HMDB0284774 RDKit 3D PE(DiMe(11,5)/20:4(5E,8Z,12Z,14Z)-OH(11R)) 139139 0 0 0 0 0 0 0 0999 V2000 2.6946 -3.4835 -8.1528 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2924 -4.6344 -7.3988 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8797 -4.6637 -5.9407 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2868 -3.4344 -5.1823 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8307 -3.4963 -3.7864 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5252 -3.4384 -3.2764 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3903 -3.1973 -3.8268 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1899 -2.8991 -5.1931 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0093 -2.6652 -5.7302 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2680 -2.6851 -4.9817 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.9063 -3.8745 -5.2345 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1024 -1.5062 -5.6075 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3921 -1.4141 -4.9548 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8623 -0.3849 -4.3331 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3179 0.9165 -4.0983 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0514 1.3760 -4.5959 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0470 1.7412 -3.7969 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7635 2.2069 -4.3253 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3965 1.3149 -3.8520 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4550 1.3239 -2.3365 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5674 0.4794 -1.8437 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3702 -0.0965 -2.6317 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7833 0.2761 -0.4698 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8711 -0.5489 -0.0308 C 0 0 2 0 0 0 0 0 0 0 0 0 2.3660 -1.7482 0.6849 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6659 -1.4670 1.8857 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1300 -2.5352 2.5694 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2749 -3.6845 2.0808 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4087 -2.3790 3.8329 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2231 -3.7018 4.2592 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2746 -4.1396 3.2654 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4515 -3.1877 3.2698 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4445 -3.5834 2.2168 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6932 -2.7571 2.2492 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4458 -1.2986 2.1524 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7320 -0.8436 0.9358 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5841 0.6690 0.9280 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8255 1.1052 2.1341 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6573 2.6100 2.1814 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3250 3.4267 2.9311 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9652 4.6967 2.7639 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4962 5.8733 3.4371 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9120 6.3853 4.6750 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4993 6.7740 4.7583 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4480 5.7338 4.6790 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9575 6.3730 4.7777 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9603 4.6382 1.7965 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2259 5.8088 1.2383 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7639 3.3301 1.4283 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8033 2.7903 0.4394 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7807 0.3104 0.8211 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8612 -0.4198 1.2874 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8479 0.5788 2.2324 P 0 0 0 0 0 5 0 0 0 0 0 0 6.8148 1.3521 1.3978 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7915 1.6403 3.0484 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6342 -0.3573 3.3671 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1692 -1.5281 2.8797 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8416 -2.2379 4.0480 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8954 -2.5362 5.1024 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8971 -2.4997 -7.7288 H 0 0 0 0 0 0 0 0 0 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1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 2 0 21 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 29 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 41 47 2 0 47 48 1 0 47 49 1 0 49 50 1 0 24 51 1 0 51 52 1 0 52 53 1 0 53 54 2 0 53 55 1 0 53 56 1 0 56 57 1 0 57 58 1 0 58 59 1 0 49 39 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 6 71 1 0 7 72 1 0 8 73 1 0 9 74 1 0 10 75 1 1 11 76 1 0 12 77 1 0 12 78 1 0 13 79 1 0 14 80 1 0 15 81 1 0 15 82 1 0 16 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 24 91 1 6 25 92 1 0 25 93 1 0 29 94 1 0 29 95 1 0 30 96 1 0 30 97 1 0 31 98 1 0 31 99 1 0 32100 1 0 32101 1 0 33102 1 0 33103 1 0 34104 1 0 34105 1 0 35106 1 0 35107 1 0 36108 1 0 36109 1 0 37110 1 0 37111 1 0 38112 1 0 38113 1 0 42114 1 0 42115 1 0 43116 1 0 43117 1 0 44118 1 0 44119 1 0 45120 1 0 45121 1 0 46122 1 0 46123 1 0 46124 1 0 48125 1 0 48126 1 0 48127 1 0 50128 1 0 50129 1 0 50130 1 0 51131 1 0 51132 1 0 55133 1 0 57134 1 0 57135 1 0 58136 1 0 58137 1 0 59138 1 0 59139 1 0 M END