HMDB0009739 RDKit 3D PE(24:0/24:0) 169168 0 0 0 0 0 0 0 0999 V2000 -20.6295 3.8589 0.6294 C 0 0 0 0 0 0 0 0 0 0 0 0 -19.2321 3.4924 1.0586 C 0 0 0 0 0 0 0 0 0 0 0 0 -18.8563 2.0928 0.6131 C 0 0 0 0 0 0 0 0 0 0 0 0 -17.4470 1.8317 1.1037 C 0 0 0 0 0 0 0 0 0 0 0 0 -17.0103 0.4455 0.6925 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.5918 0.1787 1.2006 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.1281 -1.1872 0.8214 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.7739 -1.5755 1.2605 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.6478 -0.6892 0.7093 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.6190 -0.6966 -0.7614 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.6268 0.1521 -1.4083 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.1774 0.0251 -1.2013 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5492 0.3353 0.0825 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0857 0.0626 0.1971 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1069 0.7193 -0.6764 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0764 0.4765 -2.1200 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8047 -0.8472 -2.7059 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4670 -1.4151 -2.6469 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7245 -1.7907 -1.4407 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2548 -2.8728 -0.5848 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4195 -3.2002 0.5887 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0782 -3.7591 0.4694 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9356 -3.0790 -0.1483 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5158 -1.7932 0.4651 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6756 -1.7093 1.3883 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0722 -0.6458 0.0052 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9018 0.6573 0.3522 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5468 1.2319 0.0617 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.2744 1.0787 -1.4104 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2990 -0.3195 -1.6504 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0316 -0.6872 -3.2685 P 0 0 0 0 0 5 0 0 0 0 0 0 -1.4287 -0.7893 -3.9055 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7445 0.5579 -4.1006 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7111 -2.1745 -3.4938 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2794 -2.7200 -2.3737 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9267 -4.0729 -2.6811 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5292 -4.6523 -1.5077 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4682 0.5518 0.7678 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1266 1.2058 1.8175 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6945 2.3983 2.0655 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1899 0.5930 2.5494 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5417 0.5690 1.9591 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1323 1.8983 1.6150 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5346 2.5983 0.4373 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7425 1.9459 -0.8773 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9776 1.9992 -1.6300 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3413 1.7665 -1.1280 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9126 2.8899 -0.3109 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2979 2.5973 0.1824 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2361 2.3739 -0.9428 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6627 2.2052 -0.5414 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9878 1.1014 0.3885 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6298 -0.2326 -0.1736 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0023 -1.3587 0.7789 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4955 -1.3521 1.0594 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2241 -1.5747 -0.2188 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7207 -1.5618 -0.1293 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2599 -0.2372 0.3502 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7423 -0.1544 0.4258 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4235 -1.1012 1.3451 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9302 -0.8519 1.2245 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3388 0.5345 1.5722 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8653 0.6025 1.4049 C 0 0 0 0 0 0 0 0 0 0 0 0 -21.1152 2.9272 0.2375 H 0 0 0 0 0 0 0 0 0 0 0 0 -21.2010 4.2913 1.4839 H 0 0 0 0 0 0 0 0 0 0 0 0 -20.5912 4.5921 -0.1871 H 0 0 0 0 0 0 0 0 0 0 0 0 -18.4828 4.2470 0.7307 H 0 0 0 0 0 0 0 0 0 0 0 0 -19.1904 3.4966 2.1874 H 0 0 0 0 0 0 0 0 0 0 0 0 -18.8143 2.0628 -0.4854 H 0 0 0 0 0 0 0 0 0 0 0 0 -19.5284 1.3671 1.0638 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.7232 2.5801 0.6768 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.3669 1.9327 2.1946 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.7359 -0.2648 1.1037 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.9612 0.3964 -0.4292 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.6623 0.2938 2.3025 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.9383 0.9233 0.7058 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.2607 -1.3811 -0.2833 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.8577 -1.9055 1.2953 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.6296 -1.6353 2.3424 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.5602 -2.5896 0.8530 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.7287 -1.2885 1.0451 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.5844 0.2711 1.2175 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.6614 -0.3296 -1.0912 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.6407 -1.7518 -1.1827 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.8801 1.2745 -1.2514 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.7744 0.0990 -2.5539 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8025 -0.9772 -1.5724 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7376 0.7822 -1.9497 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0109 -0.0342 1.0111 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6206 1.4922 0.2612 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7460 0.2838 1.2738 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8944 -1.0490 0.1372 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2280 1.8778 -0.5915 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0537 0.6360 -0.2465 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0861 1.1003 -2.4389 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8238 1.0432 -2.7164 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1135 -0.8005 -3.7839 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5873 -1.5678 -2.2784 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4064 -2.3577 -3.3328 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7733 -0.7308 -3.2595 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5379 -0.9120 -0.7493 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6622 -2.0119 -1.7952 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5140 -3.7996 -1.1869 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2753 -2.5499 -0.2268 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3815 -2.3063 1.3153 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0136 -3.9422 1.2380 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7447 -4.0076 1.5519 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1141 -4.8285 0.0492 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0253 -3.7774 0.1251 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8395 -3.0576 -1.2307 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0159 0.7420 1.4874 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7056 1.3301 -0.0666 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5756 2.3204 0.3914 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9533 1.6304 -2.0616 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7605 1.4817 -1.6348 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5611 1.4235 -3.6756 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5680 -2.9221 -1.5518 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1051 -2.0852 -1.9389 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1480 -4.7978 -3.0331 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6835 -4.0050 -3.4724 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5521 -5.6964 -1.5664 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0869 -4.3194 -0.6202 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9018 -0.5192 2.6708 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2239 0.9555 3.6394 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4618 0.0082 0.9669 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2662 -0.0313 2.6000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2127 1.7518 1.5951 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9734 2.6172 2.4926 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0290 3.6363 0.4391 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4807 2.8549 0.5964 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9389 2.4202 -1.5773 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3023 0.8745 -0.8455 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0039 3.0444 -2.1395 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8084 1.3169 -2.5591 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9902 1.5772 -2.0464 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4407 0.7924 -0.5673 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2838 3.2956 0.4787 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0886 3.7648 -1.0608 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2094 1.6789 0.8352 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6200 3.4697 0.7994 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1928 3.2933 -1.5965 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8897 1.5510 -1.6149 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9970 3.1610 -0.0668 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2571 2.1215 -1.4926 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1107 1.1001 0.5076 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5022 1.2998 1.3719 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5111 -0.3359 -0.3036 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0380 -0.3413 -1.1825 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3962 -1.2868 1.7016 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7284 -2.3002 0.2689 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6776 -2.2396 1.7270 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8154 -0.4685 1.6163 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9666 -0.7982 -0.9909 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9322 -2.5602 -0.6856 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0104 -2.3096 0.6539 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1226 -1.8530 -1.1105 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9194 0.5268 -0.4018 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7539 0.0345 1.3008 H 0 0 0 0 0 0 0 0 0 0 0 0 16.9740 0.8859 0.8159 H 0 0 0 0 0 0 0 0 0 0 0 0 17.2305 -0.1835 -0.5664 H 0 0 0 0 0 0 0 0 0 0 0 0 17.2712 -2.1714 1.1287 H 0 0 0 0 0 0 0 0 0 0 0 0 17.1517 -0.9234 2.4093 H 0 0 0 0 0 0 0 0 0 0 0 0 19.2240 -1.1167 0.1848 H 0 0 0 0 0 0 0 0 0 0 0 0 19.4717 -1.5684 1.9079 H 0 0 0 0 0 0 0 0 0 0 0 0 18.9578 1.2155 0.7528 H 0 0 0 0 0 0 0 0 0 0 0 0 19.0215 0.8764 2.5548 H 0 0 0 0 0 0 0 0 0 0 0 0 21.0681 0.3098 0.3476 H 0 0 0 0 0 0 0 0 0 0 0 0 21.2495 1.6115 1.6323 H 0 0 0 0 0 0 0 0 0 0 0 0 21.3083 -0.1808 2.0480 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 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 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 1 0 23 24 1 0 24 25 2 0 24 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 29 30 1 0 30 31 1 0 31 32 2 0 31 33 1 0 31 34 1 0 34 35 1 0 35 36 1 0 36 37 1 0 28 38 1 0 38 39 1 0 39 40 2 0 39 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 48 49 1 0 49 50 1 0 50 51 1 0 51 52 1 0 52 53 1 0 53 54 1 0 54 55 1 0 55 56 1 0 56 57 1 0 57 58 1 0 58 59 1 0 59 60 1 0 60 61 1 0 61 62 1 0 62 63 1 0 1 64 1 0 1 65 1 0 1 66 1 0 2 67 1 0 2 68 1 0 3 69 1 0 3 70 1 0 4 71 1 0 4 72 1 0 5 73 1 0 5 74 1 0 6 75 1 0 6 76 1 0 7 77 1 0 7 78 1 0 8 79 1 0 8 80 1 0 9 81 1 0 9 82 1 0 10 83 1 0 10 84 1 0 11 85 1 0 11 86 1 0 12 87 1 0 12 88 1 0 13 89 1 0 13 90 1 0 14 91 1 0 14 92 1 0 15 93 1 0 15 94 1 0 16 95 1 0 16 96 1 0 17 97 1 0 17 98 1 0 18 99 1 0 18100 1 0 19101 1 0 19102 1 0 20103 1 0 20104 1 0 21105 1 0 21106 1 0 22107 1 0 22108 1 0 23109 1 0 23110 1 0 27111 1 0 27112 1 0 28113 1 1 29114 1 0 29115 1 0 33116 1 0 35117 1 0 35118 1 0 36119 1 0 36120 1 0 37121 1 0 37122 1 0 41123 1 0 41124 1 0 42125 1 0 42126 1 0 43127 1 0 43128 1 0 44129 1 0 44130 1 0 45131 1 0 45132 1 0 46133 1 0 46134 1 0 47135 1 0 47136 1 0 48137 1 0 48138 1 0 49139 1 0 49140 1 0 50141 1 0 50142 1 0 51143 1 0 51144 1 0 52145 1 0 52146 1 0 53147 1 0 53148 1 0 54149 1 0 54150 1 0 55151 1 0 55152 1 0 56153 1 0 56154 1 0 57155 1 0 57156 1 0 58157 1 0 58158 1 0 59159 1 0 59160 1 0 60161 1 0 60162 1 0 61163 1 0 61164 1 0 62165 1 0 62166 1 0 63167 1 0 63168 1 0 63169 1 0 M END