HMDB0289795 RDKit 3D PC(P-18:1(9Z)/18:1(9Z)-O(12,13)) 136136 0 0 0 0 0 0 0 0999 V2000 0.7541 5.6198 -3.1535 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7162 4.5088 -3.5070 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2020 3.8116 -4.7438 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1061 2.6744 -5.1772 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2318 1.6226 -4.1237 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1601 0.4759 -4.5434 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1618 -0.4798 -3.4016 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0589 -1.6928 -3.5892 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8942 -2.5034 -2.3667 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4831 -3.7556 -2.2779 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1301 -4.5297 -3.4354 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7890 -5.0481 -3.6808 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0932 -5.9600 -2.7619 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6847 -5.4234 -1.4371 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0133 -6.5191 -0.6334 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5589 -6.0266 0.6673 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6992 -5.0763 0.5363 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2920 -4.8362 -0.6100 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3343 -3.9766 -0.7554 O 0 0 0 0 0 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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 2 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 53 54 1 0 49 47 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 6 67 1 0 7 68 1 0 7 69 1 0 8 70 1 0 8 71 1 0 9 72 1 0 10 73 1 0 11 74 1 0 11 75 1 0 12 76 1 0 12 77 1 0 13 78 1 0 13 79 1 0 14 80 1 0 14 81 1 0 15 82 1 0 15 83 1 0 16 84 1 0 16 85 1 0 17 86 1 0 18 87 1 0 20 88 1 0 20 89 1 0 21 90 1 1 22 91 1 0 22 92 1 0 28 93 1 0 28 94 1 0 29 95 1 0 29 96 1 0 31 97 1 0 31 98 1 0 31 99 1 0 32100 1 0 32101 1 0 32102 1 0 33103 1 0 33104 1 0 33105 1 0 37106 1 0 37107 1 0 38108 1 0 38109 1 0 39110 1 0 39111 1 0 40112 1 0 40113 1 0 41114 1 0 41115 1 0 42116 1 0 42117 1 0 43118 1 0 43119 1 0 44120 1 0 45121 1 0 46122 1 0 46123 1 0 47124 1 0 49125 1 0 50126 1 0 50127 1 0 51128 1 0 51129 1 0 52130 1 0 52131 1 0 53132 1 0 53133 1 0 54134 1 0 54135 1 0 54136 1 0 M CHG 2 26 -1 30 1 M END