@MOLECULE S-[(1S)-1-methylbutyl] (2S)-2-methylpentanethioate 35 34 0 0 0 SMALL USER_CHARGES @ATOM 1 C 1.9726 0.2600 -0.5396 C.3 1 UNL111111111 -0.1773 2 H 1.8217 -0.3968 -1.4329 H 1 UNL111111111 0.1673 3 C 2.4378 1.6434 -1.0019 C.3 1 UNL111111111 -0.4387 4 C 2.9982 -0.4048 0.3961 C.3 1 UNL111111111 -0.2696 5 C 4.1948 -0.9585 -0.3860 C.3 1 UNL111111111 -0.2482 6 C 5.2051 -1.6015 0.5642 C.3 1 UNL111111111 -0.4401 7 C 0.6848 0.4511 0.2268 C.2 1 UNL111111111 0.4333 8 O 0.6202 0.7162 1.3927 O.2 1 UNL111111111 -0.4375 9 S -0.8178 0.2560 -0.7725 S.3 1 UNL111111111 -0.1815 10 C -2.1622 0.6595 0.4483 C.3 1 UNL111111111 -0.0859 11 H -1.8628 0.2177 1.4309 H 1 UNL111111111 0.1669 12 C -2.2934 2.1689 0.5879 C.3 1 UNL111111111 -0.4582 13 C -3.4669 0.0305 -0.0404 C.3 1 UNL111111111 -0.2883 14 C -3.4995 -1.4909 0.1618 C.3 1 UNL111111111 -0.2505 15 C -4.8671 -2.0528 -0.2281 C.3 1 UNL111111111 -0.4407 16 H 2.5776 2.3274 -0.1544 H 1 UNL111111111 0.1571 17 H 3.3977 1.5785 -1.5287 H 1 UNL111111111 0.1541 18 H 1.7214 2.1082 -1.6906 H 1 UNL111111111 0.1550 19 H 3.3382 0.3203 1.1612 H 1 UNL111111111 0.1552 20 H 2.5151 -1.2228 0.9669 H 1 UNL111111111 0.1480 21 H 3.8524 -1.7014 -1.1318 H 1 UNL111111111 0.1344 22 H 4.6825 -0.1509 -0.9641 H 1 UNL111111111 0.1344 23 H 5.6040 -0.8723 1.2787 H 1 UNL111111111 0.1447 24 H 4.7521 -2.4148 1.1431 H 1 UNL111111111 0.1452 25 H 6.0542 -2.0227 0.0154 H 1 UNL111111111 0.1403 26 H -1.3651 2.6313 0.9531 H 1 UNL111111111 0.1620 27 H -2.5590 2.6603 -0.3561 H 1 UNL111111111 0.1549 28 H -3.0735 2.4286 1.3171 H 1 UNL111111111 0.1526 29 H -4.3138 0.4862 0.5162 H 1 UNL111111111 0.1492 30 H -3.6664 0.2780 -1.1015 H 1 UNL111111111 0.1503 31 H -2.7107 -1.9832 -0.4390 H 1 UNL111111111 0.1472 32 H -3.2744 -1.7417 1.2160 H 1 UNL111111111 0.1369 33 H -5.6700 -1.6168 0.3766 H 1 UNL111111111 0.1422 34 H -5.0979 -1.8510 -1.2804 H 1 UNL111111111 0.1430 35 H -4.9032 -3.1390 -0.0875 H 1 UNL111111111 0.1426 @BOND 1 1 2 1 2 1 3 1 3 1 4 1 4 4 5 1 5 5 6 1 6 1 7 1 7 7 8 2 8 7 9 1 9 9 10 1 10 10 11 1 11 10 12 1 12 10 13 1 13 13 14 1 14 14 15 1 15 3 16 1 16 3 17 1 17 3 18 1 18 4 19 1 19 4 20 1 20 5 21 1 21 5 22 1 22 6 23 1 23 6 24 1 24 6 25 1 25 12 26 1 26 12 27 1 27 12 28 1 28 13 29 1 29 13 30 1 30 14 31 1 31 14 32 1 32 15 33 1 33 15 34 1 34 15 35 1