@MOLECULE (5z,9a,11a,13e,15s)-9,11-epoxy-15-hydroxythromboxa-5,13-dien-1-oic acid 57 58 0 0 0 SMALL GASTEIGER @ATOM 1 O -4.3889 -0.2073 0.4945 O.3 1 UNL111111111 -0.4483 2 O -3.2897 1.4718 -0.6511 O.3 1 UNL111111111 -0.4404 3 O 1.0600 4.5884 0.1773 O.3 1 UNL111111111 -0.5695 4 O 2.3783 -0.8435 -2.6367 O.3 1 UNL111111111 -0.5716 5 O 0.3028 -0.5308 -1.9003 O.2 1 UNL111111111 -0.5245 6 C -3.2631 -1.0814 0.1571 C.3 1 UNL111111111 0.1198 7 C -1.9932 -0.3249 0.5534 C.3 1 UNL111111111 -0.2039 8 C -3.5321 -0.8264 -1.3567 C.3 1 UNL111111111 -0.4247 9 C -4.2290 0.4491 -0.7875 C.3 1 UNL111111111 0.3399 10 C -2.2495 1.1943 0.3001 C.3 1 UNL111111111 0.1245 11 C -1.6216 -0.5466 2.0246 C.3 1 UNL111111111 -0.2842 12 C -1.0231 1.8287 -0.2818 C.2 1 UNL111111111 -0.1565 13 C -1.4145 -1.9934 2.3380 C.2 1 UNL111111111 -0.1536 14 C -0.1968 2.5736 0.4525 C.2 1 UNL111111111 -0.2434 15 C 1.0473 3.1940 -0.1120 C.3 1 UNL111111111 0.1650 16 C -0.4389 -2.7766 1.8696 C.2 1 UNL111111111 -0.1701 17 C 2.3130 2.6581 0.5764 C.3 1 UNL111111111 -0.2987 18 C 0.6369 -2.3686 0.9175 C.3 1 UNL111111111 -0.2777 19 C 2.5763 1.2071 0.1715 C.3 1 UNL111111111 -0.2711 20 C 3.8289 0.6682 0.8719 C.3 1 UNL111111111 -0.2687 21 C 0.3769 -3.0201 -0.4508 C.3 1 UNL111111111 -0.2462 22 C 4.1117 -0.7769 0.4414 C.3 1 UNL111111111 -0.2577 23 C 1.4546 -2.6451 -1.4694 C.3 1 UNL111111111 -0.3534 24 C 5.3940 -1.3005 1.0865 C.3 1 UNL111111111 -0.4404 25 C 1.2598 -1.2556 -1.9810 C.2 1 UNL111111111 0.6613 26 H -3.4078 -2.0720 0.5808 H 1 UNL111111111 0.1437 27 H -1.1514 -0.6727 -0.0975 H 1 UNL111111111 0.1797 28 H -4.1959 -1.5407 -1.8380 H 1 UNL111111111 0.1570 29 H -2.6642 -0.6542 -1.9944 H 1 UNL111111111 0.1736 30 H -5.1432 0.8806 -1.1820 H 1 UNL111111111 0.1484 31 H -2.6064 1.6924 1.2315 H 1 UNL111111111 0.1449 32 H -2.4210 -0.1264 2.6742 H 1 UNL111111111 0.1565 33 H -0.7047 0.0330 2.2675 H 1 UNL111111111 0.1559 34 H -0.8664 1.6198 -1.3421 H 1 UNL111111111 0.1742 35 H -2.1576 -2.4039 3.0256 H 1 UNL111111111 0.1434 36 H -0.3677 2.7873 1.5059 H 1 UNL111111111 0.1601 37 H 1.1147 3.0961 -1.2194 H 1 UNL111111111 0.1192 38 H -0.3815 -3.8230 2.1747 H 1 UNL111111111 0.1397 39 H 3.1701 3.3062 0.3059 H 1 UNL111111111 0.1551 40 H 2.2133 2.7516 1.6740 H 1 UNL111111111 0.1527 41 H 1.6261 -2.6814 1.3122 H 1 UNL111111111 0.1439 42 H 0.6963 -1.2656 0.8123 H 1 UNL111111111 0.1563 43 H 2.6966 1.1326 -0.9255 H 1 UNL111111111 0.1323 44 H 1.6978 0.5808 0.4230 H 1 UNL111111111 0.1403 45 H 3.7040 0.7191 1.9696 H 1 UNL111111111 0.1382 46 H 4.6997 1.3087 0.6372 H 1 UNL111111111 0.1397 47 H -0.6256 -2.7202 -0.8236 H 1 UNL111111111 0.1602 48 H 0.3357 -4.1214 -0.3391 H 1 UNL111111111 0.1449 49 H 0.1824 4.9809 0.0085 H 1 UNL111111111 0.3189 50 H 3.2599 -1.4247 0.7206 H 1 UNL111111111 0.1262 51 H 4.1926 -0.8333 -0.6622 H 1 UNL111111111 0.1411 52 H 1.4394 -3.3505 -2.3306 H 1 UNL111111111 0.1812 53 H 2.4725 -2.7582 -1.0333 H 1 UNL111111111 0.1848 54 H 6.2619 -0.6962 0.7988 H 1 UNL111111111 0.1438 55 H 5.3292 -1.2824 2.1802 H 1 UNL111111111 0.1430 56 H 5.5998 -2.3328 0.7845 H 1 UNL111111111 0.1372 57 H 2.3066 0.0652 -3.0193 H 1 UNL111111111 0.3579 @BOND 1 1 6 1 2 1 9 1 3 2 9 1 4 2 10 1 5 3 15 1 6 3 49 1 7 4 25 1 8 4 57 1 9 5 25 2 10 6 7 1 11 6 8 1 12 6 26 1 13 7 10 1 14 7 11 1 15 7 27 1 16 8 9 1 17 8 28 1 18 8 29 1 19 9 30 1 20 10 12 1 21 10 31 1 22 11 13 1 23 11 32 1 24 11 33 1 25 12 14 2 26 12 34 1 27 13 16 2 28 13 35 1 29 14 15 1 30 14 36 1 31 15 17 1 32 15 37 1 33 16 18 1 34 16 38 1 35 17 19 1 36 17 39 1 37 17 40 1 38 18 21 1 39 18 41 1 40 18 42 1 41 19 20 1 42 19 43 1 43 19 44 1 44 20 22 1 45 20 45 1 46 20 46 1 47 21 23 1 48 21 47 1 49 21 48 1 50 22 24 1 51 22 50 1 52 22 51 1 53 23 25 1 54 23 52 1 55 23 53 1 56 24 54 1 57 24 55 1 58 24 56 1