@MOLECULE (2R)-2-[(R)-2,2-dimethylbutylsulfinyl]-1,1-dimethyl-cyclobutane 38 38 0 0 0 SMALL USER_CHARGES @ATOM 1 C 4.9977 0.7432 -0.0143 C.3 1 UNL111 -0.4368 2 C 3.5267 1.1568 0.0048 C.3 1 UNL111 -0.2807 3 C 2.5274 -0.0302 -0.1237 C.3 1 UNL111 0.1421 4 C 2.7156 -0.7168 -1.4845 C.3 1 UNL111 -0.4679 5 C 2.7632 -1.0310 1.0124 C.3 1 UNL111 -0.4721 6 C 1.1172 0.5906 -0.0155 C.3 1 UNL111 -0.5241 7 S -0.2578 -0.6226 -0.2298 S.O 1 UNL111 1.0605 8 O -0.3779 -1.3363 1.0695 O.2 1 UNL111 -0.8052 9 C -1.6051 0.6120 -0.3128 C.3 1 UNL111 -0.3832 10 H -1.4343 1.2109 -1.2217 H 1 UNL111 0.1516 11 C -3.0846 0.0879 -0.2418 C.3 1 UNL111 0.1310 12 C -3.8874 0.4773 -1.4775 C.3 1 UNL111 -0.4715 13 C -3.2904 -1.3782 0.0860 C.3 1 UNL111 -0.4778 14 C -3.3340 1.0269 0.9842 C.3 1 UNL111 -0.3057 15 C -1.8544 1.4802 0.9421 C.3 1 UNL111 -0.2708 16 H 5.6504 1.6210 0.0548 H 1 UNL111 0.1381 17 H 5.2439 0.0871 0.8287 H 1 UNL111 0.1475 18 H 5.2610 0.2125 -0.9351 H 1 UNL111 0.1401 19 H 3.3187 1.7014 0.9461 H 1 UNL111 0.1365 20 H 3.3405 1.8778 -0.8127 H 1 UNL111 0.1296 21 H 3.7515 -1.0498 -1.6159 H 1 UNL111 0.1444 22 H 2.0920 -1.6115 -1.5863 H 1 UNL111 0.1527 23 H 2.4819 -0.0430 -2.3137 H 1 UNL111 0.1390 24 H 2.6948 -0.5491 1.9940 H 1 UNL111 0.1496 25 H 2.0229 -1.8437 1.0169 H 1 UNL111 0.1733 26 H 3.7484 -1.5005 0.9373 H 1 UNL111 0.1411 27 H 1.0123 1.0752 0.9718 H 1 UNL111 0.1669 28 H 0.9996 1.3821 -0.7715 H 1 UNL111 0.1531 29 H -3.5420 -0.0661 -2.3639 H 1 UNL111 0.1470 30 H -4.9508 0.2455 -1.3448 H 1 UNL111 0.1489 31 H -3.8145 1.5483 -1.6941 H 1 UNL111 0.1435 32 H -2.7200 -1.6877 0.9790 H 1 UNL111 0.1862 33 H -4.3446 -1.5896 0.2995 H 1 UNL111 0.1449 34 H -2.9855 -2.0354 -0.7355 H 1 UNL111 0.1493 35 H -4.0610 1.8205 0.8085 H 1 UNL111 0.1379 36 H -3.6192 0.5029 1.9000 H 1 UNL111 0.1496 37 H -1.2880 1.1854 1.8348 H 1 UNL111 0.1568 38 H -1.7101 2.5523 0.7882 H 1 UNL111 0.1344 @BOND 1 1 2 1 2 2 3 1 3 3 4 1 4 3 5 1 5 3 6 1 6 6 7 1 7 7 8 2 8 7 9 1 9 9 10 1 10 9 11 1 11 11 12 1 12 11 13 1 13 11 14 1 14 14 15 1 15 9 15 1 16 1 16 1 17 1 17 1 18 1 18 1 19 2 19 1 20 2 20 1 21 4 21 1 22 4 22 1 23 4 23 1 24 5 24 1 25 5 25 1 26 5 26 1 27 6 27 1 28 6 28 1 29 12 29 1 30 12 30 1 31 12 31 1 32 13 32 1 33 13 33 1 34 13 34 1 35 14 35 1 36 14 36 1 37 15 37 1 38 15 38 1