HMDB0009240 RDKit 3D PE(20:0/22:4(7Z,10Z,13Z,16Z)) 143142 0 0 0 0 0 0 0 0999 V2000 -11.4742 -2.6960 2.1758 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.8679 -3.4087 3.3687 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2746 -4.7207 3.0435 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1965 -4.8483 2.0602 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8974 -4.1695 2.2491 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8668 -2.7041 2.2894 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2339 -1.9986 1.4007 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4839 -2.5954 0.2618 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1309 -1.9830 -0.9510 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4317 -1.2715 -1.7845 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9964 -1.0229 -1.6272 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6972 0.4027 -1.3724 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9881 1.1832 -2.1002 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3330 0.7372 -3.3741 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9266 1.6676 -4.3910 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2086 2.5152 -5.0704 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7522 2.6283 -4.8985 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0711 2.4735 -6.2795 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4536 2.4905 -6.0569 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8320 3.7003 -5.2589 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3551 3.7185 -5.0419 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5967 4.8971 -4.0741 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9682 6.0118 -4.4567 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3715 4.6580 -2.7404 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4928 5.5559 -1.6622 C 0 0 2 0 0 0 0 0 0 0 0 0 3.6342 5.0888 -0.7524 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8651 5.0077 -1.4158 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5114 6.0238 -2.0619 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9889 7.1644 -2.1064 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8357 5.8780 -2.7457 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4321 4.5492 -2.3242 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6388 4.5645 -0.8407 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1848 3.2545 -0.2912 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3085 3.4699 1.2029 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7924 2.2614 1.9486 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8492 1.0846 1.7833 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4550 1.4059 2.2864 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5959 0.1686 2.0671 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1705 0.4251 2.5639 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3312 -0.8137 2.3110 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8455 -2.0354 2.9902 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9063 -3.1858 2.6538 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3775 -4.4776 3.2686 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4145 -5.5725 2.9225 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2530 -5.8014 1.4415 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2671 -6.9525 1.1970 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1065 -7.1429 -0.2911 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5520 -5.8716 -0.9399 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1763 5.4700 -0.8970 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0895 6.2636 0.2145 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4295 5.9962 0.9992 P 0 0 0 0 0 5 0 0 0 0 0 0 -1.4223 7.0570 0.6585 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1139 6.0963 2.6549 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8943 4.4471 0.5208 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5050 3.4481 1.3675 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9275 2.0742 0.8964 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4663 1.0698 1.8667 N 0 0 0 0 0 0 0 0 0 0 0 0 -10.7868 -2.6822 1.3102 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.6160 -1.6289 2.4768 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.4369 -3.0974 1.8592 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.7938 -3.6576 4.0163 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3114 -2.7358 4.0060 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1074 -5.4203 2.7135 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9012 -5.1586 4.0163 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5780 -4.7062 0.9897 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9393 -5.9737 2.0275 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6068 -4.4820 3.3527 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0663 -4.6588 1.7003 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3897 -2.1564 3.1152 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2158 -0.9060 1.4279 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5953 -3.7046 0.1889 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4404 -2.3140 0.4199 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2135 -2.1729 -1.0842 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9253 -0.8261 -2.6564 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4581 -1.3947 -2.5666 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5083 -1.5952 -0.8422 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1385 0.8176 -0.4530 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7927 2.2502 -1.8655 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6253 -0.2546 -3.7081 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2485 0.8223 -3.2491 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9865 1.6186 -4.5446 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7086 3.1917 -5.8233 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5031 3.6814 -4.5373 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2873 1.9367 -4.2176 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3213 3.3514 -6.8996 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4081 1.5134 -6.6941 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7887 1.5876 -5.5246 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9378 2.5694 -7.0606 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3671 3.6384 -4.2327 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5018 4.6165 -5.7739 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7546 2.7963 -4.6630 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8076 4.0365 -5.9908 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7607 6.5709 -1.9711 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7058 5.8122 0.0699 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3786 4.0846 -0.3197 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7461 5.9683 -3.8342 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5017 6.6847 -2.3640 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7091 3.7493 -2.6382 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4066 4.4132 -2.8661 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7748 4.8910 -0.2463 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4337 5.3266 -0.6222 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5175 2.4205 -0.5499 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1853 3.0523 -0.7038 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0268 4.3146 1.3569 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3271 3.8141 1.6245 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7821 1.9893 1.5427 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9549 2.5216 3.0056 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7505 0.8463 0.7135 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2195 0.2229 2.3866 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0380 2.2672 1.6886 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4140 1.6084 3.3668 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6346 -0.1313 1.0090 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0381 -0.6137 2.7115 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7357 1.2775 1.9887 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1531 0.6481 3.6319 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3832 -0.9845 1.2100 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3057 -0.5705 2.6707 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8164 -1.9175 4.0939 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8730 -2.2679 2.6806 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8680 -3.3290 1.5542 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9127 -2.9415 3.0482 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4128 -4.7370 2.9101 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4093 -4.3790 4.3676 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7405 -6.5588 3.3535 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4065 -5.3998 3.3677 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7455 -4.9009 1.0090 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1947 -6.0521 0.9368 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2919 -6.6548 1.6455 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6548 -7.8825 1.6499 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1027 -7.3074 -0.7601 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3711 -7.9267 -0.5063 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2271 -5.4274 -0.2735 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3464 -5.1335 -1.1188 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1092 -6.1711 -1.9046 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3704 5.8263 -1.6089 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9433 4.3902 -0.7358 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4475 5.3292 2.9493 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5985 3.4473 1.4424 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8702 3.5672 2.4228 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4818 1.7808 -0.0677 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0286 1.9566 0.8461 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3888 0.1325 1.3858 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5027 1.3372 2.1254 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 2 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 2 0 22 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 28 29 2 0 28 30 1 0 30 31 1 0 31 32 1 0 32 33 1 0 33 34 1 0 34 35 1 0 35 36 1 0 36 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 1 0 47 48 1 0 25 49 1 0 49 50 1 0 50 51 1 0 51 52 2 0 51 53 1 0 51 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 16 82 1 0 17 83 1 0 17 84 1 0 18 85 1 0 18 86 1 0 19 87 1 0 19 88 1 0 20 89 1 0 20 90 1 0 21 91 1 0 21 92 1 0 25 93 1 6 26 94 1 0 26 95 1 0 30 96 1 0 30 97 1 0 31 98 1 0 31 99 1 0 32100 1 0 32101 1 0 33102 1 0 33103 1 0 34104 1 0 34105 1 0 35106 1 0 35107 1 0 36108 1 0 36109 1 0 37110 1 0 37111 1 0 38112 1 0 38113 1 0 39114 1 0 39115 1 0 40116 1 0 40117 1 0 41118 1 0 41119 1 0 42120 1 0 42121 1 0 43122 1 0 43123 1 0 44124 1 0 44125 1 0 45126 1 0 45127 1 0 46128 1 0 46129 1 0 47130 1 0 47131 1 0 48132 1 0 48133 1 0 48134 1 0 49135 1 0 49136 1 0 53137 1 0 55138 1 0 55139 1 0 56140 1 0 56141 1 0 57142 1 0 57143 1 0 M END