@MOLECULE (1S,2S)-1-(2,2-dimethylpropylsulfanyl)-2-methyl-cyclopropane 28 28 0 0 0 SMALL USER_CHARGES @ATOM 1 C -1.7996 1.0588 1.2543 C.3 1 UNL11111111 -0.4656 2 C -2.2255 0.1903 0.0624 C.3 1 UNL11111111 0.1407 3 C -2.8814 -1.1032 0.5661 C.3 1 UNL11111111 -0.4662 4 C -3.2587 0.9766 -0.7739 C.3 1 UNL11111111 -0.4709 5 C -1.0360 -0.1169 -0.8664 C.3 1 UNL11111111 -0.3437 6 S 0.2989 -1.0812 -0.0452 S.3 1 UNL11111111 -0.0306 7 C 1.7863 -0.2163 -0.5770 C.3 1 UNL11111111 -0.2478 8 H 2.1788 -0.6343 -1.5095 H 1 UNL11111111 0.1721 9 C 1.9849 1.2578 -0.3107 C.3 1 UNL11111111 -0.3373 10 C 2.7703 0.2414 0.4863 C.3 1 UNL11111111 -0.0978 11 H 2.5064 0.1031 1.5441 H 1 UNL11111111 0.1635 12 C 4.2426 0.0603 0.2350 C.3 1 UNL11111111 -0.4393 13 H -1.1439 0.5150 1.9443 H 1 UNL11111111 0.1579 14 H -1.2645 1.9559 0.9292 H 1 UNL11111111 0.1408 15 H -2.6704 1.3842 1.8339 H 1 UNL11111111 0.1450 16 H -3.8133 -0.8903 1.1011 H 1 UNL11111111 0.1445 17 H -3.1221 -1.7815 -0.2589 H 1 UNL11111111 0.1460 18 H -2.2345 -1.6483 1.2631 H 1 UNL11111111 0.1563 19 H -2.8514 1.9318 -1.1190 H 1 UNL11111111 0.1441 20 H -3.5785 0.4100 -1.6536 H 1 UNL11111111 0.1447 21 H -4.1549 1.1976 -0.1847 H 1 UNL11111111 0.1482 22 H -1.3797 -0.7052 -1.7373 H 1 UNL11111111 0.1589 23 H -0.6186 0.8237 -1.2669 H 1 UNL11111111 0.1566 24 H 2.4858 1.8672 -1.0591 H 1 UNL11111111 0.1610 25 H 1.2114 1.8439 0.1795 H 1 UNL11111111 0.1629 26 H 4.8351 0.7695 0.8287 H 1 UNL11111111 0.1526 27 H 4.5659 -0.9533 0.5117 H 1 UNL11111111 0.1547 28 H 4.5137 0.2118 -0.8170 H 1 UNL11111111 0.1488 @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