HMDB0037655 RDKit 3D Proanthocyanidin A2 66 72 0 0 0 0 0 0 0 0999 V2000 3.1167 -4.7817 2.8111 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4759 -3.6857 2.2289 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1539 -3.3658 2.5090 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5301 -2.2843 1.9338 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7913 -2.0224 2.2550 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2020 -1.4712 1.0532 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5055 -1.7971 0.7836 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1651 -2.8967 1.3563 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2411 -1.0264 -0.0826 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8099 0.2765 -0.5204 C 0 0 1 0 0 0 0 0 0 0 0 0 4.0322 1.1465 -0.4611 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2822 0.5828 -0.3768 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3899 1.3489 -0.2451 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2249 2.7475 -0.1984 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3605 3.4960 -0.0651 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9878 3.3004 -0.2873 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8363 4.6762 -0.2414 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8399 2.5176 -0.4205 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3364 0.0549 -1.8137 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0158 -0.2485 -2.0230 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5400 -0.4219 -3.2973 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7753 -0.7203 -3.5794 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2300 -0.8903 -4.8864 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6547 -0.8395 -2.4777 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1983 -0.6656 -1.1883 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1202 -0.3822 -0.9504 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6097 -0.2621 0.4380 C 0 0 2 0 0 0 0 0 0 0 0 0 1.7675 0.7638 0.4208 C 0 0 1 0 0 0 0 0 0 0 0 0 2.2745 0.7431 1.7073 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1925 -0.7805 -0.1684 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4457 -0.2584 -0.6713 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.3308 0.3822 0.2473 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6549 0.5558 -0.1331 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5221 1.2959 0.6428 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0979 1.8716 1.8090 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0116 2.6328 2.5812 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7943 1.7220 2.2360 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3931 2.2814 3.3627 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9250 0.9604 1.4169 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9292 -1.3528 -1.5683 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.5878 -2.6101 -1.0157 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0486 -1.2253 -2.8350 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6171 -4.6788 3.6811 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6401 -4.0337 3.2223 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2600 -2.6373 2.9079 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2140 -3.1166 1.1036 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3222 -0.5218 -0.4266 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3592 0.8795 -0.1813 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2684 3.0287 0.0029 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6619 5.2374 -0.1293 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8531 2.9443 -0.4905 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1824 -0.3227 -4.1949 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2035 -1.1082 -5.0140 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1610 0.1537 1.1411 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3617 1.7380 0.1754 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1621 1.6335 2.1296 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1465 0.5764 -1.4373 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0711 0.1310 -1.0307 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5672 1.4359 0.3381 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9514 2.7715 2.2603 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1244 2.6662 4.1337 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9281 0.8712 1.7846 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9802 -1.3709 -1.8109 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9594 -3.0854 -1.6048 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4728 -0.3762 -3.4307 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0515 -2.1831 -3.4159 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 6 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 1 28 55 1 6 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