HMDB0009614 RDKit 3D PE(22:5(4Z,7Z,10Z,13Z,16Z)/14:1(9Z)) 121120 0 0 0 0 0 0 0 0999 V2000 -12.7523 2.3522 0.2903 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.4093 3.4951 1.1970 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.5784 4.8468 0.6585 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.7456 5.3189 -0.4659 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.7393 4.7398 -1.7683 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.6321 4.1357 -2.2715 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4853 4.1324 -1.2570 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3286 2.6247 -1.0312 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6306 2.3022 0.2944 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9256 0.8409 0.5660 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2572 -0.1774 -0.2678 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0032 -0.6424 0.5205 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2578 0.5796 0.9242 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0522 0.2751 1.7506 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1449 0.0517 2.9825 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8374 0.2276 1.1759 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6989 -0.0654 1.9347 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.4287 0.5433 1.5147 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7827 -0.2389 0.5803 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4203 -0.0273 -0.0463 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0792 0.9541 0.1038 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7927 -1.2034 -0.9478 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4025 -2.2749 -0.0369 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5533 -3.5531 -0.7914 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7773 -3.9267 -1.1828 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0265 -3.3227 -1.0257 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4265 -2.2314 -0.1748 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5168 -2.5634 0.6995 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9457 -3.9455 0.5253 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1755 -4.2323 -0.2096 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1824 -3.4335 -0.4153 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1936 -2.0823 0.1825 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6072 -1.9791 0.8183 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2928 -0.9455 0.5683 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9431 0.2511 -0.2734 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9877 0.3743 -1.3030 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0611 1.1913 -0.9809 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0151 1.8262 0.3133 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5654 3.2626 0.3837 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0353 3.1095 -0.0145 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8064 4.3541 0.2137 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2552 4.0791 -0.2455 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6243 -1.6647 1.5209 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8231 -1.6150 0.2005 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9798 -2.6836 -0.9350 P 0 0 0 0 0 5 0 0 0 0 0 0 -1.5095 -3.0682 -1.4343 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5854 -1.9257 -2.3740 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6799 -4.1754 -0.7650 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7240 -4.7106 0.4911 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9889 -6.0823 0.3287 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6062 -6.8786 -0.6717 N 0 0 0 0 0 0 0 0 0 0 0 0 -12.1606 2.2349 -0.6017 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.6369 1.3879 0.8800 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.8449 2.4135 0.0528 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.1392 3.4055 2.0734 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.4031 3.3436 1.6859 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.5331 5.5967 1.4981 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.6655 4.8867 0.2768 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8070 5.8348 -0.1058 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.3253 6.3712 -0.7133 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.6333 4.7385 -2.4449 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5042 3.6891 -3.2002 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7014 4.5391 -0.3025 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5767 4.5036 -1.7591 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6035 2.2542 -1.8669 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1787 2.0074 -1.1651 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1041 2.9069 1.0680 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6072 2.5890 0.1332 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0485 0.7699 0.4238 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7486 0.6785 1.6532 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9035 -1.0414 -0.4369 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8794 0.2255 -1.2285 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3729 -1.2742 1.3607 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4685 -1.2973 -0.1680 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9086 1.0830 0.0004 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8681 1.2033 1.5870 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9570 -0.0963 2.9846 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8303 0.8845 2.3983 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6727 1.5809 1.0259 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5927 -0.7502 -1.5931 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0376 -1.5523 -1.5083 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1577 -1.9803 0.6451 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5072 -2.4747 0.6892 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7507 -4.2307 -0.9979 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7304 -4.9065 -1.7448 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2216 -2.8080 -2.1846 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8523 -4.0392 -1.1820 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1036 -1.2272 -0.0943 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7900 -1.7931 1.3320 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2409 -4.3093 1.6549 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1283 -4.6616 0.3755 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2239 -5.2837 -0.6274 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0120 -3.7215 -1.0319 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9384 -1.2904 -0.4134 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6308 -2.1141 1.1752 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9325 -2.8155 1.4673 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3312 -0.9096 1.0402 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6830 1.1108 0.3072 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9947 0.0088 -0.8823 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9787 -0.1109 -2.2290 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8453 1.3038 -1.7365 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9250 2.0453 0.5446 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4339 1.2430 1.1368 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0640 3.9240 -0.2919 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5263 3.6060 1.4153 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4502 2.2039 0.4500 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9963 2.9531 -1.1455 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3646 5.2258 -0.2250 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8728 4.5412 1.3298 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3305 2.9476 -0.3650 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3759 4.6200 -1.1830 H 0 0 0 0 0 0 0 0 0 0 0 0 16.9722 4.3376 0.5520 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5354 -2.0202 2.0317 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6722 -2.0175 1.9157 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5280 -1.7243 -2.2844 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3605 -4.2119 1.3340 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7917 -5.0431 0.6903 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9179 -6.5764 1.2736 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9129 -5.7575 0.0292 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7811 -7.1878 -1.3184 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1877 -6.1912 -1.2549 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 2 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 2 0 14 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 2 0 25 26 1 0 26 27 1 0 27 28 2 0 28 29 1 0 29 30 1 0 30 31 2 0 31 32 1 0 32 33 1 0 33 34 2 0 34 35 1 0 35 36 1 0 36 37 2 0 37 38 1 0 38 39 1 0 39 40 1 0 40 41 1 0 41 42 1 0 17 43 1 0 43 44 1 0 44 45 1 0 45 46 2 0 45 47 1 0 45 48 1 0 48 49 1 0 49 50 1 0 50 51 1 0 1 52 1 0 1 53 1 0 1 54 1 0 2 55 1 0 2 56 1 0 3 57 1 0 3 58 1 0 4 59 1 0 4 60 1 0 5 61 1 0 6 62 1 0 7 63 1 0 7 64 1 0 8 65 1 0 8 66 1 0 9 67 1 0 9 68 1 0 10 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 17 77 1 1 18 78 1 0 18 79 1 0 22 80 1 0 22 81 1 0 23 82 1 0 23 83 1 0 24 84 1 0 25 85 1 0 26 86 1 0 26 87 1 0 27 88 1 0 28 89 1 0 29 90 1 0 29 91 1 0 30 92 1 0 31 93 1 0 32 94 1 0 32 95 1 0 33 96 1 0 34 97 1 0 35 98 1 0 35 99 1 0 36100 1 0 37101 1 0 38102 1 0 38103 1 0 39104 1 0 39105 1 0 40106 1 0 40107 1 0 41108 1 0 41109 1 0 42110 1 0 42111 1 0 42112 1 0 43113 1 0 43114 1 0 47115 1 0 49116 1 0 49117 1 0 50118 1 0 50119 1 0 51120 1 0 51121 1 0 M END