@MOLECULE 1-[(R)-2,2-dimethylpropylsulfinyl]-1-methyl-cyclopropane 29 29 0 0 0 SMALL USER_CHARGES @ATOM 1 C -2.6629 0.0378 -1.2834 C.3 1 UNL111 -0.4711 2 C -2.1789 -0.1905 0.1568 C.3 1 UNL111 0.1601 3 C -2.3440 1.0986 0.9710 C.3 1 UNL111 -0.4790 4 C -3.0512 -1.2932 0.7989 C.3 1 UNL111 -0.4711 5 C -0.7209 -0.6841 0.1976 C.3 1 UNL111 -0.5234 6 S 0.4755 0.3414 -0.7544 S.O 1 UNL111 1.0777 7 O 0.4046 1.7325 -0.2367 O.2 1 UNL111 -0.8017 8 C 1.9988 -0.3710 -0.0253 C.3 1 UNL111 -0.2226 9 C 2.3397 -1.7001 -0.6315 C.3 1 UNL111 -0.4303 10 C 3.1073 0.5915 0.3378 C.3 1 UNL111 -0.2929 11 C 2.3363 -0.1066 1.4269 C.3 1 UNL111 -0.3186 12 H -2.2131 0.9333 -1.7296 H 1 UNL111 0.1583 13 H -2.4366 -0.8144 -1.9304 H 1 UNL111 0.1396 14 H -3.7478 0.1913 -1.3105 H 1 UNL111 0.1445 15 H -3.3828 1.4415 0.9718 H 1 UNL111 0.1421 16 H -2.0354 0.9640 2.0119 H 1 UNL111 0.1440 17 H -1.7337 1.9218 0.5661 H 1 UNL111 0.1841 18 H -3.0168 -2.2213 0.2219 H 1 UNL111 0.1384 19 H -2.7235 -1.5176 1.8187 H 1 UNL111 0.1441 20 H -4.0987 -0.9801 0.8565 H 1 UNL111 0.1457 21 H -0.4001 -0.7585 1.2517 H 1 UNL111 0.1647 22 H -0.6608 -1.7037 -0.2203 H 1 UNL111 0.1576 23 H 2.4735 -1.6397 -1.7217 H 1 UNL111 0.1545 24 H 3.2857 -2.0948 -0.2296 H 1 UNL111 0.1544 25 H 1.5788 -2.4652 -0.4262 H 1 UNL111 0.1460 26 H 4.1398 0.3217 0.1380 H 1 UNL111 0.1515 27 H 2.9677 1.6661 0.1913 H 1 UNL111 0.1802 28 H 1.6603 0.4741 2.0543 H 1 UNL111 0.1688 29 H 2.8098 -0.8861 2.0167 H 1 UNL111 0.1543 @BOND 1 13 1 1 2 12 1 1 3 23 9 1 4 14 1 1 5 1 2 1 6 6 7 2 7 6 8 1 8 6 5 1 9 9 25 1 10 9 24 1 11 9 8 1 12 22 5 1 13 8 10 1 14 8 11 1 15 26 10 1 16 2 5 1 17 2 4 1 18 2 3 1 19 27 10 1 20 5 21 1 21 18 4 1 22 10 11 1 23 17 3 1 24 4 20 1 25 4 19 1 26 3 15 1 27 3 16 1 28 11 29 1 29 11 28 1