@MOLECULE 2-(4-methyl-1-piperazinyl)-5-(2,3,5-trichlorophenyl)-4-pyrimidinamine 39 41 0 0 0 SMALL GASTEIGER @ATOM 1 CL 1.7680 2.3516 -0.0329 Cl 1 UNL111111111 -0.0108 2 CL 4.9002 2.2073 0.0548 Cl 1 UNL111111111 -0.0256 3 CL 4.5885 -3.1021 0.2571 Cl 1 UNL111111111 -0.0572 4 N -3.7668 -0.1785 0.0897 N.pl3 1 UNL111111111 -0.3724 5 N -6.5972 0.1570 0.0669 N.3 1 UNL111111111 -0.3936 6 N -1.7540 -0.1708 -1.1448 N.ar 1 UNL111111111 -0.6284 7 N -1.7379 -0.0324 1.2803 N.ar 1 UNL111111111 -0.5508 8 N 0.2105 -0.2534 -2.3560 N.pl3 1 UNL111111111 -0.5853 9 C -4.4945 -0.1531 -1.1930 C.3 1 UNL111111111 -0.0844 10 C -4.4426 0.5418 1.1892 C.3 1 UNL111111111 -0.0854 11 C -5.9346 -0.6685 -0.9717 C.3 1 UNL111111111 -0.1329 12 C -5.8807 0.0173 1.3575 C.3 1 UNL111111111 -0.1342 13 C -2.3918 -0.1030 0.0614 C.ar 1 UNL111111111 0.5475 14 C -8.0129 -0.2345 0.2185 C.3 1 UNL111111111 -0.2846 15 C 0.3442 -0.2163 0.0903 C.ar 1 UNL111111111 -0.4243 16 C -0.3900 -0.2112 -1.1270 C.ar 1 UNL111111111 0.5059 17 C -0.4052 -0.1048 1.2712 C.ar 1 UNL111111111 0.2251 18 C 1.7931 -0.2997 0.1153 C.ar 1 UNL111111111 0.0722 19 C 2.5707 0.8620 0.0684 C.ar 1 UNL111111111 -0.0638 20 C 2.4320 -1.5412 0.1790 C.ar 1 UNL111111111 -0.1772 21 C 3.9574 0.7938 0.0961 C.ar 1 UNL111111111 0.0095 22 C 3.8202 -1.5798 0.1930 C.ar 1 UNL111111111 0.0368 23 C 4.6073 -0.4353 0.1553 C.ar 1 UNL111111111 -0.1897 24 H -3.9724 -0.8133 -1.9280 H 1 UNL111111111 0.1680 25 H -4.5111 0.8768 -1.6162 H 1 UNL111111111 0.1501 26 H -4.4537 1.6346 0.9773 H 1 UNL111111111 0.1457 27 H -3.8772 0.3860 2.1417 H 1 UNL111111111 0.1801 28 H -6.4948 -0.5567 -1.9255 H 1 UNL111111111 0.1431 29 H -5.9174 -1.7500 -0.7190 H 1 UNL111111111 0.1283 30 H -5.8640 -1.0251 1.7398 H 1 UNL111111111 0.1296 31 H -6.4026 0.6445 2.1155 H 1 UNL111111111 0.1442 32 H -8.1737 -1.2816 0.5296 H 1 UNL111111111 0.1208 33 H -8.5353 -0.0688 -0.7383 H 1 UNL111111111 0.1465 34 H -8.4889 0.4245 0.9657 H 1 UNL111111111 0.1466 35 H 0.0855 -0.0654 2.2563 H 1 UNL111111111 0.1793 36 H 1.8314 -2.4533 0.2165 H 1 UNL111111111 0.1934 37 H 1.1996 -0.1571 -2.4457 H 1 UNL111111111 0.3138 38 H -0.3507 -0.1861 -3.1847 H 1 UNL111111111 0.3223 39 H 5.6977 -0.4961 0.1756 H 1 UNL111111111 0.1917 @BOND 1 1 19 1 2 2 21 1 3 3 22 1 4 4 9 1 5 4 10 1 6 4 13 1 7 5 11 1 8 5 12 1 9 5 14 1 10 6 13 ar 11 6 16 ar 12 7 13 ar 13 7 17 ar 14 8 16 1 15 8 37 1 16 8 38 1 17 9 11 1 18 9 24 1 19 9 25 1 20 10 12 1 21 10 26 1 22 10 27 1 23 11 28 1 24 11 29 1 25 12 30 1 26 12 31 1 27 14 32 1 28 14 33 1 29 14 34 1 30 15 16 ar 31 15 17 ar 32 15 18 1 33 17 35 1 34 18 19 ar 35 18 20 ar 36 19 21 ar 37 20 22 ar 38 20 36 1 39 21 23 ar 40 22 23 ar 41 23 39 1