@MOLECULE (3z)-6-oxo-3-{[4-(2-pyridinylsulfamoyl)phenyl]hydrazono}-1,4-cyclohexadiene-1-carboxylic acid 42 44 0 0 0 SMALL GASTEIGER @ATOM 1 S 4.4213 1.5250 0.3799 S.O2 1 UNL111111111 2.3887 2 O 4.8951 1.2284 1.7011 O.2 1 UNL111111111 -0.8614 3 O 4.8004 2.7488 -0.2906 O.2 1 UNL111111111 -0.9074 4 O -7.0107 -1.8531 0.1940 O.2 1 UNL111111111 -0.3831 5 O -7.8019 0.5727 -0.7570 O.3 1 UNL111111111 -0.5006 6 O -6.2450 1.1634 -2.2467 O.2 1 UNL111111111 -0.5084 7 N 5.0911 0.3391 -0.7464 N.pl3 1 UNL111111111 -0.8279 8 N -1.4747 0.9345 0.0639 N.pl3 1 UNL111111111 -0.3340 9 N -2.1073 0.1022 0.8861 N.2 1 UNL111111111 -0.0982 10 N 3.9174 -1.4406 0.1975 N.ar 1 UNL111111111 -0.5010 11 C 2.6906 1.3406 0.3007 C.ar 1 UNL111111111 -0.4374 12 C 1.9635 1.9951 -0.6947 C.ar 1 UNL111111111 0.0037 13 C 2.0356 0.5393 1.2383 C.ar 1 UNL111111111 0.0325 14 C -0.0674 1.0329 0.1765 C.ar 1 UNL111111111 0.2635 15 C 0.5841 1.8473 -0.7682 C.ar 1 UNL111111111 -0.2954 16 C 0.6553 0.3801 1.1832 C.ar 1 UNL111111111 -0.2502 17 C 4.8663 -1.0252 -0.6871 C.ar 1 UNL111111111 0.4308 18 C -3.3998 -0.1179 0.7937 C.2 1 UNL111111111 -0.0390 19 C 5.5603 -1.9258 -1.5330 C.ar 1 UNL111111111 -0.3538 20 C -4.3457 0.4690 -0.1483 C.2 1 UNL111111111 -0.0545 21 C -5.5927 -0.0211 -0.2723 C.2 1 UNL111111111 -0.2249 22 C -3.9324 -1.0794 1.7674 C.2 1 UNL111111111 -0.0499 23 C -6.0374 -1.2107 0.4994 C.2 1 UNL111111111 0.4684 24 C -5.1700 -1.5776 1.6382 C.2 1 UNL111111111 -0.2752 25 C 5.2482 -3.2739 -1.4438 C.ar 1 UNL111111111 -0.0070 26 C 3.6388 -2.7542 0.2605 C.ar 1 UNL111111111 0.1290 27 C 4.2755 -3.7075 -0.5395 C.ar 1 UNL111111111 -0.3315 28 C -6.5315 0.6153 -1.2107 C.2 1 UNL111111111 0.6466 29 H 2.4678 2.6391 -1.4277 H 1 UNL111111111 0.1751 30 H 2.6031 0.0170 2.0236 H 1 UNL111111111 0.1867 31 H 0.0251 2.3576 -1.5471 H 1 UNL111111111 0.1632 32 H 0.1431 -0.2482 1.9116 H 1 UNL111111111 0.1851 33 H 5.8126 0.6639 -1.3880 H 1 UNL111111111 0.3329 34 H -1.9480 1.3869 -0.7171 H 1 UNL111111111 0.3026 35 H 6.3121 -1.5680 -2.2251 H 1 UNL111111111 0.1713 36 H -4.0234 1.3316 -0.7395 H 1 UNL111111111 0.1651 37 H -3.2658 -1.3658 2.5853 H 1 UNL111111111 0.1712 38 H -5.5989 -2.2922 2.3399 H 1 UNL111111111 0.1844 39 H 5.7621 -3.9978 -2.0785 H 1 UNL111111111 0.1533 40 H 2.8683 -3.0337 0.9899 H 1 UNL111111111 0.1652 41 H 4.0205 -4.7574 -0.4576 H 1 UNL111111111 0.1688 42 H -8.4546 0.9662 -1.3949 H 1 UNL111111111 0.3527 @BOND 1 1 2 2 2 1 3 2 3 1 7 1 4 1 11 1 5 4 23 2 6 5 28 1 7 5 42 1 8 6 28 2 9 7 17 1 10 7 33 1 11 8 9 1 12 8 14 1 13 8 34 1 14 9 18 2 15 10 17 ar 16 10 26 ar 17 11 12 ar 18 11 13 ar 19 12 15 ar 20 12 29 1 21 13 16 ar 22 13 30 1 23 14 15 ar 24 14 16 ar 25 15 31 1 26 16 32 1 27 17 19 ar 28 18 20 1 29 18 22 1 30 19 25 ar 31 19 35 1 32 20 21 2 33 20 36 1 34 21 23 1 35 21 28 1 36 22 24 2 37 22 37 1 38 23 24 1 39 24 38 1 40 25 27 ar 41 25 39 1 42 26 27 ar 43 26 40 1 44 27 41 1