@MOLECULE latanoprost 71 72 0 0 0 SMALL GASTEIGER @ATOM 1 O 2.3370 3.6402 1.5119 O.3 1 UNL1111111111 -0.5651 2 O 5.2686 1.4512 0.5461 O.3 1 UNL1111111111 -0.5574 3 O -0.7660 2.5523 -2.7760 O.3 1 UNL1111111111 -0.5741 4 O -0.2209 -2.9514 0.9121 O.3 1 UNL1111111111 -0.4469 5 O -1.1409 -2.3935 -1.0556 O.2 1 UNL1111111111 -0.5319 6 C 2.3732 1.8138 0.0153 C.3 1 UNL1111111111 -0.1461 7 C 3.1489 0.4821 0.0700 C.3 1 UNL1111111111 -0.1341 8 C 2.2710 2.2288 1.5035 C.3 1 UNL1111111111 0.1621 9 C 4.2096 0.7484 1.1663 C.3 1 UNL1111111111 0.1562 10 C 3.4899 1.6096 2.2225 C.3 1 UNL1111111111 -0.4174 11 C 1.0172 1.6846 -0.6664 C.3 1 UNL1111111111 -0.2682 12 C 3.7647 0.0698 -1.2677 C.3 1 UNL1111111111 -0.2771 13 C 0.3338 3.0501 -0.7714 C.3 1 UNL1111111111 -0.2997 14 C -1.0426 2.9529 -1.4423 C.3 1 UNL1111111111 0.1664 15 C 4.4531 -1.2508 -1.1260 C.2 1 UNL1111111111 -0.1518 16 C -1.9994 1.9717 -0.7522 C.3 1 UNL1111111111 -0.3335 17 C 3.8695 -2.4513 -1.1926 C.2 1 UNL1111111111 -0.1818 18 C -3.4585 2.2448 -1.1390 C.3 1 UNL1111111111 -0.2905 19 C 2.4181 -2.6915 -1.4459 C.3 1 UNL1111111111 -0.2725 20 C -4.3511 1.2602 -0.4468 C.ar 1 UNL1111111111 0.0187 21 C 1.9462 -3.9575 -0.7172 C.3 1 UNL1111111111 -0.2503 22 C 0.4552 -4.2119 -0.9525 C.3 1 UNL1111111111 -0.3566 23 C -4.6385 0.0326 -1.0477 C.ar 1 UNL1111111111 -0.1691 24 C -4.8894 1.5626 0.8050 C.ar 1 UNL1111111111 -0.1823 25 C -5.4804 -0.8752 -0.4106 C.ar 1 UNL1111111111 -0.1313 26 C -5.7284 0.6513 1.4420 C.ar 1 UNL1111111111 -0.1413 27 C -0.3872 -3.0894 -0.4211 C.2 1 UNL1111111111 0.6217 28 C -6.0295 -0.5654 0.8329 C.ar 1 UNL1111111111 -0.1691 29 C -1.0220 -1.9505 1.5684 C.3 1 UNL1111111111 0.1837 30 C -2.3436 -2.5981 1.9589 C.3 1 UNL1111111111 -0.4960 31 C -0.1638 -1.5469 2.7621 C.3 1 UNL1111111111 -0.4722 32 H 2.9894 2.5840 -0.5198 H 1 UNL1111111111 0.1768 33 H 2.4754 -0.3352 0.4250 H 1 UNL1111111111 0.1428 34 H 1.3117 1.9238 1.9659 H 1 UNL1111111111 0.1123 35 H 4.6425 -0.1823 1.5793 H 1 UNL1111111111 0.1161 36 H 4.1540 2.3995 2.6163 H 1 UNL1111111111 0.1567 37 H 3.1832 1.0032 3.0850 H 1 UNL1111111111 0.1460 38 H 1.1573 1.2725 -1.6885 H 1 UNL1111111111 0.1596 39 H 0.3767 0.9611 -0.1325 H 1 UNL1111111111 0.1336 40 H 2.9823 0.0359 -2.0524 H 1 UNL1111111111 0.1504 41 H 4.4851 0.8481 -1.6045 H 1 UNL1111111111 0.1677 42 H 0.2528 3.5333 0.2207 H 1 UNL1111111111 0.1517 43 H 0.9729 3.7324 -1.3742 H 1 UNL1111111111 0.1584 44 H 2.3635 3.9900 2.4190 H 1 UNL1111111111 0.3083 45 H 5.7815 1.9658 1.1982 H 1 UNL1111111111 0.3123 46 H -1.5024 3.9647 -1.5209 H 1 UNL1111111111 0.1113 47 H 5.5261 -1.1621 -0.9374 H 1 UNL1111111111 0.1459 48 H -1.8829 2.0325 0.3447 H 1 UNL1111111111 0.1537 49 H -1.7310 0.9257 -1.0126 H 1 UNL1111111111 0.1679 50 H 4.4598 -3.3609 -1.0713 H 1 UNL1111111111 0.1379 51 H -3.7432 3.2841 -0.8773 H 1 UNL1111111111 0.1489 52 H -3.5882 2.1849 -2.2400 H 1 UNL1111111111 0.1465 53 H -1.4979 2.0339 -3.1545 H 1 UNL1111111111 0.3150 54 H 2.2423 -2.7887 -2.5387 H 1 UNL1111111111 0.1531 55 H 1.8022 -1.8225 -1.1326 H 1 UNL1111111111 0.1562 56 H 2.5287 -4.8352 -1.0632 H 1 UNL1111111111 0.1415 57 H 2.1498 -3.8699 0.3694 H 1 UNL1111111111 0.1542 58 H 0.1451 -5.1623 -0.4701 H 1 UNL1111111111 0.1701 59 H 0.2515 -4.3338 -2.0382 H 1 UNL1111111111 0.1774 60 H -4.1994 -0.2191 -2.0122 H 1 UNL1111111111 0.1576 61 H -4.6560 2.5116 1.2824 H 1 UNL1111111111 0.1490 62 H -5.7108 -1.8264 -0.8869 H 1 UNL1111111111 0.1492 63 H -6.1543 0.8923 2.4133 H 1 UNL1111111111 0.1438 64 H -6.6928 -1.2712 1.3258 H 1 UNL1111111111 0.1473 65 H -1.1881 -1.0991 0.8678 H 1 UNL1111111111 0.1417 66 H -2.9060 -2.9072 1.0651 H 1 UNL1111111111 0.1653 67 H -2.9784 -1.9013 2.5160 H 1 UNL1111111111 0.1571 68 H -2.1918 -3.4906 2.5766 H 1 UNL1111111111 0.1561 69 H 0.8074 -1.1556 2.4312 H 1 UNL1111111111 0.1569 70 H -0.6565 -0.7752 3.3653 H 1 UNL1111111111 0.1538 71 H 0.0444 -2.4059 3.4143 H 1 UNL1111111111 0.1572 @BOND 1 1 8 1 2 1 44 1 3 2 9 1 4 2 45 1 5 3 14 1 6 3 53 1 7 4 27 1 8 4 29 1 9 5 27 2 10 6 7 1 11 6 8 1 12 6 11 1 13 6 32 1 14 7 9 1 15 7 12 1 16 7 33 1 17 8 10 1 18 8 34 1 19 9 10 1 20 9 35 1 21 10 36 1 22 10 37 1 23 11 13 1 24 11 38 1 25 11 39 1 26 12 15 1 27 12 40 1 28 12 41 1 29 13 14 1 30 13 42 1 31 13 43 1 32 14 16 1 33 14 46 1 34 15 17 2 35 15 47 1 36 16 18 1 37 16 48 1 38 16 49 1 39 17 19 1 40 17 50 1 41 18 20 1 42 18 51 1 43 18 52 1 44 19 21 1 45 19 54 1 46 19 55 1 47 20 23 ar 48 20 24 ar 49 21 22 1 50 21 56 1 51 21 57 1 52 22 27 1 53 22 58 1 54 22 59 1 55 23 25 ar 56 23 60 1 57 24 26 ar 58 24 61 1 59 25 28 ar 60 25 62 1 61 26 28 ar 62 26 63 1 63 28 64 1 64 29 30 1 65 29 31 1 66 29 65 1 67 30 66 1 68 30 67 1 69 30 68 1 70 31 69 1 71 31 70 1 72 31 71 1