@MOLECULE (2R)-2-isohexylsulfanyl-1,1-dimethyl-cyclopropane 34 34 0 0 0 SMALL USER_CHARGES @ATOM 1 C -4.2749 0.1336 -0.1869 C.3 1 UNL1 -0.0467 2 C -5.4620 -0.8291 -0.0457 C.3 1 UNL1 -0.0627 3 C -4.4599 1.3295 0.7549 C.3 1 UNL1 -0.0627 4 C -2.9625 -0.6131 0.1207 C.3 1 UNL1 -0.0500 5 C -1.7391 0.1686 -0.3835 C.3 1 UNL1 -0.0438 6 C -0.4647 -0.6052 -0.0611 C.3 1 UNL1 -0.0060 7 S 0.9800 0.3041 -0.7578 S.3 1 UNL1 -0.1568 8 C 2.3400 -0.6457 -0.0666 C.3 1 UNL1 0.0109 9 H 2.3652 -1.6613 -0.4767 H 1 UNL1 0.0417 10 C 2.7888 -0.4425 1.3625 C.3 1 UNL1 -0.0345 11 C 3.6767 0.0299 0.2287 C.3 1 UNL1 -0.0220 12 C 4.9191 -0.7683 -0.0897 C.3 1 UNL1 -0.0588 13 C 3.8677 1.5080 0.0094 C.3 1 UNL1 -0.0588 14 H -4.2413 0.5056 -1.2395 H 1 UNL1 0.0295 15 H -6.4109 -0.3190 -0.2426 H 1 UNL1 0.0232 16 H -5.3860 -1.6641 -0.7503 H 1 UNL1 0.0232 17 H -5.5187 -1.2502 0.9638 H 1 UNL1 0.0232 18 H -3.6302 2.0396 0.6696 H 1 UNL1 0.0232 19 H -5.3826 1.8735 0.5279 H 1 UNL1 0.0232 20 H -4.5143 1.0110 1.8012 H 1 UNL1 0.0232 21 H -2.8792 -0.7954 1.2073 H 1 UNL1 0.0268 22 H -2.9840 -1.6129 -0.3528 H 1 UNL1 0.0268 23 H -1.8364 0.3424 -1.4742 H 1 UNL1 0.0273 24 H -1.7195 1.1741 0.0833 H 1 UNL1 0.0273 25 H -0.3386 -0.7209 1.0299 H 1 UNL1 0.0376 26 H -0.4984 -1.6213 -0.4921 H 1 UNL1 0.0376 27 H 2.2939 0.2880 1.9978 H 1 UNL1 0.0281 28 H 3.0772 -1.3046 1.9572 H 1 UNL1 0.0281 29 H 4.7849 -1.8436 0.0790 H 1 UNL1 0.0235 30 H 5.2120 -0.6360 -1.1399 H 1 UNL1 0.0235 31 H 5.7641 -0.4467 0.5329 H 1 UNL1 0.0235 32 H 4.7743 1.8677 0.5135 H 1 UNL1 0.0235 33 H 3.9685 1.7426 -1.0593 H 1 UNL1 0.0235 34 H 3.0325 2.1080 0.3951 H 1 UNL1 0.0235 @BOND 1 1 2 1 2 1 3 1 3 1 4 1 4 4 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 8 11 1 12 11 12 1 13 11 13 1 14 1 14 1 15 2 15 1 16 2 16 1 17 2 17 1 18 3 18 1 19 3 19 1 20 3 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 12 29 1 30 12 30 1 31 12 31 1 32 13 32 1 33 13 33 1 34 13 34 1