HMDB0009276 RDKit 3D PE(20:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) 137136 0 0 0 0 0 0 0 0999 V2000 3.3346 1.3621 -2.1415 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1964 1.9681 -1.4257 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8428 1.6070 -1.8341 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0207 1.0614 -0.9755 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4500 0.7972 0.4035 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2060 1.5935 1.4250 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9245 1.1831 2.3997 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3043 -0.2353 2.7800 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7720 -0.3306 2.7655 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4689 -1.2177 2.1273 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9874 -2.3147 1.3052 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3707 -2.3317 -0.1075 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2363 -3.2592 -0.5630 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8655 -4.2635 0.2245 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7833 -5.6734 0.2108 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1222 -6.5348 -0.4392 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1426 -6.4587 -1.4692 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6437 -5.2795 -2.1152 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3826 -4.8918 -1.9990 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3875 -5.6126 -1.2012 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7484 -6.1928 -1.9710 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5600 -5.2475 -2.7428 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7535 -5.6217 -3.0030 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1254 -4.0193 -3.1927 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0683 -3.2541 -3.9258 C 0 0 2 0 0 0 0 0 0 0 0 0 2.1980 -1.8532 -3.4115 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5667 -1.7180 -2.0723 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6869 -2.2360 -1.4781 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4317 -2.9274 -2.2628 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0734 -2.0630 -0.0852 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1903 -2.6546 0.9538 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6974 -2.4092 2.3565 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8233 -0.9431 2.6882 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3640 -0.7982 4.0899 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5762 0.6007 4.5396 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3654 1.4759 4.6036 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3217 0.9870 5.5458 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1016 1.9143 5.6313 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5229 3.2327 6.0865 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3484 4.3331 5.4316 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6864 4.4024 4.1151 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5629 5.2901 4.2038 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2356 5.3758 2.8828 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3989 5.9666 1.7980 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1736 6.0757 0.5078 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6653 4.7673 -0.0352 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4662 4.9940 -1.3264 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9499 3.6432 -1.8442 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5449 -3.0920 -5.3757 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3222 -2.4410 -5.3813 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1636 -2.3193 -6.9992 P 0 0 0 0 0 5 0 0 0 0 0 0 1.0729 -2.2973 -7.8883 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0606 -3.6731 -7.4733 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0182 -0.9117 -7.2777 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8992 -0.4229 -8.5709 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7400 0.8494 -8.6464 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2014 1.7753 -7.6691 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9436 0.6419 -1.5920 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9632 0.9170 -3.1121 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0407 2.1566 -2.4598 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2597 3.0924 -1.7163 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3579 2.0948 -0.3252 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5200 1.8032 -2.8856 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9820 0.8112 -1.3144 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0600 -0.2760 0.5835 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4991 0.6637 0.6068 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0998 2.7225 1.4232 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3680 1.9473 3.1155 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0105 -0.3327 3.8740 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7572 -0.9936 2.2649 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2747 0.4632 3.3802 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5970 -1.0897 2.2497 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1760 -3.2989 1.7773 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8169 -2.3006 1.3563 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9788 -1.6184 -0.8065 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4571 -3.1362 -1.6417 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0585 -4.0170 0.1014 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8199 -3.9018 1.3204 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5020 -6.1674 0.9902 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3658 -7.6268 -0.1306 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2616 -7.1662 -1.2497 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5871 -7.0873 -2.3764 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2582 -4.6539 -2.7839 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0795 -3.9779 -2.5288 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1174 -4.8240 -0.5077 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7608 -6.3708 -0.5052 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4244 -6.6985 -1.2098 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4050 -7.0595 -2.6079 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0516 -3.7271 -4.0132 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8784 -1.2866 -4.0986 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1676 -1.4069 -3.5906 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2538 -0.9736 0.0879 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0984 -2.5173 0.0630 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1768 -2.2667 0.8791 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1336 -3.7554 0.8251 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9656 -2.8500 3.0598 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6421 -2.9401 2.4708 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5539 -0.4598 2.0064 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8864 -0.3985 2.6339 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6018 -1.2526 4.7706 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3152 -1.3828 4.2175 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3095 1.1272 3.8631 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0681 0.6514 5.5446 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7064 2.4746 4.9709 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9376 1.6592 3.6000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7469 0.8600 6.5642 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9670 -0.0097 5.2211 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3934 1.4819 6.4089 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5799 1.8491 4.6901 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0275 3.2810 7.0664 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6955 5.2946 5.8370 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4245 3.4706 3.6401 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3863 5.0277 3.4736 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2433 6.3287 4.5160 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2227 4.8448 4.9668 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4886 4.3213 2.5607 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2075 5.9261 3.0075 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0835 6.9998 2.0607 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5201 5.3696 1.5968 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5538 6.5729 -0.2839 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0237 6.7652 0.7053 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2727 4.2503 0.7040 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7963 4.1022 -0.3118 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3698 5.5900 -1.0909 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8504 5.5135 -2.0589 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9083 3.7117 -2.3780 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2000 3.2719 -2.5806 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9742 2.8894 -1.0192 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2701 -2.4825 -5.9522 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4327 -4.0963 -5.7985 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9557 -3.4450 -7.8151 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2852 -1.1221 -9.3353 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1688 -0.1925 -8.7419 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7050 1.3204 -9.6348 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7814 0.6320 -8.3637 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4123 1.3816 -7.1447 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9488 2.1776 -7.0459 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 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 2 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 2 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 4 64 1 0 5 65 1 0 5 66 1 0 6 67 1 0 7 68 1 0 8 69 1 0 8 70 1 0 9 71 1 0 10 72 1 0 11 73 1 0 11 74 1 0 12 75 1 0 13 76 1 0 14 77 1 0 14 78 1 0 15 79 1 0 16 80 1 0 17 81 1 0 17 82 1 0 18 83 1 0 19 84 1 0 20 85 1 0 20 86 1 0 21 87 1 0 21 88 1 0 25 89 1 6 26 90 1 0 26 91 1 0 30 92 1 0 30 93 1 0 31 94 1 0 31 95 1 0 32 96 1 0 32 97 1 0 33 98 1 0 33 99 1 0 34100 1 0 34101 1 0 35102 1 0 35103 1 0 36104 1 0 36105 1 0 37106 1 0 37107 1 0 38108 1 0 38109 1 0 39110 1 0 40111 1 0 41112 1 0 41113 1 0 42114 1 0 42115 1 0 43116 1 0 43117 1 0 44118 1 0 44119 1 0 45120 1 0 45121 1 0 46122 1 0 46123 1 0 47124 1 0 47125 1 0 48126 1 0 48127 1 0 48128 1 0 49129 1 0 49130 1 0 53131 1 0 55132 1 0 55133 1 0 56134 1 0 56135 1 0 57136 1 0 57137 1 0 M END