@MOLECULE methyl {2-chloro-6-ethoxy-4-[(e)-(3-methyl-5-oxo-1-phenyl-1,5-dihydro-4h-pyrazol-4-ylidene)methyl]phenoxy}acetate 51 53 0 0 0 SMALL GASTEIGER @ATOM 1 CL 2.9589 -3.0939 -0.1050 Cl 1 UNL1111111111 -0.0270 2 O 2.8347 1.7508 0.9791 O.3 1 UNL1111111111 -0.3075 3 O 4.1538 -0.5043 0.3995 O.3 1 UNL1111111111 -0.2462 4 O -4.3264 -0.7753 1.9723 O.2 1 UNL1111111111 -0.4398 5 O 6.4867 0.7468 -1.9170 O.3 1 UNL1111111111 -0.4304 6 O 6.7918 -0.2473 0.0804 O.2 1 UNL1111111111 -0.4400 7 N -4.4210 0.0890 -0.1976 N.am 1 UNL1111111111 -0.3528 8 N -3.5008 0.3764 -1.1962 N.2 1 UNL1111111111 -0.1751 9 C -2.3144 -0.3961 0.6295 C.2 1 UNL1111111111 -0.2076 10 C -2.2853 0.1208 -0.7567 C.2 1 UNL1111111111 0.1243 11 C 0.0792 -0.6893 1.1506 C.ar 1 UNL1111111111 0.0427 12 C -3.7773 -0.4267 0.9646 C.2 1 UNL1111111111 0.5481 13 C -1.3492 -0.7664 1.4718 C.2 1 UNL1111111111 -0.0022 14 C -5.8019 0.2144 -0.4790 C.ar 1 UNL1111111111 0.2266 15 C 0.7282 0.5444 1.2660 C.ar 1 UNL1111111111 -0.3058 16 C 2.0845 0.6329 0.9593 C.ar 1 UNL1111111111 0.2257 17 C 0.7584 -1.8337 0.7407 C.ar 1 UNL1111111111 -0.2308 18 C 2.7930 -0.5218 0.5508 C.ar 1 UNL1111111111 0.0375 19 C -1.0786 0.3221 -1.5792 C.3 1 UNL1111111111 -0.4301 20 C 2.1126 -1.7251 0.4347 C.ar 1 UNL1111111111 0.0288 21 C -6.7304 0.0611 0.5608 C.ar 1 UNL1111111111 -0.2236 22 C -6.2362 0.4995 -1.7834 C.ar 1 UNL1111111111 -0.2048 23 C 2.2083 2.9649 1.4282 C.3 1 UNL1111111111 -0.0234 24 C -8.0878 0.1908 0.2828 C.ar 1 UNL1111111111 -0.1038 25 C -7.5966 0.6270 -2.0374 C.ar 1 UNL1111111111 -0.1092 26 C -8.5257 0.4731 -1.0091 C.ar 1 UNL1111111111 -0.1898 27 C 4.5418 0.1183 -0.8307 C.3 1 UNL1111111111 -0.1486 28 C 3.3407 3.9752 1.3380 C.3 1 UNL1111111111 -0.4576 29 C 6.0496 0.1501 -0.7703 C.2 1 UNL1111111111 0.5799 30 C 7.8984 0.8605 -2.0582 C.3 1 UNL1111111111 -0.1625 31 H -1.5872 -1.1487 2.4775 H 1 UNL1111111111 0.1899 32 H 0.1679 1.4152 1.5958 H 1 UNL1111111111 0.1775 33 H 0.2404 -2.7895 0.6584 H 1 UNL1111111111 0.1860 34 H -1.3224 0.6680 -2.5980 H 1 UNL1111111111 0.1769 35 H -0.4065 1.0724 -1.1320 H 1 UNL1111111111 0.1701 36 H -0.5022 -0.6128 -1.6817 H 1 UNL1111111111 0.1741 37 H -6.4054 -0.1579 1.5784 H 1 UNL1111111111 0.1878 38 H -5.5109 0.6217 -2.5880 H 1 UNL1111111111 0.1804 39 H 1.8505 2.8235 2.4630 H 1 UNL1111111111 0.1332 40 H 1.3660 3.2090 0.7590 H 1 UNL1111111111 0.1271 41 H -8.8122 0.0699 1.0878 H 1 UNL1111111111 0.1516 42 H -7.9356 0.8476 -3.0485 H 1 UNL1111111111 0.1489 43 H -9.5879 0.5734 -1.2148 H 1 UNL1111111111 0.1501 44 H 4.1253 1.1433 -0.9007 H 1 UNL1111111111 0.1711 45 H 4.1850 -0.4887 -1.6854 H 1 UNL1111111111 0.1663 46 H 3.6735 4.1211 0.3021 H 1 UNL1111111111 0.1594 47 H 4.2189 3.6387 1.9099 H 1 UNL1111111111 0.1709 48 H 3.0355 4.9498 1.7364 H 1 UNL1111111111 0.1575 49 H 8.0097 1.3510 -3.0319 H 1 UNL1111111111 0.1450 50 H 8.3106 1.4754 -1.2509 H 1 UNL1111111111 0.1400 51 H 8.3594 -0.1332 -2.0565 H 1 UNL1111111111 0.1410 @BOND 1 1 20 1 2 2 16 1 3 2 23 1 4 3 18 1 5 3 27 1 6 4 12 2 7 5 29 1 8 5 30 1 9 6 29 2 10 7 8 1 11 7 12 am 12 7 14 1 13 8 10 2 14 9 10 1 15 9 12 1 16 9 13 2 17 10 19 1 18 11 13 1 19 11 15 ar 20 11 17 ar 21 13 31 1 22 14 21 ar 23 14 22 ar 24 15 16 ar 25 15 32 1 26 16 18 ar 27 17 20 ar 28 17 33 1 29 18 20 ar 30 19 34 1 31 19 35 1 32 19 36 1 33 21 24 ar 34 21 37 1 35 22 25 ar 36 22 38 1 37 23 28 1 38 23 39 1 39 23 40 1 40 24 26 ar 41 24 41 1 42 25 26 ar 43 25 42 1 44 26 43 1 45 27 29 1 46 27 44 1 47 27 45 1 48 28 46 1 49 28 47 1 50 28 48 1 51 30 49 1 52 30 50 1 53 30 51 1