@MOLECULE (3z)-5-[(1r,2r,3r,5s)-3,5-dihydroxy-2-(8-hydroxy-3-oxooctyl)cyclopentyl]-3-pentenoic acid 54 54 0 0 0 SMALL GASTEIGER @ATOM 1 O 1.5518 3.6709 0.1338 O.3 1 UNL1111111111 -0.5896 2 O 4.4475 2.6310 -0.5619 O.3 1 UNL1111111111 -0.5611 3 O -1.8361 -0.8936 0.4112 O.2 1 UNL1111111111 -0.4502 4 O 1.6725 -2.8781 0.9318 O.3 1 UNL1111111111 -0.5628 5 O -9.2233 -0.9334 -0.2101 O.3 1 UNL1111111111 -0.5508 6 O 3.5962 -3.9697 1.2085 O.2 1 UNL1111111111 -0.5074 7 C 1.7197 1.3614 -0.1613 C.3 1 UNL1111111111 -0.1565 8 C 3.0907 0.6568 -0.0847 C.3 1 UNL1111111111 -0.1705 9 C 1.7762 2.4939 0.8979 C.3 1 UNL1111111111 0.1541 10 C 4.0488 1.7488 0.4585 C.3 1 UNL1111111111 0.1671 11 C 3.1940 2.5048 1.4938 C.3 1 UNL1111111111 -0.4118 12 C 0.5439 0.4154 0.0741 C.3 1 UNL1111111111 -0.2606 13 C 3.5478 0.1090 -1.4403 C.3 1 UNL1111111111 -0.2888 14 C -0.7660 1.0858 -0.3528 C.3 1 UNL1111111111 -0.3888 15 C 4.6353 -0.8963 -1.2397 C.2 1 UNL1111111111 -0.1243 16 C -1.9563 0.2329 0.0013 C.2 1 UNL1111111111 0.4734 17 C -3.3086 0.8790 -0.1820 C.3 1 UNL1111111111 -0.3920 18 C 4.4438 -2.1971 -1.0011 C.2 1 UNL1111111111 -0.1782 19 C -4.4294 -0.1586 -0.0667 C.3 1 UNL1111111111 -0.2479 20 C 3.1083 -2.8602 -0.9132 C.3 1 UNL1111111111 -0.3433 21 C -5.8081 0.5114 -0.0982 C.3 1 UNL1111111111 -0.2752 22 C -6.9176 -0.5441 -0.0801 C.3 1 UNL1111111111 -0.2932 23 C 2.8830 -3.3153 0.4965 C.2 1 UNL1111111111 0.6517 24 C -8.2914 0.1331 -0.0883 C.3 1 UNL1111111111 0.0012 25 H 1.6079 1.8394 -1.1676 H 1 UNL1111111111 0.1642 26 H 3.0429 -0.1765 0.6556 H 1 UNL1111111111 0.1572 27 H 0.9839 2.4266 1.6665 H 1 UNL1111111111 0.1194 28 H 5.0065 1.3537 0.8418 H 1 UNL1111111111 0.1423 29 H 3.5734 3.5277 1.6483 H 1 UNL1111111111 0.1640 30 H 3.2265 2.0100 2.4759 H 1 UNL1111111111 0.1592 31 H 0.4890 0.0955 1.1332 H 1 UNL1111111111 0.1561 32 H 0.6829 -0.5330 -0.4855 H 1 UNL1111111111 0.1612 33 H 2.6859 -0.3282 -1.9841 H 1 UNL1111111111 0.1471 34 H 3.9057 0.9410 -2.0859 H 1 UNL1111111111 0.1655 35 H -0.8538 2.0895 0.1118 H 1 UNL1111111111 0.1702 36 H -0.7592 1.2742 -1.4464 H 1 UNL1111111111 0.1682 37 H 1.6234 4.4738 0.6820 H 1 UNL1111111111 0.3185 38 H 3.6765 3.1582 -0.8724 H 1 UNL1111111111 0.3321 39 H 5.6442 -0.4801 -1.2843 H 1 UNL1111111111 0.1522 40 H -3.3607 1.3946 -1.1607 H 1 UNL1111111111 0.1612 41 H -3.4381 1.6732 0.5812 H 1 UNL1111111111 0.1650 42 H 5.2862 -2.8727 -0.8411 H 1 UNL1111111111 0.1593 43 H -4.3077 -0.7425 0.8694 H 1 UNL1111111111 0.1579 44 H -4.3401 -0.9012 -0.8832 H 1 UNL1111111111 0.1483 45 H -5.9018 1.1442 -1.0017 H 1 UNL1111111111 0.1356 46 H -5.9165 1.1917 0.7667 H 1 UNL1111111111 0.1347 47 H 2.2796 -2.1943 -1.2473 H 1 UNL1111111111 0.1874 48 H 3.0652 -3.7416 -1.5940 H 1 UNL1111111111 0.1831 49 H -6.8345 -1.2235 -0.9512 H 1 UNL1111111111 0.1588 50 H -6.8281 -1.2010 0.8070 H 1 UNL1111111111 0.1555 51 H -8.4877 0.6809 0.8493 H 1 UNL1111111111 0.1078 52 H -8.4168 0.8090 -0.9522 H 1 UNL1111111111 0.1104 53 H 1.4428 -3.1670 1.8475 H 1 UNL1111111111 0.3552 54 H -10.1344 -0.6015 -0.1047 H 1 UNL1111111111 0.3081 @BOND 1 1 9 1 2 1 37 1 3 2 10 1 4 2 38 1 5 3 16 2 6 4 23 1 7 4 53 1 8 5 24 1 9 5 54 1 10 6 23 2 11 7 8 1 12 7 9 1 13 7 12 1 14 7 25 1 15 8 10 1 16 8 13 1 17 8 26 1 18 9 11 1 19 9 27 1 20 10 11 1 21 10 28 1 22 11 29 1 23 11 30 1 24 12 14 1 25 12 31 1 26 12 32 1 27 13 15 1 28 13 33 1 29 13 34 1 30 14 16 1 31 14 35 1 32 14 36 1 33 15 18 2 34 15 39 1 35 16 17 1 36 17 19 1 37 17 40 1 38 17 41 1 39 18 20 1 40 18 42 1 41 19 21 1 42 19 43 1 43 19 44 1 44 20 23 1 45 20 47 1 46 20 48 1 47 21 22 1 48 21 45 1 49 21 46 1 50 22 24 1 51 22 49 1 52 22 50 1 53 24 51 1 54 24 52 1