@MOLECULE S-[(1S)-1-methylbutyl] hexanethioate 35 34 0 0 0 SMALL USER_CHARGES @ATOM 1 C 6.6017 0.6216 0.0724 C.3 1 UNL11111111 -0.4413 2 C 5.3325 -0.0836 -0.4050 C.3 1 UNL11111111 -0.2497 3 C 4.0861 0.5330 0.2447 C.3 1 UNL11111111 -0.2729 4 C 2.8191 -0.1664 -0.2582 C.3 1 UNL11111111 -0.2539 5 C 1.5709 0.4351 0.4004 C.3 1 UNL11111111 -0.3694 6 C 0.3377 -0.2308 -0.1255 C.2 1 UNL11111111 0.4491 7 O 0.3106 -1.0215 -1.0246 O.2 1 UNL11111111 -0.4365 8 S -1.1889 0.2686 0.7272 S.3 1 UNL11111111 -0.1855 9 C -2.4752 -0.7909 -0.1018 C.3 1 UNL11111111 -0.0836 10 H -2.2750 -0.7576 -1.2008 H 1 UNL11111111 0.1648 11 C -2.3595 -2.2250 0.3938 C.3 1 UNL11111111 -0.4594 12 C -3.8543 -0.2081 0.2066 C.3 1 UNL11111111 -0.2895 13 C -4.1431 1.0802 -0.5762 C.3 1 UNL11111111 -0.2509 14 C -5.5944 1.5157 -0.3692 C.3 1 UNL11111111 -0.4401 15 H 6.5903 1.6865 -0.1848 H 1 UNL11111111 0.1422 16 H 6.7187 0.5459 1.1590 H 1 UNL11111111 0.1420 17 H 7.4955 0.1830 -0.3854 H 1 UNL11111111 0.1419 18 H 5.2569 -0.0196 -1.5074 H 1 UNL11111111 0.1367 19 H 5.3885 -1.1633 -0.1687 H 1 UNL11111111 0.1359 20 H 4.1579 0.4538 1.3455 H 1 UNL11111111 0.1369 21 H 4.0415 1.6151 0.0204 H 1 UNL11111111 0.1370 22 H 2.7439 -0.0828 -1.3610 H 1 UNL11111111 0.1535 23 H 2.8699 -1.2536 -0.0522 H 1 UNL11111111 0.1493 24 H 1.6417 0.3343 1.5052 H 1 UNL11111111 0.1781 25 H 1.5291 1.5301 0.2077 H 1 UNL11111111 0.1795 26 H -2.5129 -2.3136 1.4765 H 1 UNL11111111 0.1554 27 H -3.1064 -2.8692 -0.0906 H 1 UNL11111111 0.1526 28 H -1.3773 -2.6629 0.1603 H 1 UNL11111111 0.1646 29 H -4.6257 -0.9658 -0.0508 H 1 UNL11111111 0.1505 30 H -3.9887 -0.0321 1.2921 H 1 UNL11111111 0.1508 31 H -3.4613 1.8930 -0.2601 H 1 UNL11111111 0.1462 32 H -3.9457 0.9250 -1.6539 H 1 UNL11111111 0.1373 33 H -6.2980 0.7496 -0.7135 H 1 UNL11111111 0.1425 34 H -5.8073 1.7097 0.6881 H 1 UNL11111111 0.1431 35 H -5.8145 2.4359 -0.9217 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