@MOLECULE (3z)-5-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-4-oxo-3-(phenylhydrazono)-3,4-dihydro-2,7-naphthalenedisulfonic acid 36 39 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 CL -1.7584 -6.0913 -1.4669 Cl 1 UNL1 0.0918 2 CL -1.8977 -2.4513 2.2640 Cl 1 UNL1 0.1021 3 S -1.4492 4.1019 -1.5252 S.3 2 UNL2 2.4087 4 S 5.0241 1.9385 0.9305 S.3 1 UNL1 2.2894 5 O -0.1615 -1.2799 -1.3018 O.2 1 UNL1 -0.3683 6 O -0.3694 4.2193 -2.4390 O.2 2 UNL2 -0.7672 7 O 4.2584 2.7950 1.7632 O.3 1 UNL1 -0.7655 8 O -2.4887 5.0683 -1.4831 O.2 2 UNL2 -0.7799 9 O -1.4892 2.9928 -0.6206 O.2 2 UNL2 -0.8600 10 O 6.3817 1.6277 1.1983 O.3 1 UNL1 -0.7578 11 O 4.6130 1.9815 -0.6802 O.3 1 UNL1 -0.5621 12 N 2.1056 -3.0886 -0.6106 N.2 1 UNL1 -0.3372 13 N -1.6583 0.2289 0.5202 N.2 1 UNL1 -0.0696 14 N -2.4665 0.8712 1.3329 N.pl3 1 UNL1 -0.0668 15 N 0.1787 -2.8587 0.7630 N.2 1 UNL1 -0.5684 16 N 0.2261 -4.4743 -1.0178 N.2 1 UNL1 -0.4438 17 N -1.7120 -4.2784 0.4000 N.pl3 1 UNL1 -0.4721 18 C 1.8981 -0.5408 -0.3991 C.2 1 UNL1 -0.2630 19 C 2.6057 0.6153 -0.0895 C.2 1 UNL1 0.1921 20 C 2.5617 -1.8913 -0.6288 C.2 1 UNL1 0.3751 21 C 0.4677 1.5934 0.4193 C.2 1 UNL1 0.0524 22 C 1.6953 1.6193 0.2813 C.2 1 UNL1 -0.1534 23 C 4.5601 -0.5088 -0.5182 C.2 1 UNL1 -0.0646 24 C 4.1133 0.7670 -0.0743 C.3 1 UNL1 -0.0827 25 C 0.3995 -0.5357 -0.5506 C.2 1 UNL1 0.4869 26 C -0.4562 0.5481 0.2173 C.2 1 UNL1 0.0832 27 C 3.9394 -1.5478 -0.7376 C.2 1 UNL1 -0.0516 28 C 0.7981 -3.4648 -0.3067 C.1 1 UNL1 0.5554 29 C -3.5486 1.4725 0.9903 C.ar 1 UNL1 0.1991 30 C -4.5789 1.9669 1.9039 C.ar 1 UNL1 -0.0501 31 C -4.2039 1.8764 -0.2564 C.ar 1 UNL1 -0.0727 32 C -5.6583 2.5312 1.6775 C.ar 1 UNL1 -0.2446 33 C -5.2954 2.4348 -0.4390 C.ar 1 UNL1 -0.2380 34 C -6.3964 2.9462 0.4397 C.ar 1 UNL1 0.4610 35 C -1.0137 -4.8384 -0.6157 C.2 1 UNL1 0.3612 36 C -1.0709 -3.2757 1.0489 C.2 1 UNL1 0.3810 @BOND 1 6 3 2 2 3 8 2 3 3 9 2 4 1 35 1 5 5 25 2 6 16 35 2 7 16 28 2 8 27 20 1 9 27 23 2 10 11 24 1 11 11 4 1 12 20 12 2 13 20 18 1 14 35 17 1 15 12 28 1 16 25 18 1 17 25 26 1 18 23 24 1 19 33 31 ar 20 33 34 ar 21 18 19 2 22 28 15 2 23 31 29 ar 24 19 24 1 25 19 22 1 26 24 4 1 27 26 21 1 28 26 13 2 29 22 21 2 30 17 36 1 31 34 32 ar 32 13 14 1 33 15 36 2 34 4 10 1 35 4 7 1 36 29 14 1 37 29 30 ar 38 36 2 1 39 32 30 ar