HMDB0011310 RDKit 3D PC(P-18:1(9Z)/18:2(9Z,12Z)) 135134 0 0 0 0 0 0 0 0999 V2000 3.9111 6.8562 -5.4274 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9779 5.6685 -5.2030 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5581 5.0927 -6.5528 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6520 3.9231 -6.3062 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1612 3.3158 -7.6143 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3036 2.8720 -8.4060 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5298 1.6508 -8.8073 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6509 0.5152 -8.5180 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4028 -0.5097 -7.7362 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0065 -0.9007 -6.5631 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8314 -0.4724 -5.7934 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1976 0.1475 -4.4487 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0723 0.5167 -3.6917 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3299 1.1572 -2.3849 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8824 1.5010 -1.5466 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4202 2.1943 -0.2867 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5818 2.5316 0.6155 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2822 1.2982 1.1275 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8155 0.1427 1.0075 O 0 0 0 0 0 0 0 0 0 0 0 0 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0 39 40 1 0 40 41 1 0 21 42 1 0 42 43 1 0 43 44 1 0 44 45 2 0 44 46 1 0 44 47 1 0 47 48 1 0 48 49 1 0 49 50 1 0 50 51 1 0 50 52 1 0 50 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 7 66 1 0 8 67 1 0 8 68 1 0 9 69 1 0 10 70 1 0 11 71 1 0 11 72 1 0 12 73 1 0 12 74 1 0 13 75 1 0 13 76 1 0 14 77 1 0 14 78 1 0 15 79 1 0 15 80 1 0 16 81 1 0 16 82 1 0 17 83 1 0 17 84 1 0 21 85 1 1 22 86 1 0 22 87 1 0 24 88 1 0 25 89 1 0 26 90 1 0 26 91 1 0 27 92 1 0 27 93 1 0 28 94 1 0 28 95 1 0 29 96 1 0 29 97 1 0 30 98 1 0 30 99 1 0 31100 1 0 31101 1 0 32102 1 0 33103 1 0 34104 1 0 34105 1 0 35106 1 0 35107 1 0 36108 1 0 36109 1 0 37110 1 0 37111 1 0 38112 1 0 38113 1 0 39114 1 0 39115 1 0 40116 1 0 40117 1 0 41118 1 0 41119 1 0 41120 1 0 42121 1 0 42122 1 0 48123 1 0 48124 1 0 49125 1 0 49126 1 0 51127 1 0 51128 1 0 51129 1 0 52130 1 0 52131 1 0 52132 1 0 53133 1 0 53134 1 0 53135 1 0 M CHG 2 46 -1 50 1 M END