@MOLECULE dinoprostone 57 57 0 0 0 SMALL USER_CHARGES @ATOM 1 O -4.2106 -2.1432 0.2282 O.3 1 UNL11111111 -0.5610 2 O -3.6145 2.3504 -0.2215 O.2 1 UNL11111111 -0.4517 3 O 0.7140 -4.7526 -0.1784 O.3 1 UNL11111111 -0.5706 4 O 2.6655 0.6651 2.5820 O.3 1 UNL11111111 -0.5731 5 O 0.5399 0.5847 1.9345 O.2 1 UNL11111111 -0.5332 6 C -2.2379 -0.9609 -0.2413 C.3 1 UNL11111111 -0.1523 7 C -2.0017 0.5558 -0.4112 C.3 1 UNL11111111 -0.2246 8 C -3.4174 -1.1013 0.7594 C.3 1 UNL11111111 0.1698 9 C -4.1865 0.2288 0.7335 C.3 1 UNL11111111 -0.4639 10 C -3.3088 1.2103 -0.0078 C.2 1 UNL11111111 0.4891 11 C -1.5723 0.9084 -1.8379 C.3 1 UNL11111111 -0.2666 12 C -1.0184 -1.6542 0.2646 C.2 1 UNL11111111 -0.1500 13 C -0.4544 -2.6711 -0.3895 C.2 1 UNL11111111 -0.2313 14 C -1.3786 2.3823 -2.0045 C.2 1 UNL11111111 -0.1338 15 C 0.7844 -3.3579 0.0997 C.3 1 UNL11111111 0.1561 16 C 2.0284 -2.8824 -0.6696 C.3 1 UNL11111111 -0.2965 17 C 2.4022 -1.4550 -0.2662 C.3 1 UNL11111111 -0.2744 18 C -0.3415 3.0929 -1.5513 C.2 1 UNL11111111 -0.1772 19 C 3.6291 -0.9749 -1.0501 C.3 1 UNL11111111 -0.2674 20 C 0.8039 2.5534 -0.7583 C.3 1 UNL11111111 -0.2773 21 C 4.0178 0.4482 -0.6293 C.3 1 UNL11111111 -0.2587 22 C 0.7521 3.1503 0.6574 C.3 1 UNL11111111 -0.2473 23 C 1.8668 2.6036 1.5500 C.3 1 UNL11111111 -0.3540 24 C 5.2691 0.9170 -1.3704 C.3 1 UNL11111111 -0.4398 25 C 1.5634 1.2143 2.0032 C.2 1 UNL11111111 0.6657 26 H -2.5735 -1.4056 -1.2149 H 1 UNL11111111 0.1763 27 H -1.2109 0.9077 0.3066 H 1 UNL11111111 0.1954 28 H -3.0859 -1.3851 1.7773 H 1 UNL11111111 0.1230 29 H -5.1553 0.1172 0.2057 H 1 UNL11111111 0.1923 30 H -4.4343 0.6038 1.7399 H 1 UNL11111111 0.1752 31 H -0.6375 0.3589 -2.0845 H 1 UNL11111111 0.1562 32 H -2.3285 0.5390 -2.5620 H 1 UNL11111111 0.1478 33 H -0.6143 -1.2658 1.2022 H 1 UNL11111111 0.1661 34 H -0.8482 -3.0637 -1.3256 H 1 UNL11111111 0.1620 35 H -4.9420 -2.3720 0.8307 H 1 UNL11111111 0.3156 36 H -2.1928 2.8787 -2.5363 H 1 UNL11111111 0.1508 37 H 0.9257 -3.2622 1.2003 H 1 UNL11111111 0.1193 38 H 1.8453 -2.9509 -1.7584 H 1 UNL11111111 0.1537 39 H 2.8633 -3.5826 -0.4687 H 1 UNL11111111 0.1563 40 H 2.6048 -1.4050 0.8196 H 1 UNL11111111 0.1302 41 H 1.5451 -0.7752 -0.4456 H 1 UNL11111111 0.1442 42 H -0.2907 4.1682 -1.7296 H 1 UNL11111111 0.1418 43 H 3.4233 -1.0057 -2.1363 H 1 UNL11111111 0.1390 44 H 4.4789 -1.6631 -0.8839 H 1 UNL11111111 0.1394 45 H 0.7830 1.4459 -0.7063 H 1 UNL11111111 0.1522 46 H 1.7619 2.8122 -1.2545 H 1 UNL11111111 0.1426 47 H -0.1764 -5.0977 0.0198 H 1 UNL11111111 0.3176 48 H 3.1798 1.1410 -0.8327 H 1 UNL11111111 0.1284 49 H 4.1902 0.4851 0.4646 H 1 UNL11111111 0.1407 50 H 0.8252 4.2543 0.6008 H 1 UNL11111111 0.1466 51 H -0.2407 2.9423 1.1104 H 1 UNL11111111 0.1632 52 H 2.8489 2.6339 1.0263 H 1 UNL11111111 0.1856 53 H 2.0056 3.2549 2.4434 H 1 UNL11111111 0.1825 54 H 6.1259 0.2672 -1.1596 H 1 UNL11111111 0.1432 55 H 5.1161 0.9173 -2.4555 H 1 UNL11111111 0.1435 56 H 5.5495 1.9338 -1.0760 H 1 UNL11111111 0.1373 57 H 2.5274 -0.2522 2.9212 H 1 UNL11111111 0.3565 @BOND 1 32 11 1 2 36 14 1 3 55 24 1 4 43 19 1 5 31 11 1 6 14 11 1 7 14 18 2 8 11 7 1 9 38 16 1 10 42 18 1 11 18 20 1 12 24 54 1 13 24 56 1 14 24 21 1 15 34 13 1 16 46 20 1 17 26 6 1 18 19 44 1 19 19 21 1 20 19 17 1 21 48 21 1 22 20 45 1 23 20 22 1 24 16 39 1 25 16 17 1 26 16 15 1 27 21 49 1 28 41 17 1 29 7 6 1 30 7 10 1 31 7 27 1 32 13 15 1 33 13 12 2 34 17 40 1 35 6 12 1 36 6 8 1 37 2 10 2 38 3 47 1 39 3 15 1 40 10 9 1 41 15 37 1 42 29 9 1 43 1 8 1 44 1 35 1 45 12 33 1 46 50 22 1 47 22 51 1 48 22 23 1 49 9 8 1 50 9 30 1 51 8 28 1 52 52 23 1 53 23 25 1 54 23 53 1 55 5 25 2 56 25 4 1 57 4 57 1