@MOLECULE S-[(1R)-1-methylbutyl] hexanethioate 35 34 0 0 0 SMALL USER_CHARGES @ATOM 1 C 6.6018 -0.6213 0.0717 C.3 1 UNL11111111 -0.4413 2 C 5.3324 0.0839 -0.4050 C.3 1 UNL11111111 -0.2497 3 C 4.0863 -0.5333 0.2443 C.3 1 UNL11111111 -0.2729 4 C 2.8192 0.1664 -0.2579 C.3 1 UNL11111111 -0.2539 5 C 1.5711 -0.4355 0.4005 C.3 1 UNL11111111 -0.3694 6 C 0.3378 0.2305 -0.1250 C.2 1 UNL11111111 0.4491 7 O 0.3109 1.0218 -1.0234 O.2 1 UNL11111111 -0.4365 8 S -1.1889 -0.2687 0.7274 S.3 1 UNL11111111 -0.1855 9 C -2.4752 0.7905 -0.1018 C.3 1 UNL11111111 -0.0836 10 H -2.2754 0.7569 -1.2009 H 1 UNL11111111 0.1648 11 C -2.3591 2.2248 0.3932 C.3 1 UNL11111111 -0.4594 12 C -3.8543 0.2078 0.2069 C.3 1 UNL11111111 -0.2896 13 C -4.1436 -1.0800 -0.5765 C.3 1 UNL11111111 -0.2508 14 C -5.5951 -1.5148 -0.3695 C.3 1 UNL11111111 -0.4401 15 H 6.7191 -0.5465 1.1583 H 1 UNL11111111 0.1420 16 H 6.5906 -1.6861 -0.1864 H 1 UNL11111111 0.1422 17 H 7.4954 -0.1821 -0.3859 H 1 UNL11111111 0.1419 18 H 5.3881 1.1634 -0.1679 H 1 UNL11111111 0.1359 19 H 5.2567 0.0207 -1.5075 H 1 UNL11111111 0.1367 20 H 4.0417 -1.6153 0.0190 H 1 UNL11111111 0.1370 21 H 4.1583 -0.4552 1.3452 H 1 UNL11111111 0.1369 22 H 2.8700 1.2534 -0.0511 H 1 UNL11111111 0.1493 23 H 2.7437 0.0836 -1.3607 H 1 UNL11111111 0.1535 24 H 1.5294 -1.5304 0.2069 H 1 UNL11111111 0.1795 25 H 1.6420 -0.3357 1.5053 H 1 UNL11111111 0.1781 26 H -2.5118 2.3139 1.4759 H 1 UNL11111111 0.1554 27 H -1.3771 2.6625 0.1589 H 1 UNL11111111 0.1647 28 H -3.1063 2.8686 -0.0910 H 1 UNL11111111 0.1526 29 H -3.9887 0.0317 1.2922 H 1 UNL11111111 0.1508 30 H -4.6257 0.9658 -0.0502 H 1 UNL11111111 0.1505 31 H -3.9467 -0.9237 -1.6543 H 1 UNL11111111 0.1373 32 H -3.4617 -1.8930 -0.2617 H 1 UNL11111111 0.1462 33 H -5.8081 -1.7095 0.6876 H 1 UNL11111111 0.1431 34 H -6.2983 -0.7481 -0.7134 H 1 UNL11111111 0.1425 35 H -5.8161 -2.4345 -0.9229 H 1 UNL11111111 0.1428 @BOND 1 1 2 1 2 2 3 1 3 3 4 1 4 4 5 1 5 5 6 1 6 6 7 2 7 6 8 1 8 8 9 1 9 9 10 1 10 9 11 1 11 9 12 1 12 12 13 1 13 13 14 1 14 1 15 1 15 1 16 1 16 1 17 1 17 2 18 1 18 2 19 1 19 3 20 1 20 3 21 1 21 4 22 1 22 4 23 1 23 5 24 1 24 5 25 1 25 11 26 1 26 11 27 1 27 11 28 1 28 12 29 1 29 12 30 1 30 13 31 1 31 13 32 1 32 14 33 1 33 14 34 1 34 14 35 1