@MOLECULE {4-amino-2-[(4-chlorophenyl)amino]-1,3-thiazol-5-yl}(3-nitrophenyl)methanone 25 28 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 CL 6.8620 0.4868 -0.8983 Cl 1 UNL1 0.0899 2 N -1.2284 -4.1895 0.1141 N.2 1 UNL1 -0.1357 3 C -5.0710 1.5773 -0.8039 C.ar 1 UNL1 -0.0717 4 C -4.9347 0.2589 -0.7938 C.ar 1 UNL1 0.1515 5 C -3.7527 -0.3228 -0.4284 C.ar 1 UNL1 -0.2000 6 C -3.3871 -1.7751 -0.3613 C.2 1 UNL1 0.4584 7 C -2.0001 -1.8598 0.0504 C.3 1 UNL1 -0.3281 8 C -1.0471 -2.9440 0.2472 C.2 1 UNL1 0.2550 9 N 0.2589 -2.4247 0.6326 N.2 1 UNL1 -0.3694 10 C 3.5350 0.6499 1.2343 C.ar 1 UNL1 0.0104 11 C 4.7351 0.8294 0.7895 C.ar 1 UNL1 -0.0377 12 C 5.3281 0.2450 -0.3354 C.ar 1 UNL1 0.0157 13 C -4.1141 2.4113 -0.4765 C.ar 1 UNL1 0.1066 14 C -2.8502 1.9881 -0.0932 C.ar 1 UNL1 -0.1180 15 C -2.6979 0.5870 -0.0724 C.ar 1 UNL1 0.0329 16 O -4.1412 -2.6778 -0.6134 O.2 1 UNL1 -0.3189 17 S -1.2929 -0.3379 0.3530 S.3 1 UNL1 0.3010 18 C 0.3366 -1.1449 0.7358 C.2 1 UNL1 0.3438 19 N 1.3154 -0.3328 1.2212 N.pl3 1 UNL1 -0.2660 20 C 2.5092 -0.1976 0.6961 C.ar 1 UNL1 0.2499 21 C 3.1429 -0.7791 -0.4538 C.ar 1 UNL1 -0.0588 22 C 4.3443 -0.5884 -0.8835 C.ar 1 UNL1 -0.0143 23 O -0.6562 2.4995 0.3109 O.2 1 UNL1 -0.3885 24 N -1.7924 2.9285 0.2263 N.pl3 1 UNL1 0.6473 25 O -2.1040 4.0941 0.3772 O.2 1 UNL1 -0.3552 @BOND 1 1 12 1 2 22 21 ar 3 22 12 ar 4 3 4 ar 5 3 13 ar 6 4 5 ar 7 16 6 2 8 13 14 ar 9 21 20 ar 10 5 6 1 11 5 15 ar 12 6 7 1 13 12 11 ar 14 14 15 ar 15 14 24 1 16 15 17 1 17 7 8 1 18 7 17 1 19 2 8 2 20 24 23 2 21 24 25 2 22 8 9 1 23 17 18 1 24 9 18 2 25 20 19 1 26 20 10 ar 27 18 19 1 28 11 10 ar