HMDB0037656 RDKit 3D Proanthocyanidin A1 66 72 0 0 0 0 0 0 0 0999 V2000 -0.9396 -5.0457 -2.8558 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9273 -3.7231 -2.3869 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1589 -2.9089 -2.6159 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1709 -1.6124 -2.1473 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2712 -0.8223 -2.3973 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8915 -1.0557 -1.4276 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9654 -1.8916 -1.2158 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9856 -3.1986 -1.6839 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0893 -1.4359 -0.5124 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9403 -0.1879 0.1601 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.2577 0.2295 0.6605 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2811 -0.6829 0.8053 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5229 -0.3191 1.3071 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7711 0.9968 1.6809 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0206 1.3637 2.1862 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7448 1.8961 1.5309 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9603 3.2251 1.9017 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4989 1.5277 1.0275 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1526 -0.4653 1.3018 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9265 0.1199 1.5006 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4165 0.2986 2.7840 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8045 0.8781 2.9690 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3453 1.0710 4.2291 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5326 1.2872 1.8566 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0094 1.0996 0.5918 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2168 0.5198 0.3944 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8177 0.3374 -0.9292 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.2927 0.7850 -0.8003 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.8718 0.5113 -2.0514 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7600 1.5099 -0.4907 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1482 1.7260 -0.4062 C 0 0 2 0 0 0 0 0 0 0 0 0 3.9765 0.5203 -0.6338 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5962 -0.7202 -0.1712 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3752 -1.8608 -0.3602 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5675 -1.7781 -1.0258 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3206 -2.9376 -1.1993 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9662 -0.5572 -1.4929 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2055 -0.5292 -2.1653 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1919 0.5577 -1.3032 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5492 2.4106 0.8715 C 0 0 1 0 0 0 0 0 0 0 0 0 3.3644 3.8127 0.7925 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8352 1.9105 2.0619 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3179 -5.2253 -3.7930 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9724 -3.3506 -3.1796 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0937 -1.0898 -2.8957 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8549 -3.8421 -1.4981 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1163 -1.7113 0.5217 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3114 -1.0647 1.4120 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7665 0.7003 2.2898 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8414 3.5459 2.2647 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7101 2.2660 0.9224 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9815 -0.0208 3.6399 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8831 0.7984 5.0781 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4145 1.0341 -1.6927 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3580 1.8303 -0.5077 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0308 1.3292 -2.5778 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4048 2.4612 -1.2323 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6700 -0.8924 0.3694 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0528 -2.8296 0.0076 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2063 -2.9495 -1.6717 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6247 0.2692 -2.5608 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5208 1.5077 -1.6675 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6434 2.2869 1.0418 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8183 4.1387 -0.0057 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6550 2.7767 2.7824 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4997 1.1697 2.6117 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 1 41 64 1 0 42 65 1 0 42 66 1 0 M END