@MOLECULE (5z,9alpha,11alpha,13e,15s)-11-hydroxy-15-methoxy-6,9-epoxyprosta-5,13-dien-1-oic acid 60 61 0 0 0 SMALL GASTEIGER @ATOM 1 O -2.5149 -1.6033 -1.3182 O.2 1 UNL1111111111 -0.1275 2 O -1.7599 2.1089 -1.0711 O.3 1 UNL1111111111 -0.5244 3 O 3.6959 3.0405 0.8828 O.3 1 UNL1111111111 -0.0632 4 O -2.4984 1.4109 1.4083 O.3 1 UNL1111111111 -0.4460 5 O -4.0983 1.1850 -0.1110 O.2 1 UNL1111111111 -0.3906 6 C -0.1917 -1.0490 -1.0643 C.3 1 UNL1111111111 -0.1298 7 C -1.3681 -1.1652 -2.0641 C.3 1 UNL1111111111 0.1174 8 C -0.0362 0.4540 -0.7473 C.3 1 UNL1111111111 0.1669 9 C -0.9005 1.2412 -1.7735 C.3 1 UNL1111111111 -0.0157 10 C -1.6742 0.2219 -2.6218 C.3 1 UNL1111111111 -0.7762 11 C -0.6775 -1.8686 0.1468 C.3 1 UNL1111111111 -0.6196 12 C -2.1648 -1.8685 -0.0176 C.2 1 UNL1111111111 0.0201 13 C 1.3925 0.8768 -0.8366 C.2 1 UNL1111111111 -0.4327 14 C -3.1302 -2.0364 0.8926 C.2 1 UNL1111111111 -0.3060 15 C 2.0234 1.4810 0.1718 C.2 1 UNL1111111111 -0.1620 16 C 3.4716 1.8678 0.1051 C.3 1 UNL1111111111 -0.2106 17 C -4.5662 -1.8089 0.5648 C.3 1 UNL1111111111 -0.3408 18 C 4.3472 0.8111 0.8059 C.3 1 UNL1111111111 -0.4160 19 C -5.2674 -0.9196 1.6087 C.3 1 UNL1111111111 -0.4369 20 C 4.3950 -0.4834 -0.0087 C.3 1 UNL1111111111 -0.3810 21 C 5.1974 -1.5595 0.7329 C.3 1 UNL1111111111 -0.3859 22 C -4.3958 0.2321 2.1254 C.3 1 UNL1111111111 -0.4689 23 C 3.1308 4.2074 0.3172 C.3 1 UNL1111111111 -0.7361 24 C 5.2082 -2.8705 -0.0646 C.3 1 UNL1111111111 -0.1242 25 C -3.7091 0.9572 1.0154 C.2 1 UNL1111111111 0.4317 26 C 6.0037 -3.9490 0.6708 C.3 1 UNL1111111111 -0.7974 27 H 0.7444 -1.4673 -1.4801 H 1 UNL1111111111 0.1534 28 H -1.2277 -1.9370 -2.8417 H 1 UNL1111111111 0.1326 29 H -0.4409 0.6648 0.2757 H 1 UNL1111111111 0.1589 30 H -0.2926 1.9425 -2.3857 H 1 UNL1111111111 0.1887 31 H -1.4056 0.2977 -3.6877 H 1 UNL1111111111 0.2475 32 H -2.7685 0.4174 -2.5785 H 1 UNL1111111111 0.3209 33 H -0.3566 -1.4332 1.1098 H 1 UNL1111111111 0.2589 34 H -0.2729 -2.8982 0.1291 H 1 UNL1111111111 0.2724 35 H 1.8851 0.6580 -1.7824 H 1 UNL1111111111 0.2239 36 H -2.7018 1.7824 -1.0336 H 1 UNL1111111111 0.3203 37 H -2.9056 -2.3251 1.9118 H 1 UNL1111111111 0.2600 38 H 1.5397 1.7198 1.1190 H 1 UNL1111111111 0.2168 39 H 3.8203 2.0524 -0.9347 H 1 UNL1111111111 0.2088 40 H -5.0988 -2.7784 0.4809 H 1 UNL1111111111 0.1956 41 H -4.6675 -1.3346 -0.4391 H 1 UNL1111111111 0.2165 42 H 3.9597 0.6219 1.8251 H 1 UNL1111111111 0.2477 43 H 5.3652 1.2226 0.9502 H 1 UNL1111111111 0.2058 44 H -6.1947 -0.5106 1.1582 H 1 UNL1111111111 0.1988 45 H -5.5874 -1.5378 2.4696 H 1 UNL1111111111 0.2275 46 H 3.3663 -0.8484 -0.1996 H 1 UNL1111111111 0.1972 47 H 4.8428 -0.2943 -1.0018 H 1 UNL1111111111 0.1815 48 H 6.2327 -1.2116 0.9056 H 1 UNL1111111111 0.1909 49 H 4.7652 -1.7318 1.7365 H 1 UNL1111111111 0.1980 50 H -3.6378 -0.1540 2.8452 H 1 UNL1111111111 0.2719 51 H -5.0137 0.9541 2.7029 H 1 UNL1111111111 0.2429 52 H 4.1719 -3.2174 -0.2368 H 1 UNL1111111111 0.1332 53 H 5.6424 -2.7001 -1.0677 H 1 UNL1111111111 0.1176 54 H 3.5968 4.4384 -0.6451 H 1 UNL1111111111 0.2103 55 H 2.0447 4.1114 0.2104 H 1 UNL1111111111 0.2504 56 H 3.3739 4.9819 1.0553 H 1 UNL1111111111 0.2660 57 H 7.0449 -3.6441 0.8250 H 1 UNL1111111111 0.2316 58 H 5.5738 -4.1622 1.6559 H 1 UNL1111111111 0.2449 59 H 6.0166 -4.8880 0.1070 H 1 UNL1111111111 0.2295 60 H -1.9793 1.8469 0.6505 H 1 UNL1111111111 0.3344 @BOND 1 1 7 1 2 1 12 1 3 2 9 1 4 2 36 1 5 3 16 1 6 3 23 1 7 4 25 1 8 4 60 1 9 5 25 2 10 6 7 1 11 6 8 1 12 6 11 1 13 6 27 1 14 7 10 1 15 7 28 1 16 8 9 1 17 8 13 1 18 8 29 1 19 9 10 1 20 9 30 1 21 10 31 1 22 10 32 1 23 11 12 1 24 11 33 1 25 11 34 1 26 12 14 2 27 13 15 2 28 13 35 1 29 14 17 1 30 14 37 1 31 15 16 1 32 15 38 1 33 16 18 1 34 16 39 1 35 17 19 1 36 17 40 1 37 17 41 1 38 18 20 1 39 18 42 1 40 18 43 1 41 19 22 1 42 19 44 1 43 19 45 1 44 20 21 1 45 20 46 1 46 20 47 1 47 21 24 1 48 21 48 1 49 21 49 1 50 22 25 1 51 22 50 1 52 22 51 1 53 23 54 1 54 23 55 1 55 23 56 1 56 24 26 1 57 24 52 1 58 24 53 1 59 26 57 1 60 26 58 1 61 26 59 1