HMDB0011312 RDKit 3D PC(P-18:1(9Z)/18:3(9Z,12Z,15Z)) 133132 0 0 0 0 0 0 0 0999 V2000 3.0527 -10.0306 -4.7832 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6130 -8.7359 -4.0894 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9918 -7.6435 -4.9536 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2153 -6.7860 -5.5209 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7722 -6.7047 -5.4416 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0215 -7.6595 -4.7180 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7777 -7.3239 -3.6903 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9371 -5.9551 -3.1189 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3685 -5.5757 -3.2157 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7714 -4.5208 -3.8829 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9398 -3.5703 -4.6151 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1151 -2.1221 -4.0429 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2448 -1.1950 -4.7903 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3191 0.2196 -4.4888 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0647 0.8011 -3.1622 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9996 0.5354 -2.0419 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5578 1.2245 -0.7510 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2727 0.7499 -0.2425 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3598 -0.2299 -0.7457 O 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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 4 60 1 0 5 61 1 0 5 62 1 0 6 63 1 0 7 64 1 0 8 65 1 0 8 66 1 0 9 67 1 0 10 68 1 0 11 69 1 0 11 70 1 0 12 71 1 0 12 72 1 0 13 73 1 0 13 74 1 0 14 75 1 0 14 76 1 0 15 77 1 0 15 78 1 0 16 79 1 0 16 80 1 0 17 81 1 0 17 82 1 0 21 83 1 6 22 84 1 0 22 85 1 0 24 86 1 0 25 87 1 0 26 88 1 0 26 89 1 0 27 90 1 0 27 91 1 0 28 92 1 0 28 93 1 0 29 94 1 0 29 95 1 0 30 96 1 0 30 97 1 0 31 98 1 0 31 99 1 0 32100 1 0 33101 1 0 34102 1 0 34103 1 0 35104 1 0 35105 1 0 36106 1 0 36107 1 0 37108 1 0 37109 1 0 38110 1 0 38111 1 0 39112 1 0 39113 1 0 40114 1 0 40115 1 0 41116 1 0 41117 1 0 41118 1 0 42119 1 0 42120 1 0 48121 1 0 48122 1 0 49123 1 0 49124 1 0 51125 1 0 51126 1 0 51127 1 0 52128 1 0 52129 1 0 52130 1 0 53131 1 0 53132 1 0 53133 1 0 M CHG 2 46 -1 50 1 M END