HMDB0112967 RDKit 3D PE-NMe(18:1(9Z)/18:1(11Z)) 132131 0 0 0 0 0 0 0 0999 V2000 4.8047 -4.9717 4.5108 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2291 -3.6412 4.0354 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8161 -3.2566 2.6816 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4705 -4.3346 1.6850 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0185 -4.0526 0.3199 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4430 -2.7404 -0.2213 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9730 -2.4394 -1.5519 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2323 -2.3269 -2.6244 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7847 -2.4869 -2.6333 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0354 -1.2483 -3.1223 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4651 -0.8766 -4.5034 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7800 0.3029 -5.1078 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9110 1.5833 -4.3068 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2636 2.7360 -5.0161 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1687 2.6055 -5.3297 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1216 2.4707 -4.1656 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4923 2.3286 -4.8102 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6277 2.2216 -3.9392 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3941 3.2384 -3.7975 O 0 0 0 0 0 0 0 0 0 0 0 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1 0 3 58 1 0 3 59 1 0 4 60 1 0 4 61 1 0 5 62 1 0 5 63 1 0 6 64 1 0 6 65 1 0 7 66 1 0 8 67 1 0 9 68 1 0 9 69 1 0 10 70 1 0 10 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 21 86 1 0 22 87 1 0 22 88 1 0 26 89 1 0 26 90 1 0 27 91 1 0 27 92 1 0 28 93 1 0 28 94 1 0 29 95 1 0 29 96 1 0 30 97 1 0 30 98 1 0 31 99 1 0 31100 1 0 32101 1 0 32102 1 0 33103 1 0 34104 1 0 35105 1 0 35106 1 0 36107 1 0 36108 1 0 37109 1 0 37110 1 0 38111 1 0 38112 1 0 39113 1 0 39114 1 0 40115 1 0 40116 1 0 41117 1 0 41118 1 0 42119 1 0 42120 1 0 42121 1 0 43122 1 0 43123 1 0 47124 1 0 49125 1 0 49126 1 0 50127 1 0 50128 1 0 51129 1 0 52130 1 0 52131 1 0 52132 1 0 M END