@MOLECULE (5z,9beta,11alpha,15s)-11,15-dihydroxy-6,9-epoxyprost-5-en-13-yn-1-oic acid 55 56 0 0 0 SMALL GASTEIGER @ATOM 1 O -1.7906 -1.7672 -0.6486 O.2 1 UNL1111111111 -0.3479 2 O 1.8603 -4.4749 -0.4250 O.3 1 UNL1111111111 -0.5606 3 O 5.9592 -0.8240 1.5893 O.3 1 UNL1111111111 -0.5425 4 O -7.8183 0.8880 1.4390 O.3 1 UNL1111111111 -0.5774 5 O -6.1357 2.3418 1.5290 O.2 1 UNL1111111111 -0.5084 6 C 0.4943 -1.3354 -0.4380 C.3 1 UNL1111111111 -0.1663 7 C -0.5442 -2.4741 -0.6603 C.3 1 UNL1111111111 0.0905 8 C 1.8042 -2.1240 -0.4330 C.3 1 UNL1111111111 -0.1134 9 C -0.1885 -3.4647 0.4327 C.3 1 UNL1111111111 -0.3721 10 C 1.3756 -3.4217 0.3710 C.3 1 UNL1111111111 0.1713 11 C -0.0355 -0.3139 -1.4418 C.3 1 UNL1111111111 -0.3144 12 C -1.5268 -0.5487 -1.2712 C.2 1 UNL1111111111 0.2049 13 C 2.8635 -1.4217 0.2194 C.1 1 UNL1111111111 -0.0774 14 C -2.5453 0.2490 -1.5982 C.2 1 UNL1111111111 -0.2991 15 C -3.9718 -0.1147 -1.3547 C.3 1 UNL1111111111 -0.2449 16 C 3.7459 -0.8023 0.7712 C.1 1 UNL1111111111 -0.1575 17 C 4.7917 -0.0426 1.4117 C.3 1 UNL1111111111 0.1912 18 C -4.5592 0.8004 -0.2695 C.3 1 UNL1111111111 -0.2488 19 C 5.1449 1.2119 0.5859 C.3 1 UNL1111111111 -0.3221 20 C 3.9635 2.1850 0.5513 C.3 1 UNL1111111111 -0.2696 21 C -6.0009 0.3989 0.0514 C.3 1 UNL1111111111 -0.3466 22 C 4.2849 3.3987 -0.3287 C.3 1 UNL1111111111 -0.2703 23 C 3.0800 4.3463 -0.4034 C.3 1 UNL1111111111 -0.2501 24 C -6.5863 1.3312 1.0600 C.2 1 UNL1111111111 0.6490 25 C 3.3925 5.5563 -1.2835 C.3 1 UNL1111111111 -0.4425 26 H 0.3634 -0.8881 0.5833 H 1 UNL1111111111 0.1654 27 H -0.4775 -2.9505 -1.6639 H 1 UNL1111111111 0.1422 28 H 2.1114 -2.4351 -1.4681 H 1 UNL1111111111 0.1915 29 H -0.5733 -4.4771 0.2401 H 1 UNL1111111111 0.1625 30 H -0.5708 -3.1632 1.4199 H 1 UNL1111111111 0.1648 31 H 1.8373 -3.4660 1.3732 H 1 UNL1111111111 0.1266 32 H 0.2571 0.7225 -1.2072 H 1 UNL1111111111 0.1662 33 H 0.2950 -0.5071 -2.4769 H 1 UNL1111111111 0.1649 34 H 1.7498 -5.3389 0.0159 H 1 UNL1111111111 0.3210 35 H -2.3757 1.2195 -2.0534 H 1 UNL1111111111 0.1625 36 H -4.0677 -1.1778 -1.0492 H 1 UNL1111111111 0.1527 37 H -4.5527 -0.0215 -2.2950 H 1 UNL1111111111 0.1410 38 H 4.5329 0.2249 2.4701 H 1 UNL1111111111 0.1601 39 H -4.5156 1.8590 -0.5940 H 1 UNL1111111111 0.1539 40 H -3.9336 0.7502 0.6445 H 1 UNL1111111111 0.1554 41 H 6.0370 1.6942 1.0299 H 1 UNL1111111111 0.1577 42 H 5.4383 0.9209 -0.4391 H 1 UNL1111111111 0.1471 43 H 3.7106 2.5163 1.5761 H 1 UNL1111111111 0.1391 44 H 3.0604 1.6708 0.1670 H 1 UNL1111111111 0.1440 45 H -6.0450 -0.6472 0.4279 H 1 UNL1111111111 0.1834 46 H -6.6277 0.4004 -0.8672 H 1 UNL1111111111 0.1804 47 H 5.1652 3.9364 0.0698 H 1 UNL1111111111 0.1381 48 H 4.5673 3.0682 -1.3456 H 1 UNL1111111111 0.1369 49 H 6.2146 -1.2714 0.7591 H 1 UNL1111111111 0.3166 50 H 2.1986 3.8081 -0.8007 H 1 UNL1111111111 0.1340 51 H 2.7980 4.6815 0.6127 H 1 UNL1111111111 0.1349 52 H 2.5359 6.2371 -1.3415 H 1 UNL1111111111 0.1418 53 H 4.2406 6.1284 -0.8907 H 1 UNL1111111111 0.1431 54 H 3.6440 5.2554 -2.3065 H 1 UNL1111111111 0.1423 55 H -8.2616 1.4653 2.1050 H 1 UNL1111111111 0.3547 @BOND 1 1 7 1 2 1 12 1 3 2 10 1 4 2 34 1 5 3 17 1 6 3 49 1 7 4 24 1 8 4 55 1 9 5 24 2 10 6 7 1 11 6 8 1 12 6 11 1 13 6 26 1 14 7 9 1 15 7 27 1 16 8 10 1 17 8 13 1 18 8 28 1 19 9 10 1 20 9 29 1 21 9 30 1 22 10 31 1 23 11 12 1 24 11 32 1 25 11 33 1 26 12 14 2 27 13 16 3 28 14 15 1 29 14 35 1 30 15 18 1 31 15 36 1 32 15 37 1 33 16 17 1 34 17 19 1 35 17 38 1 36 18 21 1 37 18 39 1 38 18 40 1 39 19 20 1 40 19 41 1 41 19 42 1 42 20 22 1 43 20 43 1 44 20 44 1 45 21 24 1 46 21 45 1 47 21 46 1 48 22 23 1 49 22 47 1 50 22 48 1 51 23 25 1 52 23 50 1 53 23 51 1 54 25 52 1 55 25 53 1 56 25 54 1