@MOLECULE (3z)-3-({4-[(3-methyl-2-pyridinyl)sulfamoyl]phenyl}hydrazono)-6-oxo-1,4-cyclohexadiene-1-carboxylic acid 45 47 0 0 0 SMALL GASTEIGER @ATOM 1 S 4.0549 1.7257 -0.5559 S.O2 1 UNL1111111111 2.3890 2 O 4.3639 2.9658 0.1240 O.2 1 UNL1111111111 -0.9106 3 O 4.4649 1.5082 -1.9137 O.2 1 UNL1111111111 -0.8618 4 O -7.6734 -0.4940 -1.1516 O.2 1 UNL1111111111 -0.3825 5 O -7.8921 -0.4633 1.5399 O.3 1 UNL1111111111 -0.4994 6 O -6.5322 1.1406 2.2927 O.2 1 UNL1111111111 -0.5111 7 N 4.9107 0.5865 0.4876 N.pl3 1 UNL1111111111 -0.8269 8 N -1.7147 0.5635 0.1937 N.pl3 1 UNL1111111111 -0.3332 9 N 3.8565 -1.2592 -0.4457 N.ar 1 UNL1111111111 -0.4942 10 N -2.3758 -0.1732 -0.6924 N.2 1 UNL1111111111 -0.0962 11 C 2.3586 1.3790 -0.3614 C.ar 1 UNL1111111111 -0.4333 12 C 1.6575 1.9308 0.7120 C.ar 1 UNL1111111111 0.0038 13 C 1.7056 0.5527 -1.2778 C.ar 1 UNL1111111111 0.0330 14 C 4.8300 -0.7927 0.3809 C.ar 1 UNL1111111111 0.4008 15 C -0.3421 0.8164 -0.0407 C.ar 1 UNL1111111111 0.2629 16 C 0.3068 1.6558 0.8833 C.ar 1 UNL1111111111 -0.2955 17 C 0.3529 0.2663 -1.1248 C.ar 1 UNL1111111111 -0.2503 18 C 5.6817 -1.6632 1.1204 C.ar 1 UNL1111111111 -0.1550 19 C 5.4831 -3.0288 0.9724 C.ar 1 UNL1111111111 -0.0525 20 C 6.7431 -1.1291 2.0136 C.3 1 UNL1111111111 -0.4320 21 C 4.4824 -3.5112 0.1240 C.ar 1 UNL1111111111 -0.3147 22 C -3.6629 -0.4150 -0.5752 C.2 1 UNL1111111111 -0.0427 23 C 3.6947 -2.5893 -0.5659 C.ar 1 UNL1111111111 0.1083 24 C -4.5632 0.0086 0.4904 C.2 1 UNL1111111111 -0.0518 25 C -5.8969 -0.1232 0.3633 C.2 1 UNL1111111111 -0.2274 26 C -4.2420 -1.2090 -1.6657 C.2 1 UNL1111111111 -0.0492 27 C -6.5080 -0.6481 -0.8854 C.2 1 UNL1111111111 0.4684 28 C -5.5701 -1.3295 -1.8014 C.2 1 UNL1111111111 -0.2761 29 C -6.7690 0.2834 1.4769 C.2 1 UNL1111111111 0.6466 30 H 5.6451 0.9651 1.0829 H 1 UNL1111111111 0.3325 31 H 2.1591 2.5936 1.4299 H 1 UNL1111111111 0.1751 32 H 2.2538 0.1103 -2.1233 H 1 UNL1111111111 0.1864 33 H -0.2321 2.0876 1.7217 H 1 UNL1111111111 0.1628 34 H -0.1574 -0.3816 -1.8368 H 1 UNL1111111111 0.1846 35 H 6.1109 -3.7346 1.5180 H 1 UNL1111111111 0.1557 36 H -2.1784 1.0044 0.9871 H 1 UNL1111111111 0.3030 37 H 6.3227 -0.5173 2.8269 H 1 UNL1111111111 0.1581 38 H 7.3244 -1.9284 2.4968 H 1 UNL1111111111 0.1592 39 H 7.4685 -0.5112 1.4612 H 1 UNL1111111111 0.1604 40 H 4.3243 -4.5766 0.0035 H 1 UNL1111111111 0.1678 41 H 2.8956 -2.9030 -1.2479 H 1 UNL1111111111 0.1660 42 H -4.1281 0.4173 1.4076 H 1 UNL1111111111 0.1652 43 H -3.5359 -1.6796 -2.3550 H 1 UNL1111111111 0.1708 44 H -6.0351 -1.9085 -2.5987 H 1 UNL1111111111 0.1842 45 H -8.5076 -0.1766 2.2642 H 1 UNL1111111111 0.3520 @BOND 1 1 2 2 2 1 3 2 3 1 7 1 4 1 11 1 5 4 27 2 6 5 29 1 7 5 45 1 8 6 29 2 9 7 14 1 10 7 30 1 11 8 10 1 12 8 15 1 13 8 36 1 14 9 14 ar 15 9 23 ar 16 10 22 2 17 11 12 ar 18 11 13 ar 19 12 16 ar 20 12 31 1 21 13 17 ar 22 13 32 1 23 14 18 ar 24 15 16 ar 25 15 17 ar 26 16 33 1 27 17 34 1 28 18 19 ar 29 18 20 1 30 19 21 ar 31 19 35 1 32 20 37 1 33 20 38 1 34 20 39 1 35 21 23 ar 36 21 40 1 37 22 24 1 38 22 26 1 39 23 41 1 40 24 25 2 41 24 42 1 42 25 27 1 43 25 29 1 44 26 28 2 45 26 43 1 46 27 28 1 47 28 44 1