HMDB0034494 RDKit 3D Acevaltrate 66 68 0 0 0 0 0 0 0 0999 V2000 -3.5020 6.3887 1.9798 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5175 5.6355 1.1635 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5680 5.8014 -0.0897 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5829 4.7917 1.6979 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6353 4.0469 0.9671 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2219 3.0237 0.0978 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5137 2.7734 -0.0180 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9037 1.7846 -0.8797 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1534 0.6101 -1.0395 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6636 -0.3109 -0.0824 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2699 -1.4952 -0.4233 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3831 -1.7854 -1.6240 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7637 -2.3781 0.6505 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4011 -3.6399 0.1024 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8726 -4.4755 1.2593 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5862 -3.3183 -0.7674 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6731 0.7811 -0.9265 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2953 2.2072 -0.7211 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8380 2.4506 -1.3331 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3834 1.2948 -2.0299 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3768 0.5919 -1.3326 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6101 0.2526 -1.8603 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8134 0.6174 -3.0471 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6617 -0.4902 -1.1250 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2891 -0.8532 0.2628 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0029 0.4514 1.0166 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0684 -1.7385 0.3504 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4030 -1.4232 0.9114 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0721 -2.5557 0.5503 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2568 -3.0820 1.3087 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7073 -3.1961 -0.4415 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1127 0.4241 -2.1533 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2117 -0.7955 -2.8222 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4826 0.2918 -3.3866 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4544 7.4739 1.7117 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2767 6.3386 3.0627 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5467 6.0716 1.7964 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0058 3.5552 1.7564 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0552 4.7292 0.4193 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2499 3.3231 0.5450 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3280 0.2123 -2.0866 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5686 -1.8535 1.2280 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9637 -2.6023 1.3608 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6663 -4.2370 -0.4909 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1732 -4.3298 2.1231 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8819 -4.2446 1.5991 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7815 -5.5637 1.0061 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2840 -3.3874 -1.8454 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4335 -4.0265 -0.6106 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9174 -2.2711 -0.6203 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2695 0.2119 -0.0370 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3265 3.4300 -1.3172 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6503 1.5695 -3.0525 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0024 -1.3904 -1.6682 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5471 0.1870 -1.0730 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8747 1.3035 0.3120 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8048 0.7276 1.7056 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0721 0.3417 1.6401 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7850 -2.1423 -0.6419 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3228 -2.5548 1.0824 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2300 -1.1686 0.7502 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7571 -2.2226 1.7839 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9477 -3.6272 0.6312 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8625 -3.7324 2.1171 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1503 -1.1150 -3.3234 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4166 -1.6870 -2.5414 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 2 4 1 0 4 5 1 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 2 0 11 13 1 0 13 14 1 0 14 15 1 0 14 16 1 0 9 17 1 0 17 18 1 0 18 19 2 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 2 0 22 24 1 0 24 25 1 0 25 26 1 0 25 27 1 0 25 28 1 0 28 29 1 0 29 30 1 0 29 31 2 0 20 32 1 0 32 33 1 0 33 34 1 0 18 6 1 0 34 32 1 0 32 17 1 0 1 35 1 0 1 36 1 0 1 37 1 0 5 38 1 0 5 39 1 0 7 40 1 0 9 41 1 0 13 42 1 0 13 43 1 0 14 44 1 0 15 45 1 0 15 46 1 0 15 47 1 0 16 48 1 0 16 49 1 0 16 50 1 0 17 51 1 0 19 52 1 0 20 53 1 0 24 54 1 0 24 55 1 0 26 56 1 0 26 57 1 0 26 58 1 0 27 59 1 0 27 60 1 0 27 61 1 0 30 62 1 0 30 63 1 0 30 64 1 0 33 65 1 0 33 66 1 0 M END