@MOLECULE (3z)-5-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-4-oxo-3-(phenylhydrazono)-3,4-dihydro-2,7-naphthalenedisulfonic acid 48 51 0 0 0 SMALL GASTEIGER @ATOM 1 CL 3.8800 5.4383 0.2718 Cl 1 UNL11 0.0820 2 CL 6.3045 1.0263 -1.0769 Cl 1 UNL11 0.0888 3 S -4.2058 -2.5449 -0.4898 S.O2 1 UNL11 2.4253 4 S 3.4273 -3.7236 0.2771 S.O2 1 UNL11 2.3985 5 O -0.9764 1.3855 0.4716 O.2 1 UNL11 -0.4761 6 O -4.0353 -3.8722 0.4722 O.3 1 UNL11 -0.8339 7 O 2.9087 -4.6048 1.5837 O.3 1 UNL11 -0.8498 8 O -4.2780 -2.9763 -1.8492 O.2 1 UNL11 -0.8354 9 O -5.3267 -1.8169 0.0893 O.2 1 UNL11 -0.9757 10 O 3.3659 -4.5767 -0.8731 O.2 1 UNL11 -0.8688 11 O 4.6577 -3.1135 0.6984 O.2 1 UNL11 -0.8855 12 N 1.5698 1.1030 0.4918 N.pl3 1 UNL11 -0.4418 13 N -3.3683 0.7051 0.0645 N.2 1 UNL11 -0.0387 14 N -4.6623 0.7006 -0.0163 N.pl3 1 UNL11 -0.2584 15 N 3.8389 1.0801 -0.2828 N.ar 1 UNL11 -0.5588 16 N 2.7123 3.1227 0.3481 N.ar 1 UNL11 -0.5384 17 N 5.0024 3.1768 -0.3774 N.ar 1 UNL11 -0.5081 18 C -0.0056 -0.7273 0.2045 C.ar 1 UNL11 -0.1765 19 C -0.2514 -2.0962 0.0446 C.ar 1 UNL11 0.0277 20 C 1.3305 -0.2796 0.3462 C.ar 1 UNL11 0.2233 21 C -2.6811 -1.7511 -0.1621 C.2 1 UNL11 -0.3454 22 C -1.6073 -2.5737 -0.1447 C.2 1 UNL11 -0.0908 23 C 2.1031 -2.5694 0.2354 C.ar 1 UNL11 -0.3100 24 C 0.8040 -3.0188 0.0460 C.ar 1 UNL11 -0.1105 25 C -1.1574 0.2035 0.2384 C.2 1 UNL11 0.5039 26 C -2.5352 -0.3273 0.0277 C.2 1 UNL11 -0.1711 27 C 2.3745 -1.2175 0.3977 C.ar 1 UNL11 -0.1378 28 C 2.7280 1.7497 0.1721 C.ar 1 UNL11 0.5509 29 C -5.3062 1.9768 0.0488 C.ar 1 UNL11 0.1575 30 C -6.7088 1.9641 0.0424 C.ar 1 UNL11 -0.2153 31 C -4.5929 3.1796 0.0998 C.ar 1 UNL11 -0.1735 32 C -7.3923 3.1742 0.0885 C.ar 1 UNL11 -0.1151 33 C -5.2973 4.3785 0.1459 C.ar 1 UNL11 -0.1166 34 C -6.6913 4.3790 0.1406 C.ar 1 UNL11 -0.1632 35 C 3.8573 3.7614 0.0640 C.ar 1 UNL11 0.3849 36 C 4.9264 1.8348 -0.5313 C.ar 1 UNL11 0.3843 37 H -1.6966 -3.6632 -0.2819 H 1 UNL11 0.1825 38 H 0.5858 -4.0826 -0.0964 H 1 UNL11 0.1778 39 H 3.4127 -0.8808 0.5719 H 1 UNL11 0.2287 40 H 0.7227 1.7026 0.6824 H 1 UNL11 0.3902 41 H -5.2627 -0.1536 0.0138 H 1 UNL11 0.3606 42 H -4.8242 -4.1953 0.9339 H 1 UNL11 0.4004 43 H 3.5802 -4.9253 2.1976 H 1 UNL11 0.3910 44 H -7.2590 1.0247 0.0022 H 1 UNL11 0.1694 45 H -3.4978 3.1736 0.1066 H 1 UNL11 0.1980 46 H -8.4822 3.1785 0.0838 H 1 UNL11 0.1565 47 H -4.7510 5.3214 0.1852 H 1 UNL11 0.1588 48 H -7.2346 5.3213 0.1769 H 1 UNL11 0.1542 @BOND 1 1 35 1 2 2 36 1 3 3 6 1 4 3 8 2 5 3 9 2 6 3 21 1 7 4 7 1 8 4 10 2 9 4 11 2 10 4 23 1 11 5 25 2 12 6 42 1 13 7 43 1 14 12 20 1 15 12 28 1 16 12 40 1 17 13 14 1 18 13 26 2 19 14 29 1 20 14 41 1 21 15 28 ar 22 15 36 ar 23 16 28 ar 24 16 35 ar 25 17 35 ar 26 17 36 ar 27 18 19 ar 28 18 20 ar 29 18 25 1 30 19 22 1 31 19 24 ar 32 20 27 ar 33 21 22 2 34 21 26 1 35 22 37 1 36 23 24 ar 37 23 27 ar 38 24 38 1 39 25 26 1 40 27 39 1 41 29 30 ar 42 29 31 ar 43 30 32 ar 44 30 44 1 45 31 33 ar 46 31 45 1 47 32 34 ar 48 32 46 1 49 33 34 ar 50 33 47 1 51 34 48 1