@MOLECULE S-ethyl (2S)-2-methylbutanethioate 23 22 0 0 0 SMALL USER_CHARGES @ATOM 1 C 3.8310 0.0830 0.7166 C.3 1 UNL111 -0.4364 2 C 2.5213 0.6822 0.2105 C.3 1 UNL111 -0.2474 3 C 1.4345 -0.3959 0.0364 C.3 1 UNL111 -0.1743 4 H 1.4142 -1.0338 0.9552 H 1 UNL111 0.1667 5 C 1.6952 -1.2810 -1.1854 C.3 1 UNL111 -0.4380 6 C 0.1139 0.3008 -0.1930 C.2 1 UNL111 0.4238 7 O -0.0331 1.2623 -0.8919 O.2 1 UNL111 -0.4369 8 S -1.2922 -0.4448 0.6805 S.3 1 UNL111 -0.1418 9 C -2.7122 0.5892 0.1313 C.3 1 UNL111 -0.2741 10 C -3.8989 -0.2908 -0.2131 C.3 1 UNL111 -0.4352 11 H 3.6994 -0.4240 1.6793 H 1 UNL111 0.1439 12 H 4.2428 -0.6471 0.0108 H 1 UNL111 0.1438 13 H 4.5904 0.8615 0.8581 H 1 UNL111 0.1446 14 H 2.1685 1.4594 0.9179 H 1 UNL111 0.1436 15 H 2.6832 1.2112 -0.7500 H 1 UNL111 0.1542 16 H 2.6719 -1.7745 -1.1105 H 1 UNL111 0.1553 17 H 0.9394 -2.0693 -1.2876 H 1 UNL111 0.1527 18 H 1.6962 -0.6969 -2.1155 H 1 UNL111 0.1588 19 H -2.9603 1.2981 0.9434 H 1 UNL111 0.1593 20 H -2.4077 1.2066 -0.7400 H 1 UNL111 0.1768 21 H -3.6767 -1.0003 -1.0223 H 1 UNL111 0.1565 22 H -4.2544 -0.8763 0.6454 H 1 UNL111 0.1525 23 H -4.7480 0.3200 -0.5533 H 1 UNL111 0.1516 @BOND 1 1 2 1 2 2 3 1 3 3 4 1 4 3 5 1 5 3 6 1 6 6 7 2 7 6 8 1 8 8 9 1 9 9 10 1 10 1 11 1 11 1 12 1 12 1 13 1 13 2 14 1 14 2 15 1 15 5 16 1 16 5 17 1 17 5 18 1 18 9 19 1 19 9 20 1 20 10 21 1 21 10 22 1 22 10 23 1