HMDB0299539 RDKit 3D DG(PGD1/0:0/i-17:0) 120120 0 0 0 0 0 0 0 0999 V2000 14.0952 4.5430 -0.3112 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1065 3.0123 -0.2195 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8894 2.6488 0.5922 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7815 1.1671 0.7704 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6686 0.5023 -0.5614 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5490 -1.0094 -0.3146 C 0 0 2 0 0 0 0 0 0 0 0 0 12.4445 -1.5939 -1.5800 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3670 -1.3312 0.5348 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1399 -1.4120 0.0445 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9068 -1.7161 0.7511 C 0 0 1 0 0 0 0 0 0 0 0 0 8.9793 -1.9044 2.1986 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8586 -2.2888 2.9332 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6388 -1.5107 2.7776 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7988 -1.2115 1.4846 C 0 0 2 0 0 0 0 0 0 0 0 0 6.4917 -2.5065 1.0463 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8637 -0.5611 0.6618 C 0 0 2 0 0 0 0 0 0 0 0 0 7.6084 -0.1943 -0.7356 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6952 0.9221 -0.9493 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2868 0.9981 -0.6325 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2859 0.1684 -1.3336 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3756 -1.3066 -1.2792 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2338 -1.9195 -2.0593 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9031 -1.6141 -1.4647 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8120 -1.0668 -0.3423 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7445 -1.9249 -2.1307 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5587 -1.6613 -1.6202 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7458 -0.2068 -1.4354 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.4658 0.4342 -2.6924 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0975 0.2768 -1.0180 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5920 -0.2206 0.1445 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0737 -1.4478 0.4682 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1254 -2.3580 -0.4165 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5557 -1.7736 1.8564 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6506 -0.5867 2.7393 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4731 0.5607 2.3377 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9098 0.4010 2.0933 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3615 -0.4663 0.9813 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9191 -0.3998 0.9405 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3800 -1.2549 -0.1779 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8156 -1.3771 -0.4274 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.6706 -0.2742 -0.8727 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.7833 0.8924 0.0173 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.7697 1.9322 -0.5405 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.1446 1.3978 -0.7324 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.7843 0.8738 0.5399 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.1687 0.3511 0.2181 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.0725 1.4116 -0.3565 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.7955 -0.1546 1.4852 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2576 4.9115 0.7222 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9498 4.8029 -0.9693 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1127 4.8191 -0.7212 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0615 2.5789 -1.2531 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0442 2.6885 0.2686 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0114 3.0728 0.0427 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0002 3.1644 1.5879 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6474 0.7816 1.3611 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8907 0.9697 1.4083 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8569 0.8827 -1.1858 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6436 0.6391 -1.1097 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4601 -1.3463 0.2160 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1303 -2.5119 -1.4917 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5068 -1.5007 1.5725 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0649 -1.2253 -1.0404 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4272 -2.5991 0.2757 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2176 -2.3695 3.3161 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6816 -0.6478 3.4274 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9433 -0.6189 1.7659 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4843 -2.6511 0.1029 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2733 0.3150 1.2287 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4972 -1.0732 -1.4234 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6430 0.2055 -1.1106 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2117 1.8332 -0.4611 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7644 1.1800 -2.0918 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9817 2.1031 -0.8878 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0393 1.0063 0.4695 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2485 0.4740 -0.9818 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2312 0.5207 -2.4330 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2932 -1.6382 -0.2214 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3364 -1.7099 -1.6738 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2486 -1.5475 -3.1065 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3214 -3.0147 -2.1289 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2961 -2.0963 -2.2948 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5920 -2.1246 -0.5894 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0215 0.1792 -0.6895 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1510 1.1818 -2.5116 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8381 0.1449 -1.8934 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9806 1.4164 -0.9505 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3860 -2.4762 1.8386 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6792 -2.4416 2.2578 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0031 -0.9480 3.7680 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5872 -0.2390 2.9680 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0506 1.0822 1.4114 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3619 1.3905 3.1096 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3736 0.0456 3.0781 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3312 1.4539 1.9560 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0575 -0.0923 -0.0136 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1624 -1.5262 1.0398 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2596 -0.8789 1.8956 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2155 0.6237 0.9798 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0005 -2.3128 0.0595 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8184 -0.9711 -1.1488 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9544 -2.2220 -1.1988 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2526 -1.8766 0.5134 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3172 0.1222 -1.8832 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.7373 -0.6433 -1.0767 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8138 1.4684 -0.0421 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0316 0.6957 1.0605 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.7789 2.7425 0.2387 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.3947 2.2935 -1.5074 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.1783 0.6327 -1.5286 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.7648 2.2652 -1.1125 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.8545 1.7073 1.2667 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.1409 0.0990 0.9728 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.0546 -0.5023 -0.5063 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.1165 2.2424 0.3872 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.0813 0.9267 -0.4662 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.7266 1.8173 -1.3172 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.9211 -0.0736 1.4381 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.6011 -1.2545 1.5965 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.5088 0.4130 2.3881 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 6 8 1 0 8 9 2 0 9 10 1 0 10 11 1 0 11 12 2 0 11 13 1 0 13 14 1 0 14 15 1 0 14 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 2 0 23 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 27 29 1 0 29 30 1 0 30 31 1 0 31 32 2 0 31 33 1 0 33 34 1 0 34 35 1 0 35 36 1 0 36 37 1 0 37 38 1 0 38 39 1 0 39 40 1 0 40 41 1 0 41 42 1 0 42 43 1 0 43 44 1 0 44 45 1 0 45 46 1 0 46 47 1 0 46 48 1 0 16 10 1 0 1 49 1 0 1 50 1 0 1 51 1 0 2 52 1 0 2 53 1 0 3 54 1 0 3 55 1 0 4 56 1 0 4 57 1 0 5 58 1 0 5 59 1 0 6 60 1 1 7 61 1 0 8 62 1 0 9 63 1 0 10 64 1 6 13 65 1 0 13 66 1 0 14 67 1 1 15 68 1 0 16 69 1 1 17 70 1 0 17 71 1 0 18 72 1 0 18 73 1 0 19 74 1 0 19 75 1 0 20 76 1 0 20 77 1 0 21 78 1 0 21 79 1 0 22 80 1 0 22 81 1 0 26 82 1 0 26 83 1 0 27 84 1 1 28 85 1 0 29 86 1 0 29 87 1 0 33 88 1 0 33 89 1 0 34 90 1 0 34 91 1 0 35 92 1 0 35 93 1 0 36 94 1 0 36 95 1 0 37 96 1 0 37 97 1 0 38 98 1 0 38 99 1 0 39100 1 0 39101 1 0 40102 1 0 40103 1 0 41104 1 0 41105 1 0 42106 1 0 42107 1 0 43108 1 0 43109 1 0 44110 1 0 44111 1 0 45112 1 0 45113 1 0 46114 1 0 47115 1 0 47116 1 0 47117 1 0 48118 1 0 48119 1 0 48120 1 0 M END