@MOLECULE 1-[(1S)-2,2-dimethylcyclobutyl]-3,3-dimethyl-pentane-1-thione 38 38 0 0 0 SMALL USER_CHARGES @ATOM 1 C 4.3617 1.3275 -0.0238 C.3 1 UNL11 -0.4322 2 C 2.9015 1.2998 -0.4736 C.3 1 UNL11 -0.2827 3 C 2.1221 0.0176 -0.0461 C.3 1 UNL11 0.1396 4 C 2.8869 -1.2231 -0.5171 C.3 1 UNL11 -0.4676 5 C 1.9618 0.0070 1.4763 C.3 1 UNL11 -0.4693 6 C 0.7448 0.1232 -0.7661 C.3 1 UNL11 -0.3603 7 C -0.4057 -0.7551 -0.3777 C.2 1 UNL11 0.1371 8 S -0.3063 -2.2287 0.2484 S.2 1 UNL11 -0.2312 9 C -1.7103 -0.1390 -0.7603 C.3 1 UNL11 -0.2128 10 H -1.6519 0.1783 -1.8261 H 1 UNL11 0.1573 11 C -2.2369 1.0561 0.1388 C.3 1 UNL11 0.1174 12 C -1.5374 1.2334 1.4735 C.3 1 UNL11 -0.4713 13 C -2.3089 2.3720 -0.6187 C.3 1 UNL11 -0.4693 14 C -3.6073 0.3220 0.2709 C.3 1 UNL11 -0.3104 15 C -3.0477 -0.8910 -0.5066 C.3 1 UNL11 -0.2652 16 H 4.8317 2.2834 -0.2813 H 1 UNL11 0.1366 17 H 4.4577 1.1975 1.0595 H 1 UNL11 0.1437 18 H 4.9484 0.5365 -0.5044 H 1 UNL11 0.1440 19 H 2.3813 2.1885 -0.0686 H 1 UNL11 0.1322 20 H 2.8664 1.3953 -1.5754 H 1 UNL11 0.1320 21 H 3.8488 -1.3147 -0.0011 H 1 UNL11 0.1462 22 H 2.3394 -2.1494 -0.3119 H 1 UNL11 0.1667 23 H 3.0872 -1.1917 -1.5918 H 1 UNL11 0.1396 24 H 1.2568 0.7703 1.8178 H 1 UNL11 0.1402 25 H 1.6100 -0.9629 1.8456 H 1 UNL11 0.1620 26 H 2.9180 0.1965 1.9775 H 1 UNL11 0.1479 27 H 0.4144 1.1867 -0.6885 H 1 UNL11 0.1615 28 H 0.9269 -0.0373 -1.8566 H 1 UNL11 0.1692 29 H -0.5279 1.6442 1.3555 H 1 UNL11 0.1500 30 H -2.0961 1.9202 2.1215 H 1 UNL11 0.1522 31 H -1.4449 0.2840 2.0167 H 1 UNL11 0.1602 32 H -2.8290 2.2662 -1.5780 H 1 UNL11 0.1485 33 H -2.8534 3.1292 -0.0405 H 1 UNL11 0.1527 34 H -1.3109 2.7747 -0.8249 H 1 UNL11 0.1472 35 H -3.9063 0.1033 1.2984 H 1 UNL11 0.1458 36 H -4.4405 0.8310 -0.2176 H 1 UNL11 0.1404 37 H -3.5914 -1.1463 -1.4193 H 1 UNL11 0.1376 38 H -2.9747 -1.8027 0.0958 H 1 UNL11 0.1646 @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