@MOLECULE decoxymethanethioic s-acid 36 35 0 0 0 SMALL GASTEIGER @ATOM 1 C 8.5812 -0.4430 0.0013 C.3 1 UNL11111 -0.4396 2 C 7.3179 0.4176 0.0054 C.3 1 UNL11111 -0.2509 3 C 6.0565 -0.4574 -0.0024 C.3 1 UNL11111 -0.2721 4 C 4.7957 0.4154 0.0048 C.3 1 UNL11111 -0.2750 5 C 3.5261 -0.4460 -0.0057 C.3 1 UNL11111 -0.2736 6 C 2.2796 0.4479 0.0012 C.3 1 UNL11111 -0.2726 7 C 0.9946 -0.3898 -0.0040 C.3 1 UNL11111 -0.2683 8 C -0.2343 0.5292 -0.0015 C.3 1 UNL11111 -0.2664 9 C -1.5288 -0.2892 -0.0043 C.3 1 UNL11111 -0.2991 10 C -2.7295 0.6530 -0.0033 C.3 1 UNL11111 -0.0210 11 O -3.8622 -0.2405 -0.0011 O.3 1 UNL11111 -0.3921 12 C -5.0693 0.3440 0.0004 C.2 1 UNL11111 0.5384 13 O -5.2728 1.5261 -0.0005 O.2 1 UNL11111 -0.4890 14 S -6.3200 -0.9620 0.0041 S.3 1 UNL11111 -0.1325 15 H 8.6271 -1.0914 0.8835 H 1 UNL11111 0.1425 16 H 8.6248 -1.0872 -0.8840 H 1 UNL11111 0.1425 17 H 9.4843 0.1775 0.0015 H 1 UNL11111 0.1405 18 H 7.3143 1.0774 0.8938 H 1 UNL11111 0.1337 19 H 7.3165 1.0903 -0.8726 H 1 UNL11111 0.1336 20 H 6.0586 -1.1161 -0.8904 H 1 UNL11111 0.1368 21 H 6.0584 -1.1311 0.8742 H 1 UNL11111 0.1368 22 H 4.7979 1.0728 0.8945 H 1 UNL11111 0.1365 23 H 4.8002 1.0909 -0.8714 H 1 UNL11111 0.1365 24 H 3.5195 -1.1027 -0.8952 H 1 UNL11111 0.1372 25 H 3.5169 -1.1204 0.8700 H 1 UNL11111 0.1372 26 H 2.2960 1.1076 0.8893 H 1 UNL11111 0.1370 27 H 2.2954 1.1209 -0.8768 H 1 UNL11111 0.1370 28 H 0.9757 -1.0521 -0.8892 H 1 UNL11111 0.1387 29 H 0.9735 -1.0592 0.8759 H 1 UNL11111 0.1387 30 H -0.2040 1.1918 0.8850 H 1 UNL11111 0.1403 31 H -0.2036 1.1972 -0.8838 H 1 UNL11111 0.1403 32 H -1.5691 -0.9573 -0.8870 H 1 UNL11111 0.1564 33 H -1.5707 -0.9617 0.8752 H 1 UNL11111 0.1565 34 H -2.7824 1.2870 0.8984 H 1 UNL11111 0.1386 35 H -2.7845 1.2854 -0.9061 H 1 UNL11111 0.1386 36 H -7.3869 -0.1433 0.0050 H 1 UNL11111 0.1783 @BOND 1 1 2 1 2 1 15 1 3 1 16 1 4 1 17 1 5 2 3 1 6 2 18 1 7 2 19 1 8 3 4 1 9 3 20 1 10 3 21 1 11 4 5 1 12 4 22 1 13 4 23 1 14 5 6 1 15 5 24 1 16 5 25 1 17 6 7 1 18 6 26 1 19 6 27 1 20 7 8 1 21 7 28 1 22 7 29 1 23 8 9 1 24 8 30 1 25 8 31 1 26 9 10 1 27 9 32 1 28 9 33 1 29 10 11 1 30 10 34 1 31 10 35 1 32 11 12 1 33 12 14 1 34 12 13 2 35 14 36 1