HMDB0114309 RDKit 3D PE-NMe2(20:3(8Z,11Z,14Z)/20:1(11Z)) 143142 0 0 0 0 0 0 0 0999 V2000 -18.5570 1.6177 1.5089 C 0 0 0 0 0 0 0 0 0 0 0 0 -17.7385 2.7022 0.8621 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.5926 2.0030 0.1425 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.7697 3.0901 -0.5036 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.5970 2.4830 -1.2533 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.7721 1.7416 -0.3044 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.5217 1.9883 -0.0097 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.7808 3.0944 -0.6335 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.3006 4.0739 0.3535 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.0541 4.3727 0.5631 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9203 3.7509 -0.1828 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0175 3.0414 0.7241 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7296 1.7836 0.6401 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2667 0.8975 -0.3788 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2602 0.2184 -1.2306 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3364 1.0211 -2.0515 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3889 1.9350 -1.3548 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4455 1.2418 -0.4067 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5521 0.2574 -1.1371 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6962 -0.3588 -0.0542 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9303 -1.5298 0.2608 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7392 0.3862 0.5060 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8424 0.0447 1.4842 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2034 -0.9124 1.0772 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1456 -2.3370 1.0957 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9079 -2.6284 2.2273 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2932 -4.2988 2.2087 P 0 0 0 0 0 5 0 0 0 0 0 0 -0.5284 -4.9735 3.3042 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9347 -4.4783 2.4522 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8951 -4.9632 0.7044 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9563 -6.3385 0.7099 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6081 -6.9479 -0.6167 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6922 -8.3912 -0.5471 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3570 -8.9682 -1.8380 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1583 -8.9495 0.4589 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9623 -0.4546 -0.0223 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2594 -0.0259 0.0300 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8170 -0.0459 1.1676 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0222 0.4468 -1.1407 C 0 0 0 0 0 0 0 0 0 0 0 0 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H 0 0 0 0 0 0 0 0 0 0 0 0 13.8628 6.8023 1.0477 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 2 0 20 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 2 0 27 29 1 0 27 30 1 0 30 31 1 0 31 32 1 0 32 33 1 0 33 34 1 0 33 35 1 0 24 36 1 0 36 37 1 0 37 38 2 0 37 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 1 0 45 46 1 0 46 47 1 0 47 48 1 0 48 49 2 0 49 50 1 0 50 51 1 0 51 52 1 0 52 53 1 0 53 54 1 0 54 55 1 0 55 56 1 0 56 57 1 0 1 58 1 0 1 59 1 0 1 60 1 0 2 61 1 0 2 62 1 0 3 63 1 0 3 64 1 0 4 65 1 0 4 66 1 0 5 67 1 0 5 68 1 0 6 69 1 0 7 70 1 0 8 71 1 0 8 72 1 0 9 73 1 0 10 74 1 0 11 75 1 0 11 76 1 0 12 77 1 0 13 78 1 0 14 79 1 0 14 80 1 0 15 81 1 0 15 82 1 0 16 83 1 0 16 84 1 0 17 85 1 0 17 86 1 0 18 87 1 0 18 88 1 0 19 89 1 0 19 90 1 0 23 91 1 0 23 92 1 0 24 93 1 0 25 94 1 0 25 95 1 0 29 96 1 0 31 97 1 0 31 98 1 0 32 99 1 0 32100 1 0 34101 1 0 34102 1 0 34103 1 0 35104 1 0 35105 1 0 35106 1 0 39107 1 0 39108 1 0 40109 1 0 40110 1 0 41111 1 0 41112 1 0 42113 1 0 42114 1 0 43115 1 0 43116 1 0 44117 1 0 44118 1 0 45119 1 0 45120 1 0 46121 1 0 46122 1 0 47123 1 0 47124 1 0 48125 1 0 49126 1 0 50127 1 0 50128 1 0 51129 1 0 51130 1 0 52131 1 0 52132 1 0 53133 1 0 53134 1 0 54135 1 0 54136 1 0 55137 1 0 55138 1 0 56139 1 0 56140 1 0 57141 1 0 57142 1 0 57143 1 0 M END