@MOLECULE 4-[(e)-(4-anilino-5-sulfo-1-naphthyl)diazenyl]-5-hydroxy-2,7-naphthalenedisulfonic acid 42 46 0 0 0 SMALL GASTEIGER @ATOM 1 S -6.0044 -1.4194 -1.2924 S.3 1 UNL11 2.2883 2 S 4.9204 -4.0023 1.0415 S.3 1 UNL11 2.2924 3 S 6.1935 3.6815 -0.7040 S.3 1 UNL11 2.2864 4 O 1.4988 1.6514 -0.9935 O.3 1 UNL11 -0.2825 5 O -6.1870 -2.7689 -2.2417 O.3 1 UNL11 -0.3544 6 O -6.4170 -0.3371 -2.1360 O.2 1 UNL11 -0.8264 7 O -6.5936 -1.7961 -0.0401 O.2 1 UNL11 -0.8309 8 O 3.5664 -4.8002 1.5414 O.3 1 UNL11 -0.3279 9 O 6.7422 3.6275 -2.0248 O.3 1 UNL11 -0.8267 10 O 5.7404 -3.8822 2.2103 O.2 1 UNL11 -0.8313 11 O 5.3614 -4.6164 -0.1720 O.2 1 UNL11 -0.8329 12 O 6.9791 3.7280 0.4911 O.2 1 UNL11 -0.8277 13 O 5.2168 5.0079 -0.6661 O.2 1 UNL11 -0.3269 14 N -5.4160 0.7141 0.3354 N.pl3 1 UNL11 -0.2539 15 N 0.2536 0.0780 0.6526 N.2 1 UNL11 -0.1364 16 N 0.8708 -0.9683 0.2354 N.2 1 UNL11 -0.1349 17 C -3.4452 -0.5349 -0.3668 C.ar 1 UNL11 0.0852 18 C -2.0016 -0.6837 -0.3081 C.ar 1 UNL11 -0.1111 19 C 3.1298 0.1527 -0.1071 C.ar 1 UNL11 -0.0687 20 C 4.5575 -0.0334 0.0153 C.ar 1 UNL11 -0.1550 21 C -4.1186 0.5753 0.4144 C.ar 1 UNL11 0.1791 22 C -4.2327 -1.4211 -1.1414 C.ar 1 UNL11 -0.3913 23 C -1.0927 0.1517 0.5180 C.ar 1 UNL11 0.1835 24 C 2.2728 -0.9326 0.2280 C.ar 1 UNL11 0.0455 25 C 4.2577 -2.4258 0.6370 C.ar 1 UNL11 -0.4587 26 C 4.9721 -1.3102 0.3635 C.ar 1 UNL11 0.1814 27 C 5.3526 1.0700 -0.2039 C.ar 1 UNL11 0.1291 28 C 2.6380 1.4670 -0.6236 C.ar 1 UNL11 0.3386 29 C -1.4944 -1.7084 -1.0752 C.ar 1 UNL11 0.0958 30 C 5.0203 2.3748 -0.5391 C.ar 1 UNL11 -0.4194 31 C -3.1250 1.2789 1.1102 C.ar 1 UNL11 -0.0782 32 C 2.9197 -2.1130 0.5367 C.ar 1 UNL11 0.1206 33 C -1.8707 1.1092 1.1526 C.ar 1 UNL11 0.0080 34 C -3.5504 -2.3879 -1.8330 C.ar 1 UNL11 0.0957 35 C 3.6963 2.4392 -0.7004 C.ar 1 UNL11 0.0564 36 C -2.2407 -2.5143 -1.7890 C.ar 1 UNL11 -0.0561 37 C -6.1191 1.6889 1.0188 C.ar 1 UNL11 -0.0068 38 C -7.5239 1.7336 0.9077 C.ar 1 UNL11 0.1627 39 C -5.5827 2.6812 1.8601 C.ar 1 UNL11 0.0538 40 C -8.2809 2.6513 1.5712 C.ar 1 UNL11 -0.0592 41 C -6.3284 3.5991 2.5229 C.ar 1 UNL11 -0.0426 42 C -7.6331 3.5191 2.3235 C.ar 1 UNL11 0.0374 @BOND 1 1 5 1 2 1 6 2 3 1 7 2 4 1 22 1 5 2 8 1 6 2 10 2 7 2 11 2 8 2 25 1 9 3 9 1 10 3 12 2 11 3 13 2 12 3 30 1 13 4 28 1 14 14 21 1 15 14 37 1 16 15 16 2 17 15 23 1 18 16 24 1 19 17 18 ar 20 17 21 ar 21 17 22 ar 22 18 23 ar 23 18 29 ar 24 19 20 ar 25 19 24 ar 26 19 28 ar 27 20 26 ar 28 20 27 ar 29 21 31 ar 30 22 34 ar 31 23 33 ar 32 24 32 ar 33 25 26 ar 34 25 32 ar 35 27 30 ar 36 28 35 ar 37 29 36 ar 38 30 35 ar 39 31 33 ar 40 34 36 ar 41 37 38 ar 42 37 39 ar 43 38 40 ar 44 39 41 ar 45 40 42 ar 46 41 42 ar