HMDB0009735 RDKit 3D PE(24:0/22:4(7Z,10Z,13Z,16Z)) 155154 0 0 0 0 0 0 0 0999 V2000 -1.8194 -1.9767 -5.5288 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6032 -0.6929 -5.5165 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8606 -0.7841 -4.7019 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6600 -1.1084 -3.2605 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8170 -0.0848 -2.5108 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7237 -0.5725 -1.1219 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1648 0.1089 -0.1160 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8107 1.4448 -0.2148 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1854 1.3351 0.2962 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6012 2.0292 1.3146 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8332 3.0106 2.1208 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5871 4.3117 1.9890 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0531 5.4105 1.5302 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6632 5.5911 1.0738 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0516 6.6681 1.9344 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0155 6.5508 2.6905 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2161 5.3176 2.8588 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2209 5.5578 2.4559 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1414 4.4130 2.5709 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7762 3.2215 1.7559 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7237 2.0913 1.8216 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9851 1.4542 3.0869 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9740 0.6322 3.1085 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3281 1.5897 4.3029 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7876 0.8229 5.4338 C 0 0 2 0 0 0 0 0 0 0 0 0 0.6414 -0.1490 5.7531 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3603 -0.9800 4.6668 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2231 -1.8869 4.0822 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3759 -2.0083 4.5610 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7569 -2.6931 2.8940 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1019 -1.9056 1.6186 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6496 -2.6169 0.3877 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9862 -1.8242 -0.8675 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4628 -1.6557 -0.9529 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9181 -0.8705 -2.1828 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3433 0.5007 -2.1593 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6576 1.4115 -3.2631 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1951 1.2053 -4.6335 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5870 -0.0962 -5.2757 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1563 -0.0926 -6.7221 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5492 -1.2404 -7.5320 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1279 -2.6022 -7.1970 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5752 -3.2643 -5.9614 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9788 -4.7037 -5.9805 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3982 -5.4204 -4.7209 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8740 -6.8433 -4.6605 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3247 -7.4776 -3.3614 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8834 -8.8882 -3.1972 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3827 -9.0100 -3.2461 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3050 -8.2000 -2.1744 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7975 -8.4496 -2.3529 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6429 -7.7091 -1.3652 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0619 1.6791 6.6409 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8633 2.2812 6.9991 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9441 3.2506 8.3504 P 0 0 0 0 0 5 0 0 0 0 0 0 0.9688 2.4559 9.6373 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4317 4.2644 8.3382 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2888 4.2550 8.3107 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2050 5.2195 7.3118 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4321 6.0775 7.3414 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4262 7.1001 6.3365 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2791 -2.0233 -6.5028 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5746 -2.8069 -5.5530 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1731 -2.1264 -4.6576 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9410 0.1347 -5.2684 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9453 -0.5185 -6.5770 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4925 0.1121 -4.7909 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4562 -1.6312 -5.1358 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6865 -1.0355 -2.7879 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3365 -2.1420 -3.0469 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7716 -0.0721 -2.9058 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2407 0.8915 -2.6688 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2646 -1.5556 -0.8972 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0804 -0.2811 0.9106 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1483 2.1199 0.3984 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8567 1.8725 -1.2121 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8840 0.6583 -0.1830 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6617 1.8974 1.6525 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8030 3.1590 1.8615 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9566 2.6796 3.1943 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6473 4.3501 2.2947 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6949 6.3176 1.4669 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0691 4.7109 0.9482 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7489 6.0763 0.0528 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5724 7.6558 1.8879 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6944 7.4423 3.2633 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2975 5.0423 3.9378 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6957 4.4987 2.3131 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5815 6.3845 3.1357 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2412 5.9862 1.4386 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1543 4.7505 2.2202 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3164 4.0601 3.6077 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2455 2.8372 1.9688 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7430 3.5579 0.6799 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7312 2.4258 1.4064 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3745 1.3399 1.0511 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6574 0.2091 5.1875 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8961 -0.7247 6.6898 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2500 0.4576 6.0002 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3310 -2.8583 2.9480 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3217 -3.6381 2.8944 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2162 -1.7978 1.6623 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6890 -0.8805 1.6697 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4763 -2.6644 0.4490 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0522 -3.6231 0.2837 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5988 -2.3513 -1.7443 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4430 -0.8583 -0.7417 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9261 -2.6595 -0.9471 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7954 -1.0461 -0.0911 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8883 -1.4516 -3.0786 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0434 -0.7322 -1.9761 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7484 0.9734 -1.2022 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2106 0.4678 -2.0392 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7960 1.5850 -3.2796 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3066 2.4702 -2.9579 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6336 2.0368 -5.2656 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0746 1.3402 -4.6899 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8286 -0.8170 -4.8123 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6085 -0.3428 -5.1243 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0447 0.0568 -6.7002 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5713 0.8760 -7.1388 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7008 -1.2159 -7.7101 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1894 -1.0742 -8.6235 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3079 -3.3255 -8.0643 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9798 -2.6126 -7.1573 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2734 -2.8769 -4.9971 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6778 -3.4615 -6.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8895 -4.6701 -6.0542 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4227 -5.1936 -6.8620 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4991 -5.3769 -4.5827 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9623 -4.8491 -3.8635 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2934 -7.4250 -5.5329 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7756 -6.8244 -4.7179 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4438 -7.4797 -3.2866 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9019 -6.8600 -2.5399 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2410 -9.2429 -2.1893 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3682 -9.5835 -3.9257 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0819 -10.0899 -3.1574 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0451 -8.6546 -4.2480 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0810 -7.1271 -2.3934 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0293 -8.4772 -1.1706 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9124 -9.5615 -2.2332 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0749 -8.2089 -3.3825 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8315 -8.3638 -0.5001 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1632 -6.7589 -1.0521 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6463 -7.4658 -1.8091 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8740 2.3986 6.4841 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3685 1.0215 7.4754 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3061 4.9294 9.0844 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3260 5.8779 7.4832 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0973 4.7813 6.3061 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3546 5.4590 7.2165 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5718 6.5816 8.3338 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5050 7.5611 6.1917 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7251 6.6666 5.4107 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 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 2 0 28 30 1 0 30 31 1 0 31 32 1 0 32 33 1 0 33 34 1 0 34 35 1 0 35 36 1 0 36 37 1 0 37 38 1 0 38 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 1 0 47 48 1 0 48 49 1 0 49 50 1 0 50 51 1 0 51 52 1 0 25 53 1 0 53 54 1 0 54 55 1 0 55 56 2 0 55 57 1 0 55 58 1 0 58 59 1 0 59 60 1 0 60 61 1 0 1 62 1 0 1 63 1 0 1 64 1 0 2 65 1 0 2 66 1 0 3 67 1 0 3 68 1 0 4 69 1 0 4 70 1 0 5 71 1 0 5 72 1 0 6 73 1 0 7 74 1 0 8 75 1 0 8 76 1 0 9 77 1 0 10 78 1 0 11 79 1 0 11 80 1 0 12 81 1 0 13 82 1 0 14 83 1 0 14 84 1 0 15 85 1 0 16 86 1 0 17 87 1 0 17 88 1 0 18 89 1 0 18 90 1 0 19 91 1 0 19 92 1 0 20 93 1 0 20 94 1 0 21 95 1 0 21 96 1 0 25 97 1 6 26 98 1 0 26 99 1 0 30100 1 0 30101 1 0 31102 1 0 31103 1 0 32104 1 0 32105 1 0 33106 1 0 33107 1 0 34108 1 0 34109 1 0 35110 1 0 35111 1 0 36112 1 0 36113 1 0 37114 1 0 37115 1 0 38116 1 0 38117 1 0 39118 1 0 39119 1 0 40120 1 0 40121 1 0 41122 1 0 41123 1 0 42124 1 0 42125 1 0 43126 1 0 43127 1 0 44128 1 0 44129 1 0 45130 1 0 45131 1 0 46132 1 0 46133 1 0 47134 1 0 47135 1 0 48136 1 0 48137 1 0 49138 1 0 49139 1 0 50140 1 0 50141 1 0 51142 1 0 51143 1 0 52144 1 0 52145 1 0 52146 1 0 53147 1 0 53148 1 0 57149 1 0 59150 1 0 59151 1 0 60152 1 0 60153 1 0 61154 1 0 61155 1 0 M END