HMDB0297047 RDKit 3D DG(2:0/PGF1alpha/0:0) 77 77 0 0 0 0 0 0 0 0999 V2000 10.1304 -0.7418 -1.0277 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0271 -0.9380 0.0078 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6706 -0.9364 -0.6364 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3503 0.3303 -1.3556 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3508 1.5626 -0.5180 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3693 1.5536 0.6092 C 0 0 2 0 0 0 0 0 0 0 0 0 6.5791 0.5203 1.5105 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9841 1.4902 0.0698 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9715 1.4925 0.9128 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5354 1.4351 0.5587 C 0 0 1 0 0 0 0 0 0 0 0 0 2.3006 1.1838 -0.8823 C 0 0 2 0 0 0 0 0 0 0 0 0 1.0808 1.7677 -1.2907 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2195 -0.3257 -1.0616 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6222 -0.8657 0.2908 C 0 0 2 0 0 0 0 0 0 0 0 0 2.2682 -2.1679 0.5175 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0096 0.1423 1.2332 C 0 0 2 0 0 0 0 0 0 0 0 0 0.5154 0.1605 1.1938 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1646 -1.0062 1.8201 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6728 -0.9127 1.7481 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1984 -0.8438 0.3528 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6917 -0.7549 0.3968 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3596 -1.9136 1.0634 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8264 -1.6782 1.0252 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5733 -2.5404 1.5380 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.3871 -0.5711 0.4594 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.7997 -0.3052 0.4012 C 0 0 1 0 0 0 0 0 0 0 0 0 -8.1411 0.8382 1.2733 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4992 2.0368 0.9676 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.2895 -0.3699 -0.9858 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6037 -0.1718 -1.2360 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.3671 0.9269 -1.1565 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.8531 0.9142 -1.4700 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8798 2.0304 -0.8145 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1485 0.2674 -1.4349 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9090 -1.4847 -1.8403 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0811 -1.0322 -0.5634 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1908 -1.9695 0.4166 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1331 -0.2537 0.8548 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7137 -1.7410 -1.4306 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9197 -1.2815 0.0749 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2945 0.2118 -1.7429 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9689 0.4446 -2.2527 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0504 2.4089 -1.1959 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3540 1.8450 -0.1399 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4430 2.5286 1.1377 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7109 0.1205 1.7215 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8517 1.4421 -0.9909 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2748 1.5433 1.9861 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9713 2.3075 0.9602 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0387 1.5596 -1.5910 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1991 2.7441 -1.3353 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2199 -0.6013 -1.3902 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9289 -0.6783 -1.8528 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 -0.7211 0.3458 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9260 -2.5409 -0.3425 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4118 0.0648 2.2562 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1730 0.2181 0.1390 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1449 1.1295 1.6454 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2135 -1.9667 1.4555 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0851 -0.9799 2.9215 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0329 -0.0588 2.3285 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0519 -1.8795 2.1929 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9371 -1.7604 -0.2177 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8367 0.0771 -0.1698 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0401 0.1725 0.9272 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1433 -0.6664 -0.6300 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0843 -2.0269 2.1288 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1316 -2.8437 0.5099 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2362 -1.2239 0.9256 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6973 0.5750 2.3035 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1993 0.9673 1.4853 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2405 2.0819 -0.0035 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9849 -1.4103 -1.3672 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6771 0.2989 -1.6765 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.3844 1.0240 -0.5167 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.0430 1.7896 -2.1188 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.0456 -0.0434 -1.9815 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 1 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 1 0 31 33 2 0 16 10 1 0 1 34 1 0 1 35 1 0 1 36 1 0 2 37 1 0 2 38 1 0 3 39 1 0 3 40 1 0 4 41 1 0 4 42 1 0 5 43 1 0 5 44 1 0 6 45 1 1 7 46 1 0 8 47 1 0 9 48 1 0 10 49 1 1 11 50 1 6 12 51 1 0 13 52 1 0 13 53 1 0 14 54 1 6 15 55 1 0 16 56 1 1 17 57 1 0 17 58 1 0 18 59 1 0 18 60 1 0 19 61 1 0 19 62 1 0 20 63 1 0 20 64 1 0 21 65 1 0 21 66 1 0 22 67 1 0 22 68 1 0 26 69 1 1 27 70 1 0 27 71 1 0 28 72 1 0 29 73 1 0 29 74 1 0 32 75 1 0 32 76 1 0 32 77 1 0 M END