HMDB0029754 RDKit 3D Procyanidin B1 68 73 0 0 0 0 0 0 0 0999 V2000 -5.4896 -2.8254 -1.9876 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3592 -2.4250 -1.2895 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0819 -2.5957 -1.7758 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9887 -2.1801 -1.0427 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6996 -2.3706 -1.5710 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1399 -1.5796 0.2025 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4126 -1.4019 0.7027 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5117 -1.8319 -0.0592 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6148 -0.8080 1.9404 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5595 -0.1269 2.5563 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.5531 1.3221 2.2600 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7688 1.8333 0.9987 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7595 3.1953 0.7228 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5293 4.0810 1.7265 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5049 5.4684 1.5238 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3091 3.5925 3.0058 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0678 4.4643 4.0718 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3211 2.2343 3.2672 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2193 -0.7774 2.3758 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.2621 0.1672 2.8196 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9146 -1.1424 0.9612 C 0 0 1 0 0 0 0 0 0 0 0 0 0.1921 -2.1090 0.8349 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1046 -3.3561 1.3808 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0496 -3.7107 2.0554 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1116 -4.2977 1.2992 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2737 -3.9229 0.6123 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2543 -4.8987 0.5577 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3908 -2.6671 0.0490 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3375 -1.7512 0.1626 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4641 -0.4856 -0.4080 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7893 -0.0775 -0.7154 C 0 0 2 0 0 0 0 0 0 0 0 0 2.8466 1.2413 -1.3500 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7893 2.1658 -0.9246 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8858 3.4217 -1.4889 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0481 3.8099 -2.5002 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1500 5.0889 -3.0714 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0993 2.9084 -2.9435 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2449 3.2813 -3.9629 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0180 1.6605 -2.3687 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3606 -1.1715 -1.5930 C 0 0 1 0 0 0 0 0 0 0 0 0 4.5021 -0.7609 -2.2656 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6547 -2.3556 -0.6630 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4732 -3.2625 -2.8840 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9663 -3.0680 -2.7547 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5898 -2.8061 -2.4740 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4803 -1.6629 0.3910 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7732 -0.2089 3.6697 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9578 1.1893 0.1593 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9362 3.5641 -0.2988 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6541 5.8876 0.6356 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0587 5.4573 3.8829 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1395 1.9141 4.3025 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1243 -1.6244 3.0939 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1207 0.7761 2.0475 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6102 -0.1962 0.4216 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2273 -4.5871 2.4925 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0169 -5.2855 1.7433 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1228 -4.7069 0.0850 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3809 -0.0671 0.2208 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4838 1.9278 -0.1302 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6380 4.1486 -1.1439 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8639 5.7006 -2.7030 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2973 4.1927 -4.3895 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2745 0.9308 -2.7040 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5547 -1.5013 -2.2666 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6529 0.2111 -2.2261 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0417 -3.2130 -1.2601 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3834 -2.0172 0.1102 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 0 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 19 21 1 0 21 22 1 0 22 23 2 0 23 24 1 0 23 25 1 0 25 26 2 0 26 27 1 0 26 28 1 0 28 29 2 0 29 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 18 11 1 0 29 22 1 0 39 32 1 0 21 6 1 0 42 28 1 0 1 43 1 0 3 44 1 0 5 45 1 0 8 46 1 0 10 47 1 1 12 48 1 0 13 49 1 0 15 50 1 0 17 51 1 0 18 52 1 0 19 53 1 1 20 54 1 0 21 55 1 6 24 56 1 0 25 57 1 0 27 58 1 0 31 59 1 1 33 60 1 0 34 61 1 0 36 62 1 0 38 63 1 0 39 64 1 0 40 65 1 6 41 66 1 0 42 67 1 0 42 68 1 0 M END