@MOLECULE S-(1,1-dimethylbutyl) 3-methylcyclobutanecarbothioate 36 36 0 0 0 SMALL USER_CHARGES @ATOM 1 C -2.5991 -1.2540 -0.2012 C.3 1 UNL111 -0.2737 2 C -3.9192 -0.5188 -0.5822 C.3 1 UNL111 -0.0807 3 H -3.9702 -0.2685 -1.6561 H 1 UNL111 0.1381 4 C -5.1886 -1.2102 -0.1307 C.3 1 UNL111 -0.4541 5 C -3.4866 0.6927 0.2945 C.3 1 UNL111 -0.2799 6 C -2.1699 -0.0422 0.6757 C.3 1 UNL111 -0.2225 7 H -2.1104 -0.2811 1.7543 H 1 UNL111 0.1721 8 C -0.9330 0.6400 0.1900 C.2 1 UNL111 0.4477 9 O -0.9176 1.6684 -0.4242 O.2 1 UNL111 -0.4399 10 S 0.5826 -0.2553 0.6312 S.3 1 UNL111 -0.2135 11 C 2.0009 0.7571 -0.0763 C.3 1 UNL111 0.1255 12 C 1.8434 0.8790 -1.5853 C.3 1 UNL111 -0.4756 13 C 1.9922 2.1412 0.5691 C.3 1 UNL111 -0.4794 14 C 3.2888 0.0189 0.3224 C.3 1 UNL111 -0.3028 15 C 3.5132 -1.3223 -0.3883 C.3 1 UNL111 -0.2486 16 C 4.8378 -1.9441 0.0578 C.3 1 UNL111 -0.4420 17 H -2.7364 -2.1811 0.3608 H 1 UNL111 0.1498 18 H -1.9442 -1.4704 -1.0493 H 1 UNL111 0.1496 19 H -5.1593 -1.4690 0.9344 H 1 UNL111 0.1477 20 H -6.0658 -0.5701 -0.2865 H 1 UNL111 0.1474 21 H -5.3567 -2.1393 -0.6886 H 1 UNL111 0.1462 22 H -3.3408 1.6242 -0.2641 H 1 UNL111 0.1619 23 H -4.1415 0.9061 1.1416 H 1 UNL111 0.1446 24 H 0.9875 1.5154 -1.8600 H 1 UNL111 0.1733 25 H 2.7340 1.3380 -2.0351 H 1 UNL111 0.1542 26 H 1.6981 -0.0879 -2.0825 H 1 UNL111 0.1567 27 H 2.0862 2.1019 1.6610 H 1 UNL111 0.1558 28 H 2.8252 2.7512 0.1951 H 1 UNL111 0.1533 29 H 1.0736 2.7029 0.3388 H 1 UNL111 0.1744 30 H 4.1503 0.6855 0.1016 H 1 UNL111 0.1494 31 H 3.3264 -0.1325 1.4207 H 1 UNL111 0.1525 32 H 2.6854 -2.0265 -0.1803 H 1 UNL111 0.1472 33 H 3.5192 -1.1791 -1.4854 H 1 UNL111 0.1374 34 H 5.0245 -2.8900 -0.4629 H 1 UNL111 0.1423 35 H 5.6852 -1.2818 -0.1498 H 1 UNL111 0.1419 36 H 4.8378 -2.1561 1.1328 H 1 UNL111 0.1437 @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 11 13 1 14 11 14 1 15 14 15 1 16 15 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 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