@MOLECULE S-(1,1-dimethylpropyl) (2R)-2-methylpentanethioate 35 34 0 0 0 SMALL USER_CHARGES @ATOM 1 C -1.7433 0.6392 -0.0009 C.3 1 UNL11111111 -0.1772 2 H -1.7026 1.1734 -0.9828 H 1 UNL11111111 0.1675 3 C -1.8499 1.6657 1.1305 C.3 1 UNL11111111 -0.4377 4 C -2.9389 -0.3296 -0.0136 C.3 1 UNL11111111 -0.2696 5 C -4.2095 0.3497 -0.5372 C.3 1 UNL11111111 -0.2471 6 C -5.3840 -0.6288 -0.5293 C.3 1 UNL11111111 -0.4404 7 C -0.4851 -0.1642 0.2465 C.2 1 UNL11111111 0.4436 8 O -0.4338 -1.1264 0.9570 O.2 1 UNL11111111 -0.4438 9 S 0.9660 0.4843 -0.6262 S.3 1 UNL11111111 -0.2184 10 C 2.4321 -0.5225 -0.0195 C.3 1 UNL11111111 0.1254 11 C 2.5481 -0.4020 1.4937 C.3 1 UNL11111111 -0.4747 12 C 2.2308 -1.9820 -0.4205 C.3 1 UNL11111111 -0.4805 13 C 3.6641 0.0421 -0.7473 C.3 1 UNL11111111 -0.2804 14 C 4.0601 1.4610 -0.3426 C.3 1 UNL11111111 -0.4364 15 H -1.8917 1.1799 2.1140 H 1 UNL11111111 0.1568 16 H -0.9998 2.3590 1.1368 H 1 UNL11111111 0.1553 17 H -2.7588 2.2704 1.0276 H 1 UNL11111111 0.1533 18 H -2.7018 -1.2115 -0.6413 H 1 UNL11111111 0.1468 19 H -3.1078 -0.7341 1.0037 H 1 UNL11111111 0.1557 20 H -4.4540 1.2345 0.0809 H 1 UNL11111111 0.1342 21 H -4.0431 0.7315 -1.5628 H 1 UNL11111111 0.1343 22 H -5.5929 -0.9971 0.4818 H 1 UNL11111111 0.1446 23 H -6.2985 -0.1546 -0.9017 H 1 UNL11111111 0.1399 24 H -5.1848 -1.5015 -1.1620 H 1 UNL11111111 0.1448 25 H 1.7137 -0.8996 2.0121 H 1 UNL11111111 0.1713 26 H 3.4700 -0.8783 1.8533 H 1 UNL11111111 0.1541 27 H 2.5710 0.6386 1.8403 H 1 UNL11111111 0.1570 28 H 2.1184 -2.1136 -1.5034 H 1 UNL11111111 0.1560 29 H 3.0857 -2.5959 -0.1074 H 1 UNL11111111 0.1528 30 H 1.3431 -2.4253 0.0572 H 1 UNL11111111 0.1755 31 H 4.5211 -0.6376 -0.5480 H 1 UNL11111111 0.1465 32 H 3.5185 -0.0037 -1.8466 H 1 UNL11111111 0.1494 33 H 4.9576 1.7827 -0.8846 H 1 UNL11111111 0.1409 34 H 3.2764 2.1954 -0.5624 H 1 UNL11111111 0.1550 35 H 4.2842 1.5317 0.7278 H 1 UNL11111111 0.1457 @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 3 15 1 15 3 16 1 16 3 17 1 17 4 18 1 18 4 19 1 19 5 20 1 20 5 21 1 21 6 22 1 22 6 23 1 23 6 24 1 24 11 25 1 25 11 26 1 26 11 27 1 27 12 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