HMDB0258925 RDKit 3D tetranor-PGFM 49 49 0 0 0 0 0 0 0 0999 V2000 5.9378 0.0610 1.6075 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4368 0.8155 0.7558 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8123 0.9732 0.7306 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6273 1.5326 -0.2077 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1419 1.2691 -0.1643 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8379 -0.1579 -0.4461 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3700 -0.5159 -0.4230 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5583 0.1868 -1.4336 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1513 0.9773 -2.1788 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0934 -0.0330 -1.5677 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3718 -0.9751 -0.5312 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7757 -1.3803 -0.4855 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8601 -2.3523 0.7233 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6869 -3.0469 0.8887 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1263 -1.4077 1.9050 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5075 -0.0622 1.2902 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4962 0.7858 1.5018 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8554 -0.4704 -0.0796 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4055 0.4966 -1.0260 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4934 1.3946 -0.5566 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7318 0.7492 -0.1108 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8530 -0.4894 -0.1692 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.7647 1.5171 0.3744 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4424 0.2224 0.5084 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9264 1.3501 -1.2720 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7248 2.6553 -0.1002 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7150 1.9986 -0.9016 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7427 1.5097 0.8541 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2556 -0.4806 -1.4280 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3162 -0.8003 0.3017 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3252 -1.6222 -0.6161 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9617 -0.2726 0.5885 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0732 -0.4100 -2.5973 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3583 0.9735 -1.4133 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2174 -1.9344 -0.6878 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0305 -0.6299 0.4733 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0123 -2.0138 -1.3661 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7148 -3.0314 0.5807 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0775 -2.6066 1.5288 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9477 -1.8395 2.5068 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2481 -1.3260 2.5712 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3889 0.2830 1.9026 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5841 1.7120 1.2319 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7138 -1.2158 0.1066 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8853 -0.0740 -1.8918 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6879 1.1448 -1.5748 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8019 1.9999 -1.4696 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1462 2.1928 0.1399 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0568 2.3475 -0.1595 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 2 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 2 0 8 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 13 15 1 0 15 16 1 0 16 17 1 0 16 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 2 0 21 23 1 0 18 12 1 0 3 24 1 0 4 25 1 0 4 26 1 0 5 27 1 0 5 28 1 0 6 29 1 0 6 30 1 0 7 31 1 0 7 32 1 0 10 33 1 0 10 34 1 0 11 35 1 0 11 36 1 0 12 37 1 0 13 38 1 0 14 39 1 0 15 40 1 0 15 41 1 0 16 42 1 0 17 43 1 0 18 44 1 0 19 45 1 0 19 46 1 0 20 47 1 0 20 48 1 0 23 49 1 0 M END