HMDB0009562 RDKit 3D PE(22:2(13Z,16Z)/20:3(5Z,8Z,11Z)) 141140 0 0 0 0 0 0 0 0999 V2000 2.7987 -9.0129 -1.0686 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0175 -8.4511 -1.7736 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6508 -7.2821 -2.6329 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8097 -6.6837 -3.3631 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9111 -6.1652 -2.4536 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4240 -5.1224 -1.5476 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8698 -3.9004 -1.4988 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9193 -3.3730 -2.3311 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7113 -2.3024 -3.2770 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6389 -1.6548 -3.6214 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2958 -1.8832 -3.0939 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3823 -2.2183 -4.2997 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9986 -2.5122 -3.8062 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3808 -1.3445 -3.0362 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0423 -1.7327 -2.5412 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7501 -0.7908 -1.7546 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3179 0.4133 -2.3689 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3843 1.3358 -3.0307 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1710 2.5905 -3.4846 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2085 3.4868 -4.1892 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9828 4.7207 -4.6119 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5356 5.4528 -3.4688 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7878 6.3309 -2.9466 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8048 5.2565 -2.9165 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1295 6.0559 -1.8261 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4815 5.8515 -1.2296 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.4627 6.6636 0.0887 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3883 6.2050 0.8644 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1998 6.9982 2.3158 P 0 0 0 0 0 5 0 0 0 0 0 0 -3.7733 8.4110 2.1962 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0299 6.2165 3.5469 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5402 7.1610 2.7075 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7748 6.6069 1.6775 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6959 6.6972 1.9233 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3902 6.0893 0.7889 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.6842 4.4967 -0.7731 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7772 3.7735 -1.1639 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5868 4.3749 -1.9553 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.1551 2.4088 -0.8067 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6485 1.9025 0.4982 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1320 0.4773 0.7327 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6235 -0.3912 -0.3036 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8723 -1.4300 -0.0774 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4539 -1.8403 1.2625 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9919 -1.8413 1.3251 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2654 -1.1339 2.1313 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9037 -0.1995 3.1230 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3718 1.1682 2.8424 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7080 1.8801 3.7190 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3873 1.4621 5.0874 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1413 1.4286 5.2582 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7767 0.4622 4.3008 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2651 0.3995 4.4327 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6190 -0.0306 5.8321 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1214 -0.1180 6.0525 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3063 -0.5777 7.4898 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6700 0.4453 8.3970 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0194 -9.2331 -1.8283 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0424 -9.8739 -0.4373 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3905 -8.2176 -0.4143 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4855 -9.2742 -2.3340 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7520 -8.1083 -1.0145 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9541 -7.6735 -3.4335 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0758 -6.5260 -2.0789 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4322 -5.8797 -4.0189 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2816 -7.4332 -4.0216 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3573 -7.0337 -1.9060 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6990 -5.7934 -3.1193 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6031 -5.3672 -0.8263 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4479 -3.1922 -0.7172 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6898 -2.9369 -1.5477 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5853 -4.1912 -2.7568 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6551 -1.9460 -3.8329 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7456 -0.8287 -4.4050 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9072 -0.8666 -2.7781 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1353 -2.5890 -2.3061 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7764 -3.1168 -4.7750 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3794 -1.3908 -5.0300 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0535 -3.4127 -3.1536 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3528 -2.7619 -4.6652 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5101 -0.4126 -3.5631 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0385 -1.2660 -2.0979 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5986 -2.1558 -3.3913 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1630 -2.6711 -1.8983 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6387 -1.3359 -1.2467 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1644 -0.4224 -0.8334 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1374 0.1474 -3.1159 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8721 1.0340 -1.5894 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4732 1.6718 -2.4675 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1225 0.8832 -4.0466 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6059 3.1148 -2.6227 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9652 2.2272 -4.1460 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0783 2.9708 -5.1414 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7168 3.6975 -3.6602 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2757 5.3778 -5.1547 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7420 4.4145 -5.3500 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1265 7.1165 -2.2081 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3730 6.0340 -1.0150 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2772 6.2130 -1.8689 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4129 7.7441 -0.1264 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3673 6.4755 0.6866 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9969 5.2458 3.5308 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0406 5.5269 1.5336 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0625 7.1372 0.7473 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0321 7.7447 2.0225 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9564 6.0785 2.8039 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3450 5.0620 0.9245 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3519 6.4722 0.6639 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2619 2.2524 -0.8227 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7640 1.7427 -1.6235 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0905 2.4978 1.3542 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5724 1.9259 0.6477 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2648 0.5378 0.5730 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0409 0.1740 1.7710 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8725 -0.2000 -1.3549 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4990 -2.0762 -0.9072 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9539 -1.4086 2.1106 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7399 -2.9670 1.3023 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4580 -2.5097 0.6266 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1523 -1.1796 2.1294 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9859 -0.1097 3.0207 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5995 -0.5477 4.1309 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5538 1.5738 1.8541 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3639 2.8803 3.3980 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7227 2.3279 5.7551 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8492 0.5573 5.4314 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2778 1.1363 6.3329 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5668 2.4453 5.1546 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5467 0.8418 3.2684 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3631 -0.5588 4.3891 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6594 -0.3994 3.7594 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7629 1.3311 4.1286 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2227 -1.0455 6.0528 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2358 0.7047 6.5463 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5950 -0.8349 5.3631 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5593 0.8876 5.9391 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3862 -0.7328 7.7011 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7530 -1.5488 7.6577 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6043 1.4120 7.8441 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2907 0.6195 9.3241 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6453 0.1449 8.6680 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 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 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 1 0 29 30 2 0 29 31 1 0 29 32 1 0 32 33 1 0 33 34 1 0 34 35 1 0 26 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 2 0 43 44 1 0 44 45 1 0 45 46 2 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 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 20 93 1 0 20 94 1 0 21 95 1 0 21 96 1 0 25 97 1 0 25 98 1 0 26 99 1 6 27100 1 0 27101 1 0 31102 1 0 33103 1 0 33104 1 0 34105 1 0 34106 1 0 35107 1 0 35108 1 0 39109 1 0 39110 1 0 40111 1 0 40112 1 0 41113 1 0 41114 1 0 42115 1 0 43116 1 0 44117 1 0 44118 1 0 45119 1 0 46120 1 0 47121 1 0 47122 1 0 48123 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 54133 1 0 54134 1 0 55135 1 0 55136 1 0 56137 1 0 56138 1 0 57139 1 0 57140 1 0 57141 1 0 M END