@MOLECULE 1-[(1S)-2,2-dimethylcyclobutyl]-2,2-dimethyl-propane-1-thione 32 32 0 0 0 SMALL USER_CHARGES @ATOM 1 C 2.9514 0.2010 0.7444 C.3 1 UNL111 -0.4507 2 C 1.7465 0.6203 -0.1129 C.3 1 UNL111 0.0793 3 C 1.2409 1.9696 0.4268 C.3 1 UNL111 -0.4611 4 C 2.2215 0.7851 -1.5706 C.3 1 UNL111 -0.4569 5 C 0.6212 -0.4065 -0.1168 C.2 1 UNL111 0.0950 6 S 0.8329 -1.9042 0.4271 S.2 1 UNL111 -0.2244 7 C -0.6614 0.0515 -0.7141 C.3 1 UNL111 -0.2105 8 H -0.4779 0.8942 -1.4154 H 1 UNL111 0.1548 9 C -1.8515 0.4217 0.2734 C.3 1 UNL111 0.1247 10 C -1.6312 0.1446 1.7470 C.3 1 UNL111 -0.4714 11 C -2.3439 1.8479 0.0673 C.3 1 UNL111 -0.4713 12 C -2.7470 -0.6385 -0.4394 C.3 1 UNL111 -0.3058 13 C -1.5872 -1.0042 -1.3912 C.3 1 UNL111 -0.2663 14 H 2.6704 0.0228 1.7888 H 1 UNL111 0.1542 15 H 3.4296 -0.7133 0.3714 H 1 UNL111 0.1609 16 H 3.7207 0.9816 0.7447 H 1 UNL111 0.1436 17 H 2.0545 2.7033 0.4666 H 1 UNL111 0.1529 18 H 0.4511 2.3989 -0.1980 H 1 UNL111 0.1483 19 H 0.8438 1.8661 1.4429 H 1 UNL111 0.1503 20 H 2.5912 -0.1628 -1.9791 H 1 UNL111 0.1556 21 H 1.4245 1.1423 -2.2299 H 1 UNL111 0.1448 22 H 3.0424 1.5090 -1.6303 H 1 UNL111 0.1540 23 H -0.7887 0.7182 2.1496 H 1 UNL111 0.1487 24 H -2.5204 0.4097 2.3330 H 1 UNL111 0.1520 25 H -1.4321 -0.9163 1.9456 H 1 UNL111 0.1642 26 H -2.4887 2.0845 -0.9928 H 1 UNL111 0.1477 27 H -3.3084 2.0038 0.5672 H 1 UNL111 0.1532 28 H -1.6420 2.5810 0.4803 H 1 UNL111 0.1482 29 H -3.0724 -1.4586 0.2062 H 1 UNL111 0.1487 30 H -3.6315 -0.2294 -0.9310 H 1 UNL111 0.1399 31 H -1.7816 -0.7954 -2.4467 H 1 UNL111 0.1360 32 H -1.2590 -2.0452 -1.3180 H 1 UNL111 0.1612 @BOND 1 1 2 1 2 2 3 1 3 2 4 1 4 2 5 1 5 5 6 2 6 5 7 1 7 7 8 1 8 7 9 1 9 9 10 1 10 9 11 1 11 9 12 1 12 12 13 1 13 7 13 1 14 1 14 1 15 1 15 1 16 1 16 1 17 3 17 1 18 3 18 1 19 3 19 1 20 4 20 1 21 4 21 1 22 4 22 1 23 10 23 1 24 10 24 1 25 10 25 1 26 11 26 1 27 11 27 1 28 11 28 1 29 12 29 1 30 12 30 1 31 13 31 1 32 13 32 1