HMDB0009800 RDKit 3D PI(16:1(9Z)/18:1(11Z)) 136136 0 0 0 0 0 0 0 0999 V2000 -4.3461 -4.9877 -1.8578 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4364 -5.1037 -2.8827 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9197 -3.7564 -3.3106 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4737 -2.9751 -2.1125 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9284 -1.6484 -2.6745 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5087 -0.7694 -1.5586 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9357 0.5009 -2.1927 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4429 1.6472 -1.8358 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4390 1.8644 -0.8020 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2322 2.5028 -1.4922 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1266 2.7683 -0.4751 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9635 3.3599 -1.1889 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7516 3.6845 -0.3917 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7964 4.7135 0.6432 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6440 4.7009 1.8080 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6147 3.7329 2.9037 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4037 3.6955 3.7712 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1671 3.2514 3.1379 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0980 2.5859 2.0863 O 0 0 0 0 0 0 0 0 0 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1 0 35 36 1 0 36 37 1 0 37 38 1 0 38 39 1 0 39 40 1 0 21 41 1 0 41 42 1 0 42 43 1 0 43 44 2 0 43 45 1 0 43 46 1 0 46 47 1 0 47 48 1 0 48 49 1 0 48 50 1 0 50 51 1 0 50 52 1 0 52 53 1 0 52 54 1 0 54 55 1 0 54 56 1 0 56 57 1 0 56 47 1 0 1 58 1 0 1 59 1 0 1 60 1 0 2 61 1 0 2 62 1 0 3 63 1 0 3 64 1 0 4 65 1 0 4 66 1 0 5 67 1 0 5 68 1 0 6 69 1 0 6 70 1 0 7 71 1 0 8 72 1 0 9 73 1 0 9 74 1 0 10 75 1 0 10 76 1 0 11 77 1 0 11 78 1 0 12 79 1 0 12 80 1 0 13 81 1 0 13 82 1 0 14 83 1 0 14 84 1 0 15 85 1 0 15 86 1 0 16 87 1 0 16 88 1 0 17 89 1 0 17 90 1 0 21 91 1 6 22 92 1 0 22 93 1 0 26 94 1 0 26 95 1 0 27 96 1 0 27 97 1 0 28 98 1 0 28 99 1 0 29100 1 0 29101 1 0 30102 1 0 30103 1 0 31104 1 0 31105 1 0 32106 1 0 32107 1 0 33108 1 0 34109 1 0 35110 1 0 35111 1 0 36112 1 0 36113 1 0 37114 1 0 37115 1 0 38116 1 0 38117 1 0 39118 1 0 39119 1 0 40120 1 0 40121 1 0 40122 1 0 41123 1 0 41124 1 0 45125 1 0 47126 1 1 48127 1 0 49128 1 0 50129 1 0 51130 1 0 52131 1 0 53132 1 0 54133 1 1 55134 1 0 56135 1 0 57136 1 0 M END