@MOLECULE (5z)-5-[2-hydroxy-6-(4-nitrophenoxy)-4-oxo-2,5-cyclohexadien-1-ylidene]-n-(1-methyl-4-piperidinyl)-2,5-dihydro-1,2-oxazole-3-carboxamide 55 58 0 0 0 SMALL GASTEIGER @ATOM 1 O 2.0018 -2.1887 0.1144 O.2 1 UNL11111 -0.4661 2 O 0.2542 1.7698 1.5307 O.2 1 UNL11111 0.0002 3 O -2.3272 0.5961 -1.5774 O.3 1 UNL11111 -0.3272 4 O -1.3253 3.5229 2.0316 O.2 1 UNL11111 -0.4883 5 O -4.6397 4.6468 -1.1341 O.2 1 UNL11111 -0.4572 6 O -4.4838 -4.3336 1.5945 O.2 1 UNL11111 -0.4100 7 O -3.5188 -5.2974 -0.0688 O.2 1 UNL11111 -0.4075 8 N 7.1325 0.1923 -0.3434 N.3 1 UNL11111 -0.4029 9 N 3.5695 -0.5363 0.0324 N.am 1 UNL11111 -0.5834 10 N 1.4410 0.9764 1.4993 N.ar 1 UNL11111 -0.3216 11 N -3.8550 -4.2985 0.5479 N.pl3 1 UNL11111 0.6378 12 C 4.6927 -1.4427 -0.2672 C.3 1 UNL11111 0.1032 13 C 5.7163 -1.4123 0.8834 C.3 1 UNL11111 -0.3139 14 C 5.3740 -1.0199 -1.5819 C.3 1 UNL11111 -0.3165 15 C 6.4654 -0.0712 0.9547 C.3 1 UNL11111 -0.1123 16 C 6.1400 0.3063 -1.4393 C.3 1 UNL11111 -0.1127 17 C 7.9542 1.4191 -0.2611 C.3 1 UNL11111 -0.2857 18 C 2.2984 -1.0162 0.1897 C.2 1 UNL11111 0.5602 19 C 1.2659 0.0302 0.4616 C.ar 1 UNL11111 0.0552 20 C 0.1330 0.3046 -0.2373 C.ar 1 UNL11111 -0.2562 21 C -0.5189 1.4132 0.4404 C.ar 1 UNL11111 0.2789 22 C -1.6575 2.1161 0.1870 C.2 1 UNL11111 -0.3329 23 C -2.5689 1.7825 -0.8930 C.2 1 UNL11111 0.2781 24 C -2.0560 3.3120 0.9112 C.2 1 UNL11111 0.3997 25 C -3.5712 2.5631 -1.3260 C.2 1 UNL11111 -0.3453 26 C -3.0434 4.1488 0.5197 C.2 1 UNL11111 -0.5041 27 C -3.8209 3.8755 -0.6873 C.2 1 UNL11111 0.5189 28 C -2.7707 -0.5509 -0.9916 C.ar 1 UNL11111 0.3046 29 C -3.5041 -0.6025 0.1963 C.ar 1 UNL11111 -0.3018 30 C -2.4030 -1.7062 -1.7011 C.ar 1 UNL11111 -0.2713 31 C -3.8651 -1.8449 0.7000 C.ar 1 UNL11111 -0.0083 32 C -2.7633 -2.9406 -1.1879 C.ar 1 UNL11111 -0.0126 33 C -3.4886 -3.0037 0.0112 C.ar 1 UNL11111 -0.1564 34 H 4.2870 -2.4883 -0.3766 H 1 UNL11111 0.1693 35 H 6.4501 -2.2299 0.7243 H 1 UNL11111 0.1661 36 H 5.2231 -1.6227 1.8493 H 1 UNL11111 0.1494 37 H 4.6321 -0.9413 -2.3973 H 1 UNL11111 0.1508 38 H 6.0842 -1.8180 -1.8832 H 1 UNL11111 0.1665 39 H 7.2556 -0.1348 1.7365 H 1 UNL11111 0.1422 40 H 5.7780 0.7437 1.2637 H 1 UNL11111 0.1085 41 H 5.4346 1.1519 -1.3003 H 1 UNL11111 0.1080 42 H 6.6971 0.5084 -2.3825 H 1 UNL11111 0.1438 43 H 3.7823 0.4485 0.0935 H 1 UNL11111 0.3224 44 H 8.4769 1.5677 -1.2215 H 1 UNL11111 0.1508 45 H 8.7332 1.2763 0.5073 H 1 UNL11111 0.1504 46 H 7.3918 2.3341 -0.0236 H 1 UNL11111 0.1196 47 H -0.2215 -0.1649 -1.1405 H 1 UNL11111 0.2181 48 H 1.5832 0.6520 2.4532 H 1 UNL11111 0.3085 49 H -4.2391 2.2829 -2.1373 H 1 UNL11111 0.1985 50 H -3.3089 5.0509 1.0586 H 1 UNL11111 0.1911 51 H -1.5755 4.3637 2.4952 H 1 UNL11111 0.3479 52 H -3.7908 0.3090 0.7193 H 1 UNL11111 0.1882 53 H -1.8466 -1.6199 -2.6327 H 1 UNL11111 0.1841 54 H -4.4399 -1.9213 1.6309 H 1 UNL11111 0.1860 55 H -2.4827 -3.8648 -1.7073 H 1 UNL11111 0.1871 @BOND 1 1 18 2 2 2 10 ar 3 2 21 ar 4 3 23 1 5 3 28 1 6 4 24 1 7 4 51 1 8 5 27 2 9 6 11 2 10 7 11 2 11 8 15 1 12 8 16 1 13 8 17 1 14 9 12 1 15 9 18 am 16 9 43 1 17 10 19 ar 18 10 48 1 19 11 33 1 20 12 13 1 21 12 14 1 22 12 34 1 23 13 15 1 24 13 35 1 25 13 36 1 26 14 16 1 27 14 37 1 28 14 38 1 29 15 39 1 30 15 40 1 31 16 41 1 32 16 42 1 33 17 44 1 34 17 45 1 35 17 46 1 36 18 19 1 37 19 20 ar 38 20 21 ar 39 20 47 1 40 21 22 2 41 22 23 1 42 22 24 1 43 23 25 2 44 24 26 2 45 25 27 1 46 25 49 1 47 26 27 1 48 26 50 1 49 28 29 ar 50 28 30 ar 51 29 31 ar 52 29 52 1 53 30 32 ar 54 30 53 1 55 31 33 ar 56 31 54 1 57 32 33 ar 58 32 55 1