HMDB0114072 RDKit 3D PE-NMe2(18:2(9Z,12Z)/18:1(9Z)) 133132 0 0 0 0 0 0 0 0999 V2000 -1.8605 2.2692 -10.3633 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5812 2.0848 -9.5322 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2952 1.0855 -10.2016 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5919 0.7909 -9.5031 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4187 2.0757 -9.3782 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7096 1.8089 -8.7234 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1678 2.3193 -7.6068 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3158 3.3059 -6.8521 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9994 4.6003 -6.7700 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3277 5.1803 -5.6741 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1632 4.8334 -4.3202 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4456 3.7839 -3.6578 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9115 3.8279 -3.6802 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4926 2.6045 -2.9257 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0457 2.4066 -2.7096 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8436 2.3058 -3.8927 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2548 2.0411 -3.3049 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2635 0.7453 -2.6198 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2975 -0.0738 -2.8428 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2082 0.2650 -1.7259 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0679 -1.0134 -1.1465 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2330 -1.2820 -0.1855 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3120 -0.2076 0.8685 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3634 -0.4593 1.7163 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4927 0.7287 2.9100 P 0 0 0 0 0 5 0 0 0 0 0 0 -5.4841 2.0906 2.2525 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.9885 0.5466 3.6767 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2465 0.5783 4.0094 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7170 0.0568 5.2143 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6226 -0.0974 6.2369 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5646 -0.9734 5.8169 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.0765 -2.3513 5.7418 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5342 -0.9758 6.8440 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0422 -2.5729 0.3875 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8899 -3.6065 0.1615 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9020 -3.4678 -0.5540 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6024 -4.9490 0.7799 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3887 -4.7625 1.6963 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9423 -6.0429 2.3156 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7631 -5.8377 3.2440 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6185 -5.1996 2.5243 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5821 -5.0118 3.4556 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6326 -4.2926 2.5833 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8760 -4.0300 3.2855 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3728 -2.8516 3.5243 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7370 -1.6001 3.1177 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4366 -0.7180 4.3270 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7650 0.5494 3.9460 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5563 1.4435 3.0202 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7563 2.6989 2.7190 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4630 3.6593 1.8111 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7841 4.1517 2.3825 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5487 4.8636 3.7069 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2655 3.2730 -10.1825 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5756 1.4974 -10.0488 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6140 2.2065 -11.4511 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9186 1.7427 -8.5372 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1661 3.0938 -9.4209 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2852 0.1286 -10.2443 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4670 1.3835 -11.2625 H 0 0 0 0 0 0 0 0 0 0 0 0 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51 1 0 51 52 1 0 52 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 0 21 86 1 0 22 87 1 0 23 88 1 0 23 89 1 0 27 90 1 0 29 91 1 0 29 92 1 0 30 93 1 0 30 94 1 0 32 95 1 0 32 96 1 0 32 97 1 0 33 98 1 0 33 99 1 0 33100 1 0 37101 1 0 37102 1 0 38103 1 0 38104 1 0 39105 1 0 39106 1 0 40107 1 0 40108 1 0 41109 1 0 41110 1 0 42111 1 0 42112 1 0 43113 1 0 43114 1 0 44115 1 0 45116 1 0 46117 1 0 46118 1 0 47119 1 0 47120 1 0 48121 1 0 48122 1 0 49123 1 0 49124 1 0 50125 1 0 50126 1 0 51127 1 0 51128 1 0 52129 1 0 52130 1 0 53131 1 0 53132 1 0 53133 1 0 M END