HMDB0113144 RDKit 3D PE-NMe(18:1(9Z)/18:3(6Z,9Z,12Z)) 128127 0 0 0 0 0 0 0 0999 V2000 -13.8360 -1.1785 1.7536 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.7659 -2.2511 2.1443 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.6669 -3.6062 1.5770 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.7777 -3.8256 0.1421 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.6943 -3.4326 -0.8155 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.5305 -4.2749 -0.6097 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.3337 -3.9441 -0.3362 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.9152 -2.5112 -0.1676 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2704 -2.4071 1.1693 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0416 -2.0087 1.2822 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1943 -1.6304 0.1408 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0604 -2.5750 0.1325 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8161 -2.2257 0.2329 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3891 -0.8395 0.3687 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4834 -0.4245 -0.8087 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2841 -1.2992 -0.9000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3795 -1.3197 0.2772 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7773 -0.0085 0.6029 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9240 0.0099 1.5613 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0407 1.1811 -0.0204 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3554 2.3704 0.4074 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5226 2.9069 -0.7417 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3671 1.9048 -1.1431 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3426 1.3818 -0.3604 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5314 1.7802 0.8095 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2555 0.2942 -0.8409 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5058 0.8930 -1.4426 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3904 -0.2485 -1.9270 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6852 0.2727 -2.5570 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4417 -0.9503 -2.9971 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7405 -0.6094 -3.6545 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6579 0.1400 -2.7250 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9735 -0.6271 -1.5106 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1688 -1.0069 -1.1353 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3788 -0.7172 -1.8847 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3880 0.0966 -1.0718 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8188 -0.6102 0.1801 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4771 -1.9276 -0.0961 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9308 -2.6302 1.1709 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8065 -2.9301 2.1110 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2861 -3.6391 3.3622 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9469 -4.9460 3.0378 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3651 3.3795 0.8867 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7112 4.5385 1.3099 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7569 5.7161 1.8620 P 0 0 0 0 0 5 0 0 0 0 0 0 -3.1508 5.3450 3.2950 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1770 5.8194 0.9584 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9719 7.2101 1.9644 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5056 7.5500 0.7050 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7963 8.9014 0.7929 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2909 9.2926 -0.5065 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7838 8.3821 -0.8525 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.7763 -1.3892 1.9608 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.0448 -0.2300 2.3747 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.9769 -0.7891 0.7133 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.7391 -2.2941 3.2920 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.8259 -1.8873 1.9624 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.4572 -4.2797 2.0682 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.7109 -4.0640 1.9930 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.7715 -3.3883 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68 1 0 10 69 1 0 11 70 1 0 11 71 1 0 12 72 1 0 13 73 1 0 14 74 1 0 14 75 1 0 15 76 1 0 15 77 1 0 16 78 1 0 16 79 1 0 17 80 1 0 17 81 1 0 21 82 1 0 22 83 1 0 22 84 1 0 26 85 1 0 26 86 1 0 27 87 1 0 27 88 1 0 28 89 1 0 28 90 1 0 29 91 1 0 29 92 1 0 30 93 1 0 30 94 1 0 31 95 1 0 31 96 1 0 32 97 1 0 32 98 1 0 33 99 1 0 34100 1 0 35101 1 0 35102 1 0 36103 1 0 36104 1 0 37105 1 0 37106 1 0 38107 1 0 38108 1 0 39109 1 0 39110 1 0 40111 1 0 40112 1 0 41113 1 0 41114 1 0 42115 1 0 42116 1 0 42117 1 0 43118 1 0 43119 1 0 47120 1 0 49121 1 0 49122 1 0 50123 1 0 50124 1 0 51125 1 0 52126 1 0 52127 1 0 52128 1 0 M END