HMDB0114240 RDKit 3D PE-NMe2(20:2(11Z,14Z)/14:1(9Z)) 127126 0 0 0 0 0 0 0 0999 V2000 -11.4489 4.9017 -1.7366 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.1024 4.9179 -0.4034 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.3217 4.4224 0.7458 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.0784 5.1188 1.1499 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0607 5.1617 0.1382 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8788 4.6084 0.2740 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4776 3.8920 1.4685 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1349 2.4188 1.1674 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3540 1.7576 0.5979 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1630 0.3202 0.2591 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7752 -0.5556 1.4231 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6468 -1.9687 0.9245 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6438 -2.2048 -0.1344 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2707 -1.8902 0.3040 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9216 -1.4617 1.4123 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2528 -2.0999 -0.6280 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9112 -1.8610 -0.3664 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2217 -0.8816 -1.2587 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8702 -0.8011 -0.9015 O 0 0 0 0 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78 1 0 18 79 1 0 22 80 1 0 22 81 1 0 23 82 1 0 23 83 1 0 24 84 1 0 24 85 1 0 25 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 32 99 1 0 33100 1 0 33101 1 0 34102 1 0 35103 1 0 36104 1 0 36105 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 40114 1 0 41115 1 0 41116 1 0 45117 1 0 47118 1 0 47119 1 0 48120 1 0 48121 1 0 50122 1 0 50123 1 0 50124 1 0 51125 1 0 51126 1 0 51127 1 0 M END