@MOLECULE 6-ethyl-5-[3-(4-methoxy-3-biphenylyl)-1-propyn-1-yl]-2,4-pyrimidinediamine 49 51 0 0 0 SMALL GASTEIGER @ATOM 1 N 4.6751 -0.6138 -1.3973 N.ar 1 UNL1111111111 -0.6389 2 C 5.4607 0.4738 -1.1387 C.ar 1 UNL1111111111 0.5769 3 N 5.1936 1.4585 -0.2139 N.ar 1 UNL1111111111 -0.5939 4 C 4.0546 1.3472 0.4928 C.ar 1 UNL1111111111 0.3642 5 C 3.1721 0.2626 0.3202 C.ar 1 UNL1111111111 -0.3549 6 C 3.5314 -0.7173 -0.6586 C.ar 1 UNL1111111111 0.4975 7 C 2.6598 3.3456 0.9294 C.3 1 UNL1111111111 -0.4248 8 C 0.1108 -3.9523 0.2892 C.3 1 UNL1111111111 -0.2113 9 N 6.6134 0.5982 -1.8628 N.pl3 1 UNL1111111111 -0.5828 10 N 2.7567 -1.8130 -0.9077 N.pl3 1 UNL1111111111 -0.5871 11 C 0.9315 -0.0811 1.6027 C.1 1 UNL1111111111 -0.1097 12 C 1.9841 0.1143 1.0311 C.1 1 UNL1111111111 -0.0507 13 C -6.7523 2.0958 -0.8573 C.ar 1 UNL1111111111 -0.1552 14 C -6.9322 0.7727 -0.4571 C.ar 1 UNL1111111111 -0.1442 15 C -5.4650 2.6104 -1.0041 C.ar 1 UNL1111111111 -0.1433 16 C -5.8277 -0.0372 -0.2041 C.ar 1 UNL1111111111 -0.1594 17 C -4.3576 1.8059 -0.7490 C.ar 1 UNL1111111111 -0.1549 18 C -3.1787 -1.5497 -0.7917 C.ar 1 UNL1111111111 -0.1002 19 C -2.0603 -2.3462 -0.5493 C.ar 1 UNL1111111111 -0.2729 20 C -2.4426 0.0215 0.8970 C.ar 1 UNL1111111111 -0.1208 21 C 3.7706 2.4470 1.4752 C.3 1 UNL1111111111 -0.2699 22 C -0.3319 -0.3646 2.2164 C.3 1 UNL1111111111 -0.2120 23 O 0.0145 -2.6000 0.7147 O.3 1 UNL1111111111 -0.3226 24 C -4.5373 0.4788 -0.3482 C.ar 1 UNL1111111111 0.0005 25 C -3.3697 -0.3676 -0.0785 C.ar 1 UNL1111111111 -0.0694 26 C -1.3289 -0.7622 1.1644 C.ar 1 UNL1111111111 -0.0591 27 C -1.1445 -1.9431 0.4182 C.ar 1 UNL1111111111 0.2152 28 H 2.4268 4.1547 1.6292 H 1 UNL1111111111 0.1434 29 H 2.9514 3.8020 -0.0246 H 1 UNL1111111111 0.1519 30 H 1.7364 2.7760 0.7544 H 1 UNL1111111111 0.1587 31 H 0.1974 -4.0120 -0.7998 H 1 UNL1111111111 0.1311 32 H 1.0397 -4.2833 0.7754 H 1 UNL1111111111 0.1564 33 H -0.7348 -4.5451 0.6512 H 1 UNL1111111111 0.1376 34 H 6.8530 -0.0867 -2.5485 H 1 UNL1111111111 0.3216 35 H 7.2162 1.3804 -1.7113 H 1 UNL1111111111 0.3236 36 H 3.0148 -2.4578 -1.6270 H 1 UNL1111111111 0.3179 37 H 1.8898 -1.9483 -0.4176 H 1 UNL1111111111 0.3328 38 H -7.6160 2.7262 -1.0560 H 1 UNL1111111111 0.1472 39 H -7.9369 0.3714 -0.3418 H 1 UNL1111111111 0.1478 40 H -5.3250 3.6428 -1.3186 H 1 UNL1111111111 0.1490 41 H -5.9663 -1.0691 0.1124 H 1 UNL1111111111 0.1544 42 H -3.3507 2.2038 -0.8673 H 1 UNL1111111111 0.1598 43 H -3.9017 -1.8484 -1.5505 H 1 UNL1111111111 0.1564 44 H -1.9159 -3.2575 -1.1195 H 1 UNL1111111111 0.1617 45 H -2.6056 0.9473 1.4500 H 1 UNL1111111111 0.1632 46 H 3.4729 2.0108 2.4517 H 1 UNL1111111111 0.1615 47 H 4.6877 3.0456 1.6674 H 1 UNL1111111111 0.1689 48 H -0.2252 -1.1949 2.9624 H 1 UNL1111111111 0.1730 49 H -0.6944 0.5115 2.8062 H 1 UNL1111111111 0.1661 @BOND 1 1 6 ar 2 1 2 ar 3 2 3 ar 4 3 4 ar 5 4 21 1 6 5 4 ar 7 5 12 1 8 6 5 ar 9 7 28 1 10 7 29 1 11 7 30 1 12 8 31 1 13 8 32 1 14 8 33 1 15 9 2 1 16 9 34 1 17 9 35 1 18 10 6 1 19 10 36 1 20 10 37 1 21 11 22 1 22 12 11 3 23 13 15 ar 24 13 38 1 25 14 13 ar 26 14 16 ar 27 14 39 1 28 15 17 ar 29 15 40 1 30 16 24 ar 31 16 41 1 32 17 42 1 33 18 19 ar 34 18 43 1 35 19 44 1 36 20 26 ar 37 20 25 ar 38 20 45 1 39 21 7 1 40 21 46 1 41 21 47 1 42 22 26 1 43 22 48 1 44 22 49 1 45 23 8 1 46 24 17 ar 47 24 25 1 48 25 18 ar 49 26 27 ar 50 27 19 ar 51 27 23 1