HMDB0009446 RDKit 3D PE(20:4(8Z,11Z,14Z,17Z)/P-18:1(11Z)) 128127 0 0 0 0 0 0 0 0999 V2000 16.7021 -0.1812 -4.6667 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8902 -0.7442 -3.2526 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0949 0.3356 -2.2834 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2913 0.5631 -1.2706 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0792 -0.2529 -0.9922 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1271 -0.8888 0.3232 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2992 -0.7364 1.3101 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1263 0.1868 1.1746 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2222 1.2234 2.2563 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3008 1.4294 3.1606 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0446 0.6406 3.1948 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8654 1.5478 3.0741 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9810 1.4582 2.1042 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9402 0.5278 1.0047 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8200 -0.4441 0.8451 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4338 0.1161 0.8358 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9794 0.5571 2.1899 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6905 1.2737 2.2612 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5465 0.4100 1.7332 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3133 1.1789 1.8620 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3337 2.3342 2.3580 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0535 0.7073 1.4563 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0328 1.5539 1.6477 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3927 1.0172 1.2123 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.3596 0.7210 -0.2837 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4215 -0.2270 -0.6386 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4195 -0.4700 -2.2884 P 0 0 0 0 0 5 0 0 0 0 0 0 -1.4589 0.4442 -2.9151 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0994 -0.0984 -2.9610 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7886 -2.0288 -2.7348 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1265 -2.9753 -2.3028 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2499 -4.3668 -2.7945 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7078 -5.3308 -2.3390 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3284 1.9210 1.4725 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2944 2.7086 1.6809 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5845 2.5150 1.4542 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0868 1.2464 0.8826 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7750 1.4972 -0.4397 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3240 0.2325 -1.0055 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3492 -0.3543 -0.0693 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0169 -1.6011 -0.6442 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0412 -2.1365 0.3483 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.0798 -1.1073 0.6742 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.8672 -0.6178 -0.5231 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.6397 -1.6773 -1.1945 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.9480 -1.6159 -1.3180 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.8205 -0.5459 -0.8395 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.8545 -1.0512 0.1719 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.7307 0.0811 0.6514 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.4840 0.7630 -0.4530 C 0 0 0 0 0 0 0 0 0 0 0 0 -17.3411 1.8825 0.1506 C 0 0 0 0 0 0 0 0 0 0 0 0 -18.1147 2.6034 -0.9115 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2078 0.7978 -4.7529 H 0 0 0 0 0 0 0 0 0 0 0 0 17.0134 -0.8893 -5.4502 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5938 -0.0106 -4.7570 H 0 0 0 0 0 0 0 0 0 0 0 0 16.2056 -1.5462 -3.0144 H 0 0 0 0 0 0 0 0 0 0 0 0 17.9145 -1.2695 -3.3214 H 0 0 0 0 0 0 0 0 0 0 0 0 17.9863 0.9890 -2.4323 H 0 0 0 0 0 0 0 0 0 0 0 0 16.5541 1.4079 -0.6079 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2276 0.4324 -1.0949 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9925 -1.0909 -1.7330 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9748 -1.5839 0.5042 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4335 -1.2698 2.2531 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2040 0.7347 0.2351 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1911 -0.3641 1.1499 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1133 1.8605 2.3123 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4181 2.2034 3.9400 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0280 -0.2377 2.5903 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0070 0.2498 4.2752 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7382 2.3226 3.8382 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1972 2.2760 2.1236 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9295 -0.0137 0.8552 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9121 1.1431 0.0260 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8273 -1.2362 1.6386 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9628 -0.9591 -0.1487 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7081 -0.5758 0.3459 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4604 1.0085 0.1524 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7491 0.9596 2.8406 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8121 -0.5006 2.7209 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6894 2.2649 1.7773 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4567 1.4603 3.3512 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4788 -0.5323 2.3210 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8266 0.1166 0.7022 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0549 1.8125 2.7398 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1719 2.5273 1.1411 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5026 0.0364 1.7369 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3469 0.3188 -0.5733 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2111 1.6778 -0.8288 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8098 -0.4681 -2.3785 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0825 -2.9519 -1.1855 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1477 -2.7083 -2.6257 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2425 -4.6124 -2.3809 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2874 -4.3413 -3.9089 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4486 -4.8533 -1.7932 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3274 -6.1115 -1.7807 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1217 3.7721 2.1333 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3382 3.2879 1.6788 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3161 0.4997 0.7296 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8897 0.9017 1.5969 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0352 1.9500 -1.1463 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6114 2.2225 -0.2914 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7786 0.4865 -1.9987 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5195 -0.5198 -1.2178 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0657 0.4446 0.1833 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8496 -0.6444 0.9023 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4330 -1.4139 -1.6408 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2293 -2.3756 -0.7383 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4556 -3.0477 -0.0839 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4858 -2.3610 1.2793 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6701 -0.2410 1.1936 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7826 -1.5885 1.4113 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.5187 0.1817 -0.1638 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1416 -0.1321 -1.2313 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1294 -2.5656 -1.6190 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.4043 -2.4899 -1.8516 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.3546 0.3275 -0.4012 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.4568 -0.2255 -1.7236 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.4546 -1.8795 -0.2471 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.2589 -1.4120 1.0479 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.0884 0.8402 1.1780 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.4056 -0.3355 1.4255 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.1898 0.0426 -0.8742 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.8508 1.1662 -1.2397 H 0 0 0 0 0 0 0 0 0 0 0 0 -18.0345 1.4232 0.8978 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.6766 2.5756 0.7016 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.8698 3.6878 -0.8542 H 0 0 0 0 0 0 0 0 0 0 0 0 -19.1958 2.5018 -0.7272 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.8091 2.2218 -1.9182 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 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 1 0 25 26 1 0 26 27 1 0 27 28 2 0 27 29 1 0 27 30 1 0 30 31 1 0 31 32 1 0 32 33 1 0 24 34 1 0 34 35 1 0 35 36 2 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 2 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 1 53 1 0 1 54 1 0 1 55 1 0 2 56 1 0 2 57 1 0 3 58 1 0 4 59 1 0 5 60 1 0 5 61 1 0 6 62 1 0 7 63 1 0 8 64 1 0 8 65 1 0 9 66 1 0 10 67 1 0 11 68 1 0 11 69 1 0 12 70 1 0 13 71 1 0 14 72 1 0 14 73 1 0 15 74 1 0 15 75 1 0 16 76 1 0 16 77 1 0 17 78 1 0 17 79 1 0 18 80 1 0 18 81 1 0 19 82 1 0 19 83 1 0 23 84 1 0 23 85 1 0 24 86 1 1 25 87 1 0 25 88 1 0 29 89 1 0 31 90 1 0 31 91 1 0 32 92 1 0 32 93 1 0 33 94 1 0 33 95 1 0 35 96 1 0 36 97 1 0 37 98 1 0 37 99 1 0 38100 1 0 38101 1 0 39102 1 0 39103 1 0 40104 1 0 40105 1 0 41106 1 0 41107 1 0 42108 1 0 42109 1 0 43110 1 0 43111 1 0 44112 1 0 44113 1 0 45114 1 0 46115 1 0 47116 1 0 47117 1 0 48118 1 0 48119 1 0 49120 1 0 49121 1 0 50122 1 0 50123 1 0 51124 1 0 51125 1 0 52126 1 0 52127 1 0 52128 1 0 M END