HMDB0034711 RDKit 3D Protoleucomelone 67 70 0 0 0 0 0 0 0 0999 V2000 -9.4915 0.6286 0.6150 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0344 0.3863 0.4852 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5883 -0.7225 0.0600 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.1039 1.3578 0.8214 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7317 1.1237 0.6960 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1159 1.4333 -0.4963 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7625 1.1882 -0.5820 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0494 0.6511 0.4900 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6286 0.4435 0.2550 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1994 -0.7219 -0.3558 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1025 -1.6984 -0.7397 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7442 -1.7483 -1.9475 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7047 -2.8484 -2.2682 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5259 -0.8614 -2.7982 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1679 -0.9087 -0.5838 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6373 -2.0632 -1.1938 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7816 -2.2147 -2.5551 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2885 -3.4843 -3.1047 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4839 -1.2792 -3.3206 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0520 0.0741 -0.1930 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6024 1.2486 0.4243 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6080 2.0327 0.7064 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7176 1.4467 0.3103 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0465 1.8454 0.3726 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0246 1.0161 -0.1284 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3551 1.4045 -0.0728 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1698 1.1917 1.0048 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5813 1.6508 0.9492 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7092 0.6033 2.0409 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7495 -0.2021 -0.6943 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7512 -1.0133 -1.1885 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2961 -1.9822 -0.3688 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3710 -2.8741 -0.8488 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8599 -2.0942 0.7998 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4190 -0.5917 -0.7521 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4320 0.2285 -0.2549 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7556 1.4268 0.6470 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2762 2.5566 1.2496 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4602 2.6721 2.6191 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0168 3.8747 3.2796 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1327 1.6938 3.3384 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6857 0.3560 1.6542 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0389 0.5932 1.7616 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.9161 1.0749 -0.3187 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9710 -0.3556 0.7749 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7199 1.2671 1.4801 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7206 1.8463 -1.2899 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2882 1.4360 -1.5193 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6510 -3.6299 -1.4660 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4493 -3.3454 -3.2196 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7503 -2.4614 -2.2385 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1309 -3.8728 -2.4762 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5107 -4.2864 -3.1268 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6708 -3.3908 -4.1359 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2723 2.8124 0.8206 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1982 0.7625 0.6710 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9442 1.9805 1.9485 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6836 2.4099 0.1758 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9498 -3.7911 -1.3323 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9787 -2.3869 -1.6596 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0259 -3.1764 -0.0050 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1985 -1.5328 -1.1859 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6187 4.4928 2.5871 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1740 4.4698 3.6831 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6204 3.5661 4.1820 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1059 -0.0595 2.4690 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5339 0.3518 2.6973 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 2 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 1 0 12 13 1 0 12 14 2 0 10 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 17 19 2 0 15 20 2 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 2 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 27 29 2 0 25 30 2 0 30 31 1 0 31 32 1 0 32 33 1 0 32 34 2 0 30 35 1 0 35 36 2 0 21 37 2 0 37 38 1 0 38 39 1 0 39 40 1 0 39 41 2 0 8 42 1 0 42 43 2 0 43 5 1 0 37 9 1 0 36 20 1 0 36 23 1 0 1 44 1 0 1 45 1 0 1 46 1 0 6 47 1 0 7 48 1 0 13 49 1 0 13 50 1 0 13 51 1 0 18 52 1 0 18 53 1 0 18 54 1 0 24 55 1 0 28 56 1 0 28 57 1 0 28 58 1 0 33 59 1 0 33 60 1 0 33 61 1 0 35 62 1 0 40 63 1 0 40 64 1 0 40 65 1 0 42 66 1 0 43 67 1 0 M END