@MOLECULE [(3s,6s)-6-{(2s,5r)-5-[6-(2,4,6-cyclooctatrien-1-yl)hexyl]tetrahydro-2-furanyl}-1,2-dioxan-3-yl]acetic acid 65 67 0 0 0 SMALL GASTEIGER @ATOM 1 O 2.2712 1.8926 0.2541 O.3 1 UNL1111111111 -0.4098 2 O 4.0457 -0.1435 -0.1300 O.3 1 UNL1111111111 -0.1165 3 O 4.8524 -1.0886 0.5590 O.3 1 UNL1111111111 -0.1671 4 O 6.3782 -4.5708 0.8444 O.3 1 UNL1111111111 -0.5600 5 O 6.4517 -3.8069 -1.2485 O.2 1 UNL1111111111 -0.5027 6 C 3.4821 2.0895 -0.4615 C.3 1 UNL1111111111 0.0910 7 C 1.6181 3.1328 0.5102 C.3 1 UNL1111111111 0.1245 8 C 3.8489 3.5791 -0.3566 C.3 1 UNL1111111111 -0.3103 9 C 2.5212 4.2671 -0.0091 C.3 1 UNL1111111111 -0.3194 10 C 4.5116 1.1617 0.2103 C.3 1 UNL1111111111 -0.0217 11 C 0.2565 3.0862 -0.1905 C.3 1 UNL1111111111 -0.3173 12 C 5.9243 1.3437 -0.3629 C.3 1 UNL1111111111 -0.3114 13 C 6.8274 0.2188 0.1542 C.3 1 UNL1111111111 -0.3095 14 C -0.5901 1.9415 0.3777 C.3 1 UNL1111111111 -0.2650 15 C 6.1267 -1.1263 -0.0841 C.3 1 UNL1111111111 0.0480 16 C -1.9321 1.8398 -0.3561 C.3 1 UNL1111111111 -0.2727 17 C -2.7681 0.6851 0.2105 C.3 1 UNL1111111111 -0.2674 18 C 6.8414 -2.2875 0.6164 C.3 1 UNL1111111111 -0.3839 19 C -4.1056 0.5700 -0.5319 C.3 1 UNL1111111111 -0.2711 20 C -4.9477 -0.5692 0.0549 C.3 1 UNL1111111111 -0.2822 21 C -6.2742 -0.7602 -0.7170 C.3 1 UNL1111111111 -0.0977 22 C 6.5342 -3.5792 -0.0712 C.2 1 UNL1111111111 0.6536 23 C -6.8838 -2.1213 -0.3299 C.3 1 UNL1111111111 -0.2923 24 C -7.1458 0.4339 -0.4679 C.2 1 UNL1111111111 -0.1412 25 C -8.2231 -2.3117 -0.9664 C.2 1 UNL1111111111 -0.1294 26 C -8.1478 0.6169 0.3983 C.2 1 UNL1111111111 -0.1769 27 C -9.3623 -2.0088 -0.3317 C.2 1 UNL1111111111 -0.1775 28 C -8.7515 -0.3106 1.3483 C.2 1 UNL1111111111 -0.1454 29 C -9.3619 -1.4576 1.0208 C.2 1 UNL1111111111 -0.1567 30 H 3.2781 1.7747 -1.5081 H 1 UNL1111111111 0.1387 31 H 1.5092 3.1556 1.6164 H 1 UNL1111111111 0.1292 32 H 4.6002 3.7600 0.4308 H 1 UNL1111111111 0.1459 33 H 4.2802 3.9614 -1.2940 H 1 UNL1111111111 0.1456 34 H 2.0855 4.7594 -0.8945 H 1 UNL1111111111 0.1474 35 H 2.6543 5.0575 0.7452 H 1 UNL1111111111 0.1446 36 H 4.4929 1.2758 1.3146 H 1 UNL1111111111 0.1524 37 H -0.2660 4.0514 -0.0699 H 1 UNL1111111111 0.1376 38 H 0.4022 2.9387 -1.2778 H 1 UNL1111111111 0.1500 39 H 5.8899 1.3259 -1.4694 H 1 UNL1111111111 0.1519 40 H 6.3373 2.3284 -0.0835 H 1 UNL1111111111 0.1416 41 H 7.0298 0.3598 1.2327 H 1 UNL1111111111 0.1493 42 H 7.8076 0.2450 -0.3537 H 1 UNL1111111111 0.1451 43 H -0.7555 2.0873 1.4606 H 1 UNL1111111111 0.1346 44 H -0.0295 0.9876 0.2845 H 1 UNL1111111111 0.1605 45 H 5.9819 -1.3166 -1.1727 H 1 UNL1111111111 0.1616 46 H -1.7605 1.6866 -1.4379 H 1 UNL1111111111 0.1361 47 H -2.4881 2.7910 -0.2668 H 1 UNL1111111111 0.1321 48 H -2.2050 -0.2641 0.1291 H 1 UNL1111111111 0.1411 49 H -2.9462 0.8408 1.2908 H 1 UNL1111111111 0.1364 50 H 7.9411 -2.1297 0.6213 H 1 UNL1111111111 0.1855 51 H 6.5433 -2.3301 1.6916 H 1 UNL1111111111 0.2006 52 H -4.6570 1.5262 -0.4633 H 1 UNL1111111111 0.1364 53 H -3.9272 0.3961 -1.6092 H 1 UNL1111111111 0.1365 54 H -4.3665 -1.5100 0.0328 H 1 UNL1111111111 0.1408 55 H -5.1665 -0.3711 1.1210 H 1 UNL1111111111 0.1442 56 H -6.0496 -0.8003 -1.8155 H 1 UNL1111111111 0.1405 57 H -6.9551 -2.1953 0.7756 H 1 UNL1111111111 0.1571 58 H -6.1941 -2.9346 -0.6355 H 1 UNL1111111111 0.1408 59 H -6.8544 1.2807 -1.1030 H 1 UNL1111111111 0.1371 60 H -8.2125 -2.7149 -1.9751 H 1 UNL1111111111 0.1396 61 H -8.6315 1.6042 0.4375 H 1 UNL1111111111 0.1470 62 H 6.1604 -5.4491 0.4456 H 1 UNL1111111111 0.3557 63 H -10.3412 -2.1621 -0.7820 H 1 UNL1111111111 0.1496 64 H -8.7409 0.0427 2.3832 H 1 UNL1111111111 0.1464 65 H -9.8843 -2.0596 1.7655 H 1 UNL1111111111 0.1480 @BOND 1 1 6 1 2 1 7 1 3 2 3 1 4 2 10 1 5 3 15 1 6 4 22 1 7 4 62 1 8 5 22 2 9 6 8 1 10 6 10 1 11 6 30 1 12 7 9 1 13 7 11 1 14 7 31 1 15 8 9 1 16 8 32 1 17 8 33 1 18 9 34 1 19 9 35 1 20 10 12 1 21 10 36 1 22 11 14 1 23 11 37 1 24 11 38 1 25 12 13 1 26 12 39 1 27 12 40 1 28 13 15 1 29 13 41 1 30 13 42 1 31 14 16 1 32 14 43 1 33 14 44 1 34 15 18 1 35 15 45 1 36 16 17 1 37 16 46 1 38 16 47 1 39 17 19 1 40 17 48 1 41 17 49 1 42 18 22 1 43 18 50 1 44 18 51 1 45 19 20 1 46 19 52 1 47 19 53 1 48 20 21 1 49 20 54 1 50 20 55 1 51 21 23 1 52 21 24 1 53 21 56 1 54 23 25 1 55 23 57 1 56 23 58 1 57 24 26 2 58 24 59 1 59 25 27 2 60 25 60 1 61 26 28 1 62 26 61 1 63 27 29 1 64 27 63 1 65 28 29 2 66 28 64 1 67 29 65 1