@MOLECULE (2S)-1-[(1R)-2,2-dimethylcyclobutyl]-2-methyl-butane-1-thione 32 32 0 0 0 SMALL USER_CHARGES @ATOM 1 C 3.1031 1.8240 -0.5698 C.3 1 UNL111 -0.4389 2 C 2.3738 0.4849 -0.6778 C.3 1 UNL111 -0.2517 3 C 1.3860 0.2912 0.4889 C.3 1 UNL111 -0.1341 4 H 0.8983 1.2827 0.6895 H 1 UNL111 0.1512 5 C 2.1162 -0.1409 1.7687 C.3 1 UNL111 -0.4385 6 C 0.3155 -0.7312 0.1770 C.2 1 UNL111 0.1021 7 S 0.6317 -2.1424 -0.5176 S.2 1 UNL111 -0.2198 8 C -1.0314 -0.3283 0.6532 C.3 1 UNL111 -0.2102 9 H -0.9696 -0.1243 1.7472 H 1 UNL111 0.1617 10 C -1.7260 0.8837 -0.0970 C.3 1 UNL111 0.1152 11 C -1.9447 2.0843 0.8082 C.3 1 UNL111 -0.4698 12 C -1.0857 1.3011 -1.4084 C.3 1 UNL111 -0.4731 13 C -2.9955 -0.0011 -0.2996 C.3 1 UNL111 -0.3076 14 C -2.2729 -1.2094 0.3385 C.3 1 UNL111 -0.2653 15 H 2.4057 2.6682 -0.5838 H 1 UNL111 0.1395 16 H 3.6881 1.8914 0.3538 H 1 UNL111 0.1435 17 H 3.7978 1.9600 -1.4067 H 1 UNL111 0.1439 18 H 1.8374 0.4368 -1.6454 H 1 UNL111 0.1419 19 H 3.1080 -0.3443 -0.7017 H 1 UNL111 0.1552 20 H 2.6802 -1.0708 1.6219 H 1 UNL111 0.1604 21 H 2.8339 0.6260 2.0837 H 1 UNL111 0.1504 22 H 1.4195 -0.3029 2.5977 H 1 UNL111 0.1426 23 H -0.9959 2.5545 1.0909 H 1 UNL111 0.1469 24 H -2.5519 2.8495 0.3082 H 1 UNL111 0.1538 25 H -2.4672 1.8115 1.7326 H 1 UNL111 0.1499 26 H -0.8886 0.4401 -2.0591 H 1 UNL111 0.1578 27 H -1.7421 1.9821 -1.9649 H 1 UNL111 0.1532 28 H -0.1325 1.8211 -1.2557 H 1 UNL111 0.1515 29 H -3.8760 0.3428 0.2471 H 1 UNL111 0.1410 30 H -3.2856 -0.1450 -1.3428 H 1 UNL111 0.1456 31 H -2.1013 -2.0381 -0.3568 H 1 UNL111 0.1632 32 H -2.7577 -1.6232 1.2260 H 1 UNL111 0.1387 @BOND 1 1 2 1 2 2 3 1 3 3 4 1 4 3 5 1 5 3 6 1 6 6 7 2 7 6 8 1 8 8 9 1 9 8 10 1 10 10 11 1 11 10 12 1 12 10 13 1 13 13 14 1 14 8 14 1 15 1 15 1 16 1 16 1 17 1 17 1 18 2 18 1 19 2 19 1 20 5 20 1 21 5 21 1 22 5 22 1 23 11 23 1 24 11 24 1 25 11 25 1 26 12 26 1 27 12 27 1 28 12 28 1 29 13 29 1 30 13 30 1 31 14 31 1 32 14 32 1