.1413 24 H 4.5548 -0.9635 0.2942 H 1 UNL111 0.1469 25 H 3.4901 -0.3187 -2.4514 H 1 UNL111 0.1403 26 H 2.9933 -1.6917 -1.4467 H 1 UNL111 0.1608 27 H -1.3606 -2.4697 -0.6366 H 1 UNL111 0.1753 28 H -3.0930 -2.3655 -0.3191 H 1 UNL111 0.1524 29 H -2.3784 -1.4092 -1.6166 H 1 UNL111 0.1570 30 H -1.3778 -0.4526 2.5131 H 1 UNL111 0.1542 31 H -2.3367 -1.8907 2.1576 H 1 UNL111 0.1534 32 H -0.6450 -1.8347 1.6812 H 1 UNL111 0.1711 33 H -4.0131 -0.4045 1.0790 H 1 UNL111 0.1488 34 H -3.0331 1.0341 1.3298 H 1 UNL111 0.1504 35 H -3.1212 1.5893 -1.1085 H 1 UNL111 0.1468 36 H -3.9130 0.0529 -1.4690 H 1 UNL111 0.1394 37 H -5.8929 0.7384 -0.0396 H 1 UNL111 0.1417 38 H -5.0935 2.2723 0.3283 H 1 UNL111 0.1428 39 H -5.5889 1.9083 -1.3280 H 1 UNL111 0.1424 @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 2 17 1 18 2 18 1 19 2 19 1 20 3 20 1 21 3 21 1 22 3 22 1 23 4 23 1 24 4 24 1 25 5 25 1 26 5 26 1 27 12 27 1 28 12 28 1 29 12 29 1 30 13 30 1 31 13 31 1 32 13 32 1 33 14 33 1 34 14 34 1 35 15 35 1 36 15 36 1 37 16 37 1 38 16 38 1 39 16 39 1