HMDB0009263 RDKit 3D PE(20:1(11Z)/20:1(11Z)) 141140 0 0 0 0 0 0 0 0999 V2000 4.0396 0.7288 -5.2701 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7012 1.3914 -5.0892 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7882 2.4771 -4.0161 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4640 3.1500 -3.8240 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3597 2.2232 -3.3964 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6520 1.5478 -2.0871 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5456 0.6382 -1.7879 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3072 -0.0776 -0.4598 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4880 -0.9457 -0.2399 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5016 -2.2375 -0.1229 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2463 -3.0611 -0.2025 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0488 -3.8091 1.0652 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0794 -4.7023 1.2744 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4916 -4.2907 1.3743 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0612 -3.6039 0.2148 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4955 -3.2188 0.2206 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9794 -2.1660 1.1175 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7791 -2.3760 2.5589 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4403 -1.2587 3.3940 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7832 0.0686 3.0643 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3778 1.0970 3.3976 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5886 0.1408 2.4319 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8625 1.2236 2.0878 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2074 2.0909 3.0879 C 0 0 2 0 0 0 0 0 0 0 0 0 3.0945 2.9148 3.9455 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3648 3.9010 4.6478 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5273 4.7193 5.5875 P 0 0 0 0 0 5 0 0 0 0 0 0 2.8331 5.5750 6.5974 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4863 3.5419 6.3718 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5791 5.6323 4.6494 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9638 6.5387 3.8164 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0567 7.2772 3.0414 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4442 8.2397 2.1553 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2757 1.3289 3.8434 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0679 1.5778 3.7961 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4437 2.5087 3.0397 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0766 0.8206 4.5772 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4517 1.2784 4.1814 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8227 1.0263 2.7624 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2354 1.5693 2.5333 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6085 1.2698 1.0786 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9726 1.7914 0.7426 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3876 1.5066 -0.6620 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4556 0.0264 -0.9043 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8530 -0.2741 -2.3456 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9401 -1.7217 -2.5259 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2029 -2.4125 -3.3654 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1923 -1.8515 -4.2372 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8043 -2.4283 -3.9792 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7873 -3.9181 -4.2024 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4710 -4.5698 -3.9635 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3477 -4.0680 -4.8291 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0930 -4.8302 -4.4681 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1150 -4.4270 -5.2627 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5083 -2.9837 -5.0944 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9391 -0.3266 -5.5925 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6409 0.8012 -4.3520 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5884 1.2989 -6.0580 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9633 0.6334 -4.7672 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4084 1.8760 -6.0428 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1500 1.9805 -3.0960 H 0 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1 0 12 13 1 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 24 34 1 0 34 35 1 0 35 36 2 0 35 37 1 0 37 38 1 0 38 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 2 0 47 48 1 0 48 49 1 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 1 56 1 0 1 57 1 0 1 58 1 0 2 59 1 0 2 60 1 0 3 61 1 0 3 62 1 0 4 63 1 0 4 64 1 0 5 65 1 0 5 66 1 0 6 67 1 0 6 68 1 0 7 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 12 78 1 0 13 79 1 0 13 80 1 0 14 81 1 0 14 82 1 0 15 83 1 0 15 84 1 0 16 85 1 0 16 86 1 0 17 87 1 0 17 88 1 0 18 89 1 0 18 90 1 0 19 91 1 0 19 92 1 0 23 93 1 0 23 94 1 0 24 95 1 6 25 96 1 0 25 97 1 0 29 98 1 0 31 99 1 0 31100 1 0 32101 1 0 32102 1 0 33103 1 0 33104 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 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