@MOLECULE carboprost tromethamine 62 62 0 0 0 SMALL GASTEIGER @ATOM 1 O -2.1530 -1.4246 -1.7340 O.3 1 UNL1111111111 -0.5677 2 O 0.8047 -1.9485 -2.2966 O.3 1 UNL1111111111 -0.5845 3 O 3.1512 2.1408 1.5646 O.3 1 UNL1111111111 -0.5684 4 O -3.9777 -1.3617 2.0455 O.3 1 UNL1111111111 -0.5864 5 O -5.7305 -0.0764 2.5060 O.2 1 UNL1111111111 -0.5164 6 C -0.8854 0.1778 -0.3872 C.3 1 UNL1111111111 -0.1605 7 C 0.5375 -0.0480 -0.9550 C.3 1 UNL1111111111 -0.1675 8 C -1.5775 -1.2079 -0.4701 C.3 1 UNL1111111111 0.1654 9 C 0.7795 -1.5822 -0.9248 C.3 1 UNL1111111111 0.1634 10 C -0.4377 -2.2189 -0.2379 C.3 1 UNL1111111111 -0.4052 11 C -1.6460 1.2671 -1.1499 C.3 1 UNL1111111111 -0.2784 12 C 1.5633 0.6579 -0.1335 C.2 1 UNL1111111111 -0.1521 13 C 2.4396 1.5208 -0.6506 C.2 1 UNL1111111111 -0.2327 14 C -2.9476 1.5468 -0.4687 C.2 1 UNL1111111111 -0.1684 15 C 3.4795 2.2173 0.1855 C.3 1 UNL1111111111 0.3242 16 C 4.8496 1.5186 0.0827 C.3 1 UNL1111111111 -0.2968 17 C 3.5769 3.6981 -0.2100 C.3 1 UNL1111111111 -0.5117 18 C -4.1262 1.3424 -1.0638 C.2 1 UNL1111111111 -0.1547 19 C 4.7668 0.0527 0.5219 C.3 1 UNL1111111111 -0.2652 20 C 6.1469 -0.6112 0.4688 C.3 1 UNL1111111111 -0.2739 21 C -5.4319 1.5293 -0.3619 C.3 1 UNL1111111111 -0.2860 22 C 6.0491 -2.0882 0.8750 C.3 1 UNL1111111111 -0.2476 23 C -6.2285 0.2128 -0.3463 C.3 1 UNL1111111111 -0.2394 24 C -5.4135 -0.9440 0.2414 C.3 1 UNL1111111111 -0.3520 25 C 7.4179 -2.7652 0.8061 C.3 1 UNL1111111111 -0.4424 26 C -5.1213 -0.7085 1.6844 C.2 1 UNL1111111111 0.6607 27 H -0.8209 0.4674 0.6879 H 1 UNL1111111111 0.1466 28 H 0.5788 0.2833 -2.0235 H 1 UNL1111111111 0.1723 29 H -2.4337 -1.3141 0.2251 H 1 UNL1111111111 0.1526 30 H 1.7468 -1.8666 -0.4697 H 1 UNL1111111111 0.1216 31 H -0.2607 -2.3790 0.8368 H 1 UNL1111111111 0.1586 32 H -0.6923 -3.2022 -0.6640 H 1 UNL1111111111 0.1622 33 H -1.8021 0.9546 -2.2035 H 1 UNL1111111111 0.1556 34 H -1.0340 2.1914 -1.1981 H 1 UNL1111111111 0.1468 35 H 1.5583 0.4150 0.9313 H 1 UNL1111111111 0.1590 36 H -1.4459 -1.4738 -2.4181 H 1 UNL1111111111 0.3348 37 H 0.9701 -2.9027 -2.4052 H 1 UNL1111111111 0.3192 38 H 2.4752 1.7588 -1.7109 H 1 UNL1111111111 0.1557 39 H -2.8650 1.9052 0.5548 H 1 UNL1111111111 0.1426 40 H 5.5734 2.0583 0.7249 H 1 UNL1111111111 0.1529 41 H 5.2270 1.5911 -0.9526 H 1 UNL1111111111 0.1422 42 H 4.2099 4.2441 0.5005 H 1 UNL1111111111 0.1624 43 H 2.5937 4.1796 -0.2119 H 1 UNL1111111111 0.1521 44 H 4.0107 3.8231 -1.2065 H 1 UNL1111111111 0.1559 45 H -4.2015 0.9878 -2.0903 H 1 UNL1111111111 0.1504 46 H 4.0545 -0.4973 -0.1219 H 1 UNL1111111111 0.1395 47 H 4.3528 -0.0017 1.5489 H 1 UNL1111111111 0.1544 48 H 2.3119 2.6025 1.7480 H 1 UNL1111111111 0.3140 49 H 6.8499 -0.0814 1.1379 H 1 UNL1111111111 0.1362 50 H 6.5723 -0.5263 -0.5481 H 1 UNL1111111111 0.1347 51 H -5.2909 1.8893 0.6787 H 1 UNL1111111111 0.1544 52 H -6.0258 2.3199 -0.8643 H 1 UNL1111111111 0.1470 53 H 5.6381 -2.1700 1.8991 H 1 UNL1111111111 0.1341 54 H 5.3331 -2.6148 0.2166 H 1 UNL1111111111 0.1320 55 H -7.1611 0.3543 0.2368 H 1 UNL1111111111 0.1511 56 H -6.5416 -0.0483 -1.3759 H 1 UNL1111111111 0.1437 57 H -5.9564 -1.9066 0.1280 H 1 UNL1111111111 0.1762 58 H -4.4648 -1.0813 -0.3381 H 1 UNL1111111111 0.2071 59 H 8.1409 -2.2742 1.4672 H 1 UNL1111111111 0.1429 60 H 7.3579 -3.8164 1.1077 H 1 UNL1111111111 0.1387 61 H 7.8281 -2.7369 -0.2094 H 1 UNL1111111111 0.1416 62 H -3.7436 -1.2555 2.9970 H 1 UNL1111111111 0.3530 @BOND 1 1 8 1 2 1 36 1 3 2 9 1 4 2 37 1 5 3 15 1 6 3 48 1 7 4 26 1 8 4 62 1 9 5 26 2 10 6 7 1 11 6 8 1 12 6 11 1 13 6 27 1 14 7 9 1 15 7 12 1 16 7 28 1 17 8 10 1 18 8 29 1 19 9 10 1 20 9 30 1 21 10 31 1 22 10 32 1 23 11 14 1 24 11 33 1 25 11 34 1 26 12 13 2 27 12 35 1 28 13 15 1 29 13 38 1 30 14 18 2 31 14 39 1 32 15 16 1 33 15 17 1 34 16 19 1 35 16 40 1 36 16 41 1 37 17 42 1 38 17 43 1 39 17 44 1 40 18 21 1 41 18 45 1 42 19 20 1 43 19 46 1 44 19 47 1 45 20 22 1 46 20 49 1 47 20 50 1 48 21 23 1 49 21 51 1 50 21 52 1 51 22 25 1 52 22 53 1 53 22 54 1 54 23 24 1 55 23 55 1 56 23 56 1 57 24 26 1 58 24 57 1 59 24 58 1 60 25 59 1 61 25 60 1 62 25 61 1