@MOLECULE n~4~-(5-chloro-1,3-benzodioxol-4-yl)-n~2~-(3,4,5-trimethoxyphenyl)-2,4-pyrimidinediamine 49 52 0 0 0 SMALL GASTEIGER @ATOM 1 C 6.8535 -2.1279 0.4031 C.3 1 UNL1111111111 -0.2137 2 O 6.4373 -0.7693 0.4711 O.3 1 UNL1111111111 -0.2739 3 C 5.1414 -0.5075 0.1755 C.ar 1 UNL1111111111 0.2809 4 C 4.1766 -1.4613 -0.1425 C.ar 1 UNL1111111111 -0.4461 5 C 2.8594 -1.0337 -0.4091 C.ar 1 UNL1111111111 0.3318 6 N 1.9511 -2.0577 -0.7511 N.pl3 1 UNL1111111111 -0.4624 7 C 0.5753 -1.9785 -0.8242 C.ar 1 UNL1111111111 0.5584 8 N -0.0323 -3.1636 -1.1966 N.ar 1 UNL1111111111 -0.5520 9 C -1.3680 -3.1587 -1.3015 C.ar 1 UNL1111111111 0.1967 10 C -2.1479 -2.0255 -1.0443 C.ar 1 UNL1111111111 -0.4576 11 C -1.4587 -0.8670 -0.6434 C.ar 1 UNL1111111111 0.4726 12 N -2.0337 0.3736 -0.4056 N.pl3 1 UNL1111111111 -0.4587 13 C -3.3758 0.5472 -0.0493 C.ar 1 UNL1111111111 0.1497 14 C -4.1410 -0.3808 0.6400 C.ar 1 UNL1111111111 0.0332 15 O -3.7545 -1.6170 1.0915 O.3 1 UNL1111111111 -0.3028 16 C -4.9234 -2.1568 1.7530 C.3 1 UNL1111111111 0.1521 17 O -6.0072 -1.2022 1.6563 O.3 1 UNL1111111111 -0.3287 18 C -5.4904 -0.1312 0.9797 C.ar 1 UNL1111111111 0.1809 19 C -6.1363 1.0417 0.6640 C.ar 1 UNL1111111111 -0.2172 20 C -5.3741 2.0003 -0.0264 C.ar 1 UNL1111111111 -0.1150 21 C -4.0547 1.7540 -0.3611 C.ar 1 UNL1111111111 -0.0772 22 CL -3.1955 2.9673 -1.1964 Cl 1 UNL1111111111 -0.0484 23 N -0.0963 -0.8339 -0.5362 N.ar 1 UNL1111111111 -0.5909 24 C 2.5192 0.3174 -0.3595 C.ar 1 UNL1111111111 -0.4018 25 C 3.4994 1.2557 -0.0234 C.ar 1 UNL1111111111 0.2831 26 O 3.2953 2.5893 0.0809 O.3 1 UNL1111111111 -0.2676 27 C 1.9620 3.0523 -0.1106 C.3 1 UNL1111111111 -0.2111 28 C 4.8216 0.8610 0.2336 C.ar 1 UNL1111111111 -0.0723 29 O 5.7941 1.8061 0.4197 O.3 1 UNL1111111111 -0.2686 30 C 6.0947 2.0025 1.8022 C.3 1 UNL1111111111 -0.2184 31 H 6.7273 -2.5279 -0.6077 H 1 UNL1111111111 0.1379 32 H 7.9206 -2.0511 0.6522 H 1 UNL1111111111 0.1515 33 H 6.3294 -2.7360 1.1463 H 1 UNL1111111111 0.1346 34 H 4.4281 -2.5128 -0.1791 H 1 UNL1111111111 0.1730 35 H 2.3439 -2.9870 -0.9330 H 1 UNL1111111111 0.3365 36 H 1.5053 0.6440 -0.5817 H 1 UNL1111111111 0.2130 37 H -1.8231 -4.1099 -1.6118 H 1 UNL1111111111 0.1745 38 H -3.2218 -2.0439 -1.1640 H 1 UNL1111111111 0.1940 39 H -1.3967 1.1607 -0.2525 H 1 UNL1111111111 0.3434 40 H -5.2270 -3.0638 1.2119 H 1 UNL1111111111 0.1461 41 H -4.6789 -2.2813 2.8173 H 1 UNL1111111111 0.1477 42 H -7.1721 1.2238 0.9322 H 1 UNL1111111111 0.1834 43 H -5.8445 2.9490 -0.2991 H 1 UNL1111111111 0.1790 44 H 2.0722 4.1321 0.0538 H 1 UNL1111111111 0.1478 45 H 1.6218 2.8539 -1.1324 H 1 UNL1111111111 0.1414 46 H 1.2841 2.6155 0.6294 H 1 UNL1111111111 0.1381 47 H 6.5017 1.0866 2.2400 H 1 UNL1111111111 0.1309 48 H 6.8562 2.7897 1.7702 H 1 UNL1111111111 0.1436 49 H 5.2090 2.3402 2.3465 H 1 UNL1111111111 0.1287 @BOND 1 1 2 1 2 1 31 1 3 1 32 1 4 1 33 1 5 2 3 1 6 3 4 ar 7 3 28 ar 8 4 5 ar 9 4 34 1 10 5 6 1 11 5 24 ar 12 6 7 1 13 6 35 1 14 7 8 ar 15 7 23 ar 16 8 9 ar 17 9 10 ar 18 9 37 1 19 10 11 ar 20 10 38 1 21 11 12 1 22 11 23 ar 23 12 13 1 24 12 39 1 25 13 14 ar 26 13 21 ar 27 14 15 1 28 14 18 ar 29 15 16 1 30 16 17 1 31 16 40 1 32 16 41 1 33 17 18 1 34 18 19 ar 35 19 20 ar 36 19 42 1 37 20 21 ar 38 20 43 1 39 21 22 1 40 24 25 ar 41 24 36 1 42 25 26 1 43 25 28 ar 44 26 27 1 45 27 44 1 46 27 45 1 47 27 46 1 48 28 29 1 49 29 30 1 50 30 47 1 51 30 48 1 52 30 49 1