@MOLECULE S-methyl (2S)-2-methylpentanethioate 23 22 0 0 0 SMALL USER_CHARGES @ATOM 1 C 0.5319 0.5743 -0.2294 C.3 1 UNL11111111 -0.1786 2 H 0.5103 0.5808 -1.3476 H 1 UNL11111111 0.1655 3 C 0.7051 2.0085 0.2776 C.3 1 UNL11111111 -0.4386 4 C 1.6782 -0.3409 0.2385 C.3 1 UNL11111111 -0.2698 5 C 2.9501 -0.1097 -0.5862 C.3 1 UNL11111111 -0.2462 6 C 4.0977 -0.9695 -0.0574 C.3 1 UNL11111111 -0.4406 7 C -0.7568 0.0453 0.3556 C.2 1 UNL11111111 0.4193 8 O -0.9004 -0.2747 1.5006 O.2 1 UNL11111111 -0.4324 9 S -2.1271 -0.0656 -0.8307 S.3 1 UNL11111111 -0.0943 10 C -3.4926 -0.7188 0.1732 C.3 1 UNL11111111 -0.4835 11 H 0.6666 2.0570 1.3745 H 1 UNL11111111 0.1607 12 H 1.6739 2.4203 -0.0303 H 1 UNL11111111 0.1548 13 H -0.0726 2.6758 -0.1130 H 1 UNL11111111 0.1525 14 H 1.8790 -0.1735 1.3151 H 1 UNL11111111 0.1569 15 H 1.3734 -1.4030 0.1600 H 1 UNL11111111 0.1460 16 H 2.7614 -0.3444 -1.6513 H 1 UNL11111111 0.1348 17 H 3.2377 0.9584 -0.5574 H 1 UNL11111111 0.1348 18 H 4.3431 -0.7168 0.9805 H 1 UNL11111111 0.1451 19 H 3.8476 -2.0360 -0.0853 H 1 UNL11111111 0.1454 20 H 5.0066 -0.8296 -0.6525 H 1 UNL11111111 0.1409 21 H -3.6801 -1.7720 -0.0660 H 1 UNL11111111 0.1697 22 H -3.2776 -0.6539 1.2511 H 1 UNL11111111 0.1877 23 H -4.4063 -0.1457 -0.0236 H 1 UNL11111111 0.1699 @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 3 11 1 11 3 12 1 12 3 13 1 13 4 14 1 14 4 15 1 15 5 16 1 16 5 17 1 17 6 18 1 18 6 19 1 19 6 20 1 20 10 21 1 21 10 22 1 22 10 23 1