@MOLECULE n~4~-(5-chloro-1,3-benzodioxol-4-yl)-n~2~-[3-(4-morpholinyl)phenyl]-2,4-pyrimidinediamine 50 54 0 0 0 SMALL GASTEIGER @ATOM 1 CL -3.9554 3.1851 -0.9946 Cl 1 UNL1111 -0.0466 2 C -4.7362 1.8138 -0.3506 C.ar 1 UNL1111 -0.0761 3 C -6.0984 1.8869 -0.1181 C.ar 1 UNL1111 -0.1149 4 C -6.8045 0.7911 0.4080 C.ar 1 UNL1111 -0.2192 5 C -6.0597 -0.3344 0.6750 C.ar 1 UNL1111 0.1809 6 O -6.5061 -1.5173 1.1986 O.3 1 UNL1111 -0.3301 7 C -5.3318 -2.3564 1.3115 C.3 1 UNL1111 0.1516 8 O -4.1813 -1.6326 0.8157 O.3 1 UNL1111 -0.3025 9 C -4.6677 -0.4048 0.4442 C.ar 1 UNL1111 0.0300 10 C -3.9541 0.6605 -0.0847 C.ar 1 UNL1111 0.1516 11 N -2.5762 0.6496 -0.3322 N.pl3 1 UNL1111 -0.4597 12 C -1.8746 -0.5228 -0.5881 C.ar 1 UNL1111 0.4719 13 C -2.4241 -1.6685 -1.1932 C.ar 1 UNL1111 -0.4539 14 C -1.5459 -2.7293 -1.4375 C.ar 1 UNL1111 0.1947 15 N -0.2409 -2.6753 -1.1402 N.ar 1 UNL1111 -0.5501 16 C 0.2279 -1.5063 -0.5690 C.ar 1 UNL1111 0.5556 17 N 1.5822 -1.5255 -0.3121 N.pl3 1 UNL1111 -0.4699 18 C 2.3739 -0.4775 0.2088 C.ar 1 UNL1111 0.2841 19 C 1.8644 0.5817 0.9608 C.ar 1 UNL1111 -0.2707 20 C 2.7490 1.5336 1.4650 C.ar 1 UNL1111 -0.0375 21 C 4.1146 1.4415 1.2420 C.ar 1 UNL1111 -0.2998 22 C 4.6344 0.3721 0.4816 C.ar 1 UNL1111 0.2636 23 C 3.7549 -0.5828 -0.0444 C.ar 1 UNL1111 -0.3789 24 N 6.0376 0.2457 0.3694 N.pl3 1 UNL1111 -0.4220 25 C 6.5541 -0.9359 -0.3537 C.3 1 UNL1111 -0.1405 26 C 8.0649 -1.0525 -0.0679 C.3 1 UNL1111 -0.0477 27 O 8.7367 0.1297 -0.4575 O.3 1 UNL1111 -0.3819 28 C 8.2597 1.2628 0.2431 C.3 1 UNL1111 -0.0491 29 C 6.7607 1.4700 -0.0448 C.3 1 UNL1111 -0.1334 30 N -0.5481 -0.4296 -0.2751 N.ar 1 UNL1111 -0.5871 31 H -6.6472 2.8049 -0.3445 H 1 UNL1111 0.1780 32 H -7.8724 0.8371 0.5932 H 1 UNL1111 0.1822 33 H -5.1660 -2.5606 2.3787 H 1 UNL1111 0.1469 34 H -5.4823 -3.2318 0.6648 H 1 UNL1111 0.1456 35 H -2.0330 1.4703 -0.0484 H 1 UNL1111 0.3458 36 H -3.4667 -1.7257 -1.4720 H 1 UNL1111 0.1930 37 H -1.8893 -3.6658 -1.8983 H 1 UNL1111 0.1731 38 H 2.0734 -2.3700 -0.6226 H 1 UNL1111 0.3359 39 H 0.7973 0.6725 1.1605 H 1 UNL1111 0.1971 40 H 4.1211 -1.3945 -0.6622 H 1 UNL1111 0.1639 41 H 2.3555 2.3631 2.0547 H 1 UNL1111 0.1472 42 H 4.7834 2.1762 1.6783 H 1 UNL1111 0.1583 43 H 6.0421 -1.8494 0.0221 H 1 UNL1111 0.1513 44 H 6.3784 -0.8661 -1.4494 H 1 UNL1111 0.1369 45 H 6.6066 1.6865 -1.1254 H 1 UNL1111 0.1385 46 H 6.3860 2.3471 0.5234 H 1 UNL1111 0.1498 47 H 8.2604 -1.2572 0.9996 H 1 UNL1111 0.1318 48 H 8.5417 -1.8268 -0.6941 H 1 UNL1111 0.1397 49 H 8.4544 1.1432 1.3235 H 1 UNL1111 0.1322 50 H 8.8750 2.0844 -0.1631 H 1 UNL1111 0.1402 @BOND 1 1 2 1 2 2 3 ar 3 2 10 ar 4 3 4 ar 5 3 31 1 6 4 5 ar 7 4 32 1 8 5 6 1 9 5 9 ar 10 6 7 1 11 7 8 1 12 7 33 1 13 7 34 1 14 8 9 1 15 9 10 ar 16 10 11 1 17 11 12 1 18 11 35 1 19 12 13 ar 20 12 30 ar 21 13 14 ar 22 13 36 1 23 14 15 ar 24 14 37 1 25 15 16 ar 26 16 17 1 27 16 30 ar 28 17 18 1 29 17 38 1 30 18 19 ar 31 18 23 ar 32 19 20 ar 33 19 39 1 34 20 21 ar 35 20 41 1 36 21 22 ar 37 21 42 1 38 22 23 ar 39 22 24 1 40 23 40 1 41 24 25 1 42 24 29 1 43 25 26 1 44 25 43 1 45 25 44 1 46 26 27 1 47 26 47 1 48 26 48 1 49 27 28 1 50 28 29 1 51 28 49 1 52 28 50 1 53 29 45 1 54 29 46 1