@MOLECULE (1R,2R)-1-(2,2-dimethylpropylsulfanyl)-2-methyl-cyclopropane 28 28 0 0 0 SMALL USER_CHARGES @ATOM 1 C -2.7557 0.8806 0.9476 C.3 1 UNL11111111 -0.4658 2 C -2.1592 -0.2248 0.0650 C.3 1 UNL11111111 0.1399 3 C -1.5992 -1.3488 0.9479 C.3 1 UNL11111111 -0.4675 4 C -3.2809 -0.8084 -0.8218 C.3 1 UNL11111111 -0.4711 5 C -1.0831 0.3363 -0.8833 C.3 1 UNL11111111 -0.3434 6 S 0.2978 1.1976 -0.0268 S.3 1 UNL11111111 -0.0302 7 C 1.7501 0.2844 -0.5751 C.3 1 UNL11111111 -0.2476 8 H 2.1904 0.7387 -1.4688 H 1 UNL11111111 0.1723 9 C 1.8586 -1.2123 -0.4017 C.3 1 UNL11111111 -0.3389 10 C 2.6779 -0.2968 0.4789 C.3 1 UNL11111111 -0.0984 11 H 2.3939 -0.2100 1.5367 H 1 UNL11111111 0.1631 12 C 4.1654 -0.1966 0.2745 C.3 1 UNL11111111 -0.4389 13 H -2.0395 1.2394 1.6965 H 1 UNL11111111 0.1574 14 H -3.0738 1.7444 0.3546 H 1 UNL11111111 0.1460 15 H -3.6311 0.5172 1.4968 H 1 UNL11111111 0.1440 16 H -2.3888 -1.7935 1.5641 H 1 UNL11111111 0.1466 17 H -1.1604 -2.1521 0.3484 H 1 UNL11111111 0.1401 18 H -0.8286 -0.9821 1.6356 H 1 UNL11111111 0.1561 19 H -3.7332 -0.0382 -1.4541 H 1 UNL11111111 0.1450 20 H -2.9050 -1.6016 -1.4751 H 1 UNL11111111 0.1439 21 H -4.0809 -1.2397 -0.2107 H 1 UNL11111111 0.1483 22 H -0.6782 -0.4731 -1.5155 H 1 UNL11111111 0.1572 23 H -1.5378 1.0734 -1.5718 H 1 UNL11111111 0.1609 24 H 1.0392 -1.7829 0.0294 H 1 UNL11111111 0.1642 25 H 2.3451 -1.8012 -1.1752 H 1 UNL11111111 0.1611 26 H 4.4522 -0.2472 -0.7828 H 1 UNL11111111 0.1487 27 H 4.5554 0.7507 0.6713 H 1 UNL11111111 0.1543 28 H 4.6887 -1.0119 0.7921 H 1 UNL11111111 0.1527 @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 7 9 1 9 9 10 1 10 10 11 1 11 7 10 1 12 10 12 1 13 1 13 1 14 1 14 1 15 1 15 1 16 3 16 1 17 3 17 1 18 3 18 1 19 4 19 1 20 4 20 1 21 4 21 1 22 5 22 1 23 5 23 1 24 9 24 1 25 9 25 1 26 12 26 1 27 12 27 1 28 12 28 1