@MOLECULE S-(3,3-dimethylbutyl) 3-methylcyclobutanecarbothioate 36 36 0 0 0 SMALL USER_CHARGES @ATOM 1 C -3.3005 -0.9885 -0.3829 C.3 1 UNL1111111 -0.2757 2 C -4.4378 0.0405 -0.6591 C.3 1 UNL1111111 -0.0805 3 H -4.4280 0.4172 -1.6965 H 1 UNL1111111 0.1380 4 C -5.8247 -0.4286 -0.2701 C.3 1 UNL1111111 -0.4535 5 C -3.7736 1.0282 0.3441 C.3 1 UNL1111111 -0.2787 6 C -2.6511 -0.0082 0.6353 C.3 1 UNL1111111 -0.2237 7 H -2.6771 -0.3817 1.6777 H 1 UNL1111111 0.1722 8 C -1.2826 0.4532 0.2658 C.2 1 UNL1111111 0.4306 9 O -0.9927 1.5637 -0.0781 O.2 1 UNL1111111 -0.4310 10 S -0.0125 -0.8391 0.3969 S.3 1 UNL1111111 -0.1405 11 C 1.4918 0.0838 -0.1252 C.3 1 UNL1111111 -0.2848 12 C 2.7273 -0.7441 0.1991 C.3 1 UNL1111111 -0.2990 13 C 4.0474 0.0089 -0.1126 C.3 1 UNL1111111 0.1313 14 C 4.1936 1.2398 0.7938 C.3 1 UNL1111111 -0.4670 15 C 5.2158 -0.9559 0.1645 C.3 1 UNL1111111 -0.4698 16 C 4.0959 0.4409 -1.5850 C.3 1 UNL1111111 -0.4674 17 H -3.6322 -1.9319 0.0580 H 1 UNL1111111 0.1497 18 H -2.6913 -1.2260 -1.2590 H 1 UNL1111111 0.1505 19 H -5.8563 -0.8095 0.7578 H 1 UNL1111111 0.1477 20 H -6.5549 0.3871 -0.3388 H 1 UNL1111111 0.1478 21 H -6.1713 -1.2352 -0.9278 H 1 UNL1111111 0.1465 22 H -3.4192 1.9619 -0.1069 H 1 UNL1111111 0.1618 23 H -4.3848 1.2846 1.2114 H 1 UNL1111111 0.1454 24 H 1.4221 0.2999 -1.2078 H 1 UNL1111111 0.1638 25 H 1.5132 1.0652 0.3882 H 1 UNL1111111 0.1714 26 H 2.7376 -1.0366 1.2691 H 1 UNL1111111 0.1510 27 H 2.7190 -1.6934 -0.3741 H 1 UNL1111111 0.1477 28 H 4.1341 0.9667 1.8521 H 1 UNL1111111 0.1456 29 H 5.1573 1.7356 0.6347 H 1 UNL1111111 0.1473 30 H 3.4127 1.9824 0.6005 H 1 UNL1111111 0.1473 31 H 5.1604 -1.8470 -0.4687 H 1 UNL1111111 0.1444 32 H 6.1799 -0.4749 -0.0311 H 1 UNL1111111 0.1474 33 H 5.2220 -1.2895 1.2068 H 1 UNL1111111 0.1446 34 H 3.3466 1.2080 -1.8078 H 1 UNL1111111 0.1473 35 H 5.0737 0.8642 -1.8402 H 1 UNL1111111 0.1475 36 H 3.9174 -0.4049 -2.2567 H 1 UNL1111111 0.1451 @BOND 1 1 2 1 2 2 3 1 3 2 4 1 4 2 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 12 13 1 14 13 14 1 15 13 15 1 16 13 16 1 17 1 17 1 18 1 18 1 19 4 19 1 20 4 20 1 21 4 21 1 22 5 22 1 23 5 23 1 24 11 24 1 25 11 25 1 26 12 26 1 27 12 27 1 28 14 28 1 29 14 29 1 30 14 30 1 31 15 31 1 32 15 32 1 33 15 33 1 34 16 34 1 35 16 35 1 36 16 36 1