@MOLECULE 6-(4-fluorophenyl)-5-(4-methoxyphenyl)-7h-pyrrolo[2,3-d]pyrimidine-2,4-diamine 42 45 0 0 0 SMALL GASTEIGER @ATOM 1 N -4.4216 0.8238 -0.0848 N.ar 1 UNL1111 -0.6529 2 C -4.7787 -0.5076 -0.0446 C.ar 1 UNL1111 0.5891 3 N -3.9363 -1.5867 -0.0109 N.ar 1 UNL1111 -0.6138 4 C -2.6247 -1.2409 0.0047 C.ar 1 UNL1111 0.3778 5 C -2.1178 0.1034 -0.0045 C.ar 1 UNL1111 -0.3752 6 C -3.0957 1.1290 -0.0645 C.ar 1 UNL1111 0.5132 7 C 3.8310 4.5170 -0.8058 C.3 1 UNL1111 -0.2019 8 N -6.1215 -0.7725 -0.0389 N.pl3 1 UNL1111 -0.5870 9 N -2.7779 2.4557 -0.0943 N.pl3 1 UNL1111 -0.5822 10 F 4.6544 -3.6539 0.1125 F 1 UNL1111 -0.1770 11 C 2.5011 -3.6106 -0.7932 C.ar 1 UNL1111 -0.2237 12 C 3.1811 -2.0600 0.9791 C.ar 1 UNL1111 -0.2234 13 C 1.1812 3.0390 1.1584 C.ar 1 UNL1111 -0.2550 14 C 2.0375 2.3425 -1.0242 C.ar 1 UNL1111 -0.2971 15 C 1.2360 -3.0307 -0.8014 C.ar 1 UNL1111 -0.1101 16 C 1.9099 -1.4972 0.9573 C.ar 1 UNL1111 -0.0863 17 C 0.2818 1.9854 1.1353 C.ar 1 UNL1111 -0.0935 18 C 1.1242 1.2910 -1.0296 C.ar 1 UNL1111 -0.0647 19 N -1.5575 -2.1146 0.0218 N.ar 1 UNL1111 -0.3657 20 O 2.8693 4.2841 0.2136 O.3 1 UNL1111 -0.3217 21 C 3.4468 -3.1092 0.0997 C.ar 1 UNL1111 0.2036 22 C 2.0540 3.2068 0.0700 C.ar 1 UNL1111 0.2517 23 C 0.9375 -1.9776 0.0700 C.ar 1 UNL1111 -0.0364 24 C 0.2455 1.1108 0.0405 C.ar 1 UNL1111 -0.0814 25 C -0.3676 -1.3468 0.0447 C.ar 1 UNL1111 0.0333 26 C -0.6912 0.0048 0.0297 C.ar 1 UNL1111 -0.0052 27 H 4.5151 3.6680 -0.9028 H 1 UNL1111 0.1365 28 H 3.3416 4.7498 -1.7565 H 1 UNL1111 0.1347 29 H 4.3654 5.3972 -0.4225 H 1 UNL1111 0.1537 30 H -6.7806 -0.0242 -0.0823 H 1 UNL1111 0.3230 31 H -6.4431 -1.7183 -0.0344 H 1 UNL1111 0.3240 32 H -3.4994 3.1449 -0.1719 H 1 UNL1111 0.3199 33 H -1.8226 2.7480 -0.1545 H 1 UNL1111 0.3229 34 H 2.7432 -4.4273 -1.4698 H 1 UNL1111 0.1720 35 H 3.9429 -1.6889 1.6620 H 1 UNL1111 0.1750 36 H 1.2288 3.7277 1.9976 H 1 UNL1111 0.1712 37 H 2.7165 2.4715 -1.8594 H 1 UNL1111 0.1632 38 H 0.4814 -3.3902 -1.5011 H 1 UNL1111 0.1608 39 H 1.6649 -0.6712 1.6292 H 1 UNL1111 0.1717 40 H -0.3984 1.8248 1.9741 H 1 UNL1111 0.1659 41 H 1.0942 0.6010 -1.8745 H 1 UNL1111 0.1617 42 H -1.6134 -3.1071 0.0766 H 1 UNL1111 0.3292 @BOND 1 1 2 ar 2 1 6 ar 3 2 3 ar 4 2 8 1 5 3 4 ar 6 4 5 ar 7 4 19 ar 8 5 6 ar 9 5 26 ar 10 6 9 1 11 7 20 1 12 7 27 1 13 7 28 1 14 7 29 1 15 8 30 1 16 8 31 1 17 9 32 1 18 9 33 1 19 10 21 1 20 11 15 ar 21 11 21 ar 22 11 34 1 23 12 16 ar 24 12 21 ar 25 12 35 1 26 13 17 ar 27 13 22 ar 28 13 36 1 29 14 18 ar 30 14 22 ar 31 14 37 1 32 15 23 ar 33 15 38 1 34 16 23 ar 35 16 39 1 36 17 24 ar 37 17 40 1 38 18 24 ar 39 18 41 1 40 19 25 ar 41 19 42 1 42 20 22 1 43 23 25 1 44 24 26 1 45 25 26 ar