@MOLECULE 2-(4-methoxyphenyl)-5-methyl-2,4-dihydro-3h-pyrazol-3-one 27 28 0 0 0 SMALL GASTEIGER @ATOM 1 O -1.8264 2.3460 0.2549 O.2 1 UNL1111111111 -0.4533 2 O 4.2357 0.1914 -0.0622 O.3 1 UNL1111111111 -0.3134 3 N -1.3034 0.1025 -0.0867 N.am 1 UNL1111111111 -0.3407 4 N -1.9963 -1.0948 -0.1598 N.2 1 UNL1111111111 -0.1757 5 C -3.5777 0.6123 0.1470 C.3 1 UNL1111111111 -0.4101 6 C -3.2818 -0.8598 -0.0472 C.2 1 UNL1111111111 0.1144 7 C -2.1730 1.2052 0.1337 C.2 1 UNL1111111111 0.5578 8 C 0.1140 0.0736 -0.0612 C.ar 1 UNL1111111111 0.1422 9 C 0.8210 1.2707 -0.2752 C.ar 1 UNL1111111111 -0.1393 10 C 0.7990 -1.1277 0.1571 C.ar 1 UNL1111111111 -0.1277 11 C -4.3188 -1.9040 -0.1043 C.3 1 UNL1111111111 -0.4350 12 C 2.2056 1.2600 -0.2612 C.ar 1 UNL1111111111 -0.2149 13 C 2.1910 -1.1432 0.1661 C.ar 1 UNL1111111111 -0.2657 14 C 2.8818 0.0490 -0.0414 C.ar 1 UNL1111111111 0.2216 15 C 5.0116 -0.9745 0.1732 C.3 1 UNL1111111111 -0.2036 16 H -4.2022 1.0390 -0.6594 H 1 UNL1111111111 0.2016 17 H -4.1008 0.8278 1.0966 H 1 UNL1111111111 0.2007 18 H 0.2882 2.2091 -0.4499 H 1 UNL1111111111 0.1899 19 H 0.2436 -2.0542 0.3140 H 1 UNL1111111111 0.1775 20 H -4.9137 -1.9367 0.8225 H 1 UNL1111111111 0.1688 21 H -3.8866 -2.9108 -0.2457 H 1 UNL1111111111 0.1794 22 H -5.0174 -1.7362 -0.9399 H 1 UNL1111111111 0.1693 23 H 2.7753 2.1739 -0.4193 H 1 UNL1111111111 0.1759 24 H 2.7130 -2.0792 0.3332 H 1 UNL1111111111 0.1626 25 H 4.8147 -1.3826 1.1693 H 1 UNL1111111111 0.1337 26 H 6.0374 -0.5859 0.1149 H 1 UNL1111111111 0.1507 27 H 4.8423 -1.7213 -0.6084 H 1 UNL1111111111 0.1333 @BOND 1 1 7 2 2 2 14 1 3 2 15 1 4 3 4 1 5 3 7 am 6 3 8 1 7 4 6 2 8 5 6 1 9 5 7 1 10 5 16 1 11 5 17 1 12 6 11 1 13 8 9 ar 14 8 10 ar 15 9 12 ar 16 9 18 1 17 10 13 ar 18 10 19 1 19 11 20 1 20 11 21 1 21 11 22 1 22 12 14 ar 23 12 23 1 24 13 14 ar 25 13 24 1 26 15 25 1 27 15 26 1 28 15 27 1