HMDB0009670 RDKit 3D PE(22:5(7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z)) 137136 0 0 0 0 0 0 0 0999 V2000 7.6053 5.0137 8.9862 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5753 4.9783 7.8625 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0680 3.6097 7.7497 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1852 2.8888 6.6683 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8372 3.3748 5.4496 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0064 2.4871 5.1747 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1129 1.8509 4.0650 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1958 1.8414 2.9088 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7841 0.4766 2.6107 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6005 0.0137 2.5761 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4054 0.8645 2.8580 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5915 0.2383 3.9465 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3251 -0.0556 3.6680 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6332 0.1778 2.4047 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1694 -1.0106 1.6819 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0913 -1.2210 1.4129 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2114 -0.3634 1.7700 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9671 0.2012 0.5658 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0936 1.0525 1.0044 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1784 0.5168 1.8235 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1781 -0.4401 1.4132 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8763 -1.7782 0.9398 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8076 -2.2897 0.5747 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.9609 -2.7128 0.8613 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.8990 -4.0009 0.4162 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8473 -4.2906 -1.0261 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.7402 -5.8392 -1.1613 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8229 -6.1879 -2.4888 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6458 -7.8216 -2.8010 P 0 0 0 0 0 5 0 0 0 0 0 0 -4.8613 -8.0031 -4.1017 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6867 -8.5633 -1.5994 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.1120 -8.5762 -2.9618 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.0586 -8.2636 -2.0228 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3393 -9.0201 -2.2203 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.9779 -8.7980 -3.4805 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.7863 -3.7031 -1.7059 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0265 -2.9657 -2.8915 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2277 -2.8733 -3.2390 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9370 -2.3560 -3.6595 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2134 -1.2708 -2.8458 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1269 -0.1937 -2.4823 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9967 1.0786 -2.7788 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8425 1.5522 -3.5506 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2890 2.2868 -4.7547 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9541 3.5494 -5.0173 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0813 4.2943 -4.0597 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6859 5.5536 -3.5682 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0531 6.7085 -3.6393 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6974 6.9139 -4.1896 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1763 7.4441 -3.1069 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1971 6.7969 -2.6314 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6053 5.4606 -3.1097 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4980 4.5422 -1.9486 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5332 3.8920 -1.5004 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8674 3.9626 -2.0340 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2824 2.5616 -2.5216 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1725 1.6006 -1.3967 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6715 0.2276 -1.8575 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1301 0.3667 -2.2164 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1153 5.3120 9.9228 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3734 5.7860 8.6874 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1429 4.0756 9.1181 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9782 5.4342 6.9636 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7120 5.6642 8.1534 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5576 3.1785 8.6547 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7849 1.8798 6.6723 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2568 4.3885 5.5183 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0638 3.3116 4.6464 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7657 2.4127 5.9632 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0176 1.2175 3.9430 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8816 2.1276 2.0212 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4393 2.6080 2.8709 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6418 -0.2176 2.3960 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4000 -1.0327 2.3428 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8191 0.7974 1.9244 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6039 1.9171 3.0178 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9964 0.0276 4.9263 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7129 -0.5280 4.4735 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6856 0.7734 2.6478 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1198 0.8468 1.6762 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8655 -1.7907 1.3196 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 -2.1496 0.8492 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0022 -1.0884 2.2165 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0770 0.3656 2.5524 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1888 0.9486 0.1310 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1591 -0.5594 -0.1400 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6387 1.9902 1.4566 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5624 1.4678 0.0519 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7632 1.4696 2.1810 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7422 0.2260 2.8733 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8932 0.0819 0.6781 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8676 -0.6243 2.3297 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0411 -4.5834 0.8920 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8079 -4.5421 0.8453 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8355 -4.0849 -1.5388 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8191 -6.1869 -0.6686 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5981 -6.2711 -0.6215 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7947 -8.8147 -1.9226 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6694 -8.4797 -1.0042 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2770 -7.1580 -2.0474 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1575 -10.1269 -2.0823 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0668 -8.7224 -1.4153 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0654 -9.6690 -4.0375 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6284 -7.9706 -3.9774 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2300 -3.1604 -3.9548 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2950 -1.8890 -4.6106 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3122 -1.0417 -3.3922 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8809 -1.8405 -1.9246 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0321 -0.4554 -1.8875 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7617 1.8025 -2.4415 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0978 2.0682 -2.9385 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2496 0.6801 -3.9839 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9312 1.8128 -5.4997 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2945 4.0590 -5.9099 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2388 4.6350 -4.7738 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6266 3.7074 -3.2774 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6751 5.5106 -3.1377 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5988 7.5906 -3.2453 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8225 7.8399 -4.8846 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3372 6.1628 -4.8239 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0684 8.4266 -2.7059 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7906 7.2900 -1.8127 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5527 5.4568 -3.6385 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8496 5.1143 -3.8590 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4903 4.4372 -1.4908 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4091 3.2198 -0.6023 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0694 4.6165 -2.8838 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6498 4.2105 -1.2526 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3061 2.5868 -2.9435 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5301 2.3203 -3.3123 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7872 1.8941 -0.5421 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0887 1.4846 -1.1104 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5760 -0.4402 -0.9843 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0508 -0.0886 -2.6988 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6132 -0.6444 -2.2206 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5779 1.0397 -1.4409 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3230 0.8187 -3.1931 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 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 2 0 42 43 1 0 43 44 1 0 44 45 2 0 45 46 1 0 46 47 1 0 47 48 2 0 48 49 1 0 49 50 1 0 50 51 2 0 51 52 1 0 52 53 1 0 53 54 2 0 54 55 1 0 55 56 1 0 56 57 1 0 57 58 1 0 58 59 1 0 1 60 1 0 1 61 1 0 1 62 1 0 2 63 1 0 2 64 1 0 3 65 1 0 4 66 1 0 5 67 1 0 5 68 1 0 6 69 1 0 7 70 1 0 8 71 1 0 8 72 1 0 9 73 1 0 10 74 1 0 11 75 1 0 11 76 1 0 12 77 1 0 13 78 1 0 14 79 1 0 14 80 1 0 15 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 42110 1 0 43111 1 0 43112 1 0 44113 1 0 45114 1 0 46115 1 0 46116 1 0 47117 1 0 48118 1 0 49119 1 0 49120 1 0 50121 1 0 51122 1 0 52123 1 0 52124 1 0 53125 1 0 54126 1 0 55127 1 0 55128 1 0 56129 1 0 56130 1 0 57131 1 0 57132 1 0 58133 1 0 58134 1 0 59135 1 0 59136 1 0 59137 1 0 M END