HMDB0297946 RDKit 3D DG(a-21:0/PGD2/0:0) 130130 0 0 0 0 0 0 0 0999 V2000 16.1156 1.5190 1.1212 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2450 0.1187 1.5516 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7993 -0.9561 0.6118 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4592 -1.0223 -0.6894 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2652 -0.0309 -1.7543 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9300 -0.0864 -2.4029 C 0 0 2 0 0 0 0 0 0 0 0 0 14.8372 0.9085 -3.4281 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7800 0.1353 -1.5474 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8028 -0.7944 -1.4452 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6394 -0.5805 -0.5911 C 0 0 1 0 0 0 0 0 0 0 0 0 11.7392 -1.6370 0.5013 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5708 -2.8059 0.2849 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0571 -0.9938 1.7727 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1493 0.4971 1.5001 C 0 0 2 0 0 0 0 0 0 0 0 0 11.4995 1.2262 2.4897 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5230 0.7009 0.1392 C 0 0 2 0 0 0 0 0 0 0 0 0 10.0239 1.0818 0.3217 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3835 1.2065 -0.9917 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3619 0.5009 -1.4383 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7420 -0.5263 -0.6095 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2597 -0.2562 -0.3796 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5131 -0.2579 -1.6932 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0671 -0.0039 -1.4884 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5414 1.1217 -1.7994 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2161 -0.9453 -0.9626 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8508 -0.8478 -0.7377 C 0 0 1 0 0 0 0 0 0 0 0 0 0.9967 -1.8437 -1.4454 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1755 -1.7073 -2.8254 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4973 -0.7203 0.7414 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1226 -0.7152 0.9163 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7520 0.1693 0.3690 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3722 1.0952 -0.3627 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2106 -0.0319 0.6892 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9929 0.9100 -0.1954 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4477 0.7219 0.0775 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8805 1.0366 1.4700 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3525 0.7553 1.6204 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2204 1.5107 0.6691 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6936 1.1905 0.8607 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9446 -0.2901 0.6966 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.4657 -0.5141 0.8777 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.7303 -1.9703 0.7814 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.1050 -2.4704 0.9090 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.1269 -2.1644 -0.0897 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.5132 -0.7743 -0.3817 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.0137 0.0352 0.7817 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.3585 1.4267 0.2820 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.4193 1.4270 -0.7762 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.6959 0.8219 -0.2381 C 0 0 0 0 0 0 0 0 0 0 0 0 -17.1690 1.6392 0.9354 C 0 0 0 0 0 0 0 0 0 0 0 0 -17.7940 0.7473 -1.2644 C 0 0 0 0 0 0 0 0 0 0 0 0 -17.3881 -0.1003 -2.4529 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2417 1.6873 0.4957 H 0 0 0 0 0 0 0 0 0 0 0 0 17.0732 1.9003 0.6414 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9375 2.1746 2.0371 H 0 0 0 0 0 0 0 0 0 0 0 0 17.3001 -0.1355 1.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6032 0.0208 2.5000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9104 -1.9797 1.1207 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6787 -0.8702 0.5412 H 0 0 0 0 0 0 0 0 0 0 0 0 16.2501 -2.0578 -1.1712 H 0 0 0 0 0 0 0 0 0 0 0 0 17.6113 -1.0994 -0.5596 H 0 0 0 0 0 0 0 0 0 0 0 0 17.0192 -0.1891 -2.5996 H 0 0 0 0 0 0 0 0 0 0 0 0 16.4719 1.0290 -1.3981 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7711 -1.0699 -2.9365 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0941 1.7833 -3.0922 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7260 1.0705 -1.0110 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9419 -1.7064 -2.0403 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7217 -0.8271 -1.1908 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0059 -1.4129 2.1674 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2835 -1.2269 2.5543 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2224 0.7696 1.5363 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3582 0.6623 3.3014 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0406 1.5144 -0.3684 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0856 2.1340 0.7366 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5459 0.4969 1.0803 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8036 1.9762 -1.6786 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9876 0.6926 -2.4298 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7549 -1.5434 -1.1064 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1739 -0.7015 0.3829 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1836 0.7436 0.0799 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8868 -1.0019 0.3262 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9632 0.4114 -2.4373 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6031 -1.2850 -2.1170 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5585 0.1757 -1.1500 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0684 -1.5431 -1.2593 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0877 -2.8746 -1.1078 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1299 -1.8090 -3.0810 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9374 -1.5828 1.3123 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0079 0.1886 1.1143 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3286 0.1926 1.7698 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5497 -1.0463 0.4702 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6387 1.9405 -0.0109 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7517 0.6520 -1.2438 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9884 1.4290 -0.6177 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7196 -0.3142 -0.2267 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3379 0.4784 2.2439 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6975 2.1234 1.6391 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6334 1.0275 2.6713 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5076 -0.3508 1.5606 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1182 2.5943 0.8742 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0019 1.3518 -0.3837 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2465 1.7173 0.0681 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0487 1.5712 1.8339 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6611 -0.6409 -0.3133 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4664 -0.9161 1.4494 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7350 -0.1220 1.9025 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0191 0.1002 0.1744 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0732 -2.4599 1.5788 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2958 -2.4027 -0.1860 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.4782 -2.2132 1.9720 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.0460 -3.6234 0.9630 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.7539 -2.5950 -1.0882 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.0724 -2.7954 0.0803 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.4663 -0.8808 -1.0667 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.8184 -0.2256 -1.0297 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.8740 -0.4580 1.2714 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.1887 0.1507 1.5394 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.6900 2.0464 1.1311 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.4309 1.8948 -0.1200 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.0725 0.9181 -1.6860 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.6181 2.4995 -1.0813 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.5023 -0.2094 0.0980 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.9366 2.7147 0.7015 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.6505 1.3054 1.8411 H 0 0 0 0 0 0 0 0 0 0 0 0 -18.2609 1.5602 1.0194 H 0 0 0 0 0 0 0 0 0 0 0 0 -18.1216 1.7301 -1.6324 H 0 0 0 0 0 0 0 0 0 0 0 0 -18.6617 0.2492 -0.7777 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.7239 -0.9420 -2.1198 H 0 0 0 0 0 0 0 0 0 0 0 0 -18.3261 -0.5330 -2.8694 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.9099 0.5102 -3.2463 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 26 29 1 0 29 30 1 0 30 31 1 0 31 32 2 0 31 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 47 48 1 0 48 49 1 0 49 50 1 0 49 51 1 0 51 52 1 0 16 10 1 0 1 53 1 0 1 54 1 0 1 55 1 0 2 56 1 0 2 57 1 0 3 58 1 0 3 59 1 0 4 60 1 0 4 61 1 0 5 62 1 0 5 63 1 0 6 64 1 6 7 65 1 0 8 66 1 0 9 67 1 0 10 68 1 6 13 69 1 0 13 70 1 0 14 71 1 6 15 72 1 0 16 73 1 6 17 74 1 0 17 75 1 0 18 76 1 0 19 77 1 0 20 78 1 0 20 79 1 0 21 80 1 0 21 81 1 0 22 82 1 0 22 83 1 0 26 84 1 6 27 85 1 0 27 86 1 0 28 87 1 0 29 88 1 0 29 89 1 0 33 90 1 0 33 91 1 0 34 92 1 0 34 93 1 0 35 94 1 0 35 95 1 0 36 96 1 0 36 97 1 0 37 98 1 0 37 99 1 0 38100 1 0 38101 1 0 39102 1 0 39103 1 0 40104 1 0 40105 1 0 41106 1 0 41107 1 0 42108 1 0 42109 1 0 43110 1 0 43111 1 0 44112 1 0 44113 1 0 45114 1 0 45115 1 0 46116 1 0 46117 1 0 47118 1 0 47119 1 0 48120 1 0 48121 1 0 49122 1 0 50123 1 0 50124 1 0 50125 1 0 51126 1 0 51127 1 0 52128 1 0 52129 1 0 52130 1 0 M END