HMDB0113122 RDKit 3D PE-NMe(18:1(11Z)/20:2(11Z,14Z)) 136135 0 0 0 0 0 0 0 0999 V2000 2.5313 5.4325 6.9171 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8656 4.9499 7.2849 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6593 4.1057 6.3959 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1287 4.4921 5.0939 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1579 4.6943 3.9667 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4166 3.4512 3.7910 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1373 3.2956 3.6644 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0389 4.2231 3.6289 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1536 5.6428 3.6388 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7210 6.4255 2.6613 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0670 5.9521 1.4389 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8550 6.4112 0.2421 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2370 5.8923 0.1067 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1930 4.3796 -0.0472 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5786 3.8105 -0.2653 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5487 2.3156 -0.4514 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0402 1.5550 0.7204 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9786 0.0634 0.4749 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0276 -0.2808 -0.6592 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6427 0.1820 -0.3131 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3692 1.4085 -0.3569 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3778 -0.6712 0.0639 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6580 -0.1924 0.3999 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9126 -0.4471 1.8802 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8417 -1.8469 2.0930 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9702 -2.4348 3.3235 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1552 -1.7161 4.3336 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8953 -3.8851 3.4828 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9990 -4.6983 2.2467 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9672 -4.4763 1.2018 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4444 -4.7452 1.6162 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3712 -4.4735 0.4525 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0732 -5.3316 -0.7570 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0751 -4.9548 -1.8425 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8154 -5.7943 -3.0999 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8418 -5.3759 -4.1522 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6800 -6.1232 -5.4012 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4295 -5.5539 -6.5477 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2742 -4.1398 -6.7813 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9057 -3.7614 -7.3347 C 0 0 0 0 0 0 0 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0 34 35 1 0 35 36 1 0 36 37 1 0 37 38 2 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 23 45 1 0 45 46 1 0 46 47 1 0 47 48 2 0 47 49 1 0 47 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 18 86 1 0 18 87 1 0 19 88 1 0 19 89 1 0 23 90 1 0 24 91 1 0 24 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 33104 1 0 34105 1 0 34106 1 0 35107 1 0 35108 1 0 36109 1 0 36110 1 0 37111 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 43121 1 0 43122 1 0 44123 1 0 44124 1 0 44125 1 0 45126 1 0 45127 1 0 49128 1 0 51129 1 0 51130 1 0 52131 1 0 52132 1 0 53133 1 0 54134 1 0 54135 1 0 54136 1 0 M END