@MOLECULE 5-(4,5-dimethoxy-2-methylbenzyl)-2,4-pyrimidinediamine 38 39 0 0 0 SMALL GASTEIGER @ATOM 1 O 2.5632 2.3207 -0.0197 O.3 1 UNL11111111 -0.2710 2 O 4.1592 0.5030 -0.8332 O.3 1 UNL11111111 -0.2726 3 N -3.5677 -0.5477 -0.9972 N.ar 1 UNL11111111 -0.6250 4 N -3.4729 1.4189 0.4347 N.ar 1 UNL11111111 -0.5618 5 N -2.1251 -2.3279 -0.7185 N.pl3 1 UNL11111111 -0.5936 6 N -5.0874 1.2074 -1.2529 N.pl3 1 UNL11111111 -0.5883 7 C 0.5571 -0.6632 0.8757 C.ar 1 UNL11111111 -0.0182 8 C -0.7608 -0.9582 1.5399 C.3 1 UNL11111111 -0.2356 9 C 1.4349 -1.6539 0.4504 C.ar 1 UNL11111111 -0.0013 10 C 0.9017 0.6903 0.7224 C.ar 1 UNL11111111 -0.2525 11 C -1.9018 -0.3822 0.7724 C.ar 1 UNL11111111 -0.3321 12 C 2.6539 -1.2946 -0.1500 C.ar 1 UNL11111111 -0.2669 13 C 2.1103 1.0493 0.1546 C.ar 1 UNL11111111 0.1503 14 C 2.9985 0.0367 -0.2933 C.ar 1 UNL11111111 0.1496 15 C 1.1545 -3.1118 0.6249 C.3 1 UNL11111111 -0.4357 16 C -2.5107 -1.0699 -0.3145 C.ar 1 UNL11111111 0.4717 17 C -2.4332 0.8704 1.0868 C.ar 1 UNL11111111 0.1716 18 C -4.0181 0.6760 -0.5868 C.ar 1 UNL11111111 0.5597 19 C 1.6851 3.3445 0.4313 C.3 1 UNL11111111 -0.2156 20 C 5.0581 -0.4918 -1.3099 C.3 1 UNL11111111 -0.2164 21 H -0.9128 -2.0468 1.6998 H 1 UNL11111111 0.1529 22 H -0.7396 -0.5428 2.5762 H 1 UNL11111111 0.1592 23 H 0.1965 1.4472 1.0586 H 1 UNL11111111 0.1687 24 H 3.3213 -2.0812 -0.4892 H 1 UNL11111111 0.1624 25 H 0.4574 -3.4890 -0.1282 H 1 UNL11111111 0.1415 26 H 2.0664 -3.7207 0.5355 H 1 UNL11111111 0.1541 27 H 0.7356 -3.3337 1.6179 H 1 UNL11111111 0.1572 28 H -2.0189 1.4864 1.8974 H 1 UNL11111111 0.1711 29 H -1.1970 -2.6446 -0.5015 H 1 UNL11111111 0.3103 30 H -2.5592 -2.7289 -1.5330 H 1 UNL11111111 0.3128 31 H 1.5595 3.2832 1.5201 H 1 UNL11111111 0.1333 32 H 0.7218 3.3025 -0.0908 H 1 UNL11111111 0.1406 33 H 2.2301 4.2568 0.1575 H 1 UNL11111111 0.1511 34 H 4.6084 -1.0772 -2.1202 H 1 UNL11111111 0.1344 35 H 5.3937 -1.1277 -0.4835 H 1 UNL11111111 0.1330 36 H 5.8876 0.1133 -1.6924 H 1 UNL11111111 0.1538 37 H -5.5180 0.6998 -1.9986 H 1 UNL11111111 0.3231 38 H -5.4473 2.1013 -0.9883 H 1 UNL11111111 0.3243 @BOND 1 1 13 1 2 1 19 1 3 2 14 1 4 2 20 1 5 3 16 ar 6 3 18 ar 7 4 17 ar 8 4 18 ar 9 5 16 1 10 5 29 1 11 5 30 1 12 6 18 1 13 6 37 1 14 6 38 1 15 7 8 1 16 7 9 ar 17 7 10 ar 18 8 11 1 19 8 21 1 20 8 22 1 21 9 12 ar 22 9 15 1 23 10 13 ar 24 10 23 1 25 11 16 ar 26 11 17 ar 27 12 14 ar 28 12 24 1 29 13 14 ar 30 15 25 1 31 15 26 1 32 15 27 1 33 17 28 1 34 19 31 1 35 19 32 1 36 19 33 1 37 20 34 1 38 20 35 1 39 20 36 1