@MOLECULE 2-{2-[(z)-[(2z)-(6-oxo-3-sulfo-2,4-cyclohexadien-1-ylidene)hydrazono](phenyl)methyl]hydrazino}benzoic acid 47 49 0 0 0 SMALL GASTEIGER @ATOM 1 S 6.2954 -0.8850 0.0772 S.O2 1 UNL1111111111 2.4131 2 O 6.7934 -0.4254 -1.4335 O.3 1 UNL1111111111 -0.8374 3 O 5.9707 -2.2824 0.0290 O.2 1 UNL1111111111 -0.8806 4 O 7.3064 -0.3856 0.9731 O.2 1 UNL1111111111 -0.9116 5 O 1.4972 2.3545 0.6664 O.2 1 UNL1111111111 -0.3948 6 O -6.4480 -0.1152 1.5872 O.3 1 UNL1111111111 -0.5466 7 O -4.4991 0.7940 2.1281 O.2 1 UNL1111111111 -0.5457 8 N -2.2507 -0.5981 1.4046 N.pl3 1 UNL1111111111 -0.3353 9 N -0.9747 -0.2849 0.9127 N.pl3 1 UNL1111111111 -0.3705 10 N 0.2610 0.5328 -0.9652 N.2 1 UNL1111111111 -0.2622 11 N 1.3760 -0.1486 -0.7508 N.2 1 UNL1111111111 -0.0923 12 C -3.1408 -1.3329 0.5858 C.ar 1 UNL1111111111 0.2353 13 C -0.8670 0.3923 -0.3436 C.2 1 UNL1111111111 0.3041 14 C -2.0554 1.0932 -0.8743 C.ar 1 UNL1111111111 -0.0712 15 C 4.8309 0.0622 0.1868 C.2 1 UNL1111111111 -0.4155 16 C -4.5363 -1.1613 0.7209 C.ar 1 UNL1111111111 -0.2618 17 C 2.4398 0.3838 -0.2184 C.2 1 UNL1111111111 -0.0581 18 C 3.6693 -0.4045 -0.3148 C.2 1 UNL1111111111 0.0215 19 C -2.6514 -2.3259 -0.2855 C.ar 1 UNL1111111111 -0.2800 20 C 4.9106 1.3589 0.8311 C.2 1 UNL1111111111 -0.0356 21 C 2.5004 1.7066 0.4898 C.2 1 UNL1111111111 0.4301 22 C -5.4079 -2.0061 0.0204 C.ar 1 UNL1111111111 -0.0046 23 C -2.7045 0.5927 -2.0041 C.ar 1 UNL1111111111 -0.1129 24 C -2.5208 2.2383 -0.2272 C.ar 1 UNL1111111111 -0.0970 25 C 3.8211 2.1345 0.9703 C.2 1 UNL1111111111 -0.2819 26 C -3.5333 -3.1395 -0.9788 C.ar 1 UNL1111111111 -0.0280 27 C -4.9145 -2.9869 -0.8267 C.ar 1 UNL1111111111 -0.2429 28 C -3.8565 1.2243 -2.4647 C.ar 1 UNL1111111111 -0.1575 29 C -3.6717 2.8664 -0.6980 C.ar 1 UNL1111111111 -0.1461 30 C -4.3424 2.3545 -1.8076 C.ar 1 UNL1111111111 -0.1187 31 C -5.0911 -0.0847 1.5398 C.2 1 UNL1111111111 0.6696 32 H -2.6580 0.2489 1.8533 H 1 UNL1111111111 0.3444 33 H -0.3520 -1.0958 1.0351 H 1 UNL1111111111 0.3097 34 H 3.5757 -1.3820 -0.8156 H 1 UNL1111111111 0.1912 35 H -1.5805 -2.4672 -0.4101 H 1 UNL1111111111 0.1674 36 H 5.8871 1.6922 1.2110 H 1 UNL1111111111 0.1807 37 H -6.4898 -1.8809 0.1378 H 1 UNL1111111111 0.1732 38 H -2.3128 -0.2843 -2.5184 H 1 UNL1111111111 0.1609 39 H -1.9853 2.6360 0.6381 H 1 UNL1111111111 0.1762 40 H 3.8491 3.1138 1.4473 H 1 UNL1111111111 0.1810 41 H -3.1467 -3.9091 -1.6499 H 1 UNL1111111111 0.1528 42 H -5.5966 -3.6340 -1.3726 H 1 UNL1111111111 0.1622 43 H -4.3763 0.8343 -3.3376 H 1 UNL1111111111 0.1547 44 H -4.0460 3.7566 -0.1939 H 1 UNL1111111111 0.1604 45 H -5.2473 2.8420 -2.1674 H 1 UNL1111111111 0.1511 46 H 7.7431 -0.4004 -1.5998 H 1 UNL1111111111 0.3885 47 H -6.8281 0.6190 2.1363 H 1 UNL1111111111 0.3606 @BOND 1 1 2 1 2 1 3 2 3 1 4 2 4 1 15 1 5 2 46 1 6 5 21 2 7 6 31 1 8 6 47 1 9 7 31 2 10 8 9 1 11 8 12 1 12 8 32 1 13 9 13 1 14 9 33 1 15 10 11 1 16 10 13 2 17 11 17 2 18 12 16 ar 19 12 19 ar 20 13 14 1 21 14 23 ar 22 14 24 ar 23 15 18 2 24 15 20 1 25 16 22 ar 26 16 31 1 27 17 18 1 28 17 21 1 29 18 34 1 30 19 26 ar 31 19 35 1 32 20 25 2 33 20 36 1 34 21 25 1 35 22 27 ar 36 22 37 1 37 23 28 ar 38 23 38 1 39 24 29 ar 40 24 39 1 41 25 40 1 42 26 27 ar 43 26 41 1 44 27 42 1 45 28 30 ar 46 28 43 1 47 29 30 ar 48 29 44 1 49 30 45 1