@MOLECULE cobiprostone 62 63 0 0 0 SMALL GASTEIGER @ATOM 1 F 4.2048 -0.0619 1.5954 F 1 UNL1111111111 -0.2100 2 F 5.1254 1.2335 0.2345 F 1 UNL1111111111 -0.2088 3 O 2.5393 1.3133 0.1175 O.3 1 UNL1111111111 -0.4167 4 O 3.4525 0.4943 -1.8311 O.3 1 UNL1111111111 -0.5899 5 O -1.8184 3.1155 0.4357 O.2 1 UNL1111111111 -0.4356 6 O -10.7544 -0.9538 -0.4491 O.3 1 UNL1111111111 -0.5754 7 O -9.5389 -2.0253 1.0778 O.2 1 UNL1111111111 -0.5064 8 C 0.3376 0.3687 -0.1262 C.3 1 UNL1111111111 -0.1756 9 C 1.2554 1.5843 -0.4160 C.3 1 UNL1111111111 0.1156 10 C -1.0595 0.9556 -0.3807 C.3 1 UNL1111111111 -0.2335 11 C 0.8393 -0.7971 -0.9636 C.3 1 UNL1111111111 -0.2593 12 C 0.5612 2.7348 0.3124 C.3 1 UNL1111111111 -0.4241 13 C 3.1349 0.1981 -0.4980 C.3 1 UNL1111111111 0.4216 14 C 2.2873 -1.0810 -0.5252 C.3 1 UNL1111111111 -0.3242 15 C -0.9126 2.3802 0.1694 C.2 1 UNL1111111111 0.4756 16 C -2.1841 0.1735 0.2929 C.3 1 UNL1111111111 -0.2616 17 C 4.4941 0.0518 0.2923 C.3 1 UNL1111111111 0.3503 18 C -3.5439 0.5691 -0.2970 C.3 1 UNL1111111111 -0.2781 19 C 5.3577 -1.0950 -0.2290 C.3 1 UNL1111111111 -0.3651 20 C -4.6739 -0.2689 0.3109 C.3 1 UNL1111111111 -0.2698 21 C 6.8416 -1.0504 0.1899 C.3 1 UNL1111111111 -0.0539 22 C -6.0078 0.0609 -0.3721 C.3 1 UNL1111111111 -0.2705 23 C 7.5687 -2.2018 -0.5443 C.3 1 UNL1111111111 -0.2698 24 C 7.0094 -1.1888 1.7047 C.3 1 UNL1111111111 -0.4533 25 C -7.1426 -0.7677 0.2368 C.3 1 UNL1111111111 -0.2570 26 C 9.0873 -2.0543 -0.4826 C.3 1 UNL1111111111 -0.4382 27 C -8.4728 -0.4448 -0.4491 C.3 1 UNL1111111111 -0.3483 28 C -9.5750 -1.2368 0.1715 C.2 1 UNL1111111111 0.6471 29 H 0.4259 0.0945 0.9561 H 1 UNL1111111111 0.1649 30 H 1.3637 1.7886 -1.5028 H 1 UNL1111111111 0.1333 31 H -1.2569 1.0199 -1.4772 H 1 UNL1111111111 0.1671 32 H 0.2104 -1.6962 -0.8237 H 1 UNL1111111111 0.1440 33 H 0.8027 -0.5639 -2.0446 H 1 UNL1111111111 0.1523 34 H 0.8584 2.7835 1.3789 H 1 UNL1111111111 0.1979 35 H 0.7937 3.7302 -0.0982 H 1 UNL1111111111 0.1820 36 H 2.7494 -1.8176 -1.2127 H 1 UNL1111111111 0.1649 37 H 2.2897 -1.5425 0.4828 H 1 UNL1111111111 0.1636 38 H -2.0133 -0.9135 0.1572 H 1 UNL1111111111 0.1412 39 H -2.1804 0.3467 1.3869 H 1 UNL1111111111 0.1483 40 H -3.7279 1.6483 -0.1115 H 1 UNL1111111111 0.1618 41 H -3.5302 0.4477 -1.3966 H 1 UNL1111111111 0.1333 42 H 5.3002 -1.0903 -1.3400 H 1 UNL1111111111 0.1768 43 H 4.9181 -2.0626 0.0910 H 1 UNL1111111111 0.1645 44 H 3.7106 1.4367 -1.9446 H 1 UNL1111111111 0.3470 45 H -4.4501 -1.3466 0.2066 H 1 UNL1111111111 0.1355 46 H -4.7455 -0.0760 1.3971 H 1 UNL1111111111 0.1420 47 H 7.2931 -0.0836 -0.1391 H 1 UNL1111111111 0.1450 48 H -5.9321 -0.1299 -1.4595 H 1 UNL1111111111 0.1357 49 H -6.2245 1.1416 -0.2706 H 1 UNL1111111111 0.1422 50 H 7.2660 -3.1722 -0.1099 H 1 UNL1111111111 0.1358 51 H 7.2509 -2.2289 -1.6034 H 1 UNL1111111111 0.1336 52 H 6.7129 -0.2752 2.2342 H 1 UNL1111111111 0.1560 53 H 8.0559 -1.3761 1.9712 H 1 UNL1111111111 0.1448 54 H 6.4166 -2.0138 2.1103 H 1 UNL1111111111 0.1449 55 H -6.9206 -1.8502 0.1503 H 1 UNL1111111111 0.1510 56 H -7.2187 -0.5757 1.3266 H 1 UNL1111111111 0.1555 57 H 9.4117 -1.0799 -0.8663 H 1 UNL1111111111 0.1454 58 H 9.4636 -2.1430 0.5452 H 1 UNL1111111111 0.1446 59 H 9.5843 -2.8266 -1.0788 H 1 UNL1111111111 0.1399 60 H -8.4212 -0.6577 -1.5394 H 1 UNL1111111111 0.1806 61 H -8.7022 0.6419 -0.3820 H 1 UNL1111111111 0.1833 62 H -11.5273 -1.4442 -0.0787 H 1 UNL1111111111 0.3558 @BOND 1 1 17 1 2 2 17 1 3 3 9 1 4 3 13 1 5 4 13 1 6 4 44 1 7 5 15 2 8 6 28 1 9 6 62 1 10 7 28 2 11 8 9 1 12 8 10 1 13 8 11 1 14 8 29 1 15 9 12 1 16 9 30 1 17 10 15 1 18 10 16 1 19 10 31 1 20 11 14 1 21 11 32 1 22 11 33 1 23 12 15 1 24 12 34 1 25 12 35 1 26 13 14 1 27 13 17 1 28 14 36 1 29 14 37 1 30 16 18 1 31 16 38 1 32 16 39 1 33 17 19 1 34 18 20 1 35 18 40 1 36 18 41 1 37 19 21 1 38 19 42 1 39 19 43 1 40 20 22 1 41 20 45 1 42 20 46 1 43 21 23 1 44 21 24 1 45 21 47 1 46 22 25 1 47 22 48 1 48 22 49 1 49 23 26 1 50 23 50 1 51 23 51 1 52 24 52 1 53 24 53 1 54 24 54 1 55 25 27 1 56 25 55 1 57 25 56 1 58 26 57 1 59 26 58 1 60 26 59 1 61 27 28 1 62 27 60 1 63 27 61 1