@MOLECULE 15-oxo-prostaglandin f2alpha 57 57 0 0 0 SMALL GASTEIGER @ATOM 1 O 4.1222 -0.7088 -1.4084 O.3 1 UNL1111111111 -0.5598 2 O 4.0796 2.1923 -0.2384 O.3 1 UNL1111111111 -0.5865 3 O -1.7634 2.5372 1.3426 O.2 1 UNL1111111111 -0.5410 4 O -1.9393 -0.0093 2.1864 O.3 1 UNL1111111111 -0.5870 5 O 0.2422 -0.3846 2.4494 O.2 1 UNL1111111111 -0.5581 6 C 1.9020 -0.3874 -0.4424 C.3 1 UNL1111111111 -0.1624 7 C 1.9896 1.1532 -0.2842 C.3 1 UNL1111111111 -0.1952 8 C 3.3593 -0.8708 -0.2393 C.3 1 UNL1111111111 0.1709 9 C 3.2385 1.4126 0.5988 C.3 1 UNL1111111111 0.1696 10 C 3.8941 0.0487 0.8758 C.3 1 UNL1111111111 -0.4066 11 C 1.3011 -0.8039 -1.7844 C.3 1 UNL1111111111 -0.2791 12 C 0.7286 1.6654 0.3191 C.2 1 UNL1111111111 0.0129 13 C 1.1501 -2.2901 -1.8653 C.2 1 UNL1111111111 -0.1448 14 C -0.2846 2.1077 -0.4403 C.2 1 UNL1111111111 -0.3807 15 C 0.2452 -3.0235 -1.2103 C.2 1 UNL1111111111 -0.1806 16 C -1.5594 2.5369 0.1430 C.2 1 UNL1111111111 0.5361 17 C -0.7760 -2.4931 -0.2580 C.3 1 UNL1111111111 -0.2818 18 C -2.6462 2.9823 -0.8048 C.3 1 UNL1111111111 -0.3831 19 C -3.0691 1.8050 -1.6937 C.3 1 UNL1111111111 -0.2530 20 C -0.4399 -2.9700 1.1652 C.3 1 UNL1111111111 -0.2462 21 C -3.6608 0.6579 -0.8638 C.3 1 UNL1111111111 -0.2794 22 C -1.2927 -2.2568 2.2183 C.3 1 UNL1111111111 -0.3515 23 C -3.7765 -0.6208 -1.7024 C.3 1 UNL1111111111 -0.2513 24 C -4.4191 -1.7426 -0.8863 C.3 1 UNL1111111111 -0.4396 25 C -0.8748 -0.8194 2.3062 C.2 1 UNL1111111111 0.6710 26 H 1.2830 -0.8127 0.3874 H 1 UNL1111111111 0.1712 27 H 2.1765 1.6277 -1.2834 H 1 UNL1111111111 0.1809 28 H 3.4392 -1.9530 -0.0296 H 1 UNL1111111111 0.1406 29 H 3.0218 1.9904 1.5169 H 1 UNL1111111111 0.1258 30 H 3.6146 -0.3349 1.8712 H 1 UNL1111111111 0.1665 31 H 4.9937 0.1020 0.8535 H 1 UNL1111111111 0.1641 32 H 0.3200 -0.3038 -1.9272 H 1 UNL1111111111 0.1470 33 H 1.9476 -0.4423 -2.6133 H 1 UNL1111111111 0.1568 34 H 0.6587 1.6250 1.4146 H 1 UNL1111111111 0.1813 35 H 4.2502 0.2489 -1.5963 H 1 UNL1111111111 0.3319 36 H 4.9040 2.4387 0.2170 H 1 UNL1111111111 0.3215 37 H 1.8747 -2.7697 -2.5264 H 1 UNL1111111111 0.1482 38 H -0.2100 2.1642 -1.5245 H 1 UNL1111111111 0.1717 39 H 0.2147 -4.1069 -1.3362 H 1 UNL1111111111 0.1401 40 H -1.7881 -2.8395 -0.5513 H 1 UNL1111111111 0.1482 41 H -0.8328 -1.3862 -0.2923 H 1 UNL1111111111 0.1525 42 H -2.2957 3.8326 -1.4203 H 1 UNL1111111111 0.1640 43 H -3.5178 3.3628 -0.2322 H 1 UNL1111111111 0.1736 44 H -2.2057 1.4414 -2.2842 H 1 UNL1111111111 0.1406 45 H -3.8126 2.1507 -2.4374 H 1 UNL1111111111 0.1406 46 H 0.6375 -2.8002 1.3754 H 1 UNL1111111111 0.1590 47 H -0.5893 -4.0639 1.2387 H 1 UNL1111111111 0.1422 48 H -4.6515 0.9473 -0.4666 H 1 UNL1111111111 0.1435 49 H -3.0389 0.4578 0.0323 H 1 UNL1111111111 0.1542 50 H -2.3741 -2.3428 1.9786 H 1 UNL1111111111 0.1786 51 H -1.1647 -2.7339 3.2132 H 1 UNL1111111111 0.1746 52 H -2.7751 -0.9358 -2.0535 H 1 UNL1111111111 0.1330 53 H -4.3713 -0.4280 -2.6145 H 1 UNL1111111111 0.1331 54 H -5.4496 -1.4938 -0.6083 H 1 UNL1111111111 0.1443 55 H -4.4470 -2.6806 -1.4504 H 1 UNL1111111111 0.1378 56 H -3.8688 -1.9269 0.0440 H 1 UNL1111111111 0.1449 57 H -1.7359 0.9731 2.1291 H 1 UNL1111111111 0.3950 @BOND 1 1 8 1 2 1 35 1 3 2 9 1 4 2 36 1 5 3 16 2 6 4 25 1 7 4 57 1 8 5 25 2 9 6 7 1 10 6 8 1 11 6 11 1 12 6 26 1 13 7 9 1 14 7 12 1 15 7 27 1 16 8 10 1 17 8 28 1 18 9 10 1 19 9 29 1 20 10 30 1 21 10 31 1 22 11 13 1 23 11 32 1 24 11 33 1 25 12 14 2 26 12 34 1 27 13 15 2 28 13 37 1 29 14 16 1 30 14 38 1 31 15 17 1 32 15 39 1 33 16 18 1 34 17 20 1 35 17 40 1 36 17 41 1 37 18 19 1 38 18 42 1 39 18 43 1 40 19 21 1 41 19 44 1 42 19 45 1 43 20 22 1 44 20 46 1 45 20 47 1 46 21 23 1 47 21 48 1 48 21 49 1 49 22 25 1 50 22 50 1 51 22 51 1 52 23 24 1 53 23 52 1 54 23 53 1 55 24 54 1 56 24 55 1 57 24 56 1