@MOLECULE n~4~-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-2-pyrimidinyl]-n~1~,n~1~-dimethyl-2-nitro-1,4-benzenediamine 44 46 0 0 0 SMALL GASTEIGER @ATOM 1 S -5.7276 0.7605 -0.5777 S.2 1 UNL1111 0.1549 2 C -8.0714 -0.8649 -0.3150 C.3 1 UNL1111 -0.4521 3 N -5.8471 -1.6217 0.4329 N.ar 1 UNL1111 -0.4292 4 O 4.8785 -2.8450 0.4092 O.2 1 UNL1111 -0.3901 5 C -6.6227 -0.7121 -0.1085 C.ar 1 UNL1111 0.1748 6 N -0.4760 1.9435 -0.0745 N.ar 1 UNL1111 -0.5159 7 C -4.5071 -1.2264 0.5121 C.ar 1 UNL1111 0.2853 8 N 0.4176 -0.2812 0.1110 N.pl3 1 UNL1111 -0.4565 9 C -3.5461 -2.1806 1.0977 C.3 1 UNL1111 -0.4368 10 N 5.9933 0.6197 0.2730 N.pl3 1 UNL1111 -0.3840 11 C -4.2472 0.0420 0.0244 C.ar 1 UNL1111 -0.3515 12 N 4.9214 -1.9211 -0.3828 N.pl3 1 UNL1111 0.6426 13 C -2.9793 0.7299 -0.0220 C.ar 1 UNL1111 0.3591 14 N -1.8691 -0.0373 0.0443 N.ar 1 UNL1111 -0.5515 15 C -2.8737 2.1353 -0.1178 C.ar 1 UNL1111 -0.4177 16 C -1.5940 2.6898 -0.1449 C.ar 1 UNL1111 0.1717 17 C -0.6476 0.5930 0.0221 C.ar 1 UNL1111 0.5269 18 C 1.7874 0.0437 0.1048 C.ar 1 UNL1111 0.1993 19 C 2.2979 1.3213 0.3858 C.ar 1 UNL1111 -0.1487 20 C 3.6668 1.5341 0.4098 C.ar 1 UNL1111 -0.1865 21 C 4.5739 0.4910 0.1617 C.ar 1 UNL1111 0.1508 22 C 6.6301 0.9411 -1.0219 C.3 1 UNL1111 -0.2688 23 C 6.4177 1.5534 1.3342 C.3 1 UNL1111 -0.2717 24 C 4.0462 -0.7769 -0.1270 C.ar 1 UNL1111 -0.0423 25 C 2.6746 -1.0133 -0.1561 C.ar 1 UNL1111 -0.2033 26 H -8.3552 -0.7963 -1.3787 H 1 UNL1111 0.1781 27 H -8.4254 -1.8527 0.0415 H 1 UNL1111 0.1900 28 H -8.6566 -0.1069 0.2326 H 1 UNL1111 0.1773 29 H 0.1714 -1.2761 0.1095 H 1 UNL1111 0.3387 30 H -2.8314 -2.5328 0.3303 H 1 UNL1111 0.1879 31 H -2.9345 -1.7087 1.8856 H 1 UNL1111 0.1794 32 H -4.0406 -3.0659 1.5290 H 1 UNL1111 0.1782 33 H -3.7465 2.7741 -0.1552 H 1 UNL1111 0.1889 34 H -1.4299 3.7738 -0.2217 H 1 UNL1111 0.1768 35 H 1.6212 2.1602 0.5869 H 1 UNL1111 0.2067 36 H 4.0458 2.5337 0.6242 H 1 UNL1111 0.1663 37 H 7.7222 0.8227 -0.9126 H 1 UNL1111 0.1552 38 H 6.3038 0.2152 -1.7901 H 1 UNL1111 0.1733 39 H 6.4148 1.9556 -1.3870 H 1 UNL1111 0.1231 40 H 6.2613 2.6174 1.1044 H 1 UNL1111 0.1224 41 H 5.8931 1.3094 2.2739 H 1 UNL1111 0.1537 42 H 7.4965 1.3927 1.5147 H 1 UNL1111 0.1568 43 H 2.3010 -2.0164 -0.3726 H 1 UNL1111 0.1833 44 O 5.6056 -1.9122 -1.3894 O.2 1 UNL1111 -0.3951 @BOND 1 1 5 ar 2 2 26 1 3 2 27 1 4 2 28 1 5 3 5 ar 6 4 12 2 7 5 2 1 8 6 17 ar 9 7 3 ar 10 7 11 ar 11 8 18 1 12 8 29 1 13 9 7 1 14 9 30 1 15 9 31 1 16 9 32 1 17 10 22 1 18 10 23 1 19 11 1 ar 20 12 44 2 21 13 11 1 22 13 14 ar 23 15 13 ar 24 15 33 1 25 16 6 ar 26 16 15 ar 27 16 34 1 28 17 8 1 29 17 14 ar 30 18 25 ar 31 18 19 ar 32 19 20 ar 33 19 35 1 34 20 21 ar 35 20 36 1 36 21 10 1 37 22 37 1 38 22 38 1 39 22 39 1 40 23 40 1 41 23 41 1 42 23 42 1 43 24 12 1 44 24 21 ar 45 25 24 ar 46 25 43 1