@MOLECULE 1-(3,3-dimethylcyclobutyl)-3-methyl-butane-1-thione 32 32 0 0 0 SMALL USER_CHARGES @ATOM 1 C -1.3638 1.0103 -0.6980 C.3 1 UNL1111111 -0.3072 2 C -2.6778 0.4121 -0.1018 C.3 1 UNL1111111 0.1091 3 C -3.6343 1.4646 0.4332 C.3 1 UNL1111111 -0.4647 4 C -3.3851 -0.5530 -1.0372 C.3 1 UNL1111111 -0.4647 5 C -1.8354 -0.2939 1.0070 C.3 1 UNL1111111 -0.3007 6 C -0.5333 0.3365 0.4393 C.3 1 UNL1111111 -0.1703 7 C 0.5653 -0.5374 -0.0521 C.2 1 UNL1111111 0.1169 8 S 0.6460 -2.1200 0.1994 S.2 1 UNL1111111 -0.2201 9 C 1.6301 0.1980 -0.8107 C.3 1 UNL1111111 -0.3415 10 C 2.9358 0.3407 0.0068 C.3 1 UNL1111111 -0.0377 11 C 4.0029 1.0055 -0.8720 C.3 1 UNL1111111 -0.4581 12 C 2.7088 1.1706 1.2737 C.3 1 UNL1111111 -0.4610 13 H -1.1300 0.6559 -1.7041 H 1 UNL1111111 0.1468 14 H -1.3184 2.1000 -0.7027 H 1 UNL1111111 0.1428 15 H -4.0836 2.0447 -0.3811 H 1 UNL1111111 0.1473 16 H -4.4529 1.0060 1.0007 H 1 UNL1111111 0.1491 17 H -3.1299 2.1726 1.1008 H 1 UNL1111111 0.1466 18 H -2.7032 -1.3243 -1.4167 H 1 UNL1111111 0.1540 19 H -4.2061 -1.0707 -0.5272 H 1 UNL1111111 0.1497 20 H -3.8079 -0.0332 -1.9042 H 1 UNL1111111 0.1468 21 H -2.0701 0.0168 2.0270 H 1 UNL1111111 0.1425 22 H -1.8903 -1.3858 0.9800 H 1 UNL1111111 0.1657 23 H -0.1115 1.0875 1.1439 H 1 UNL1111111 0.1608 24 H 1.8615 -0.3232 -1.7658 H 1 UNL1111111 0.1688 25 H 1.2841 1.2073 -1.1165 H 1 UNL1111111 0.1567 26 H 3.2972 -0.6766 0.2981 H 1 UNL1111111 0.1467 27 H 3.6911 2.0007 -1.2052 H 1 UNL1111111 0.1448 28 H 4.9447 1.1251 -0.3250 H 1 UNL1111111 0.1467 29 H 4.2181 0.4069 -1.7638 H 1 UNL1111111 0.1451 30 H 2.0188 0.6723 1.9639 H 1 UNL1111111 0.1464 31 H 3.6488 1.3237 1.8171 H 1 UNL1111111 0.1484 32 H 2.3002 2.1598 1.0429 H 1 UNL1111111 0.1447 @BOND 1 1 2 1 2 2 3 1 3 2 4 1 4 2 5 1 5 5 6 1 6 1 6 1 7 6 7 1 8 7 8 2 9 7 9 1 10 9 10 1 11 10 11 1 12 10 12 1 13 1 13 1 14 1 14 1 15 3 15 1 16 3 16 1 17 3 17 1 18 4 18 1 19 4 19 1 20 4 20 1 21 5 21 1 22 5 22 1 23 6 23 1 24 9 24 1 25 9 25 1 26 10 26 1 27 11 27 1 28 11 28 1 29 11 29 1 30 12 30 1 31 12 31 1 32 12 32 1