HMDB0036336 RDKit 3D Prodelphinidin A1 68 74 0 0 0 0 0 0 0 0999 V2000 2.9950 -5.0641 -1.4565 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4182 -3.8220 -1.2876 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2234 -3.5568 -1.9025 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5557 -2.3361 -1.7970 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6284 -2.1473 -2.4472 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1131 -1.3544 -1.0446 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3313 -1.5999 -0.4105 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9822 -2.8229 -0.5276 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8584 -0.5783 0.3281 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6714 0.7998 -0.0063 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9632 1.4989 -0.2216 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4666 2.3652 0.7626 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6532 3.0428 0.6255 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1359 3.8949 1.6074 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4168 2.8936 -0.5167 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6279 3.5862 -0.6522 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9478 2.0524 -1.4955 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6615 1.8623 -2.6554 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7334 1.3661 -1.3412 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0514 1.3415 1.1914 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8446 0.7818 1.5454 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4221 0.9213 2.8663 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7693 0.3755 3.2364 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1971 0.5103 4.5357 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5267 -0.3036 2.2913 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1226 -0.4513 0.9778 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0828 0.0999 0.5956 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5211 -0.0289 -0.8127 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6608 0.9803 -1.0779 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1497 0.6799 -2.3274 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9338 -1.1377 0.0933 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2245 -1.6240 0.3809 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3142 -0.7435 -0.0800 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2198 -0.2387 -1.3667 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1921 0.5909 -1.8589 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1147 1.0986 -3.1303 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.2972 0.9373 -1.0565 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2248 1.7202 -1.5071 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.3523 0.4006 0.2469 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4197 0.7184 1.0624 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3804 -0.4287 0.7367 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2568 -1.9637 1.8312 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3565 -3.0444 2.0167 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8175 -0.8814 2.7554 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6438 -5.2959 -2.2007 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7634 -4.3191 -2.5006 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1693 -1.3107 -2.4687 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9301 -2.9943 -0.0256 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8498 2.4699 1.6578 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5778 4.0013 2.4447 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9254 4.1993 0.1138 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5308 2.3049 -2.8531 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4020 0.6982 -2.1439 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0584 1.4667 3.5627 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0710 0.1355 4.8350 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3103 0.2259 -1.5068 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1833 1.9804 -1.0209 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7775 1.3023 -3.0178 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3852 -2.6018 -0.1706 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3714 -0.4854 -2.0249 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7901 1.7074 -3.5488 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9220 2.2549 -1.7155 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1888 1.3259 0.7327 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4794 -0.8150 1.7397 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2501 -2.4000 2.1483 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6112 -2.8098 2.6039 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6934 -1.3791 3.7675 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5393 -0.0525 2.8845 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 1 0 13 15 2 0 15 16 1 0 15 17 1 0 17 18 1 0 17 19 2 0 10 20 1 0 20 21 1 0 21 22 2 0 22 23 1 0 23 24 1 0 23 25 2 0 25 26 1 0 26 27 2 0 27 28 1 0 28 29 1 0 29 30 1 0 26 31 1 0 31 32 1 0 32 33 1 0 33 34 2 0 34 35 1 0 35 36 1 0 35 37 2 0 37 38 1 0 37 39 1 0 39 40 1 0 39 41 2 0 32 42 1 0 42 43 1 0 42 44 1 0 8 2 1 0 29 10 1 0 41 33 1 0 28 6 1 0 19 11 1 0 27 21 1 0 44 25 1 0 1 45 1 0 3 46 1 0 5 47 1 0 8 48 1 0 12 49 1 0 14 50 1 0 16 51 1 0 18 52 1 0 19 53 1 0 22 54 1 0 24 55 1 0 28 56 1 0 29 57 1 0 30 58 1 0 32 59 1 0 34 60 1 0 36 61 1 0 38 62 1 0 40 63 1 0 41 64 1 0 42 65 1 0 43 66 1 0 44 67 1 0 44 68 1 0 M END