HMDB0113177 RDKit 3D PE-NMe(18:2(9Z,12Z)/20:1(11Z)) 136135 0 0 0 0 0 0 0 0999 V2000 -8.6584 -0.0144 3.3900 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.9107 0.6631 3.8811 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.8243 0.9661 2.7417 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.1970 -0.3433 2.0536 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.1288 0.0585 0.9154 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.6163 -1.0500 0.1153 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.4337 -1.2217 -1.1989 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.6678 -0.2323 -2.0032 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.4961 -0.8380 -2.6885 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2610 -0.4500 -2.4257 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8389 0.5726 -1.4691 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1294 1.7504 -2.0250 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8844 1.5030 -2.7929 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7803 0.7974 -2.0837 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6017 0.6582 -3.0498 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1484 2.0254 -3.4772 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6952 2.7925 -2.2467 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5356 2.1048 -1.6736 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8941 1.2982 -2.4105 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1597 2.3401 -0.3613 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0071 1.6642 0.1316 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0662 0.1871 0.0731 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1466 -0.3687 1.0263 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0416 -1.7645 0.8712 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1512 -2.5526 1.8653 P 0 0 0 0 0 5 0 0 0 0 0 0 -4.5718 -2.4140 1.3803 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0237 -1.8908 3.4209 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7759 -4.2038 1.9705 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4554 -4.4488 1.6399 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0930 -5.8955 1.7100 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9234 -6.6851 0.7830 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5568 -6.3213 -0.5507 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1482 -0.3685 0.5626 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8830 -1.2566 -0.1876 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4056 -1.5266 -1.3363 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1315 -1.8864 0.2550 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8811 -1.3709 1.3708 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6141 -0.1322 1.4835 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1314 1.2088 1.2626 C 0 0 0 0 0 0 0 0 0 0 0 0 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0 30 31 1 0 31 32 1 0 22 33 1 0 33 34 1 0 34 35 2 0 34 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 2 0 46 47 1 0 47 48 1 0 48 49 1 0 49 50 1 0 50 51 1 0 51 52 1 0 52 53 1 0 53 54 1 0 1 55 1 0 1 56 1 0 1 57 1 0 2 58 1 0 2 59 1 0 3 60 1 0 3 61 1 0 4 62 1 0 4 63 1 0 5 64 1 0 5 65 1 0 6 66 1 0 7 67 1 0 8 68 1 0 8 69 1 0 9 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 21 87 1 0 22 88 1 0 23 89 1 0 23 90 1 0 27 91 1 0 29 92 1 0 29 93 1 0 30 94 1 0 30 95 1 0 31 96 1 0 32 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 44116 1 0 44117 1 0 45118 1 0 46119 1 0 47120 1 0 47121 1 0 48122 1 0 48123 1 0 49124 1 0 49125 1 0 50126 1 0 50127 1 0 51128 1 0 51129 1 0 52130 1 0 52131 1 0 53132 1 0 53133 1 0 54134 1 0 54135 1 0 54136 1 0 M END