HMDB0268112 RDKit 3D PA(i-19:0/20:4(8Z,11Z,14Z,17Z)-2OH(5S,6R)) 128127 0 0 0 0 0 0 0 0999 V2000 15.1571 1.2080 1.9521 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7715 0.3037 0.7504 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9572 -0.0050 -0.0380 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1592 0.2239 -1.2870 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1654 0.8624 -2.1980 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9682 0.0034 -3.3915 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9307 -0.5376 -3.8988 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5000 -0.5034 -3.4650 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1026 -1.8960 -3.2897 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5550 -2.4628 -2.2947 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1271 -1.9581 -1.0197 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2612 -0.5736 -0.6406 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2336 0.2362 -0.3926 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8309 -0.1654 -0.4746 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0427 -0.0518 0.7949 C 0 0 1 0 0 0 0 0 0 0 0 0 8.5623 -0.8134 1.8333 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8183 1.3877 1.1532 C 0 0 2 0 0 0 0 0 0 0 0 0 9.0250 1.9526 1.5316 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8551 1.4992 2.3167 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5248 0.9002 2.0306 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7655 1.4951 0.8930 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4917 0.7430 0.7582 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5430 -0.4645 0.3359 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2352 1.2182 1.0473 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0652 0.4001 0.8836 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.0194 1.0600 0.0921 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0753 0.1231 -0.0074 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3020 0.3562 -0.6010 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5114 1.4924 -1.0886 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3573 -0.6759 -0.6751 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7349 -0.1070 -0.2223 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5568 0.3468 1.1655 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6273 0.9407 1.9481 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8557 0.2515 2.3033 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7914 -0.2036 1.1832 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2253 0.9433 0.3683 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1223 0.6351 -0.7548 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.4762 0.1084 -0.5979 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.7513 -1.1854 0.0445 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.2549 -1.5503 -0.0099 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.1053 -0.5405 0.7005 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.5392 -0.9935 0.6442 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.0357 -1.1188 -0.7651 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.9740 0.2139 -1.4893 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.4877 0.0336 -2.9045 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.6598 -0.9636 -3.6713 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.5551 1.3892 -3.5635 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5606 0.2221 2.3326 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5749 -0.5561 2.3783 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0983 -0.7158 3.9655 P 0 0 0 0 0 5 0 0 0 0 0 0 -1.0487 -2.1971 4.3350 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1466 0.2166 5.0150 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6858 -0.1704 4.1315 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4509 1.0466 2.7798 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1875 2.2657 1.6496 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1691 0.8609 2.2368 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0386 0.9488 0.2021 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2302 -0.5613 1.1422 H 0 0 0 0 0 0 0 0 0 0 0 0 16.7821 -0.5024 0.5507 H 0 0 0 0 0 0 0 0 0 0 0 0 17.1357 -0.0738 -1.7190 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2520 1.1584 -1.7145 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6552 1.8000 -2.5684 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9392 -0.2224 -3.9805 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0420 -1.1670 -4.8374 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4396 0.1769 -2.6409 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9435 -0.1203 -4.3717 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3170 -2.5882 -4.1847 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3514 -3.5923 -2.4079 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7077 -2.5914 -0.2384 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0691 -2.3069 -0.7736 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2424 -0.1379 -0.5035 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4933 1.2735 -0.1147 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3556 0.6039 -1.1921 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6021 -1.1215 -0.9321 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0480 -0.5576 0.5637 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4243 -1.7759 1.6536 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4088 1.9787 0.3107 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9926 2.1539 2.4953 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7279 2.5766 2.5408 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3189 0.9582 3.1639 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5470 -0.1967 1.8897 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9018 1.0494 2.9569 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2732 1.4393 -0.0767 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5141 2.5498 1.1679 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2643 -0.5901 0.5027 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3594 1.3509 -0.8986 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3907 1.9267 0.6880 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5238 -1.0127 -1.7022 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1789 -1.5603 -0.0413 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4177 -0.9221 -0.4288 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8919 0.7791 -0.8913 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0541 -0.4990 1.7303 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7089 1.1159 1.1345 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1512 1.2750 2.9435 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9339 1.9684 1.5392 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4988 0.9866 2.8832 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7353 -0.5833 3.0412 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4478 -1.0579 0.6213 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7056 -0.5933 1.7516 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7384 1.7132 1.0193 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2904 1.4541 -0.0594 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5724 0.0094 -1.5529 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2520 1.6144 -1.3672 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9067 0.0269 -1.6602 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1123 0.9465 -0.1619 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2199 -2.0094 -0.4393 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5986 -1.1377 1.1600 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.3286 -2.5026 0.5931 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.5235 -1.7371 -1.0566 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.7704 -0.4997 1.7494 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.9829 0.4794 0.2810 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.5934 -2.0072 1.1156 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.2321 -0.3034 1.1848 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.5299 -1.8749 -1.3687 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.1065 -1.4558 -0.6857 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.6044 0.9154 -0.9137 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.9594 0.6212 -1.5210 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.5249 -0.3988 -2.8295 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.9761 -2.0058 -3.5457 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.6593 -0.7510 -4.7735 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.5903 -0.8984 -3.3350 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.6447 2.1568 -2.7633 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.6750 1.5414 -4.2243 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.5180 1.4254 -4.1453 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3169 1.2378 2.7492 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3654 -0.2345 2.9192 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3954 -0.3966 5.5811 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3501 -0.8661 3.9822 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 15 17 1 0 17 18 1 0 17 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 45 47 1 0 25 48 1 0 48 49 1 0 49 50 1 0 50 51 2 0 50 52 1 0 50 53 1 0 1 54 1 0 1 55 1 0 1 56 1 0 2 57 1 0 2 58 1 0 3 59 1 0 4 60 1 0 5 61 1 0 5 62 1 0 6 63 1 0 7 64 1 0 8 65 1 0 8 66 1 0 9 67 1 0 10 68 1 0 11 69 1 0 11 70 1 0 12 71 1 0 13 72 1 0 14 73 1 0 14 74 1 0 15 75 1 6 16 76 1 0 17 77 1 6 18 78 1 0 19 79 1 0 19 80 1 0 20 81 1 0 20 82 1 0 21 83 1 0 21 84 1 0 25 85 1 6 26 86 1 0 26 87 1 0 30 88 1 0 30 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 34 96 1 0 34 97 1 0 35 98 1 0 35 99 1 0 36100 1 0 36101 1 0 37102 1 0 37103 1 0 38104 1 0 38105 1 0 39106 1 0 39107 1 0 40108 1 0 40109 1 0 41110 1 0 41111 1 0 42112 1 0 42113 1 0 43114 1 0 43115 1 0 44116 1 0 44117 1 0 45118 1 0 46119 1 0 46120 1 0 46121 1 0 47122 1 0 47123 1 0 47124 1 0 48125 1 0 48126 1 0 52127 1 0 53128 1 0 M END