HMDB0037672 RDKit 3D Epicatechin-(2beta->7,4beta->8)-epicatechin-(4beta->8)-epicatechin 99108 0 0 0 0 0 0 0 0999 V2000 -6.8886 1.7022 -3.7145 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0728 1.4643 -2.6199 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4996 2.4710 -1.8540 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7111 2.2245 -0.8097 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1388 3.2502 -0.0156 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3749 0.9345 -0.3695 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9662 -0.0849 -1.1624 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7648 0.1562 -2.2204 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6264 -1.3590 -0.7002 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4849 -1.6540 0.6864 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.4477 -2.7108 1.0256 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0087 -2.8908 2.1946 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8420 -3.9762 2.4766 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0669 -4.8786 1.4240 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8752 -5.9682 1.6639 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.5048 -4.7274 0.1526 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7621 -5.6317 -0.8559 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6867 -3.6312 -0.0392 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1675 -2.3019 0.7274 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0998 -1.4526 0.5560 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8908 -2.0835 0.4148 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2423 -1.3724 0.2379 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4592 -2.0648 0.1076 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1965 0.0025 0.1964 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0491 0.6693 0.3337 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2322 -0.0447 0.5220 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5443 0.5731 0.7565 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.3383 -0.5037 1.5882 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.4617 0.0276 2.1496 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0524 2.0547 0.2684 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1175 2.7713 0.1577 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.0101 4.1583 -0.3688 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1152 4.9915 -0.2813 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1202 6.2933 -0.6817 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0557 6.8608 -1.2069 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0774 8.1767 -1.6167 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2294 6.0688 -1.3168 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3659 6.5715 -1.8072 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0825 4.7586 -0.8813 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2844 2.1154 -0.4784 C 0 0 2 0 0 0 0 0 0 0 0 0 1.3354 2.3033 -1.8493 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4561 0.6534 -0.0628 C 0 0 1 0 0 0 0 0 0 0 0 0 2.5988 0.5645 0.8715 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5381 1.0828 2.1620 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3168 1.3304 2.7043 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7341 1.3087 2.8449 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9644 1.0503 2.3217 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1782 1.2730 2.9843 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0323 0.5234 1.0328 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8876 0.2889 0.3660 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9673 -0.2928 -0.8838 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0634 -1.0060 -1.2933 C 0 0 2 0 0 0 0 0 0 0 0 0 5.4798 -2.2898 -0.7397 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5521 -2.5990 0.5978 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1902 -3.7408 1.0748 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7868 -4.6394 0.1854 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4149 -5.7497 0.7261 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7205 -4.3572 -1.1568 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3031 -5.2445 -2.0505 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0821 -3.2086 -1.5819 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3314 -0.1387 -1.0309 C 0 0 2 0 0 0 0 0 0 0 0 0 7.4911 -0.9232 -1.2284 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3596 0.3375 0.3701 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8996 1.7789 -3.5526 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7399 3.4829 -2.1911 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3214 4.1984 -0.2363 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2266 -0.6157 -2.8429 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8750 -2.1744 3.0533 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2687 -4.0769 3.4517 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1098 -6.7090 1.0658 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3529 -6.4120 -0.7854 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2277 -3.4734 -0.9953 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8326 -3.1902 0.4513 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4761 -3.0542 0.1139 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4675 1.4333 1.4835 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6173 -0.7611 2.4133 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3440 0.1530 3.1299 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4060 3.0228 1.2607 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0111 4.5748 0.1348 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9707 6.9504 -0.6246 H 0 0 0 0 0 0 0 0 0 0 0 0 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12 2 0 12 13 1 0 13 14 2 0 14 15 1 0 14 16 1 0 16 17 1 0 16 18 2 0 10 19 1 0 19 20 1 0 20 21 2 0 21 22 1 0 22 23 1 0 22 24 2 0 24 25 1 0 25 26 2 0 26 27 1 0 27 28 1 0 28 29 1 0 25 30 1 0 30 31 1 0 31 32 1 0 32 33 2 0 33 34 1 0 34 35 2 0 35 36 1 0 35 37 1 0 37 38 1 0 37 39 2 0 31 40 1 0 40 41 1 0 40 42 1 0 42 43 1 0 43 44 2 0 44 45 1 0 44 46 1 0 46 47 2 0 47 48 1 0 47 49 1 0 49 50 2 0 50 51 1 0 51 52 1 0 52 53 1 0 53 54 2 0 54 55 1 0 55 56 2 0 56 57 1 0 56 58 1 0 58 59 1 0 58 60 2 0 52 61 1 0 61 62 1 0 61 63 1 0 8 2 1 0 28 10 1 0 39 32 1 0 50 43 1 0 60 53 1 0 27 6 1 0 63 49 1 0 18 11 1 0 26 20 1 0 42 24 1 0 1 64 1 0 3 65 1 0 5 66 1 0 8 67 1 0 12 68 1 0 13 69 1 0 15 70 1 0 17 71 1 0 18 72 1 0 21 73 1 0 23 74 1 0 27 75 1 1 28 76 1 1 29 77 1 0 31 78 1 1 33 79 1 0 34 80 1 0 36 81 1 0 38 82 1 0 39 83 1 0 40 84 1 1 41 85 1 0 42 86 1 6 45 87 1 0 46 88 1 0 48 89 1 0 52 90 1 6 54 91 1 0 55 92 1 0 57 93 1 0 59 94 1 0 60 95 1 0 61 96 1 6 62 97 1 0 63 98 1 0 63 99 1 0 M END