HMDB0014451 RDKit 3D Talbutal 38 38 0 0 0 0 0 0 0 0999 V2000 -0.7433 3.5543 -1.3626 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1984 2.6312 -0.5286 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3016 1.9664 0.3791 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0905 0.5044 0.3031 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2170 -0.4124 0.4898 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8751 -0.2494 1.8736 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2506 -0.6107 -0.5402 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7850 -1.1385 -1.8736 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6750 0.2009 -0.9318 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4158 0.8513 -1.9676 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6862 -0.7889 -0.9897 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1825 -1.3522 -2.2265 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2625 -1.2731 0.2232 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1706 -2.1593 0.1977 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8223 -0.7663 1.4501 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3976 -1.2460 2.6979 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8244 0.2080 1.5036 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6015 0.9042 2.5204 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3843 4.0842 -2.0676 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3211 3.7752 -1.3226 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2591 2.4372 -0.5814 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7314 2.4269 0.2869 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5932 2.2988 1.4296 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7270 -1.4448 0.6096 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2306 -0.6781 2.6689 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8080 -0.8495 1.8531 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0564 0.8163 2.0986 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9650 0.2250 -0.6949 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9340 -1.4430 -0.1403 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9240 -0.3166 -2.6192 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7966 -1.5915 -1.8794 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5373 -1.9126 -2.2422 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3544 -1.4769 -2.9738 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9844 -0.6723 -2.6200 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5761 -2.3742 -2.0538 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8527 -0.3899 3.2493 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1919 -1.9751 2.4785 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6268 -1.7630 3.3029 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 3 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 5 7 1 0 7 8 1 0 4 9 1 0 9 10 2 0 9 11 1 0 11 12 1 0 11 13 1 0 13 14 2 0 13 15 1 0 15 16 1 0 15 17 1 0 17 18 2 0 17 4 1 0 1 19 1 0 1 20 1 0 2 21 1 0 3 22 1 0 3 23 1 0 5 24 1 0 6 25 1 0 6 26 1 0 6 27 1 0 7 28 1 0 7 29 1 0 8 30 1 0 8 31 1 0 8 32 1 0 12 33 1 0 12 34 1 0 12 35 1 0 16 36 1 0 16 37 1 0 16 38 1 0 M END