@MOLECULE (1S,2S)-1-(3,3-dimethylbutylsulfanyl)-2-methyl-cyclopropane 31 31 0 0 0 SMALL USER_CHARGES @ATOM 1 C -3.2785 0.1322 -1.5072 C.3 1 UNL1111111 -0.4665 2 C -2.9988 0.1476 0.0027 C.3 1 UNL1111111 0.1312 3 C -2.8937 1.5983 0.4959 C.3 1 UNL1111111 -0.4665 4 C -4.1655 -0.5440 0.7336 C.3 1 UNL1111111 -0.4697 5 C -1.7031 -0.6396 0.3286 C.3 1 UNL1111111 -0.2918 6 C -0.4653 -0.0349 -0.3225 C.3 1 UNL1111111 -0.3050 7 S 1.0107 -1.0312 0.1555 S.3 1 UNL1111111 -0.0363 8 C 2.3444 0.0277 -0.4262 C.3 1 UNL1111111 -0.2489 9 H 2.4389 0.0072 -1.5163 H 1 UNL1111111 0.1699 10 C 2.6928 1.3050 0.3041 C.3 1 UNL1111111 -0.3349 11 C 3.6087 0.1066 0.4115 C.3 1 UNL1111111 -0.0996 12 H 3.6435 -0.4296 1.3701 H 1 UNL1111111 0.1633 13 C 4.9397 0.1111 -0.2912 C.3 1 UNL1111111 -0.4391 14 H -2.5180 0.6866 -2.0660 H 1 UNL1111111 0.1439 15 H -3.2982 -0.8902 -1.8990 H 1 UNL1111111 0.1461 16 H -4.2465 0.5914 -1.7347 H 1 UNL1111111 0.1452 17 H -3.8467 2.1252 0.3808 H 1 UNL1111111 0.1455 18 H -2.6196 1.6403 1.5552 H 1 UNL1111111 0.1460 19 H -2.1430 2.1641 -0.0647 H 1 UNL1111111 0.1436 20 H -4.2888 -1.5796 0.4015 H 1 UNL1111111 0.1449 21 H -4.0070 -0.5580 1.8165 H 1 UNL1111111 0.1449 22 H -5.1120 -0.0263 0.5481 H 1 UNL1111111 0.1453 23 H -1.5825 -0.6783 1.4308 H 1 UNL1111111 0.1500 24 H -1.8385 -1.6915 0.0032 H 1 UNL1111111 0.1495 25 H -0.5568 -0.0278 -1.4229 H 1 UNL1111111 0.1539 26 H -0.3178 1.0117 -0.0016 H 1 UNL1111111 0.1544 27 H 3.0015 2.1756 -0.2690 H 1 UNL1111111 0.1594 28 H 2.1186 1.6229 1.1711 H 1 UNL1111111 0.1649 29 H 5.7193 0.5579 0.3411 H 1 UNL1111111 0.1529 30 H 5.2584 -0.9126 -0.5348 H 1 UNL1111111 0.1548 31 H 4.9196 0.6773 -1.2304 H 1 UNL1111111 0.1487 @BOND 1 1 2 1 2 2 3 1 3 2 4 1 4 2 5 1 5 5 6 1 6 6 7 1 7 7 8 1 8 8 9 1 9 8 10 1 10 10 11 1 11 11 12 1 12 8 11 1 13 11 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 5 23 1 24 5 24 1 25 6 25 1 26 6 26 1 27 10 27 1 28 10 28 1 29 13 29 1 30 13 30 1 31 13 31 1