@MOLECULE (7z)-7-[(2-hydroxy-3,5-dinitrophenyl)hydrazono]-8-oxo-7,8-dihydro-1,6-naphthalenedisulfonic acid 44 46 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 S 3.4711 2.8784 0.3324 S.3 1 UNL1 2.4021 2 S 0.7728 -3.7651 -0.4662 S.3 1 UNL1 2.4348 3 O 1.6207 1.1416 -1.2950 O.2 1 UNL1 -0.4098 4 O 1.9184 2.5838 0.8063 O.3 1 UNL1 -0.8402 5 O 1.5725 -4.6886 0.6396 O.3 1 UNL1 -0.8361 6 O 4.1499 3.5608 1.3990 O.3 1 UNL1 -0.8730 7 O 3.4276 3.4406 -0.9837 O.3 1 UNL1 -0.8542 8 O 0.9539 -4.3353 -1.7607 O.3 1 UNL1 -0.8225 9 O -0.5662 -3.6167 0.0886 O.3 1 UNL1 -0.9773 10 O -1.5373 1.7864 -0.8678 O.3 1 UNL1 -0.4000 11 O -4.6726 3.7811 0.1059 O.2 1 UNL1 -0.4049 12 O -3.2356 3.6020 -1.4872 O.2 1 UNL1 -0.3472 13 O -5.9020 -2.2229 1.1240 O.2 1 UNL1 -0.3987 14 O -6.9781 -0.3585 1.2255 O.2 1 UNL1 -0.3863 15 N -0.1840 -0.4980 -0.3984 N.2 1 UNL1 -0.1346 16 N -1.3213 -1.1534 -0.3484 N.pl3 1 UNL1 -0.2781 17 N -3.8880 3.1397 -0.5751 N.pl3 1 UNL1 0.6468 18 N -5.9804 -1.0141 0.9822 N.pl3 1 UNL1 0.6423 19 C 3.3172 0.0950 -0.0154 C.ar 1 UNL1 -0.0459 20 C 3.8274 -1.1976 0.1815 C.ar 1 UNL1 -0.0417 21 C 4.0765 1.2076 0.3448 C.ar 1 UNL1 -0.3381 22 C 1.6621 -2.2708 -0.2888 C.2 1 UNL1 -0.3975 23 C 1.0368 -0.9712 -0.4206 C.2 1 UNL1 -0.1031 24 C 1.9692 0.1955 -0.6327 C.2 1 UNL1 0.4813 25 C 2.9893 -2.3633 -0.0475 C.2 1 UNL1 -0.0330 26 C 5.1390 -1.3647 0.6460 C.ar 1 UNL1 -0.1061 27 C 5.3716 1.0294 0.8284 C.ar 1 UNL1 -0.0663 28 C 5.9108 -0.2527 0.9549 C.ar 1 UNL1 -0.1545 29 C -2.4795 -0.3519 -0.1427 C.ar 1 UNL1 -0.0168 30 C -2.5440 1.0412 -0.4476 C.ar 1 UNL1 0.3627 31 C -3.6138 -1.0129 0.3179 C.ar 1 UNL1 -0.0598 32 C -3.7708 1.7199 -0.2689 C.ar 1 UNL1 -0.1998 33 C -4.8101 -0.3071 0.4908 C.ar 1 UNL1 -0.1539 34 C -4.8972 1.0554 0.2137 C.ar 1 UNL1 0.0214 35 H 3.5089 -3.3314 0.0248 H 1 UNL1 0.1807 36 H 5.5499 -2.3668 0.7745 H 1 UNL1 0.1592 37 H 5.9866 1.8890 1.1354 H 1 UNL1 0.1891 38 H 6.9331 -0.3793 1.3144 H 1 UNL1 0.1661 39 H -1.3845 -2.1713 -0.1043 H 1 UNL1 0.3705 40 H -3.5827 -2.0897 0.5473 H 1 UNL1 0.2051 41 H -5.8423 1.6035 0.3742 H 1 UNL1 0.2168 42 H 1.2072 2.9262 0.2412 H 1 UNL1 0.4026 43 H 1.0420 -5.2822 1.1946 H 1 UNL1 0.4033 44 H -0.6542 1.2877 -0.9897 H 1 UNL1 0.3943 @BOND 1 8 2 1 2 12 17 2 3 3 24 2 4 44 10 1 5 7 1 1 6 10 30 1 7 24 23 1 8 24 19 1 9 17 32 1 10 17 11 2 11 2 22 1 12 2 9 1 13 2 5 1 14 30 32 ar 15 30 29 ar 16 23 15 2 17 23 22 1 18 15 16 1 19 16 29 1 20 16 39 1 21 22 25 2 22 32 34 ar 23 29 31 ar 24 25 35 1 25 25 20 1 26 19 20 ar 27 19 21 ar 28 20 26 ar 29 34 41 1 30 34 33 ar 31 42 4 1 32 31 33 ar 33 31 40 1 34 1 21 1 35 1 4 1 36 1 6 1 37 21 27 ar 38 33 18 1 39 5 43 1 40 26 36 1 41 26 28 ar 42 27 28 ar 43 27 37 1 44 28 38 1 45 18 13 2 46 18 14 2