@MOLECULE (1s,2r,3s,5r)-3-amino-5-(4-amino-5-bromo-7h-pyrrolo[2,3-d]pyrimidin-7-yl)-1,2-cyclopentanediol 33 35 0 0 0 SMALL GASTEIGER @ATOM 1 BR 2.6301 1.9561 0.1990 Br 1 UNL1111 -0.0093 2 O -3.2654 -0.7070 2.0708 O.3 1 UNL1111 -0.5313 3 O -5.1897 -0.0681 0.3962 O.3 1 UNL1111 -0.5430 4 N -0.6389 -0.4563 0.0384 N.ar 1 UNL1111 -0.2668 5 N -2.9720 2.0867 -1.4941 N.3 1 UNL1111 -0.6474 6 N 0.1391 -2.7675 -0.2234 N.ar 1 UNL1111 -0.5203 7 N 2.5373 -3.0133 -0.2656 N.ar 1 UNL1111 -0.5827 8 N 4.0379 -1.2586 -0.1270 N.pl3 1 UNL1111 -0.5672 9 C -2.0690 -0.7286 -0.0059 C.3 1 UNL1111 0.0347 10 C -2.8634 0.1320 1.0239 C.3 1 UNL1111 0.0692 11 C -2.6532 -0.4189 -1.4052 C.3 1 UNL1111 -0.3718 12 C -3.6098 0.7852 -1.2464 C.3 1 UNL1111 0.0078 13 C -4.0513 0.7447 0.2430 C.3 1 UNL1111 0.0816 14 C 0.3385 -1.4276 -0.0866 C.ar 1 UNL1111 0.3193 15 C -0.0062 0.7927 0.1387 C.ar 1 UNL1111 -0.0707 16 C 1.6282 -0.7888 -0.0464 C.ar 1 UNL1111 -0.3216 17 C 1.3637 0.6018 0.0936 C.ar 1 UNL1111 -0.0782 18 C 2.7395 -1.6678 -0.1429 C.ar 1 UNL1111 0.4810 19 C 1.2681 -3.4929 -0.3000 C.ar 1 UNL1111 0.3077 20 H -2.2106 -1.8214 0.2509 H 1 UNL1111 0.2023 21 H -2.2345 0.9065 1.5124 H 1 UNL1111 0.1576 22 H -1.8593 -0.2193 -2.1456 H 1 UNL1111 0.1693 23 H -3.1848 -1.3015 -1.8001 H 1 UNL1111 0.1606 24 H -4.5072 0.6837 -1.9033 H 1 UNL1111 0.1528 25 H -4.3840 1.7299 0.6293 H 1 UNL1111 0.1753 26 H -3.0686 2.3913 -2.4478 H 1 UNL1111 0.2591 27 H -1.9957 2.0796 -1.2459 H 1 UNL1111 0.2558 28 H -0.5648 1.7032 0.2563 H 1 UNL1111 0.1831 29 H -4.2449 -0.8282 2.0691 H 1 UNL1111 0.3345 30 H -5.0695 -0.9367 -0.0449 H 1 UNL1111 0.3180 31 H 1.1624 -4.5868 -0.4020 H 1 UNL1111 0.1981 32 H 4.7746 -1.9378 -0.1892 H 1 UNL1111 0.3242 33 H 4.2875 -0.3009 -0.0206 H 1 UNL1111 0.3182 @BOND 1 1 17 1 2 2 10 1 3 2 29 1 4 3 13 1 5 3 30 1 6 4 9 1 7 4 14 ar 8 4 15 ar 9 5 12 1 10 5 26 1 11 5 27 1 12 6 14 ar 13 6 19 ar 14 7 18 ar 15 7 19 ar 16 8 18 1 17 8 32 1 18 8 33 1 19 9 10 1 20 9 11 1 21 9 20 1 22 10 13 1 23 10 21 1 24 11 12 1 25 11 22 1 26 11 23 1 27 12 13 1 28 12 24 1 29 13 25 1 30 14 16 ar 31 15 17 ar 32 15 28 1 33 16 17 ar 34 16 18 ar 35 19 31 1