HMDB0061486 RDKit 3D PE(DiMe(11,5)/MonoMe(11,5)) 144145 0 0 0 0 0 0 0 0999 V2000 3.3032 5.1728 -1.7227 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9466 5.2541 -1.0479 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1064 4.6294 0.3273 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1334 5.3554 1.1664 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2110 4.6598 2.5077 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6238 3.2386 2.3066 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7637 2.2066 2.1074 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5218 1.0664 1.9643 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9896 -0.2989 1.7299 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8419 1.4612 2.0853 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0097 0.5367 1.9930 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2189 0.2410 0.5294 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3542 -0.7079 0.2570 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1997 -2.0368 0.8684 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0660 -2.8960 0.6009 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7007 -3.4179 -0.7087 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3631 -2.3815 -1.7363 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9397 -2.9978 -3.0597 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7196 -3.8788 -2.9190 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5442 -3.1353 -2.3710 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3188 -3.9616 -2.2374 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3264 -5.1345 -2.6687 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1930 -3.4669 -1.6547 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0338 -4.1325 -1.4634 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.1079 -3.2107 -1.9969 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9665 -2.9513 -3.3745 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8656 -2.0646 -3.9458 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7478 -1.5384 -3.1831 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8444 -1.7151 -5.3539 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0473 -0.2812 -5.7079 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0085 0.6792 -5.2976 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7879 0.7838 -3.8288 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6915 1.7525 -3.4957 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8042 3.1149 -3.9420 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6881 4.1626 -3.5103 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1287 4.2414 -3.4726 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9091 3.4169 -2.5062 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3852 3.7506 -1.1061 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1401 3.0594 -0.0547 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8723 1.9815 0.6370 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8408 1.7095 1.4997 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9102 0.6007 2.4566 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9470 -0.4205 2.2793 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0246 -1.2156 1.0414 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2900 -0.4802 -0.2264 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3627 -1.5571 -1.3281 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8013 2.6809 1.3512 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0822 2.7933 2.1108 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3888 3.5508 0.3740 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0842 4.7577 -0.1424 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1909 -4.2662 0.0506 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3898 -4.9211 0.3607 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4582 -5.0268 2.0542 P 0 0 0 0 0 5 0 0 0 0 0 0 -3.5156 -6.0329 2.4822 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7932 -3.4821 2.6412 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9227 -5.5744 2.5499 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1150 -6.5524 3.5179 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2321 -7.0716 3.9833 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0032 -8.0859 4.9884 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8458 2.7514 2.2863 O 0 0 0 0 0 0 0 0 0 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0.8433 -8.7049 5.0139 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0938 -7.5937 5.9081 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 2 0 7 8 1 0 8 9 1 0 8 10 2 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 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 2 0 21 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 2 0 27 29 1 0 29 30 1 0 30 31 1 0 31 32 1 0 32 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 41 47 2 0 47 48 1 0 47 49 1 0 49 50 1 0 24 51 1 0 51 52 1 0 52 53 1 0 53 54 2 0 53 55 1 0 53 56 1 0 56 57 1 0 57 58 1 0 58 59 1 0 10 60 1 0 60 6 1 0 49 39 2 0 1 61 1 0 1 62 1 0 1 63 1 0 2 64 1 0 2 65 1 0 3 66 1 0 3 67 1 0 4 68 1 0 4 69 1 0 5 70 1 0 5 71 1 0 7 72 1 0 9 73 1 0 9 74 1 0 9 75 1 0 11 76 1 0 11 77 1 0 12 78 1 0 12 79 1 0 13 80 1 0 13 81 1 0 14 82 1 0 14 83 1 0 15 84 1 0 15 85 1 0 16 86 1 0 16 87 1 0 17 88 1 0 17 89 1 0 18 90 1 0 18 91 1 0 19 92 1 0 19 93 1 0 20 94 1 0 20 95 1 0 24 96 1 6 25 97 1 0 25 98 1 0 29 99 1 0 29100 1 0 30101 1 0 30102 1 0 31103 1 0 31104 1 0 32105 1 0 32106 1 0 33107 1 0 33108 1 0 34109 1 0 34110 1 0 35111 1 0 35112 1 0 36113 1 0 36114 1 0 37115 1 0 37116 1 0 38117 1 0 38118 1 0 42119 1 0 42120 1 0 43121 1 0 43122 1 0 44123 1 0 44124 1 0 45125 1 0 45126 1 0 46127 1 0 46128 1 0 46129 1 0 48130 1 0 48131 1 0 48132 1 0 50133 1 0 50134 1 0 50135 1 0 51136 1 0 51137 1 0 55138 1 0 57139 1 0 57140 1 0 58141 1 0 58142 1 0 59143 1 0 59144 1 0 M END