@MOLECULE methyl (11alpha,13e,15s)-11,15-dihydroxy-15-methyl-7,9-dioxoprost-13-en-1-oate 64 64 0 0 0 SMALL GASTEIGER @ATOM 1 O -4.0734 -1.4183 1.7302 O.3 1 UNL1111111111 -0.5512 2 O -2.2789 -4.9750 -0.6612 O.2 1 UNL1111111111 -0.4282 3 O -0.0690 -3.4296 1.1592 O.2 1 UNL1111111111 -0.4244 4 O -1.6908 1.7699 -2.4435 O.3 1 UNL1111111111 -0.5646 5 O 7.2514 1.4195 -0.2227 O.3 1 UNL1111111111 -0.4251 6 O 6.3434 0.7172 1.7089 O.2 1 UNL1111111111 -0.4995 7 C -2.2825 -1.4778 0.2169 C.3 1 UNL1111111111 -0.1350 8 C -1.6051 -2.6720 -0.4918 C.3 1 UNL1111111111 -0.3608 9 C -3.7593 -1.8994 0.4421 C.3 1 UNL1111111111 0.1696 10 C -3.7868 -3.4372 0.4133 C.3 1 UNL1111111111 -0.4565 11 C -2.5206 -3.8671 -0.2762 C.2 1 UNL1111111111 0.5080 12 C -2.1361 -0.2431 -0.6079 C.2 1 UNL1111111111 -0.1582 13 C -0.2261 -2.8753 0.1044 C.2 1 UNL1111111111 0.4860 14 C -0.9541 1.8642 -1.2347 C.3 1 UNL1111111111 0.3206 15 C 0.9130 -2.2909 -0.6897 C.3 1 UNL1111111111 -0.3865 16 C -1.1520 0.6325 -0.3935 C.2 1 UNL1111111111 -0.2244 17 C -1.5177 3.1190 -0.5415 C.3 1 UNL1111111111 -0.2957 18 C 2.0179 -1.7908 0.2467 C.3 1 UNL1111111111 -0.2450 19 C -3.0068 2.9608 -0.2168 C.3 1 UNL1111111111 -0.2703 20 C 0.5340 2.0337 -1.5779 C.3 1 UNL1111111111 -0.5127 21 C 3.1321 -1.1112 -0.5577 C.3 1 UNL1111111111 -0.2705 22 C -3.5617 4.2347 0.4295 C.3 1 UNL1111111111 -0.2725 23 C 4.1927 -0.5288 0.3820 C.3 1 UNL1111111111 -0.2540 24 C -5.0436 4.0535 0.7854 C.3 1 UNL1111111111 -0.2490 25 C 5.2907 0.1754 -0.4201 C.3 1 UNL1111111111 -0.3565 26 C -5.6070 5.3161 1.4376 C.3 1 UNL1111111111 -0.4401 27 C 6.3067 0.7677 0.5082 C.2 1 UNL1111111111 0.6014 28 C 8.2977 2.0406 0.5159 C.3 1 UNL1111111111 -0.1664 29 H -1.8334 -1.3255 1.2384 H 1 UNL1111111111 0.1902 30 H -1.5346 -2.4950 -1.5925 H 1 UNL1111111111 0.1846 31 H -4.4548 -1.4446 -0.2905 H 1 UNL1111111111 0.1230 32 H -3.8000 -3.8470 1.4477 H 1 UNL1111111111 0.2024 33 H -4.6808 -3.8494 -0.0818 H 1 UNL1111111111 0.1766 34 H -2.8702 -0.1022 -1.4030 H 1 UNL1111111111 0.1620 35 H 1.3098 -3.0710 -1.3729 H 1 UNL1111111111 0.1749 36 H 0.5614 -1.4658 -1.3387 H 1 UNL1111111111 0.1597 37 H -0.4366 0.5229 0.4200 H 1 UNL1111111111 0.1580 38 H -0.9423 3.3260 0.3786 H 1 UNL1111111111 0.1449 39 H -1.3744 3.9911 -1.2099 H 1 UNL1111111111 0.1537 40 H -5.0094 -1.5856 1.9521 H 1 UNL1111111111 0.3181 41 H 2.4235 -2.6358 0.8395 H 1 UNL1111111111 0.1605 42 H 1.5972 -1.0884 0.9920 H 1 UNL1111111111 0.1454 43 H -3.5651 2.7254 -1.1448 H 1 UNL1111111111 0.1526 44 H -3.1617 2.0949 0.4557 H 1 UNL1111111111 0.1459 45 H 1.1284 2.2754 -0.6908 H 1 UNL1111111111 0.1607 46 H 0.9515 1.1258 -2.0234 H 1 UNL1111111111 0.1462 47 H 0.6697 2.8484 -2.3003 H 1 UNL1111111111 0.1640 48 H 2.7091 -0.3098 -1.1923 H 1 UNL1111111111 0.1327 49 H 3.5955 -1.8379 -1.2514 H 1 UNL1111111111 0.1388 50 H -2.9835 4.4844 1.3382 H 1 UNL1111111111 0.1356 51 H -3.4398 5.0938 -0.2558 H 1 UNL1111111111 0.1362 52 H 4.6342 -1.3273 1.0126 H 1 UNL1111111111 0.1574 53 H 3.7315 0.1802 1.0988 H 1 UNL1111111111 0.1546 54 H -1.3564 1.0445 -3.0018 H 1 UNL1111111111 0.3106 55 H -5.1648 3.1894 1.4661 H 1 UNL1111111111 0.1351 56 H -5.6225 3.8064 -0.1244 H 1 UNL1111111111 0.1333 57 H 5.7874 -0.5325 -1.1182 H 1 UNL1111111111 0.1783 58 H 4.8625 0.9699 -1.0678 H 1 UNL1111111111 0.1758 59 H -5.5249 6.1817 0.7711 H 1 UNL1111111111 0.1418 60 H -6.6659 5.1943 1.6901 H 1 UNL1111111111 0.1390 61 H -5.0741 5.5605 2.3631 H 1 UNL1111111111 0.1420 62 H 7.8860 2.8032 1.1856 H 1 UNL1111111111 0.1398 63 H 8.8528 1.2899 1.0889 H 1 UNL1111111111 0.1411 64 H 8.9209 2.4888 -0.2665 H 1 UNL1111111111 0.1460 @BOND 1 1 9 1 2 1 40 1 3 2 11 2 4 3 13 2 5 4 14 1 6 4 54 1 7 5 27 1 8 5 28 1 9 6 27 2 10 7 8 1 11 7 9 1 12 7 12 1 13 7 29 1 14 8 11 1 15 8 13 1 16 8 30 1 17 9 10 1 18 9 31 1 19 10 11 1 20 10 32 1 21 10 33 1 22 12 16 2 23 12 34 1 24 13 15 1 25 14 16 1 26 14 17 1 27 14 20 1 28 15 18 1 29 15 35 1 30 15 36 1 31 16 37 1 32 17 19 1 33 17 38 1 34 17 39 1 35 18 21 1 36 18 41 1 37 18 42 1 38 19 22 1 39 19 43 1 40 19 44 1 41 20 45 1 42 20 46 1 43 20 47 1 44 21 23 1 45 21 48 1 46 21 49 1 47 22 24 1 48 22 50 1 49 22 51 1 50 23 25 1 51 23 52 1 52 23 53 1 53 24 26 1 54 24 55 1 55 24 56 1 56 25 27 1 57 25 57 1 58 25 58 1 59 26 59 1 60 26 60 1 61 26 61 1 62 28 62 1 63 28 63 1 64 28 64 1