HMDB0061521 RDKit 3D PE(MonoMe(11,3)/MonoMe(11,3)) 129130 0 0 0 0 0 0 0 0999 V2000 -0.9154 -1.3812 -4.2747 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9089 -2.7437 -4.8817 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5718 -3.7931 -4.0620 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9804 -4.0020 -2.7273 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4730 -4.9899 -1.8770 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7479 -4.9595 -0.7285 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9663 -5.8588 0.4261 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1925 -3.9370 -0.8954 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1628 -3.6173 0.1599 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5912 -2.9112 1.3714 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7352 -2.7081 2.3158 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4676 -2.1039 3.6206 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9133 -0.7462 3.7389 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7023 0.3683 3.1379 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1395 1.7176 3.3989 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2465 1.9869 2.9320 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7245 3.3622 3.2812 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0316 4.5098 2.7617 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0992 4.6181 1.2694 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2906 3.7247 0.4919 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6088 5.7596 0.6821 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7535 6.0575 -0.6569 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7733 5.2799 -1.3666 C 0 0 2 0 0 0 0 0 0 0 0 0 1.6192 5.5812 -2.9290 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6676 4.9185 -3.4987 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7584 4.9423 -5.1540 P 0 0 0 0 0 5 0 0 0 0 0 0 2.0618 6.1919 -5.6654 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3533 5.0364 -5.7210 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0507 3.6202 -5.9120 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5342 2.4164 -5.4245 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9110 1.2270 -6.0961 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4564 0.0019 -5.5428 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6004 3.9089 -1.3268 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6596 3.0270 -1.2032 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7977 3.6393 -1.1149 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6062 1.5611 -1.1741 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2303 1.0591 -0.8573 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1671 1.4695 -1.8004 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1610 0.8862 -1.3043 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2842 1.2917 -2.1893 C 0 0 0 0 0 0 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0 10 69 1 0 10 70 1 0 11 71 1 0 11 72 1 0 12 73 1 0 12 74 1 0 13 75 1 0 13 76 1 0 14 77 1 0 14 78 1 0 15 79 1 0 15 80 1 0 16 81 1 0 16 82 1 0 17 83 1 0 17 84 1 0 18 85 1 0 18 86 1 0 22 87 1 0 22 88 1 0 23 89 1 1 24 90 1 0 24 91 1 0 28 92 1 0 30 93 1 0 30 94 1 0 31 95 1 0 31 96 1 0 32 97 1 0 32 98 1 0 36 99 1 0 36100 1 0 37101 1 0 37102 1 0 38103 1 0 38104 1 0 39105 1 0 39106 1 0 40107 1 0 40108 1 0 41109 1 0 41110 1 0 42111 1 0 42112 1 0 43113 1 0 43114 1 0 44115 1 0 44116 1 0 45117 1 0 45118 1 0 49119 1 0 49120 1 0 50121 1 0 50122 1 0 51123 1 0 51124 1 0 51125 1 0 52126 1 0 54127 1 0 54128 1 0 54129 1 0 M END