HMDB0285156 RDKit 3D PE(DiMe(9,5)/18:3(9,11,15)-OH(13)) 129129 0 0 0 0 0 0 0 0999 V2000 -1.0136 -4.2214 4.1881 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9059 -4.0665 5.3969 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0604 -3.8694 6.5861 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2590 -3.8377 6.5640 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0691 -3.6418 7.7638 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9898 -2.4900 7.7077 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7216 -2.5486 8.9795 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4949 -1.1305 7.6269 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3059 -0.6782 7.4263 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0364 0.7708 7.3854 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1769 1.2279 7.1718 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3829 2.6924 7.1447 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9026 3.1743 5.7822 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8499 2.7874 4.7948 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1009 3.1617 3.3847 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3432 2.5801 2.7972 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4877 3.0042 1.3387 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7445 2.4354 0.7423 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7834 0.9498 0.7930 C 0 0 0 0 0 0 0 0 0 0 0 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0 11 70 1 0 12 71 1 0 12 72 1 0 13 73 1 0 13 74 1 0 14 75 1 0 14 76 1 0 15 77 1 0 15 78 1 0 16 79 1 0 16 80 1 0 17 81 1 0 17 82 1 0 18 83 1 0 18 84 1 0 22 85 1 1 23 86 1 0 23 87 1 0 27 88 1 0 27 89 1 0 28 90 1 0 28 91 1 0 29 92 1 0 29 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 33100 1 0 33101 1 0 34102 1 0 34103 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 42114 1 0 44115 1 0 44116 1 0 44117 1 0 46118 1 0 46119 1 0 46120 1 0 47121 1 0 47122 1 0 51123 1 0 53124 1 0 53125 1 0 54126 1 0 54127 1 0 55128 1 0 55129 1 0 M END