HMDB0266060 RDKit 3D PA(PGD1/22:5(4Z,7Z,10Z,13Z,16Z)) 130130 0 0 0 0 0 0 0 0999 V2000 -14.8115 -2.3758 1.1130 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.3045 -2.3112 1.4037 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.0335 -0.9493 1.9462 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.6656 -0.6231 2.3541 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.5865 -0.6299 1.3298 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3134 -1.8981 0.6552 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3167 -2.1690 -0.6159 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.6156 -1.1664 -1.6867 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4554 -1.1255 -2.5840 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6937 -0.2009 -2.9915 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6943 1.2303 -2.7143 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7537 1.7337 -1.8905 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8059 2.3605 -0.7628 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7110 2.7901 0.0863 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3767 2.5874 -0.3877 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4004 1.8506 0.1178 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5889 1.0802 1.3393 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3266 -0.3523 1.1220 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4054 -1.0602 1.7721 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5658 -0.4351 2.7764 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0613 -0.5333 2.5114 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6704 -0.0001 1.1958 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5888 0.1068 0.3357 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3924 0.3851 0.8445 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1410 0.8652 -0.4777 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.1125 0.1379 -1.2255 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2106 0.1580 -0.8404 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1267 1.1602 -0.9855 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7953 2.2417 -1.5692 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5056 1.0280 -0.4782 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8060 -0.2574 0.1916 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6957 -1.5041 -0.5624 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4421 -1.7767 -1.7921 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9284 -1.7524 -1.7916 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4868 -0.4109 -1.5526 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0285 -0.3520 -1.5780 C 0 0 1 0 0 0 0 0 0 0 0 0 8.3355 1.1252 -1.3267 C 0 0 1 0 0 0 0 0 0 0 0 0 7.1886 1.9097 -1.6038 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5721 1.2379 0.1450 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2082 -0.0794 0.7384 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7614 -0.3235 1.8410 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5310 -1.0576 -0.3688 C 0 0 2 0 0 0 0 0 0 0 0 0 9.9854 -1.2595 -0.3116 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8329 -0.8783 -1.2530 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3037 -1.1011 -1.1479 C 0 0 1 0 0 0 0 0 0 0 0 0 12.7958 -1.2020 -2.4538 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9357 0.1307 -0.5366 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4185 -0.0115 -0.3865 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7922 -1.1760 0.5075 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2010 -1.0148 1.8919 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6894 0.2476 2.5606 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0358 2.3734 -0.3959 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0845 2.7453 0.5381 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0514 4.4322 0.6340 P 0 0 0 0 0 5 0 0 0 0 0 0 0.2135 4.9236 -0.7953 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3323 4.9379 1.5774 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3927 5.0332 1.2760 O 0 0 0 0 0 0 0 0 0 0 0 0 -15.3846 -2.5535 2.0480 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.0121 -3.2222 0.4298 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.1270 -1.4003 0.6986 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.0603 -3.0987 2.1449 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.7511 -2.4991 0.4716 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.3857 -0.1600 1.2025 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.7417 -0.7902 2.8134 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.3585 -1.3228 3.2019 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.6274 0.4262 2.8157 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8685 0.1986 0.6081 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6424 -0.2654 1.8784 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0681 -2.7554 1.3427 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0866 -3.2045 -0.9658 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.4871 -1.5637 -2.2946 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9122 -0.2618 -1.1965 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2069 -2.1705 -2.9903 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8595 -0.5257 -3.6976 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7305 1.7572 -3.7604 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6435 1.4646 -2.4264 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7898 1.5875 -2.3693 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8640 2.5932 -0.4125 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9110 3.9180 0.2764 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9411 2.3891 1.1116 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0650 3.1792 -1.2939 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4515 1.8544 -0.4276 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6935 1.0985 1.6152 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1190 1.5318 2.2303 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9253 -0.8682 0.3820 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2804 -2.1086 1.5537 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6836 -1.1066 3.7073 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8207 0.5447 3.1546 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5133 -0.0690 3.3690 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7318 -1.6159 2.5389 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1362 0.7080 -1.0361 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1181 0.5473 -2.3004 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4261 -0.9559 -1.3582 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6361 1.9023 0.2434 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2471 1.3024 -1.2923 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6630 -0.1880 0.8997 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9189 -0.3360 0.9775 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9675 -2.3453 0.1845 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5888 -1.7664 -0.7277 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1235 -1.0040 -2.5737 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0622 -2.7330 -2.2871 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2691 -2.2077 -2.7602 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2487 -2.4943 -0.9999 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2124 0.0277 -0.6112 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1032 0.2708 -2.3618 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3805 -0.7179 -2.5397 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1156 1.5324 -1.9676 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2239 2.2408 -2.5392 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9117 2.0105 0.6392 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6261 1.5070 0.3246 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0074 -2.0162 -0.1416 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3858 -1.7577 0.5695 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4290 -0.3938 -2.1316 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5617 -2.0407 -0.6394 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9767 -0.2911 -2.7692 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4890 0.4502 0.4095 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7567 0.9596 -1.2710 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9574 -0.1122 -1.3309 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8008 0.9121 0.1229 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4791 -2.1108 0.0310 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8924 -1.1607 0.6247 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0954 -0.9413 1.8615 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4969 -1.8721 2.5027 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1547 1.1501 2.1501 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7727 0.3384 2.3920 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4645 0.1477 3.6615 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8231 2.8620 -1.3425 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0044 2.8014 -0.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7986 4.1921 2.0595 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8352 4.3759 1.8473 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 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 2 0 16 17 1 0 17 18 1 0 18 19 2 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 37 39 1 0 39 40 1 0 40 41 2 0 40 42 1 0 42 43 1 0 43 44 2 0 44 45 1 0 45 46 1 0 45 47 1 0 47 48 1 0 48 49 1 0 49 50 1 0 50 51 1 0 25 52 1 0 52 53 1 0 53 54 1 0 54 55 2 0 54 56 1 0 54 57 1 0 42 36 1 0 1 58 1 0 1 59 1 0 1 60 1 0 2 61 1 0 2 62 1 0 3 63 1 0 3 64 1 0 4 65 1 0 4 66 1 0 5 67 1 0 5 68 1 0 6 69 1 0 7 70 1 0 8 71 1 0 8 72 1 0 9 73 1 0 10 74 1 0 11 75 1 0 11 76 1 0 12 77 1 0 13 78 1 0 14 79 1 0 14 80 1 0 15 81 1 0 16 82 1 0 17 83 1 0 17 84 1 0 18 85 1 0 19 86 1 0 20 87 1 0 20 88 1 0 21 89 1 0 21 90 1 0 25 91 1 6 26 92 1 0 26 93 1 0 30 94 1 0 30 95 1 0 31 96 1 0 31 97 1 0 32 98 1 0 32 99 1 0 33100 1 0 33101 1 0 34102 1 0 34103 1 0 35104 1 0 35105 1 0 36106 1 6 37107 1 6 38108 1 0 39109 1 0 39110 1 0 42111 1 1 43112 1 0 44113 1 0 45114 1 1 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 51126 1 0 52127 1 0 52128 1 0 56129 1 0 57130 1 0 M END