@MOLECULE (4z)-6-{(1r,2r,3r,5s)-3,5-dihydroxy-2-[(1e,3s,5z,8z)-3-hydroxy-1,5,8-undecatrien-1-yl]cyclopentyl}-4-hexenoic acid 61 61 0 0 0 SMALL GASTEIGER @ATOM 1 O -1.9868 2.0666 -0.9417 O.3 1 UNL1111111111 -0.5648 2 O 0.3600 3.9406 -0.8064 O.3 1 UNL1111111111 -0.5837 3 O 5.3163 1.7820 2.0502 O.3 1 UNL1111111111 -0.5585 4 O -6.5585 0.2275 2.1385 O.3 1 UNL1111111111 -0.5769 5 O -6.4126 0.0082 -0.0715 O.2 1 UNL1111111111 -0.5059 6 C -0.0388 0.6754 -0.4316 C.3 1 UNL1111111111 -0.1760 7 C 1.0018 1.7878 -0.1573 C.3 1 UNL1111111111 -0.1621 8 C -0.9813 1.2690 -1.5125 C.3 1 UNL1111111111 0.1737 9 C 0.9225 2.7634 -1.3652 C.3 1 UNL1111111111 0.1659 10 C -0.0564 2.1478 -2.3773 C.3 1 UNL1111111111 -0.4088 11 C -0.7840 0.2365 0.8331 C.3 1 UNL1111111111 -0.2838 12 C 2.3832 1.2388 -0.0290 C.2 1 UNL1111111111 -0.1714 13 C -1.2307 -1.1835 0.7001 C.2 1 UNL1111111111 -0.1617 14 C 3.1862 1.5491 0.9910 C.2 1 UNL1111111111 -0.2098 15 C 4.5836 1.0186 1.1134 C.3 1 UNL1111111111 0.1639 16 C -2.4654 -1.5910 0.3923 C.2 1 UNL1111111111 -0.1668 17 C 4.5976 -0.4642 1.5437 C.3 1 UNL1111111111 -0.3323 18 C -3.6344 -0.7008 0.1289 C.3 1 UNL1111111111 -0.2731 19 C -4.5557 -0.6921 1.3551 C.3 1 UNL1111111111 -0.3344 20 C 4.6462 -1.3577 0.3507 C.2 1 UNL1111111111 -0.1862 21 C 3.6780 -2.1991 -0.0250 C.2 1 UNL1111111111 -0.1383 22 C -5.8934 -0.1297 1.0034 C.2 1 UNL1111111111 0.6474 23 C 2.3685 -2.3526 0.6801 C.3 1 UNL1111111111 -0.2872 24 C 1.5685 -3.5016 0.1509 C.2 1 UNL1111111111 -0.1821 25 C 1.0280 -3.5733 -1.0693 C.2 1 UNL1111111111 -0.1509 26 C 1.1409 -2.5301 -2.1324 C.3 1 UNL1111111111 -0.2601 27 C -0.2398 -2.1936 -2.7011 C.3 1 UNL1111111111 -0.4388 28 H 0.4749 -0.2113 -0.8765 H 1 UNL1111111111 0.1521 29 H 0.7103 2.3603 0.7605 H 1 UNL1111111111 0.1751 30 H -1.5497 0.5020 -2.0703 H 1 UNL1111111111 0.1406 31 H 1.9091 3.0146 -1.7957 H 1 UNL1111111111 0.1217 32 H -0.6342 2.9143 -2.9185 H 1 UNL1111111111 0.1658 33 H 0.4681 1.5522 -3.1391 H 1 UNL1111111111 0.1553 34 H -0.1237 0.3379 1.7191 H 1 UNL1111111111 0.1444 35 H -1.6400 0.9184 1.0307 H 1 UNL1111111111 0.1714 36 H 2.6998 0.5672 -0.8272 H 1 UNL1111111111 0.1511 37 H -1.5872 2.8661 -0.5245 H 1 UNL1111111111 0.3389 38 H 0.2894 4.6513 -1.4673 H 1 UNL1111111111 0.3208 39 H -0.4369 -1.9161 0.8672 H 1 UNL1111111111 0.1451 40 H 2.8836 2.2285 1.7869 H 1 UNL1111111111 0.1594 41 H 5.1788 1.1838 0.1828 H 1 UNL1111111111 0.1540 42 H -2.6916 -2.6557 0.3191 H 1 UNL1111111111 0.1397 43 H 3.7341 -0.6833 2.1989 H 1 UNL1111111111 0.1507 44 H 5.4983 -0.6420 2.1740 H 1 UNL1111111111 0.1660 45 H -4.1886 -1.0480 -0.7704 H 1 UNL1111111111 0.1642 46 H -3.3208 0.3380 -0.1249 H 1 UNL1111111111 0.1827 47 H 4.9050 1.7622 2.9344 H 1 UNL1111111111 0.3126 48 H -4.6881 -1.7204 1.7588 H 1 UNL1111111111 0.1783 49 H -4.0921 -0.1153 2.1856 H 1 UNL1111111111 0.1835 50 H 5.5749 -1.2908 -0.2185 H 1 UNL1111111111 0.1467 51 H 3.8026 -2.8364 -0.9017 H 1 UNL1111111111 0.1493 52 H 2.5358 -2.4767 1.7731 H 1 UNL1111111111 0.1529 53 H 1.7854 -1.4038 0.5899 H 1 UNL1111111111 0.1692 54 H 1.4460 -4.3227 0.8574 H 1 UNL1111111111 0.1432 55 H -7.4557 0.6030 1.9714 H 1 UNL1111111111 0.3543 56 H 0.4493 -4.4494 -1.3678 H 1 UNL1111111111 0.1435 57 H 1.6323 -1.6105 -1.7544 H 1 UNL1111111111 0.1436 58 H 1.8057 -2.8998 -2.9421 H 1 UNL1111111111 0.1449 59 H -0.9323 -1.8858 -1.9045 H 1 UNL1111111111 0.1567 60 H -0.1837 -1.3795 -3.4306 H 1 UNL1111111111 0.1399 61 H -0.6894 -3.0572 -3.2034 H 1 UNL1111111111 0.1449 @BOND 1 1 8 1 2 1 37 1 3 2 9 1 4 2 38 1 5 3 15 1 6 3 47 1 7 4 22 1 8 4 55 1 9 5 22 2 10 6 7 1 11 6 8 1 12 6 11 1 13 6 28 1 14 7 9 1 15 7 12 1 16 7 29 1 17 8 10 1 18 8 30 1 19 9 10 1 20 9 31 1 21 10 32 1 22 10 33 1 23 11 13 1 24 11 34 1 25 11 35 1 26 12 14 2 27 12 36 1 28 13 16 2 29 13 39 1 30 14 15 1 31 14 40 1 32 15 17 1 33 15 41 1 34 16 18 1 35 16 42 1 36 17 20 1 37 17 43 1 38 17 44 1 39 18 19 1 40 18 45 1 41 18 46 1 42 19 22 1 43 19 48 1 44 19 49 1 45 20 21 2 46 20 50 1 47 21 23 1 48 21 51 1 49 23 24 1 50 23 52 1 51 23 53 1 52 24 25 2 53 24 54 1 54 25 26 1 55 25 56 1 56 26 27 1 57 26 57 1 58 26 58 1 59 27 59 1 60 27 60 1 61 27 61 1