@MOLECULE (5e,9alpha)-9-hydroxy-11,15-dioxoprost-5-en-1-oic acid 57 57 0 0 0 SMALL GASTEIGER @ATOM 1 O -2.7006 -1.4885 -1.4314 O.3 1 UNL1111111111 -0.5623 2 O 1.0111 -2.9306 -0.1989 O.2 1 UNL1111111111 -0.4682 3 O 3.6349 1.1717 0.9285 O.2 1 UNL1111111111 -0.4655 4 O -4.9145 -0.7823 1.9266 O.3 1 UNL1111111111 -0.5935 5 O -6.1973 1.0243 2.1121 O.2 1 UNL1111111111 -0.5053 6 C -1.2022 -0.1010 -0.2112 C.3 1 UNL1111111111 -0.1252 7 C 0.1610 -0.7037 -0.6210 C.3 1 UNL1111111111 -0.2342 8 C -2.1745 -1.3080 -0.1314 C.3 1 UNL1111111111 0.1501 9 C -1.3060 -2.5135 0.2623 C.3 1 UNL1111111111 -0.4595 10 C 0.0933 -2.1570 -0.1823 C.2 1 UNL1111111111 0.4973 11 C 1.3308 0.0383 0.0226 C.3 1 UNL1111111111 -0.2422 12 C -1.6747 0.9786 -1.1899 C.3 1 UNL1111111111 -0.2774 13 C 2.6720 -0.4062 -0.5647 C.3 1 UNL1111111111 -0.3969 14 C -2.9087 1.6376 -0.6636 C.2 1 UNL1111111111 -0.1638 15 C 3.8160 0.2860 0.1320 C.2 1 UNL1111111111 0.4834 16 C 5.1964 -0.2054 -0.2259 C.3 1 UNL1111111111 -0.3891 17 C -4.0520 1.6739 -1.3529 C.2 1 UNL1111111111 -0.1620 18 C 6.2732 0.7290 0.3325 C.3 1 UNL1111111111 -0.2525 19 C -5.3157 2.2422 -0.7952 C.3 1 UNL1111111111 -0.2861 20 C 7.6752 0.2170 -0.0142 C.3 1 UNL1111111111 -0.2745 21 C -6.4207 1.1718 -0.7747 C.3 1 UNL1111111111 -0.2405 22 C 8.7479 1.1601 0.5471 C.3 1 UNL1111111111 -0.2500 23 C -5.9731 -0.1017 -0.0485 C.3 1 UNL1111111111 -0.3518 24 C 10.1501 0.6585 0.2022 C.3 1 UNL1111111111 -0.4410 25 C -5.7529 0.1617 1.4031 C.2 1 UNL1111111111 0.6584 26 H -1.1224 0.3424 0.8106 H 1 UNL1111111111 0.1497 27 H 0.2634 -0.6876 -1.7342 H 1 UNL1111111111 0.1756 28 H -3.0242 -1.1277 0.5583 H 1 UNL1111111111 0.1400 29 H -1.3300 -2.7046 1.3505 H 1 UNL1111111111 0.1830 30 H -1.6446 -3.4522 -0.2092 H 1 UNL1111111111 0.1785 31 H 1.2087 1.1337 -0.1135 H 1 UNL1111111111 0.1584 32 H 1.3346 -0.1127 1.1217 H 1 UNL1111111111 0.1552 33 H -0.8739 1.7332 -1.3362 H 1 UNL1111111111 0.1501 34 H -1.8501 0.5312 -2.1923 H 1 UNL1111111111 0.1651 35 H 2.7811 -1.5111 -0.4747 H 1 UNL1111111111 0.1927 36 H 2.7117 -0.1963 -1.6515 H 1 UNL1111111111 0.1653 37 H -3.1903 -2.3297 -1.4949 H 1 UNL1111111111 0.3136 38 H -2.8148 2.0689 0.3313 H 1 UNL1111111111 0.1445 39 H 5.3014 -0.3023 -1.3237 H 1 UNL1111111111 0.1617 40 H 5.3330 -1.2303 0.1785 H 1 UNL1111111111 0.1705 41 H -4.1371 1.2543 -2.3538 H 1 UNL1111111111 0.1480 42 H 6.1556 0.8243 1.4309 H 1 UNL1111111111 0.1541 43 H 6.1265 1.7533 -0.0614 H 1 UNL1111111111 0.1457 44 H -5.6459 3.1103 -1.4018 H 1 UNL1111111111 0.1495 45 H -5.1688 2.6432 0.2298 H 1 UNL1111111111 0.1571 46 H 7.7896 0.1270 -1.1101 H 1 UNL1111111111 0.1346 47 H 7.8211 -0.8016 0.3911 H 1 UNL1111111111 0.1366 48 H -6.7161 0.9166 -1.8110 H 1 UNL1111111111 0.1429 49 H -7.3260 1.5878 -0.2871 H 1 UNL1111111111 0.1534 50 H 8.6022 2.1810 0.1459 H 1 UNL1111111111 0.1352 51 H 8.6372 1.2483 1.6447 H 1 UNL1111111111 0.1367 52 H -6.7297 -0.9070 -0.1650 H 1 UNL1111111111 0.1750 53 H -5.0403 -0.5033 -0.5162 H 1 UNL1111111111 0.1986 54 H 10.3328 -0.3386 0.6179 H 1 UNL1111111111 0.1421 55 H 10.9203 1.3275 0.6020 H 1 UNL1111111111 0.1412 56 H 10.2989 0.5963 -0.8814 H 1 UNL1111111111 0.1411 57 H -4.7478 -0.6721 2.8927 H 1 UNL1111111111 0.3565 @BOND 1 1 8 1 2 1 37 1 3 2 10 2 4 3 15 2 5 4 25 1 6 4 57 1 7 5 25 2 8 6 7 1 9 6 8 1 10 6 12 1 11 6 26 1 12 7 10 1 13 7 11 1 14 7 27 1 15 8 9 1 16 8 28 1 17 9 10 1 18 9 29 1 19 9 30 1 20 11 13 1 21 11 31 1 22 11 32 1 23 12 14 1 24 12 33 1 25 12 34 1 26 13 15 1 27 13 35 1 28 13 36 1 29 14 17 2 30 14 38 1 31 15 16 1 32 16 18 1 33 16 39 1 34 16 40 1 35 17 19 1 36 17 41 1 37 18 20 1 38 18 42 1 39 18 43 1 40 19 21 1 41 19 44 1 42 19 45 1 43 20 22 1 44 20 46 1 45 20 47 1 46 21 23 1 47 21 48 1 48 21 49 1 49 22 24 1 50 22 50 1 51 22 51 1 52 23 25 1 53 23 52 1 54 23 53 1 55 24 54 1 56 24 55 1 57 24 56 1