@MOLECULE (4r,6s)-6-{(e)-2-[5-(4-fluorophenyl)-3-isopropyl-1-(2-pyridinyl)-1h-pyrazol-4-yl]vinyl}-4-hydroxytetrahydro-2h-pyran-2-one 55 58 0 0 0 SMALL GASTEIGER @ATOM 1 F 0.5837 4.8663 0.2599 F 1 UNL1111111111 -0.1844 2 O 3.7645 -0.2991 -1.2042 O.3 1 UNL1111111111 -0.4149 3 O 5.4925 -1.3850 1.4996 O.3 1 UNL1111111111 -0.5661 4 O 5.4934 0.3911 -2.3179 O.2 1 UNL1111111111 -0.4684 5 N -2.6412 -0.7122 0.0224 N.ar 1 UNL1111111111 -0.1408 6 N -2.7583 -2.0804 0.0582 N.ar 1 UNL1111111111 -0.2730 7 N -3.6192 1.4105 -0.0653 N.ar 1 UNL1111111111 -0.4201 8 C 3.6099 -0.0417 1.2275 C.3 1 UNL1111111111 -0.3562 9 C 3.2085 -0.8522 -0.0066 C.3 1 UNL1111111111 0.1487 10 C 5.1339 -0.0255 1.3235 C.3 1 UNL1111111111 0.1768 11 C 5.7540 0.5389 0.0448 C.3 1 UNL1111111111 -0.4532 12 C -0.5517 -1.4980 0.2199 C.ar 1 UNL1111111111 -0.1804 13 C -1.5118 -2.5757 0.1795 C.ar 1 UNL1111111111 0.0989 14 C -1.1980 -4.0334 0.2258 C.3 1 UNL1111111111 -0.0505 15 C 1.7318 -0.7719 -0.2231 C.2 1 UNL1111111111 -0.1922 16 C -1.3026 -0.3227 0.1175 C.ar 1 UNL1111111111 0.1086 17 C 0.8756 -1.6263 0.3509 C.2 1 UNL1111111111 -0.1135 18 C 5.0256 0.1904 -1.2249 C.2 1 UNL1111111111 0.6197 19 C -0.8368 1.0543 0.1415 C.ar 1 UNL1111111111 -0.0349 20 C -2.4335 -4.8706 0.5687 C.3 1 UNL1111111111 -0.4452 21 C -0.6206 -4.4505 -1.1345 C.3 1 UNL1111111111 -0.4460 22 C -3.8146 0.0699 -0.0758 C.ar 1 UNL1111111111 0.3534 23 C -0.6252 1.7484 -1.0542 C.ar 1 UNL1111111111 -0.0700 24 C -0.5748 1.6561 1.3764 C.ar 1 UNL1111111111 -0.0789 25 C -5.0884 -0.5228 -0.1764 C.ar 1 UNL1111111111 -0.2428 26 C -0.1395 3.0524 -1.0241 C.ar 1 UNL1111111111 -0.2182 27 C -0.0876 2.9586 1.4269 C.ar 1 UNL1111111111 -0.2306 28 C 0.1175 3.6260 0.2205 C.ar 1 UNL1111111111 0.2139 29 C -6.1868 0.3237 -0.2711 C.ar 1 UNL1111111111 -0.0521 30 C -4.6973 2.2073 -0.1591 C.ar 1 UNL1111111111 0.0904 31 C -6.0003 1.7062 -0.2641 C.ar 1 UNL1111111111 -0.2661 32 H 3.2102 0.9886 1.1740 H 1 UNL1111111111 0.1673 33 H 3.1689 -0.5005 2.1357 H 1 UNL1111111111 0.1753 34 H 3.5956 -1.8989 0.0457 H 1 UNL1111111111 0.1585 35 H 5.4873 0.5330 2.2204 H 1 UNL1111111111 0.1200 36 H 6.8113 0.2090 -0.0552 H 1 UNL1111111111 0.1839 37 H 5.8107 1.6498 0.1049 H 1 UNL1111111111 0.1890 38 H -0.4207 -4.2019 1.0179 H 1 UNL1111111111 0.1458 39 H 1.4091 0.0417 -0.8760 H 1 UNL1111111111 0.1805 40 H 1.2192 -2.4668 0.9602 H 1 UNL1111111111 0.1548 41 H -3.2239 -4.7402 -0.1826 H 1 UNL1111111111 0.1612 42 H -2.8618 -4.5710 1.5324 H 1 UNL1111111111 0.1511 43 H -2.1921 -5.9362 0.6202 H 1 UNL1111111111 0.1416 44 H -1.3510 -4.2993 -1.9387 H 1 UNL1111111111 0.1549 45 H -0.3382 -5.5077 -1.1376 H 1 UNL1111111111 0.1456 46 H 0.2704 -3.8617 -1.3879 H 1 UNL1111111111 0.1568 47 H 6.4601 -1.5052 1.4867 H 1 UNL1111111111 0.3197 48 H -0.8472 1.2676 -2.0081 H 1 UNL1111111111 0.1667 49 H -0.7573 1.1035 2.2983 H 1 UNL1111111111 0.1610 50 H -5.1953 -1.6085 -0.1789 H 1 UNL1111111111 0.2019 51 H 0.0297 3.6036 -1.9469 H 1 UNL1111111111 0.1766 52 H 0.1182 3.4379 2.3806 H 1 UNL1111111111 0.1696 53 H -7.1910 -0.0949 -0.3509 H 1 UNL1111111111 0.1604 54 H -4.4842 3.2841 -0.1476 H 1 UNL1111111111 0.1772 55 H -6.8450 2.3837 -0.3388 H 1 UNL1111111111 0.1689 @BOND 1 1 28 1 2 2 9 1 3 2 18 1 4 3 10 1 5 3 47 1 6 4 18 2 7 5 6 ar 8 5 16 ar 9 5 22 1 10 6 13 ar 11 7 22 ar 12 7 30 ar 13 8 9 1 14 8 10 1 15 8 32 1 16 8 33 1 17 9 15 1 18 9 34 1 19 10 11 1 20 10 35 1 21 11 18 1 22 11 36 1 23 11 37 1 24 12 13 ar 25 12 16 ar 26 12 17 1 27 13 14 1 28 14 20 1 29 14 21 1 30 14 38 1 31 15 17 2 32 15 39 1 33 16 19 1 34 17 40 1 35 19 23 ar 36 19 24 ar 37 20 41 1 38 20 42 1 39 20 43 1 40 21 44 1 41 21 45 1 42 21 46 1 43 22 25 ar 44 23 26 ar 45 23 48 1 46 24 27 ar 47 24 49 1 48 25 29 ar 49 25 50 1 50 26 28 ar 51 26 51 1 52 27 28 ar 53 27 52 1 54 29 31 ar 55 29 53 1 56 30 31 ar 57 30 54 1 58 31 55 1