HMDB0001244 RDKit 3D 15-Keto-13,14-dihydroprostaglandin A2 54 54 0 0 0 0 0 0 0 0999 V2000 -7.0142 1.4485 0.5349 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2596 0.5858 -0.4834 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8025 -0.6302 0.2661 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0387 -1.6236 -0.5294 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7716 -1.1441 -1.1518 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8211 -0.6589 -0.0866 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7610 0.5342 0.1561 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0241 -1.6771 0.5941 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8575 -1.0949 1.3124 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1733 -0.5513 0.3804 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.1769 0.4912 -0.5488 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3065 1.6833 -0.1656 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0392 1.5512 1.0728 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4421 2.4601 1.8633 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2457 0.0996 1.2646 C 0 0 2 0 0 0 0 0 0 0 0 0 2.5893 -0.3173 0.7198 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6976 0.1569 -0.6787 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5981 0.9877 -1.1349 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6745 1.5991 -0.3198 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0308 1.2825 -0.8497 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4369 -0.1330 -0.9288 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4938 -0.8896 0.3122 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5276 -1.5805 0.7010 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6282 -0.8684 1.1076 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.2587 2.4419 0.1521 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4004 1.5003 1.4699 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9356 0.8716 0.8333 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4544 1.1730 -0.9425 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9985 0.3490 -1.2748 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7462 -1.1555 0.6035 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2794 -0.3811 1.2066 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7567 -2.4524 0.1856 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6960 -2.1300 -1.2778 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9051 -0.3080 -1.8587 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2786 -1.9962 -1.6524 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6246 -2.2797 1.3250 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7028 -2.4454 -0.1657 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4176 -1.8954 1.9609 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2277 -0.2631 1.9900 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6260 -1.4424 -0.1381 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7453 0.3736 -1.4856 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1656 2.6022 -0.7090 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1207 -0.1979 2.3304 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5721 -1.4634 0.7280 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4011 -0.0060 1.3671 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9687 -0.2114 -1.4376 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5478 1.2528 -2.2181 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5300 1.3775 0.7296 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4957 2.7274 -0.4274 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1204 1.7401 -1.8836 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7730 1.8972 -0.2563 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7694 -0.6736 -1.6712 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4373 -0.1492 -1.4689 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5438 -0.5669 0.7978 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 2 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 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 5 35 1 0 8 36 1 0 8 37 1 0 9 38 1 0 9 39 1 0 10 40 1 6 11 41 1 0 12 42 1 0 15 43 1 1 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