@MOLECULE S-[(1R)-1-methylbutyl] (1S,2S)-2-methylcyclobutanecarbothioate 33 33 0 0 0 SMALL USER_CHARGES @ATOM 1 C 3.4311 0.1365 -0.2855 C.3 1 UNL1111111 -0.0648 2 H 3.2505 0.7211 -1.2082 H 1 UNL1111111 0.1577 3 C 4.4457 0.8265 0.6001 C.3 1 UNL1111111 -0.4559 4 C 3.7093 -1.3671 -0.5763 C.3 1 UNL1111111 -0.2952 5 C 2.3585 -1.7504 0.0790 C.3 1 UNL1111111 -0.2521 6 C 2.0994 -0.2591 0.4403 C.3 1 UNL1111111 -0.2467 7 H 2.1383 -0.0628 1.5285 H 1 UNL1111111 0.1752 8 C 0.8712 0.3067 -0.1851 C.2 1 UNL1111111 0.4379 9 O 0.8409 0.9594 -1.1895 O.2 1 UNL1111111 -0.4351 10 S -0.6511 -0.0827 0.7260 S.3 1 UNL1111111 -0.1788 11 C -1.9442 0.8559 -0.2298 C.3 1 UNL1111111 -0.0802 12 H -1.7784 0.6388 -1.3131 H 1 UNL1111111 0.1632 13 C -1.7939 2.3499 0.0176 C.3 1 UNL1111111 -0.4592 14 C -3.3196 0.3558 0.2122 C.3 1 UNL1111111 -0.2898 15 C -3.6640 -1.0180 -0.3793 C.3 1 UNL1111111 -0.2508 16 C -5.1121 -1.3898 -0.0593 C.3 1 UNL1111111 -0.4406 17 H 5.4059 0.9446 0.0820 H 1 UNL1111111 0.1501 18 H 4.1061 1.8296 0.8891 H 1 UNL1111111 0.1515 19 H 4.6404 0.2660 1.5219 H 1 UNL1111111 0.1474 20 H 3.7871 -1.6122 -1.6381 H 1 UNL1111111 0.1435 21 H 4.5887 -1.7720 -0.0715 H 1 UNL1111111 0.1428 22 H 1.6320 -2.1894 -0.6117 H 1 UNL1111111 0.1498 23 H 2.4400 -2.4112 0.9462 H 1 UNL1111111 0.1461 24 H -1.9137 2.6195 1.0741 H 1 UNL1111111 0.1549 25 H -0.8132 2.7249 -0.3125 H 1 UNL1111111 0.1658 26 H -2.5455 2.9186 -0.5473 H 1 UNL1111111 0.1514 27 H -3.4096 0.3295 1.3162 H 1 UNL1111111 0.1512 28 H -4.0880 1.0904 -0.1114 H 1 UNL1111111 0.1497 29 H -3.5106 -1.0118 -1.4754 H 1 UNL1111111 0.1368 30 H -2.9820 -1.7956 0.0153 H 1 UNL1111111 0.1464 31 H -5.2816 -1.4440 1.0220 H 1 UNL1111111 0.1432 32 H -5.8159 -0.6569 -0.4692 H 1 UNL1111111 0.1423 33 H -5.3725 -2.3669 -0.4815 H 1 UNL1111111 0.1425 @BOND 1 1 2 1 2 1 3 1 3 1 4 1 4 4 5 1 5 5 6 1 6 6 7 1 7 1 6 1 8 6 8 1 9 8 9 2 10 8 10 1 11 10 11 1 12 11 12 1 13 11 13 1 14 11 14 1 15 14 15 1 16 15 16 1 17 3 17 1 18 3 18 1 19 3 19 1 20 4 20 1 21 4 21 1 22 5 22 1 23 5 23 1 24 13 24 1 25 13 25 1 26 13 26 1 27 14 27 1 28 14 28 1 29 15 29 1 30 15 30 1 31 16 31 1 32 16 32 1 33 16 33 1