HMDB0009551 RDKit 3D PE(22:2(13Z,16Z)/16:1(9Z)) 133132 0 0 0 0 0 0 0 0999 V2000 12.8413 1.5861 2.1017 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2917 1.2514 2.1440 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9999 0.9640 0.8922 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6476 -0.1730 0.0580 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3385 -0.2395 -0.6347 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1088 0.8555 -1.5613 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0483 1.6041 -1.5807 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8580 1.4913 -0.6806 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6323 1.2647 -1.5024 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8891 0.2203 -1.4103 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0989 -0.9391 -0.4914 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2603 -2.2134 -1.2852 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1059 -2.6552 -2.0804 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8808 -3.1447 -1.4701 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0268 -2.4266 -0.5434 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4064 -1.1407 -0.9233 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5439 -1.1404 -2.1361 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3732 -2.0461 -2.1314 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3731 -1.8211 -1.0384 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2066 -2.7746 -1.1457 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2479 -2.5049 -0.0135 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2220 -1.0837 -0.0653 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2744 -0.2750 0.7630 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1499 -0.6036 -0.9495 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6849 0.6483 -1.0909 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6932 1.1698 -0.1573 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.3283 1.4398 1.2512 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2526 0.3118 2.0456 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8481 0.5912 3.6353 P 0 0 0 0 0 5 0 0 0 0 0 0 -2.6443 1.6996 4.2853 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2164 -0.8342 4.5118 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2042 0.8801 3.8048 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2079 0.8231 5.1265 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6649 1.0747 5.3329 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5386 0.1455 4.6569 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.9299 0.4195 -0.2124 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0768 0.9156 -0.7356 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1198 2.0734 -1.2100 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.3940 0.1320 -0.8010 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2814 -0.8893 0.2603 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2240 -1.9563 0.5035 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6274 -1.7961 0.8112 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6570 -1.3485 -0.1074 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7461 -0.0517 -0.7509 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8514 1.0793 0.2563 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.0555 0.9648 1.0939 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.9755 1.9134 1.0822 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.9569 3.1547 0.2880 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.1890 3.1422 -0.6270 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.0638 1.9104 -1.5182 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.2579 1.8620 -2.4484 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.2055 0.6711 -3.3729 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.4542 0.7452 -4.2554 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6031 2.1944 3.0505 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6135 2.3184 1.2922 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1469 0.7394 2.1788 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8321 2.1015 2.6565 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4038 0.3334 2.8195 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1292 0.9419 1.1272 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9148 1.9322 0.2586 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4867 -0.4365 -0.6817 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6635 -1.1177 0.7359 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2830 -1.2000 -1.2343 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5539 -0.3623 0.1419 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8887 1.0772 -2.3102 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9721 2.4303 -2.3296 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9631 0.8244 0.1456 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7202 2.5286 -0.2495 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3458 2.0460 -2.2362 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0217 0.1566 -2.0851 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1938 -0.9593 0.1492 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9367 -0.7973 0.2201 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7096 -3.0249 -0.6556 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1035 -1.9827 -2.0128 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4555 -3.4914 -2.7958 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8521 -1.8449 -2.8569 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1014 -4.2007 -1.0249 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2098 -3.4869 -2.3511 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1233 -3.1429 -0.3493 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4091 -2.3362 0.5109 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7116 -0.8743 -0.0470 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1012 -0.3092 -0.9589 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1322 -0.0889 -2.2210 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1606 -1.2328 -3.0743 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6347 -3.1261 -2.1495 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8303 -1.8735 -3.1056 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9707 -0.8039 -1.0093 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8776 -2.0608 -0.0684 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5339 -3.8318 -1.1403 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6288 -2.5871 -2.0957 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7017 -2.7160 0.9677 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6652 -3.1316 -0.0847 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1134 0.7999 -2.1368 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7978 1.3818 -1.1124 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0387 2.1901 -0.5837 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9944 2.2123 1.7000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3022 1.9132 1.2633 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5732 -1.5569 4.2960 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0166 -0.2348 5.4710 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3469 1.5044 5.7951 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9829 2.1166 5.1377 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8552 0.9038 6.4349 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5386 0.2414 3.6207 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2443 -0.8422 4.8966 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5082 -0.2729 -1.7964 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1879 0.8941 -0.6007 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0665 -0.3134 1.2650 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2375 -1.4026 0.1774 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7929 -2.6456 1.3718 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1007 -2.7736 -0.3389 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6531 -1.0878 1.7531 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9961 -2.7787 1.3326 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8202 -2.1827 -0.9012 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6726 -1.4771 0.4599 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7832 -0.0750 -1.3065 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0850 0.1929 -1.5779 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9734 0.9071 0.9648 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6529 2.0609 -0.1762 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2132 0.0847 1.7507 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.8410 1.7258 1.7545 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1021 3.3203 -0.3479 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.0224 4.0342 0.9826 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.1817 4.0674 -1.2244 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.0676 3.0833 0.0186 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.0857 0.9923 -0.9198 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.1319 1.9817 -2.0887 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.1809 1.8376 -1.8592 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.1849 2.7595 -3.1057 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.3183 0.7383 -4.0296 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.1586 -0.2492 -2.7873 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.3255 0.6304 -3.5642 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.4807 1.7783 -4.6728 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.4569 -0.0115 -5.0433 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 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 1 54 1 0 1 55 1 0 1 56 1 0 2 57 1 0 2 58 1 0 3 59 1 0 3 60 1 0 4 61 1 0 4 62 1 0 5 63 1 0 5 64 1 0 6 65 1 0 7 66 1 0 8 67 1 0 8 68 1 0 9 69 1 0 10 70 1 0 11 71 1 0 11 72 1 0 12 73 1 0 12 74 1 0 13 75 1 0 13 76 1 0 14 77 1 0 14 78 1 0 15 79 1 0 15 80 1 0 16 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 0 25 94 1 0 26 95 1 6 27 96 1 0 27 97 1 0 31 98 1 0 33 99 1 0 33100 1 0 34101 1 0 34102 1 0 35103 1 0 35104 1 0 39105 1 0 39106 1 0 40107 1 0 40108 1 0 41109 1 0 41110 1 0 42111 1 0 42112 1 0 43113 1 0 43114 1 0 44115 1 0 44116 1 0 45117 1 0 45118 1 0 46119 1 0 47120 1 0 48121 1 0 48122 1 0 49123 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 53133 1 0 M END