HMDB0268064 RDKit 3D PA(i-19:0/PGD2) 129129 0 0 0 0 0 0 0 0999 V2000 15.4731 1.0929 -1.0660 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8453 1.4438 0.2522 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2945 0.2439 0.9681 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2280 -0.3928 0.0807 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6702 -1.6066 0.7971 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6139 -2.2584 -0.0399 C 0 0 2 0 0 0 0 0 0 0 0 0 12.1535 -2.6512 -1.2417 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4755 -1.3126 -0.2928 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2629 -1.5908 0.1331 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0728 -0.7427 -0.0531 C 0 0 1 0 0 0 0 0 0 0 0 0 7.5508 -0.3517 1.2677 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9669 -1.0842 2.0349 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8539 1.0715 1.5040 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7127 1.4827 0.3100 C 0 0 2 0 0 0 0 0 0 0 0 0 8.4875 2.8159 0.0398 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3061 0.5388 -0.7762 C 0 0 2 0 0 0 0 0 0 0 0 0 6.9650 0.9352 -1.4166 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2180 2.2049 -2.1289 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5690 3.2939 -1.8750 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5047 3.4858 -0.8910 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2829 4.0118 -1.6002 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6861 3.1315 -2.6442 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1840 1.8817 -2.0270 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8181 0.8103 -1.9903 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9120 1.8419 -1.4272 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3459 0.7124 -0.8237 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.0062 0.3727 -1.4560 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4845 -0.7844 -0.7505 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7134 -1.3498 -1.0969 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3323 -0.7898 -2.0323 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2921 -2.5393 -0.4280 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5250 -2.2243 0.3851 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6427 -1.6363 -0.4346 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8615 -1.3357 0.4025 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4595 -2.5259 1.0752 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9271 -3.5882 0.0909 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9676 -3.0576 -0.8429 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1996 -2.5496 -0.0686 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8224 -3.6267 0.7227 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.9476 -3.2484 1.5844 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.2085 -2.6943 1.1235 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.2275 -1.3823 0.4513 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.7141 -0.9894 0.1382 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.6530 0.3397 -0.5446 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.0220 1.4347 0.2568 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.0718 2.6952 -0.6162 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.2936 2.3959 -1.8897 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.3032 3.8018 0.1118 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0097 1.1331 0.6148 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4417 0.0259 1.2538 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0872 0.5467 2.8438 P 0 0 0 0 0 5 0 0 0 0 0 0 -1.1126 -0.1746 3.3737 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2738 2.2196 2.8428 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4287 0.2302 3.8017 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7667 0.6840 -1.8119 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9211 2.0352 -1.4782 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3342 0.3970 -0.9003 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6258 1.9485 0.8617 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0093 2.1550 0.0664 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7974 0.6138 1.8888 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0795 -0.4945 1.1895 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4107 0.3278 -0.0908 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6532 -0.7380 -0.8692 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4922 -2.3392 0.9475 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2061 -1.2712 1.7380 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2429 -3.1732 0.4729 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2816 -1.8773 -1.8611 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6413 -0.3982 -0.8315 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1181 -2.5317 0.6725 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2509 -1.3491 -0.5463 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4155 1.2362 2.4419 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9148 1.6637 1.5236 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7902 1.3092 0.5376 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1491 3.3828 0.5222 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0106 0.4909 -1.6194 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1696 0.9460 -0.6804 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8051 0.1514 -2.2144 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0149 2.1541 -2.9057 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8538 4.1815 -2.4717 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2868 2.6448 -0.2277 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8411 4.3241 -0.2136 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5428 4.2343 -0.7854 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5328 5.0323 -2.0043 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8196 3.6691 -3.0900 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4414 2.9259 -3.4367 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9507 -0.1926 -0.8351 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1025 0.1521 -2.5313 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6486 1.2535 -1.3058 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5192 -3.2706 -1.2459 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5613 -3.0362 0.2432 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8405 -3.0558 1.0196 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2021 -1.4138 1.1052 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9504 -2.2644 -1.2934 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3249 -0.6503 -0.8560 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6086 -0.8516 -0.2705 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6223 -0.5978 1.1981 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3152 -2.1585 1.6866 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7296 -2.9306 1.7896 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2162 -4.4888 0.6461 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0051 -3.8704 -0.4864 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3276 -3.8901 -1.4759 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5466 -2.2877 -1.5011 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9310 -2.2240 -0.8684 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8827 -1.6632 0.4820 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1815 -4.4775 0.0504 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0729 -4.1532 1.3906 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4989 -2.4908 2.3442 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1651 -4.1535 2.2972 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.8046 -3.4705 0.5392 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.8692 -2.5700 2.0585 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.7745 -1.3290 -0.5301 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.9005 -0.6125 1.1787 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.1960 -0.9502 1.1178 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.0888 -1.7413 -0.5553 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.6985 0.6589 -0.7647 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.0684 0.2247 -1.4755 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.5322 1.5980 1.2165 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.9254 1.2702 0.4266 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.0882 3.0302 -0.8200 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.0217 1.9377 -2.6108 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.5234 1.6282 -1.7109 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.8759 3.3042 -2.3388 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.4255 3.3890 0.6181 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.9342 4.3247 0.8389 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.9463 4.5629 -0.6266 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9255 1.4148 1.1445 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3437 2.0063 0.6023 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2195 2.5329 3.7719 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9431 -0.5352 3.4830 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 6 8 1 0 8 9 2 0 9 10 1 0 10 11 1 0 11 12 2 0 11 13 1 0 13 14 1 0 14 15 1 0 14 16 1 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 1 0 23 24 2 0 23 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 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 46 47 1 0 46 48 1 0 26 49 1 0 49 50 1 0 50 51 1 0 51 52 2 0 51 53 1 0 51 54 1 0 16 10 1 0 1 55 1 0 1 56 1 0 1 57 1 0 2 58 1 0 2 59 1 0 3 60 1 0 3 61 1 0 4 62 1 0 4 63 1 0 5 64 1 0 5 65 1 0 6 66 1 1 7 67 1 0 8 68 1 0 9 69 1 0 10 70 1 6 13 71 1 0 13 72 1 0 14 73 1 1 15 74 1 0 16 75 1 6 17 76 1 0 17 77 1 0 18 78 1 0 19 79 1 0 20 80 1 0 20 81 1 0 21 82 1 0 21 83 1 0 22 84 1 0 22 85 1 0 26 86 1 1 27 87 1 0 27 88 1 0 31 89 1 0 31 90 1 0 32 91 1 0 32 92 1 0 33 93 1 0 33 94 1 0 34 95 1 0 34 96 1 0 35 97 1 0 35 98 1 0 36 99 1 0 36100 1 0 37101 1 0 37102 1 0 38103 1 0 38104 1 0 39105 1 0 39106 1 0 40107 1 0 40108 1 0 41109 1 0 41110 1 0 42111 1 0 42112 1 0 43113 1 0 43114 1 0 44115 1 0 44116 1 0 45117 1 0 45118 1 0 46119 1 0 47120 1 0 47121 1 0 47122 1 0 48123 1 0 48124 1 0 48125 1 0 49126 1 0 49127 1 0 53128 1 0 54129 1 0 M END