HMDB0009798 RDKit 3D PI(16:1(9Z)/16:1(9Z)) 130130 0 0 0 0 0 0 0 0999 V2000 -0.8153 -6.8337 -4.4049 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1425 -8.2938 -4.0833 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0216 -8.2761 -2.8289 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2124 -7.6337 -1.7500 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8976 -7.5179 -0.4231 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1808 -6.6653 -0.4999 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8823 -5.3261 -0.9517 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1298 -4.2107 -0.2590 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7366 -4.2576 1.0377 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0059 -3.7447 2.2075 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7423 -2.3022 2.2919 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9485 -1.7130 1.2033 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6360 -0.2295 1.4570 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8789 -0.0588 2.7097 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4021 -0.7965 2.7180 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3746 -0.4481 1.6812 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5715 -0.7836 1.9076 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1577 0.1855 0.5116 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9543 0.5828 -0.5181 C 0 0 0 0 0 0 0 0 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0 5 65 1 0 5 66 1 0 6 67 1 0 6 68 1 0 7 69 1 0 8 70 1 0 9 71 1 0 9 72 1 0 10 73 1 0 10 74 1 0 11 75 1 0 11 76 1 0 12 77 1 0 12 78 1 0 13 79 1 0 13 80 1 0 14 81 1 0 14 82 1 0 15 83 1 0 15 84 1 0 19 85 1 0 19 86 1 0 20 87 1 6 21 88 1 0 21 89 1 0 25 90 1 0 27 91 1 6 28 92 1 0 29 93 1 0 30 94 1 0 31 95 1 0 32 96 1 0 33 97 1 0 34 98 1 1 35 99 1 0 36100 1 0 37101 1 0 41102 1 0 41103 1 0 42104 1 0 42105 1 0 43106 1 0 43107 1 0 44108 1 0 44109 1 0 45110 1 0 45111 1 0 46112 1 0 46113 1 0 47114 1 0 47115 1 0 48116 1 0 49117 1 0 50118 1 0 50119 1 0 51120 1 0 51121 1 0 52122 1 0 52123 1 0 53124 1 0 53125 1 0 54126 1 0 54127 1 0 55128 1 0 55129 1 0 55130 1 0 M END