HMDB0300238 RDKit 3D DG(i-21:0/PGF2alpha/0:0) 132132 0 0 0 0 0 0 0 0999 V2000 13.3065 1.8565 2.0293 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5894 1.3472 0.7384 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8925 2.3538 -0.3023 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2904 2.2317 -1.6311 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5624 1.0752 -2.4659 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0971 -0.2458 -2.0183 C 0 0 2 0 0 0 0 0 0 0 0 0 12.4486 -1.2344 -3.0025 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5946 -0.3390 -1.9705 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9954 -0.8452 -0.9035 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5274 -0.9927 -0.7325 C 0 0 1 0 0 0 0 0 0 0 0 0 7.7357 -0.6335 -1.9534 C 0 0 2 0 0 0 0 0 0 0 0 0 7.4043 0.7065 -1.9246 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4688 -1.4852 -1.7981 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0727 -2.8236 -1.3862 C 0 0 2 0 0 0 0 0 0 0 0 0 6.1838 -3.7186 -0.8726 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2474 -2.4857 -0.5306 C 0 0 2 0 0 0 0 0 0 0 0 0 8.1090 -2.7452 0.9193 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0420 -2.0250 1.6229 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0874 -2.7010 2.2521 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9810 -2.0483 2.9873 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6682 -2.4401 2.4367 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3640 -2.0629 1.0233 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3550 -0.5940 0.8846 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6717 0.1890 1.8059 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9742 0.0255 -0.3228 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9568 1.3906 -0.4539 C 0 0 1 0 0 0 0 0 0 0 0 0 3.9421 1.9148 -1.4906 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7884 3.3096 -1.4986 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6096 1.9303 -0.8567 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6344 1.5599 0.0685 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1502 0.2903 0.2282 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5333 -0.6647 -0.4850 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8583 -0.0235 1.2652 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2168 -0.3507 0.7337 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8825 0.7405 -0.0404 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1020 1.9870 0.6988 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8244 2.0704 1.9498 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2087 1.7209 2.2112 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7858 0.3875 2.1335 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8809 -0.4084 0.9138 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6633 0.2467 -0.2091 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0681 0.4827 0.3252 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9886 1.1259 -0.6599 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3325 1.3301 -0.0265 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.9716 0.0643 0.4284 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.2164 -0.9430 -0.6483 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.1158 -0.4766 -1.7426 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.4673 -0.1034 -1.1871 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.0747 -1.3061 -0.5125 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.4437 -0.8464 0.0088 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.2362 -0.3975 -1.1850 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.2010 0.2305 1.0182 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8392 1.3190 2.8825 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1145 2.9447 2.0378 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3788 1.5944 1.9691 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0804 0.3582 0.6046 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5322 1.2862 0.9653 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0307 2.4610 -0.3620 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6259 3.3919 0.1251 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5866 3.1562 -2.2685 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1427 2.3941 -1.5153 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2209 1.2150 -3.5430 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6945 1.0045 -2.5792 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4883 -0.6556 -1.1072 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1803 -2.1319 -2.6292 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9839 -0.0039 -2.7868 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6234 -1.1877 -0.0672 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1498 -0.3956 0.1255 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2028 -0.9683 -2.8964 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1523 1.3155 -2.0075 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7746 -1.0755 -1.0667 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0029 -1.5633 -2.7821 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4868 -3.2730 -2.3332 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7475 -4.2814 -1.5553 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1690 -3.0671 -0.8641 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0797 -2.4437 1.4166 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0275 -3.8528 1.0735 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9758 -0.9558 1.6682 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1272 -3.8035 2.2215 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0223 -2.4718 4.0427 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1702 -0.9546 3.0746 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8178 -2.0821 3.0890 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6428 -3.5764 2.4583 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3790 -2.5143 0.7550 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1364 -2.4785 0.3480 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2936 1.8446 0.5160 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9795 1.7259 -1.2072 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6672 1.5786 -2.5097 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6731 3.6770 -0.5865 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6578 3.0421 -0.9443 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3358 1.5880 -1.8986 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9902 0.8566 1.9465 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4295 -0.8712 1.8601 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0677 -1.2013 0.0011 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8787 -0.8004 1.5117 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6642 0.3488 -0.6783 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0668 1.0190 -0.8351 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0775 2.5161 0.7916 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6066 2.7160 -0.0412 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1871 1.6342 2.8228 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7399 3.1954 2.2705 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9029 2.4998 1.7021 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3977 2.0587 3.3142 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7932 0.3409 2.7112 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1568 -0.2601 2.8656 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6069 -1.2886 1.2035 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0421 -0.9474 0.5254 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7535 -0.5034 -1.0186 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2084 1.1427 -0.6217 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0713 1.0614 1.2679 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5270 -0.5131 0.6071 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0623 0.5245 -1.6027 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5959 2.1149 -0.9809 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1477 1.9445 0.9006 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0109 1.9540 -0.6453 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4001 -0.4046 1.2505 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.9682 0.3057 0.8753 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2589 -1.2710 -1.1311 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.6163 -1.8613 -0.1808 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.7302 0.4149 -2.2791 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.2083 -1.2745 -2.5276 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.0892 0.1693 -2.0941 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.3499 0.7551 -0.5181 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.5199 -1.6004 0.3957 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.2418 -2.1117 -1.2272 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.8957 -1.7603 0.4565 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.9860 0.6418 -1.4621 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.3276 -0.5429 -0.9895 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.9171 -1.0393 -2.0563 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.1172 1.2180 0.5280 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.2778 0.0697 1.6035 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.0498 0.1945 1.7431 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 1 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 50 51 1 0 50 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 1 7 65 1 0 8 66 1 0 9 67 1 0 10 68 1 1 11 69 1 6 12 70 1 0 13 71 1 0 13 72 1 0 14 73 1 6 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 28 89 1 0 29 90 1 0 29 91 1 0 33 92 1 0 33 93 1 0 34 94 1 0 34 95 1 0 35 96 1 0 35 97 1 0 36 98 1 0 36 99 1 0 37100 1 0 37101 1 0 38102 1 0 38103 1 0 39104 1 0 39105 1 0 40106 1 0 40107 1 0 41108 1 0 41109 1 0 42110 1 0 42111 1 0 43112 1 0 43113 1 0 44114 1 0 44115 1 0 45116 1 0 45117 1 0 46118 1 0 46119 1 0 47120 1 0 47121 1 0 48122 1 0 48123 1 0 49124 1 0 49125 1 0 50126 1 0 51127 1 0 51128 1 0 51129 1 0 52130 1 0 52131 1 0 52132 1 0 M END