@MOLECULE n~4~-(1,3-benzodioxol-5-ylmethyl)-6-(3-methoxyphenyl)-2,4-pyrimidinediamine 44 47 0 0 0 SMALL GASTEIGER @ATOM 1 O 6.2807 -0.5470 -1.5979 O.3 1 UNL1111111111 -0.3371 2 O 7.1619 -0.8947 0.5617 O.3 1 UNL1111111111 -0.3383 3 O -5.9100 -1.9283 1.3445 O.3 1 UNL1111111111 -0.3148 4 N 1.2002 0.9274 0.2642 N.pl3 1 UNL1111111111 -0.5096 5 N -0.3173 2.6501 0.3753 N.ar 1 UNL1111111111 -0.6437 6 N -2.7050 2.2830 0.0111 N.ar 1 UNL1111111111 -0.5645 7 N -1.8510 4.4053 0.5009 N.pl3 1 UNL1111111111 -0.5859 8 C 3.0878 -0.5901 0.2297 C.ar 1 UNL1111111111 -0.0520 9 C 1.5989 -0.4690 0.0454 C.3 1 UNL1111111111 -0.0580 10 C 5.2650 -0.6067 -0.6779 C.ar 1 UNL1111111111 0.1255 11 C 3.9172 -0.4894 -0.9065 C.ar 1 UNL1111111111 -0.1859 12 C 5.7948 -0.8136 0.6194 C.ar 1 UNL1111111111 0.1370 13 C 3.6083 -0.7877 1.5047 C.ar 1 UNL1111111111 -0.1399 14 C 4.9926 -0.9061 1.7304 C.ar 1 UNL1111111111 -0.1921 15 C -0.1038 1.3138 0.1569 C.ar 1 UNL1111111111 0.4891 16 C 7.4964 -0.7197 -0.8347 C.3 1 UNL1111111111 0.1572 17 C -2.4532 0.9792 -0.1995 C.ar 1 UNL1111111111 0.3216 18 C -1.1699 0.4299 -0.1443 C.ar 1 UNL1111111111 -0.5247 19 C -3.6108 0.1058 -0.4964 C.ar 1 UNL1111111111 0.0443 20 C -4.2820 -0.5125 0.5490 C.ar 1 UNL1111111111 -0.2370 21 C -3.9857 -0.1124 -1.8264 C.ar 1 UNL1111111111 -0.2077 22 C -1.6111 3.0754 0.2918 C.ar 1 UNL1111111111 0.5726 23 C -5.3442 -1.3768 0.2371 C.ar 1 UNL1111111111 0.2548 24 C -5.0436 -0.9700 -2.1074 C.ar 1 UNL1111111111 -0.0720 25 C -5.7326 -1.6158 -1.0799 C.ar 1 UNL1111111111 -0.3023 26 C -7.0074 -2.8074 1.1452 C.3 1 UNL1111111111 -0.2031 27 H 1.2924 -0.7944 -0.9802 H 1 UNL1111111111 0.1552 28 H 1.0523 -1.1321 0.7623 H 1 UNL1111111111 0.1568 29 H 3.5097 -0.3239 -1.8997 H 1 UNL1111111111 0.1818 30 H 2.9345 -0.8490 2.3611 H 1 UNL1111111111 0.1681 31 H 1.9175 1.6097 0.4687 H 1 UNL1111111111 0.3348 32 H 5.3965 -1.0604 2.7259 H 1 UNL1111111111 0.1767 33 H 8.0841 0.2047 -0.9251 H 1 UNL1111111111 0.1447 34 H 7.9818 -1.6424 -1.1814 H 1 UNL1111111111 0.1437 35 H -1.0124 -0.6208 -0.3219 H 1 UNL1111111111 0.1869 36 H -4.0091 -0.3345 1.5867 H 1 UNL1111111111 0.1813 37 H -3.4557 0.3948 -2.6290 H 1 UNL1111111111 0.1648 38 H -5.3407 -1.1414 -3.1415 H 1 UNL1111111111 0.1466 39 H -6.5523 -2.2831 -1.3166 H 1 UNL1111111111 0.1593 40 H -1.0997 5.0230 0.7243 H 1 UNL1111111111 0.3214 41 H -2.7874 4.7540 0.4652 H 1 UNL1111111111 0.3258 42 H -6.7016 -3.6927 0.5798 H 1 UNL1111111111 0.1317 43 H -7.8420 -2.2906 0.6616 H 1 UNL1111111111 0.1344 44 H -7.2724 -3.0826 2.1755 H 1 UNL1111111111 0.1526 @BOND 1 1 10 1 2 1 16 1 3 2 12 1 4 2 16 1 5 3 23 1 6 3 26 1 7 4 9 1 8 4 15 1 9 4 31 1 10 5 15 ar 11 5 22 ar 12 6 17 ar 13 6 22 ar 14 7 22 1 15 7 40 1 16 7 41 1 17 8 9 1 18 8 11 ar 19 8 13 ar 20 9 27 1 21 9 28 1 22 10 11 ar 23 10 12 ar 24 11 29 1 25 12 14 ar 26 13 14 ar 27 13 30 1 28 14 32 1 29 15 18 ar 30 16 33 1 31 16 34 1 32 17 18 ar 33 17 19 1 34 18 35 1 35 19 20 ar 36 19 21 ar 37 20 23 ar 38 20 36 1 39 21 24 ar 40 21 37 1 41 23 25 ar 42 24 25 ar 43 24 38 1 44 25 39 1 45 26 42 1 46 26 43 1 47 26 44 1