HMDB0008905 RDKit 3D PE(15:0/20:4(8Z,11Z,14Z,17Z)) 122121 0 0 0 0 0 0 0 0999 V2000 15.4818 4.2753 -0.2172 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1524 4.0871 -1.1138 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1486 2.6902 -1.4830 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2864 1.7504 -1.2949 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0035 1.9499 -0.6296 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2833 3.0990 -0.2602 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8455 3.1294 -0.7377 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6672 1.8682 -1.5258 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2977 0.7437 -0.7270 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8895 0.6162 0.5082 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6544 1.7208 1.4235 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2977 1.4995 2.1103 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4992 0.4854 1.8372 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7617 -0.6017 0.8650 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3503 -1.2458 0.7480 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5082 -0.1225 0.2203 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1547 -0.5649 0.6779 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9844 -2.0178 0.1635 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7080 -2.4584 0.8731 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6985 -1.4690 0.2609 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6469 -0.3565 0.7240 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0127 -1.9916 -0.8366 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7833 -1.1756 -1.6108 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.6909 -0.2703 -0.8023 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3539 -1.0060 0.2405 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1034 -0.4246 1.2059 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1899 0.9060 1.0796 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9214 -0.8478 2.3669 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4120 -0.7796 1.7757 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4644 -1.7819 0.7376 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5866 -1.8801 -0.2759 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6617 -0.6983 -1.1387 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3260 0.5508 -0.8500 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8838 0.4584 -0.9954 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4464 1.8335 -0.7837 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5671 2.3349 0.6214 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.7174 1.5621 1.2977 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.9775 1.8352 0.4492 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.2388 3.3027 0.3680 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.4608 3.5552 -0.4890 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.7092 5.0538 -0.6477 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6554 -2.0758 -2.5198 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1695 -2.9922 -1.7295 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7167 -4.1206 -0.8923 P 0 0 0 0 0 5 0 0 0 0 0 0 -4.2873 -4.2356 -1.1926 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7457 -3.8328 0.8155 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1894 -5.7766 -1.0134 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0769 -5.9448 -0.1373 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6395 -7.3843 0.0931 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2029 -8.1080 -1.0589 N 0 0 0 0 0 0 0 0 0 0 0 0 15.3533 5.3049 0.1132 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3426 3.5543 0.6219 H 0 0 0 0 0 0 0 0 0 0 0 0 16.2716 4.0910 -0.9292 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3183 4.5178 -0.6064 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3667 4.6476 -2.0356 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0957 2.2970 -1.9593 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4348 0.7555 -1.6539 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1803 1.4175 0.4688 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3584 1.0565 -0.9883 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4945 3.8752 0.3962 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3271 3.9492 -0.5092 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8256 2.1043 -2.2559 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4971 1.7776 -2.2861 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2816 -0.2711 -1.2247 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8568 -0.3642 0.9730 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4194 2.6536 0.8473 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3920 1.9265 2.1653 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0343 2.2394 2.8408 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5690 0.4565 2.4375 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8580 -0.2264 -0.2022 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3687 -1.4165 1.1415 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5418 -2.0684 0.0054 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0848 -1.6105 1.7699 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6816 0.8717 0.5843 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4866 -0.1122 -0.9376 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4274 0.1507 0.3899 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1097 -0.6730 1.8252 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7978 -2.6719 0.3637 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6030 -1.9675 -0.9158 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4331 -3.5231 0.6378 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6957 -2.2598 1.8984 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1146 -0.3940 -2.1563 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4461 0.2183 -1.4849 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1558 0.5488 -0.3339 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8024 -1.8181 2.7558 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9301 -0.0407 3.1179 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9755 -1.0469 2.6592 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4108 0.3129 1.4763 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4950 -1.7438 0.0959 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3619 -2.8588 1.1574 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4546 -2.8085 -0.8755 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5525 -2.0422 0.3059 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0154 -1.0911 -2.1863 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5615 -0.4927 -1.4328 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9971 1.3540 -1.5979 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2292 0.9062 0.2062 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2599 -0.2486 -0.2121 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1459 0.0896 -1.9762 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6400 2.5141 -1.2365 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3068 1.9884 -1.4367 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7040 3.4055 0.6477 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6406 2.1199 1.1683 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4961 0.5077 1.1931 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8251 1.9739 2.2783 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.9205 1.3331 -0.5261 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.8191 1.3819 0.9920 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.4063 3.8930 -0.0890 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.4763 3.7356 1.3790 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.2739 3.0721 -1.4751 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.3804 3.1199 -0.0605 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.8081 5.5135 0.3202 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.5535 5.2472 -1.3034 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.8096 5.4874 -1.1834 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4081 -1.3171 -2.9996 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0504 -2.3813 -3.4228 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8427 -3.6691 1.1817 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2191 -5.4447 0.7790 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1473 -5.4836 -0.6558 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5213 -7.9809 0.4820 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1216 -7.4008 0.8668 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0138 -8.5543 -1.5354 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3874 -7.5325 -1.6586 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 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 2 0 26 28 1 0 28 29 1 0 29 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 23 42 1 0 42 43 1 0 43 44 1 0 44 45 2 0 44 46 1 0 44 47 1 0 47 48 1 0 48 49 1 0 49 50 1 0 1 51 1 0 1 52 1 0 1 53 1 0 2 54 1 0 2 55 1 0 3 56 1 0 4 57 1 0 5 58 1 0 5 59 1 0 6 60 1 0 7 61 1 0 8 62 1 0 8 63 1 0 9 64 1 0 10 65 1 0 11 66 1 0 11 67 1 0 12 68 1 0 13 69 1 0 14 70 1 0 14 71 1 0 15 72 1 0 15 73 1 0 16 74 1 0 16 75 1 0 17 76 1 0 17 77 1 0 18 78 1 0 18 79 1 0 19 80 1 0 19 81 1 0 23 82 1 6 24 83 1 0 24 84 1 0 28 85 1 0 28 86 1 0 29 87 1 0 29 88 1 0 30 89 1 0 30 90 1 0 31 91 1 0 31 92 1 0 32 93 1 0 32 94 1 0 33 95 1 0 33 96 1 0 34 97 1 0 34 98 1 0 35 99 1 0 35100 1 0 36101 1 0 36102 1 0 37103 1 0 37104 1 0 38105 1 0 38106 1 0 39107 1 0 39108 1 0 40109 1 0 40110 1 0 41111 1 0 41112 1 0 41113 1 0 42114 1 0 42115 1 0 46116 1 0 48117 1 0 48118 1 0 49119 1 0 49120 1 0 50121 1 0 50122 1 0 M END