HMDB0283752 RDKit 3D PE(22:0/TXB2) 149149 0 0 0 0 0 0 0 0999 V2000 -17.3106 4.3771 0.0186 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.2902 4.5884 1.1124 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.3317 3.4086 1.0737 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.1203 2.1583 1.3090 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.2482 0.9343 1.2881 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.5667 0.8022 -0.0360 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.6980 -0.4457 -0.0588 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.0326 -0.5423 -1.4100 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.1770 -1.7586 -1.5343 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.0646 -1.7500 -0.4922 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2836 -3.0211 -0.7266 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1597 -3.1948 0.2022 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1481 -2.0644 0.1186 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5899 -1.9199 -1.2507 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5527 -0.9159 -1.5097 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1694 -1.0488 -0.9981 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0268 -1.2040 0.4463 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6786 -1.1605 1.0693 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6339 -2.1233 0.7590 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0624 -2.2366 -0.5986 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4547 -0.9238 -1.0763 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3479 -0.5926 -0.1243 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0768 0.5574 0.2471 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3939 -1.6323 0.3476 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4641 -1.6380 1.2040 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7157 -0.9781 0.7139 C 0 0 2 0 0 0 0 0 0 0 0 0 3.8183 -1.2154 1.7697 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8364 -2.6130 1.9594 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0046 -3.0129 3.0955 P 0 0 0 0 0 5 0 0 0 0 0 0 6.0492 -1.9422 3.1915 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2670 -3.2784 4.6103 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7762 -4.4608 2.6483 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9223 -5.2317 1.8602 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5418 -6.5243 1.4368 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7468 -6.3507 0.6578 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5660 0.3602 0.4156 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8316 0.9516 -0.8339 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2377 0.2401 -1.7504 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6040 2.3970 -0.9792 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7858 3.1376 0.3252 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2504 2.9821 0.7721 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1055 3.5935 -0.2599 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0344 2.9777 -0.9375 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3885 1.5574 -0.7817 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8545 1.3975 -0.3748 C 0 0 1 0 0 0 0 0 0 0 0 0 8.2028 -0.0615 -0.2182 C 0 0 1 0 0 0 0 0 0 0 0 0 7.4573 -0.6892 0.7472 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0538 -0.7689 -1.5305 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6732 -0.0055 -2.6754 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0150 -0.4520 -3.8482 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4915 1.3440 -2.6208 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7710 1.9683 -1.4318 C 0 0 2 0 0 0 0 0 0 0 0 0 10.1835 1.7609 -0.9617 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1910 1.6113 -1.7655 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5773 1.4063 -1.2206 C 0 0 1 0 0 0 0 0 0 0 0 0 13.4788 2.2035 -1.9278 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5938 1.5837 0.2507 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9111 1.3912 0.9086 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9935 2.3260 0.4496 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6280 3.7706 0.6592 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8053 4.5995 0.1530 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.8598 3.7343 -0.7550 H 0 0 0 0 0 0 0 0 0 0 0 0 -18.2049 3.8957 0.4660 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.5592 5.3770 -0.4043 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.8124 4.6138 2.0930 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.7692 5.5530 0.9565 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.8725 3.4185 0.0625 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.5571 3.5707 1.8455 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.8697 2.0827 0.4763 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.7212 2.2054 2.2339 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.4560 1.0430 2.0829 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.8241 0.0198 1.5279 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.3492 0.6426 -0.8302 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.9188 1.6507 -0.2823 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.2872 -1.3569 0.1532 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.9448 -0.3290 0.7364 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.4200 0.3650 -1.5957 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.7936 -0.5996 -2.2254 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.8231 -2.6584 -1.3695 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.7586 -1.7852 -2.5469 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.4975 -1.7321 0.5267 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4395 -0.8511 -0.6678 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9009 -2.9855 -1.7831 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9917 -3.9134 -0.6454 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5295 -3.2711 1.2564 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5786 -4.1385 0.0191 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7241 -1.1021 0.3112 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4790 -2.1861 0.9506 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4862 -1.6151 -1.9044 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3280 -2.9348 -1.6835 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4644 -0.7182 -2.6334 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8995 0.1247 -1.1436 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6147 -0.1217 -1.3507 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6973 -1.9096 -1.5739 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7022 -0.5280 0.9969 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4350 -2.2781 0.6547 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2565 -0.1094 0.9385 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8595 -1.1821 2.2008 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9250 -3.1681 1.1421 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7387 -1.9088 1.4503 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1474 -2.9565 -0.5539 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7289 -2.6430 -1.3357 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0558 -1.0096 -2.0856 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2137 -0.1178 -0.9529 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1569 -1.2140 2.2169 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7563 -2.7158 1.4158 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0427 -1.4993 -0.2272 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8042 -0.9231 1.3893 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5316 -0.7069 2.7087 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9892 -4.2364 4.6289 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9631 -5.4673 2.3636 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6671 -4.6440 0.9586 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7401 -7.2278 2.2503 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8068 -7.0277 0.7559 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0306 -7.2337 0.2042 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6453 -5.6314 -0.0859 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3588 2.7905 -1.7133 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6165 2.5772 -1.4260 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6397 4.2260 0.1297 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0847 2.7974 1.0904 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3879 1.9180 0.9463 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3674 3.4842 1.7642 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9396 4.6757 -0.4744 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5893 3.5838 -1.6826 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2034 1.0583 -1.7621 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7934 0.9961 -0.0519 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0321 1.9667 0.5565 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3011 -0.1041 0.0381 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9560 -0.7626 1.5990 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0163 -1.0975 -1.7475 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6524 -1.7246 -1.4364 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7217 -0.3156 -2.8179 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0574 -0.6455 -3.6849 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5619 3.0539 -1.5642 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3273 1.7498 0.1075 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0552 1.6382 -2.8535 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8044 0.3199 -1.4263 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8778 1.6720 -2.6755 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9284 0.7547 0.6750 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1644 2.5763 0.5720 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8439 1.5338 2.0197 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2651 0.3202 0.8138 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2329 2.1476 -0.6044 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9328 2.1536 1.0744 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7418 4.0623 0.0646 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4308 4.0040 1.7281 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8673 5.5818 0.6206 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6726 4.7151 -0.9268 H 0 0 0 0 0 0 0 0 0 0 0 0 16.7396 4.0039 0.3299 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 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 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 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 1 0 29 30 2 0 29 31 1 0 29 32 1 0 32 33 1 0 33 34 1 0 34 35 1 0 26 36 1 0 36 37 1 0 37 38 2 0 37 39 1 0 39 40 1 0 40 41 1 0 41 42 1 0 42 43 2 0 43 44 1 0 44 45 1 0 45 46 1 0 46 47 1 0 46 48 1 0 48 49 1 0 49 50 1 0 49 51 1 0 51 52 1 0 52 53 1 0 53 54 2 0 54 55 1 0 55 56 1 0 55 57 1 0 57 58 1 0 58 59 1 0 59 60 1 0 60 61 1 0 52 45 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 6 74 1 0 7 75 1 0 7 76 1 0 8 77 1 0 8 78 1 0 9 79 1 0 9 80 1 0 10 81 1 0 10 82 1 0 11 83 1 0 11 84 1 0 12 85 1 0 12 86 1 0 13 87 1 0 13 88 1 0 14 89 1 0 14 90 1 0 15 91 1 0 15 92 1 0 16 93 1 0 16 94 1 0 17 95 1 0 17 96 1 0 18 97 1 0 18 98 1 0 19 99 1 0 19100 1 0 20101 1 0 20102 1 0 21103 1 0 21104 1 0 25105 1 0 25106 1 0 26107 1 6 27108 1 0 27109 1 0 31110 1 0 33111 1 0 33112 1 0 34113 1 0 34114 1 0 35115 1 0 35116 1 0 39117 1 0 39118 1 0 40119 1 0 40120 1 0 41121 1 0 41122 1 0 42123 1 0 43124 1 0 44125 1 0 44126 1 0 45127 1 1 46128 1 1 47129 1 0 48130 1 0 48131 1 0 49132 1 0 50133 1 0 52134 1 6 53135 1 0 54136 1 0 55137 1 1 56138 1 0 57139 1 0 57140 1 0 58141 1 0 58142 1 0 59143 1 0 59144 1 0 60145 1 0 60146 1 0 61147 1 0 61148 1 0 61149 1 0 M END