HMDB0061547 RDKit 3D PE(MonoMe(9,5)/DiMe(9,5)) 132133 0 0 0 0 0 0 0 0999 V2000 -5.8482 0.0416 4.5628 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3168 -1.1956 5.3054 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1002 -2.0076 5.6612 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3961 -2.3821 4.3587 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1582 -3.2042 4.6512 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4023 -3.6087 3.4625 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5914 -4.7603 2.7439 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6520 -4.7171 1.7139 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4661 -5.7433 0.6759 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9513 -3.5536 1.8616 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1606 -3.0307 1.0289 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4588 -3.7169 1.3466 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6433 -3.2411 0.6077 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6472 -3.3734 -0.8751 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9696 -2.8094 -1.3883 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1187 -1.3646 -1.0588 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0670 -0.5279 -1.7535 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1646 0.9174 -1.3442 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1582 1.6786 -2.1719 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1368 1.4678 -3.4343 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2648 2.5839 -1.6630 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3518 3.2869 -2.4395 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6274 2.4072 -3.1234 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.2839 3.1049 -4.3076 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8851 2.2338 -5.1889 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6003 2.9756 -6.4941 P 0 0 0 0 0 5 0 0 0 0 0 0 -1.6519 4.0914 -6.9550 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1405 3.5851 -6.1986 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7336 1.9433 -7.8483 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6638 1.0608 -7.7828 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6560 0.0946 -8.9495 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5589 0.7719 -10.2098 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5002 1.6664 -2.3402 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4416 0.2834 -2.1814 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4888 -0.2809 -2.7811 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3843 -0.4915 -1.4028 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5511 -0.2240 0.0461 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9462 1.1835 0.3688 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3036 1.4714 1.7559 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4633 1.2634 2.9018 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1533 1.9448 3.0859 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6832 1.4608 4.4674 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5803 2.0070 4.9559 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8059 1.7247 4.1807 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4766 2.5260 3.3976 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5221 1.9567 2.8698 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5436 2.4943 1.9422 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2322 3.9148 1.5180 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2977 4.4259 0.5474 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9579 5.8360 0.1534 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9307 6.7137 1.3701 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5704 0.6503 3.3308 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6011 -0.3661 2.9892 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4897 0.5137 4.1524 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0827 -0.7036 4.8991 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4232 -2.9408 2.8924 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.4835 0.8929 4.8448 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7863 0.2447 4.8092 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9199 -0.1165 3.4819 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9059 -0.8937 6.1968 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9267 -1.8216 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10 56 1 0 56 6 1 0 54 44 2 0 1 57 1 0 1 58 1 0 1 59 1 0 2 60 1 0 2 61 1 0 3 62 1 0 3 63 1 0 4 64 1 0 4 65 1 0 5 66 1 0 5 67 1 0 7 68 1 0 9 69 1 0 9 70 1 0 9 71 1 0 11 72 1 0 11 73 1 0 12 74 1 0 12 75 1 0 13 76 1 0 13 77 1 0 14 78 1 0 14 79 1 0 15 80 1 0 15 81 1 0 16 82 1 0 16 83 1 0 17 84 1 0 17 85 1 0 18 86 1 0 18 87 1 0 22 88 1 0 22 89 1 0 23 90 1 6 24 91 1 0 24 92 1 0 28 93 1 0 30 94 1 0 30 95 1 0 31 96 1 0 31 97 1 0 32 98 1 0 32 99 1 0 36100 1 0 36101 1 0 37102 1 0 37103 1 0 38104 1 0 38105 1 0 39106 1 0 39107 1 0 40108 1 0 40109 1 0 41110 1 0 41111 1 0 42112 1 0 42113 1 0 43114 1 0 43115 1 0 47116 1 0 47117 1 0 48118 1 0 48119 1 0 49120 1 0 49121 1 0 50122 1 0 50123 1 0 51124 1 0 51125 1 0 51126 1 0 53127 1 0 53128 1 0 53129 1 0 55130 1 0 55131 1 0 55132 1 0 M END