HMDB0060054 RDKit 3D bicyclo-PGE2 54 55 0 0 0 0 0 0 0 0999 V2000 -6.8131 0.1951 -1.2683 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0671 -0.7987 -0.4194 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8436 -0.1538 0.2287 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8843 0.3746 -0.8191 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7131 0.9898 -0.1622 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7295 1.5328 -1.1406 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7058 1.2565 -2.3151 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7171 2.4818 -0.5955 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4357 2.1215 0.8453 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5971 0.6481 1.1098 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.9600 0.1251 0.7890 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.6914 -1.2567 0.3438 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4375 -1.1860 -0.4156 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0779 -1.8410 -1.3772 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3675 -0.1149 0.2269 C 0 0 2 0 0 0 0 0 0 0 0 0 1.4526 -0.6781 1.1296 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4549 -1.4429 0.3940 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7404 -1.1940 0.3246 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3766 -0.0729 0.9988 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0681 0.8726 0.0309 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1411 0.2262 -0.7744 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2501 -0.3496 -0.0031 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3592 -0.3255 1.2460 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2766 -0.9798 -0.6993 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.8978 -0.0973 -1.3511 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4371 0.2381 -2.3128 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7337 1.1974 -0.8413 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7348 -1.1109 0.4044 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7839 -1.7017 -1.0016 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3968 -0.8293 0.9549 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2625 0.7235 0.8044 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6654 -0.3582 -1.6013 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4475 1.2070 -1.3383 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0805 1.8812 0.4239 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2388 3.4831 -0.5599 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1785 2.5617 -1.2152 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0365 2.7071 1.5588 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6307 2.3690 1.0342 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3815 0.4877 2.1843 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5484 0.0777 1.7413 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5105 -1.7720 -0.1786 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4818 -1.8819 1.2606 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7679 0.5442 -0.5598 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8114 0.1498 1.7307 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8912 -1.3421 1.8652 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0402 -2.3301 -0.1569 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3309 -1.9011 -0.2907 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1032 -0.4396 1.7611 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6548 0.5432 1.5482 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5243 1.6773 0.6440 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3247 1.2974 -0.6430 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7418 -0.5117 -1.5031 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5884 1.0390 -1.4144 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2359 -0.6165 -0.6255 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 6 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 2 0 13 15 1 0 15 16 1 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 2 0 22 24 1 0 11 5 1 0 15 10 1 0 1 25 1 0 1 26 1 0 1 27 1 0 2 28 1 0 2 29 1 0 3 30 1 0 3 31 1 0 4 32 1 0 4 33 1 0 5 34 1 0 8 35 1 0 8 36 1 0 9 37 1 0 9 38 1 0 10 39 1 1 11 40 1 1 12 41 1 0 12 42 1 0 15 43 1 6 16 44 1 0 16 45 1 0 17 46 1 0 18 47 1 0 19 48 1 0 19 49 1 0 20 50 1 0 20 51 1 0 21 52 1 0 21 53 1 0 24 54 1 0 M END