HMDB0009680 RDKit 3D PE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/14:1(9Z)) 119118 0 0 0 0 0 0 0 0999 V2000 9.5496 1.7561 -3.6146 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5759 0.8239 -2.9717 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1839 -0.5504 -3.2850 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8774 -1.4809 -2.4186 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8929 -1.2331 -0.9586 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8407 -2.1190 -0.2551 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4522 -2.9527 0.6765 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0524 -3.1263 1.1460 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9967 -2.7881 2.5710 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2517 -1.8267 3.0304 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4040 -1.0066 2.1342 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9002 0.3887 2.2698 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2332 1.4254 2.6230 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7973 1.4278 2.9637 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1496 2.4222 2.0781 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2028 2.2199 1.2463 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4783 1.0310 0.8931 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7791 -0.2718 1.4025 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9800 -0.9724 2.1638 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6559 -0.5827 2.6411 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5871 -1.5263 2.2118 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4383 -1.6464 0.7590 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6092 -2.2346 0.3337 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3464 -1.1695 -0.1226 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2116 -1.2526 -1.5112 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1249 -0.3468 -1.9967 C 0 0 2 0 0 0 0 0 0 0 0 0 0.5569 1.0752 -1.5532 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3861 1.9760 -2.0097 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0078 3.5633 -1.5727 P 0 0 0 0 0 5 0 0 0 0 0 0 -0.2845 4.4574 -2.7465 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6598 3.6940 -1.2276 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9477 3.9911 -0.2713 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7254 5.1123 -0.4957 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5198 5.3429 0.7947 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3048 4.1460 0.9922 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0897 -0.6072 -1.4266 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2827 -0.7701 -2.0948 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3572 -0.6919 -3.3303 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4797 -1.0407 -1.2810 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6962 -1.0790 -2.1624 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9480 -1.3479 -1.3307 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1604 -1.3668 -2.2133 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3930 -1.6137 -1.3913 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3169 -2.9326 -0.7012 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5618 -3.1788 0.1445 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6567 -2.1269 1.1624 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.6158 -1.2670 1.3507 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.8246 -1.2292 0.5086 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.9246 0.1398 -0.1567 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.0110 1.2344 0.9027 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.2481 0.9508 1.7264 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3285 2.5944 -2.9426 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5780 1.2086 -3.7651 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8785 2.1033 -4.5944 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5549 1.0769 -3.5106 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7748 1.0822 -1.9380 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1385 -0.8414 -4.3547 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6016 -2.4689 -2.7860 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8452 -1.2902 -0.6317 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1821 -0.1692 -0.6946 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8879 -2.0261 -0.5694 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2397 -3.5686 1.1418 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3603 -2.6974 0.4681 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8749 -4.2789 1.1426 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6323 -3.4042 3.2530 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2155 -1.5766 4.1079 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2656 -1.3292 1.1258 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3679 -1.1188 2.6141 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9701 0.5319 2.0357 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7256 2.4179 2.6935 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3938 0.4412 2.9722 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6943 1.7969 4.0573 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5474 3.4938 2.1506 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8508 3.1655 0.6598 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3533 1.2348 1.0258 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4898 1.0110 -0.2824 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7326 -0.7387 1.0983 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3289 -1.9684 2.4902 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3824 0.4828 2.5137 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7118 -0.6981 3.7839 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7500 -2.5229 2.7027 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3838 -1.1025 2.6219 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0289 -2.3212 -1.7921 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1755 -0.9932 -2.0182 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0699 -0.3132 -3.1182 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5904 1.2964 -1.8618 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5128 1.1031 -0.4487 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0520 4.5049 -1.6391 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4619 4.9748 -1.2995 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1150 6.0117 -0.7441 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2202 6.1933 0.6960 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8469 5.4963 1.6528 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6412 3.7299 0.0890 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1035 4.2613 1.6284 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3515 -1.9934 -0.7234 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5696 -0.2527 -0.4998 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5511 -1.8530 -2.9264 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7832 -0.0951 -2.6691 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0602 -0.6235 -0.5203 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7662 -2.3822 -0.9079 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2116 -0.4253 -2.7899 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0704 -2.1858 -2.9710 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4429 -0.7939 -0.6242 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2636 -1.5271 -2.0780 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2305 -3.7732 -1.3989 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4494 -2.9629 -0.0057 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4618 -3.3141 -0.4580 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3499 -4.1605 0.6601 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7776 -2.0759 1.8543 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4849 -0.5568 2.1802 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.8425 -1.9597 -0.3071 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.7266 -1.3841 1.1679 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0256 0.3018 -0.7577 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.8500 0.1397 -0.7378 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.0985 2.1948 0.3507 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1166 1.2649 1.5226 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.5876 1.9251 2.1732 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.0173 0.2840 2.5710 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.0681 0.5838 1.0739 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 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 1 52 1 0 1 53 1 0 1 54 1 0 2 55 1 0 2 56 1 0 3 57 1 0 4 58 1 0 5 59 1 0 5 60 1 0 6 61 1 0 7 62 1 0 8 63 1 0 8 64 1 0 9 65 1 0 10 66 1 0 11 67 1 0 11 68 1 0 12 69 1 0 13 70 1 0 14 71 1 0 14 72 1 0 15 73 1 0 16 74 1 0 17 75 1 0 17 76 1 0 18 77 1 0 19 78 1 0 20 79 1 0 20 80 1 0 21 81 1 0 21 82 1 0 25 83 1 0 25 84 1 0 26 85 1 6 27 86 1 0 27 87 1 0 31 88 1 0 33 89 1 0 33 90 1 0 34 91 1 0 34 92 1 0 35 93 1 0 35 94 1 0 39 95 1 0 39 96 1 0 40 97 1 0 40 98 1 0 41 99 1 0 41100 1 0 42101 1 0 42102 1 0 43103 1 0 43104 1 0 44105 1 0 44106 1 0 45107 1 0 45108 1 0 46109 1 0 47110 1 0 48111 1 0 48112 1 0 49113 1 0 49114 1 0 50115 1 0 50116 1 0 51117 1 0 51118 1 0 51119 1 0 M END