HMDB0284770 RDKit 3D PE(DiMe(11,5)/20:4(5Z,8Z,11Z,13E)-OH(15S)) 139139 0 0 0 0 0 0 0 0999 V2000 -15.5510 0.2072 0.8160 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.7475 -1.2596 1.0158 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.6641 -1.8830 1.8657 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.2940 -1.7154 1.2725 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.1724 -2.3527 -0.0969 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.7814 -2.1366 -0.6054 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.8473 -3.0231 -0.6436 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.7162 -2.5121 -1.1512 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5081 -3.3441 -1.2830 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5894 -3.2119 -0.1285 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9583 -1.9045 0.1432 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0207 -1.3894 -0.8925 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8815 -2.4028 -0.9948 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8654 -1.9805 -2.0043 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7332 -2.9252 -2.0943 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9314 -3.2434 -0.9083 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2222 -2.1774 -0.1783 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0220 -1.1243 0.4824 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1688 -0.1083 1.2002 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4901 -0.4290 2.1871 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1308 1.2005 0.7779 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4352 2.2645 1.3219 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0384 2.0131 1.3637 C 0 0 2 0 0 0 0 0 0 0 0 0 1.7540 3.1669 2.0768 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6989 4.2908 1.2646 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4709 5.5846 2.0175 P 0 0 0 0 0 5 0 0 0 0 0 0 2.2467 5.5558 3.5247 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1241 5.4936 1.6720 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8371 7.0367 1.3961 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5695 6.8528 0.0208 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0146 8.0908 -0.6005 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2269 8.4502 0.0686 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6536 1.7862 0.1263 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4018 0.6731 -0.1799 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5356 -0.1889 0.7297 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0389 0.4507 -1.4958 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9497 1.5208 -1.9556 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1482 1.8038 -1.0793 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7910 2.1828 0.2800 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1880 1.5340 1.3350 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0686 0.3163 1.3072 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2907 0.5349 2.0829 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4833 0.5057 1.5745 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7153 0.2471 0.1373 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4086 1.4430 -0.3976 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5915 1.3392 -0.9333 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3531 0.0932 -1.0745 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5499 0.0995 -1.6258 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4183 -1.0604 -1.8306 C 0 0 1 0 0 0 0 0 0 0 0 0 14.3888 -0.7863 -2.8257 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1856 -1.5093 -0.6251 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3499 -1.9488 0.5386 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5198 -3.1385 0.1818 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6437 -3.5809 1.3581 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8369 -4.7908 0.8905 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.9860 -1.2132 -1.4464 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0764 -0.2251 -2.0590 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.3111 -0.9428 -1.1043 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.9811 0.3618 -1.2752 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.4925 0.4236 0.5422 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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 2 0 19 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 2 0 26 28 1 0 26 29 1 0 29 30 1 0 30 31 1 0 31 32 1 0 23 33 1 0 33 34 1 0 34 35 2 0 34 36 1 0 36 37 1 0 37 38 1 0 38 39 1 0 39 40 2 0 40 41 1 0 41 42 1 0 42 43 2 0 43 44 1 0 44 45 1 0 45 46 2 0 46 47 1 0 47 48 2 0 48 49 1 0 49 50 1 0 49 51 1 0 51 52 1 0 52 53 1 0 53 54 1 0 54 55 1 0 8 56 2 0 56 57 1 0 56 58 1 0 58 59 1 0 58 6 2 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 3 66 1 0 4 67 1 0 4 68 1 0 5 69 1 0 5 70 1 0 9 71 1 0 9 72 1 0 10 73 1 0 10 74 1 0 11 75 1 0 11 76 1 0 12 77 1 0 12 78 1 0 13 79 1 0 13 80 1 0 14 81 1 0 14 82 1 0 15 83 1 0 15 84 1 0 16 85 1 0 16 86 1 0 17 87 1 0 17 88 1 0 18 89 1 0 18 90 1 0 22 91 1 0 22 92 1 0 23 93 1 1 24 94 1 0 24 95 1 0 28 96 1 0 30 97 1 0 30 98 1 0 31 99 1 0 31100 1 0 32101 1 0 32102 1 0 36103 1 0 36104 1 0 37105 1 0 37106 1 0 38107 1 0 38108 1 0 39109 1 0 40110 1 0 41111 1 0 41112 1 0 42113 1 0 43114 1 0 44115 1 0 44116 1 0 45117 1 0 46118 1 0 47119 1 0 48120 1 0 49121 1 6 50122 1 0 51123 1 0 51124 1 0 52125 1 0 52126 1 0 53127 1 0 53128 1 0 54129 1 0 54130 1 0 55131 1 0 55132 1 0 55133 1 0 57134 1 0 57135 1 0 57136 1 0 59137 1 0 59138 1 0 59139 1 0 M END