@MOLECULE methyl 2-bromo-5-(7h-pyrrolo[2,3-d]pyrimidin-4-ylamino)benzoate 32 34 0 0 0 SMALL GASTEIGER @ATOM 1 BR 4.2406 -0.8794 -0.1695 Br 1 UNL1111 -0.0275 2 C 2.6957 3.5128 1.2389 C.3 1 UNL1111 -0.1776 3 O 2.1275 2.2098 1.1447 O.3 1 UNL1111 -0.3833 4 C 2.2796 1.5872 -0.0529 C.2 1 UNL1111 0.5869 5 O 2.8506 2.0833 -0.9856 O.2 1 UNL1111 -0.4588 6 C 1.6216 0.2592 0.0109 C.ar 1 UNL1111 -0.0797 7 C 0.2348 0.2245 0.1228 C.ar 1 UNL1111 -0.1404 8 C -0.4206 -1.0145 0.1456 C.ar 1 UNL1111 0.2150 9 C 0.3257 -2.2065 0.0731 C.ar 1 UNL1111 -0.2134 10 C 1.7114 -2.1568 -0.0228 C.ar 1 UNL1111 -0.1132 11 C 2.3518 -0.9223 -0.0531 C.ar 1 UNL1111 -0.0376 12 N -1.8174 -1.1506 0.2959 N.pl3 1 UNL1111 -0.4693 13 C -2.7791 -0.2212 -0.0451 C.ar 1 UNL1111 0.4589 14 C -4.1509 -0.5344 0.1539 C.ar 1 UNL1111 -0.3049 15 C -4.9310 -1.6235 0.6523 C.ar 1 UNL1111 -0.1865 16 C -6.2608 -1.2509 0.5655 C.ar 1 UNL1111 -0.0425 17 N -6.3588 0.0442 0.0268 N.ar 1 UNL1111 -0.3416 18 C -5.0780 0.4930 -0.2297 C.ar 1 UNL1111 0.3041 19 N -4.7241 1.6985 -0.7575 N.ar 1 UNL1111 -0.4985 20 C -3.4029 1.8739 -0.8986 C.ar 1 UNL1111 0.2948 21 N -2.4288 0.9781 -0.5667 N.ar 1 UNL1111 -0.5583 22 H -7.1968 0.5559 -0.1464 H 1 UNL1111 0.3295 23 H 2.4753 3.8001 2.2734 H 1 UNL1111 0.1470 24 H 3.7752 3.4717 1.0584 H 1 UNL1111 0.1415 25 H 2.2129 4.1873 0.5240 H 1 UNL1111 0.1409 26 H -0.3296 1.1628 0.1927 H 1 UNL1111 0.2156 27 H -0.1763 -3.1723 0.0851 H 1 UNL1111 0.1627 28 H 2.2805 -3.0869 -0.0766 H 1 UNL1111 0.1710 29 H -2.1570 -2.0655 0.5853 H 1 UNL1111 0.3217 30 H -4.5499 -2.5502 1.0252 H 1 UNL1111 0.1651 31 H -7.1448 -1.7960 0.8413 H 1 UNL1111 0.1750 32 H -3.0526 2.8303 -1.3251 H 1 UNL1111 0.2034 @BOND 1 1 11 1 2 2 23 1 3 2 24 1 4 2 25 1 5 3 2 1 6 4 3 1 7 5 4 2 8 6 4 1 9 6 7 ar 10 7 26 1 11 8 7 ar 12 8 12 1 13 9 8 ar 14 9 27 1 15 10 9 ar 16 10 11 ar 17 10 28 1 18 11 6 ar 19 12 29 1 20 13 12 1 21 13 14 ar 22 14 15 ar 23 15 30 1 24 16 15 ar 25 16 31 1 26 17 16 ar 27 18 14 ar 28 18 17 ar 29 19 18 ar 30 20 19 ar 31 20 21 ar 32 20 32 1 33 21 13 ar 34 22 17 1