HMDB0009255 RDKit 3D PE(20:1(11Z)/18:0) 137136 0 0 0 0 0 0 0 0999 V2000 2.5658 -10.6843 -6.1236 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8129 -10.7544 -5.2472 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7165 -9.5897 -5.5448 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0693 -8.2697 -5.2850 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6287 -8.0706 -3.8492 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8286 -8.1666 -2.9442 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4872 -7.9740 -1.4785 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8700 -6.5888 -1.2557 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5642 -6.4146 0.1704 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1047 -5.4707 0.9012 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0637 -4.5031 0.3745 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5930 -3.0716 0.4704 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3229 -2.6240 1.8830 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8557 -1.1788 1.8945 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5899 -0.7729 3.3063 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1171 0.6777 3.4091 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8432 0.8560 2.6176 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2768 2.2293 2.6369 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2262 3.2948 2.0780 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4503 4.5872 2.1200 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9178 5.6310 2.6045 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1855 4.6474 1.6164 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7859 5.5301 1.4491 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6838 6.6830 0.4748 C 0 0 2 0 0 0 0 0 0 0 0 0 0.4792 7.6058 0.7326 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4487 8.6306 -0.2279 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7334 9.7041 -0.0175 P 0 0 0 0 0 5 0 0 0 0 0 0 1.3986 10.5924 1.1622 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0223 10.6607 -1.3566 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1778 8.8858 0.3435 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6513 8.2828 -0.8305 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9422 7.5637 -0.5058 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4966 6.9080 -1.6693 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9250 7.3896 0.5022 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6639 7.5095 -0.6902 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1652 7.0146 -1.7097 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9515 8.1769 -0.7261 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7107 8.3227 -1.9454 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1708 7.2161 -2.7913 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9950 6.1375 -2.2086 C 0 0 0 0 0 0 0 0 0 0 0 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31 32 1 0 32 33 1 0 24 34 1 0 34 35 1 0 35 36 2 0 35 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 1 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 1 54 1 0 1 55 1 0 1 56 1 0 2 57 1 0 2 58 1 0 3 59 1 0 3 60 1 0 4 61 1 0 4 62 1 0 5 63 1 0 5 64 1 0 6 65 1 0 6 66 1 0 7 67 1 0 7 68 1 0 8 69 1 0 8 70 1 0 9 71 1 0 10 72 1 0 11 73 1 0 11 74 1 0 12 75 1 0 12 76 1 0 13 77 1 0 13 78 1 0 14 79 1 0 14 80 1 0 15 81 1 0 15 82 1 0 16 83 1 0 16 84 1 0 17 85 1 0 17 86 1 0 18 87 1 0 18 88 1 0 19 89 1 0 19 90 1 0 23 91 1 0 23 92 1 0 24 93 1 6 25 94 1 0 25 95 1 0 29 96 1 0 31 97 1 0 31 98 1 0 32 99 1 0 32100 1 0 33101 1 0 33102 1 0 37103 1 0 37104 1 0 38105 1 0 38106 1 0 39107 1 0 39108 1 0 40109 1 0 40110 1 0 41111 1 0 41112 1 0 42113 1 0 42114 1 0 43115 1 0 43116 1 0 44117 1 0 44118 1 0 45119 1 0 45120 1 0 46121 1 0 46122 1 0 47123 1 0 47124 1 0 48125 1 0 48126 1 0 49127 1 0 49128 1 0 50129 1 0 50130 1 0 51131 1 0 51132 1 0 52133 1 0 52134 1 0 53135 1 0 53136 1 0 53137 1 0 M END