@MOLECULE 4-[(2z)-2-(1-oxo-4-sulfo-2(1h)-naphthalenylidene)hydrazino]-1-naphthalenesulfonic acid 45 48 0 0 0 SMALL GASTEIGER @ATOM 1 S -6.1478 -1.3178 0.1501 S.O2 1 UNL11 2.4096 2 S 5.1038 -2.1551 -0.1665 S.O2 1 UNL11 2.4225 3 O -6.6147 -0.9667 -1.4009 O.3 1 UNL11 -0.8400 4 O 1.4209 2.3667 0.1215 O.2 1 UNL11 -0.5392 5 O 5.6047 -2.1723 1.4133 O.3 1 UNL11 -0.8375 6 O -6.1328 -2.7578 0.2313 O.2 1 UNL11 -0.9147 7 O -6.9828 -0.5449 1.0270 O.2 1 UNL11 -0.8799 8 O 6.2618 -1.9296 -0.9848 O.2 1 UNL11 -0.8786 9 O 4.3198 -3.3565 -0.3206 O.2 1 UNL11 -0.9230 10 N -0.4968 0.5678 0.0323 N.pl3 1 UNL11 -0.2809 11 N 0.4676 -0.3218 -0.0378 N.2 1 UNL11 -0.0443 12 C -2.8711 1.1165 -0.0198 C.ar 1 UNL11 -0.0874 13 C -4.2241 0.6905 0.0168 C.ar 1 UNL11 0.0954 14 C 4.5731 0.5907 -0.0423 C.ar 1 UNL11 0.0975 15 C -1.8403 0.1170 0.0379 C.ar 1 UNL11 0.2147 16 C -4.5140 -0.7024 0.1007 C.ar 1 UNL11 -0.4278 17 C 4.0450 -0.7636 -0.1141 C.2 1 UNL11 -0.4388 18 C 3.6707 1.6697 0.0482 C.ar 1 UNL11 -0.1826 19 C 1.7390 0.0574 -0.0348 C.2 1 UNL11 -0.1904 20 C 2.7145 -1.0095 -0.1140 C.2 1 UNL11 0.0356 21 C 2.2235 1.4478 0.0514 C.2 1 UNL11 0.4891 22 C -2.1504 -1.2267 0.1055 C.ar 1 UNL11 -0.2371 23 C -3.4983 -1.6294 0.1343 C.ar 1 UNL11 -0.0164 24 C -2.5770 2.5034 -0.1212 C.ar 1 UNL11 -0.1571 25 C -5.2425 1.6856 -0.0389 C.ar 1 UNL11 -0.1608 26 C 5.9447 0.8855 -0.0554 C.ar 1 UNL11 -0.1802 27 C 4.1268 2.9898 0.1365 C.ar 1 UNL11 -0.0681 28 C -3.5807 3.4351 -0.1789 C.ar 1 UNL11 -0.1320 29 C -4.9312 3.0170 -0.1347 C.ar 1 UNL11 -0.1161 30 C 6.3924 2.1994 0.0307 C.ar 1 UNL11 -0.0869 31 C 5.4883 3.2585 0.1309 C.ar 1 UNL11 -0.1865 32 H 2.2956 -2.0323 -0.1723 H 1 UNL11 0.1978 33 H -1.3648 -1.9854 0.1372 H 1 UNL11 0.1915 34 H -3.7023 -2.7111 0.1891 H 1 UNL11 0.1861 35 H -1.5409 2.8447 -0.1599 H 1 UNL11 0.1543 36 H -6.2991 1.3970 0.0011 H 1 UNL11 0.1912 37 H -0.2805 1.5847 0.0925 H 1 UNL11 0.3500 38 H 6.6976 0.0948 -0.1435 H 1 UNL11 0.1937 39 H 3.3982 3.8029 0.2093 H 1 UNL11 0.1724 40 H -3.3539 4.4983 -0.2570 H 1 UNL11 0.1611 41 H -5.7198 3.7691 -0.1782 H 1 UNL11 0.1566 42 H 7.4638 2.4019 0.0197 H 1 UNL11 0.1525 43 H 5.8480 4.2828 0.2017 H 1 UNL11 0.1587 44 H -7.2459 -1.5634 -1.8202 H 1 UNL11 0.3884 45 H 5.7159 -3.0348 1.8305 H 1 UNL11 0.3875 @BOND 1 1 3 1 2 1 6 2 3 1 7 2 4 1 16 1 5 2 5 1 6 2 8 2 7 2 9 2 8 2 17 1 9 3 44 1 10 4 21 2 11 5 45 1 12 10 11 1 13 10 15 1 14 10 37 1 15 11 19 2 16 12 13 ar 17 12 15 ar 18 12 24 ar 19 13 16 ar 20 13 25 ar 21 14 17 1 22 14 18 ar 23 14 26 ar 24 15 22 ar 25 16 23 ar 26 17 20 2 27 18 21 1 28 18 27 ar 29 19 20 1 30 19 21 1 31 20 32 1 32 22 23 ar 33 22 33 1 34 23 34 1 35 24 28 ar 36 24 35 1 37 25 29 ar 38 25 36 1 39 26 30 ar 40 26 38 1 41 27 31 ar 42 27 39 1 43 28 29 ar 44 28 40 1 45 29 41 1 46 30 31 ar 47 30 42 1 48 31 43 1