@MOLECULE 2-isonicotinoyl-5-methyl-4-[(4-oxo-2,5-cyclohexadien-1-ylidene)methyl]-1,2-dihydro-3h-pyrazol-3-one 36 38 0 0 0 SMALL GASTEIGER @ATOM 1 O 0.8271 0.5729 0.9822 O.2 1 UNL1111111111 -0.4290 2 O 3.3997 -1.8637 -1.2430 O.2 1 UNL1111111111 -0.4442 3 O -5.7513 2.0004 -1.1567 O.2 1 UNL1111111111 -0.4387 4 N 1.5173 -1.3543 -0.0910 N.ar 1 UNL1111111111 -0.4752 5 N 0.8613 -2.5083 -0.5923 N.ar 1 UNL1111111111 -0.2853 6 N 4.2666 2.8402 0.3541 N.ar 1 UNL1111111111 -0.3508 7 C -0.6698 -1.3488 0.6497 C.ar 1 UNL1111111111 -0.3439 8 C -0.4114 -2.5370 0.0065 C.ar 1 UNL1111111111 0.2729 9 C 0.5340 -0.5209 0.5981 C.ar 1 UNL1111111111 0.6077 10 C -1.8885 -0.9167 1.2912 C.2 1 UNL1111111111 -0.0473 11 C -1.2897 -3.7002 -0.2028 C.3 1 UNL1111111111 -0.4698 12 C 2.7891 -1.0370 -0.6133 C.2 1 UNL1111111111 0.5932 13 C -2.7835 -0.0898 0.7117 C.2 1 UNL1111111111 -0.0504 14 C 3.2877 0.3167 -0.2625 C.ar 1 UNL1111111111 -0.0355 15 C -4.0032 0.2964 1.4223 C.2 1 UNL1111111111 -0.0875 16 C -2.6011 0.4452 -0.6371 C.2 1 UNL1111111111 -0.0694 17 C 4.0608 0.4971 0.8812 C.ar 1 UNL1111111111 -0.1977 18 C 3.0068 1.3911 -1.1029 C.ar 1 UNL1111111111 -0.1959 19 C -4.9707 1.0086 0.8272 C.2 1 UNL1111111111 -0.2676 20 C -3.5562 1.1602 -1.2487 C.2 1 UNL1111111111 -0.2767 21 C -4.8441 1.4426 -0.5818 C.2 1 UNL1111111111 0.4595 22 C 4.5298 1.7906 1.1528 C.ar 1 UNL1111111111 0.0627 23 C 3.5213 2.6468 -0.7491 C.ar 1 UNL1111111111 0.0629 24 H 1.4633 -3.3284 -0.6403 H 1 UNL1111111111 0.3268 25 H -2.0438 -1.3075 2.3028 H 1 UNL1111111111 0.1594 26 H -0.9943 -4.3235 -1.0626 H 1 UNL1111111111 0.1794 27 H -2.3346 -3.3864 -0.3869 H 1 UNL1111111111 0.1914 28 H -1.3127 -4.3551 0.6861 H 1 UNL1111111111 0.1834 29 H -4.0873 -0.0232 2.4627 H 1 UNL1111111111 0.1535 30 H -1.6440 0.2347 -1.1215 H 1 UNL1111111111 0.1619 31 H 4.2915 -0.3290 1.5483 H 1 UNL1111111111 0.1726 32 H 2.4039 1.2707 -1.9994 H 1 UNL1111111111 0.1741 33 H -5.8886 1.3076 1.3292 H 1 UNL1111111111 0.1751 34 H -3.4459 1.5688 -2.2513 H 1 UNL1111111111 0.1773 35 H 5.1369 2.0057 2.0403 H 1 UNL1111111111 0.1749 36 H 3.3330 3.5375 -1.3615 H 1 UNL1111111111 0.1759 @BOND 1 1 9 2 2 2 12 2 3 3 21 2 4 4 5 ar 5 4 9 ar 6 4 12 am 7 5 8 ar 8 5 24 1 9 6 22 ar 10 6 23 ar 11 7 8 ar 12 7 9 ar 13 7 10 1 14 8 11 1 15 10 13 2 16 10 25 1 17 11 26 1 18 11 27 1 19 11 28 1 20 12 14 1 21 13 15 1 22 13 16 1 23 14 17 ar 24 14 18 ar 25 15 19 2 26 15 29 1 27 16 20 2 28 16 30 1 29 17 22 ar 30 17 31 1 31 18 23 ar 32 18 32 1 33 19 21 1 34 19 33 1 35 20 21 1 36 20 34 1 37 22 35 1 38 23 36 1