HMDB0037657 RDKit 3D Proanthocyanidin A5' 66 72 0 0 0 0 0 0 0 0999 V2000 -3.1711 -0.9913 -4.8968 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5177 -0.9924 -3.6449 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3260 -1.6651 -3.5061 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6441 -1.7055 -2.2864 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5313 -2.4054 -2.2080 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1747 -1.0561 -1.2087 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3789 -0.3809 -1.3636 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0425 -0.3465 -2.5570 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8691 0.2544 -0.2372 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6610 -0.2690 1.0739 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.9750 -0.4675 1.6894 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4265 -1.5393 2.3310 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6928 -1.6889 2.9639 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5392 -0.5600 2.8895 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7909 -0.5378 3.4686 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0719 0.5105 2.2370 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9131 1.6635 2.1523 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8492 0.6680 1.6194 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0194 0.7870 1.8623 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8360 1.2356 1.2610 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3899 2.5299 1.4848 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7415 3.0205 0.8995 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1728 4.2904 1.1109 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4385 2.1615 0.0624 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0277 0.8862 -0.1656 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1374 0.3719 0.4320 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5385 -1.0184 0.1386 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.6861 -1.3802 1.1159 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.2221 -2.6100 0.7729 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7559 0.0590 -0.9779 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0791 0.4061 -1.3753 C 0 0 2 0 0 0 0 0 0 0 0 0 4.1047 -0.2469 -0.5505 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8214 -0.8683 0.6463 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8391 -1.4500 1.3714 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1325 -1.4651 1.0007 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1786 -2.0319 1.6743 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4455 -0.8284 -0.2285 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7868 -0.8382 -0.6047 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4528 -0.2508 -0.9585 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2370 1.8468 -1.6601 C 0 0 2 0 0 0 0 0 0 0 0 0 4.5737 2.1852 -1.8030 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6330 2.7488 -0.6253 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9197 -0.2355 -5.5642 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8598 -2.1676 -4.3194 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1139 -2.5591 -1.4216 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9884 0.1868 -2.6859 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8036 -2.4508 2.4243 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0056 -2.5563 3.4479 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3298 0.3375 3.3870 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5730 2.4536 1.6548 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4911 1.5190 1.1080 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9789 3.1353 2.1955 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9489 4.7915 0.7999 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2260 -1.7735 0.2709 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2443 -1.4595 2.1232 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5491 -3.3177 0.9745 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1641 -0.1150 -2.3874 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7920 -0.8998 1.0013 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5370 -1.9295 2.3239 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1106 -1.9900 1.2864 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9473 -0.4008 -1.5447 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7079 0.2307 -1.9207 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7527 2.0648 -2.6642 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7902 2.2839 -2.7583 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3721 3.1821 0.0640 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2019 3.6384 -1.1953 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 1 0 4 6 2 0 6 7 1 0 7 8 2 0 7 9 1 0 9 10 1 0 10 11 1 1 11 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 8 2 1 0 28 10 1 0 39 32 1 0 27 6 1 0 18 11 1 0 26 20 1 0 42 24 1 0 1 43 1 0 3 44 1 0 5 45 1 0 8 46 1 0 12 47 1 0 13 48 1 0 15 49 1 0 17 50 1 0 18 51 1 0 21 52 1 0 23 53 1 0 27 54 1 6 28 55 1 1 29 56 1 0 31 57 1 6 33 58 1 0 34 59 1 0 36 60 1 0 38 61 1 0 39 62 1 0 40 63 1 6 41 64 1 0 42 65 1 0 42 66 1 0 M END