@MOLECULE 8-bromo-9-(2-deoxy-alpha-d-threo-pentofuranosyl)-9h-purin-6-amine 31 33 0 0 0 SMALL GASTEIGER @ATOM 1 BR -1.6652 2.6527 0.0227 Br 1 UNL11 0.0887 2 O4* 1.7519 0.7340 0.4884 O.3 1 UNL11 -0.4300 3 O3* 4.2493 0.0435 -1.3779 O.3 1 UNL11 -0.5516 4 O5* 3.5402 -0.1532 2.6839 O.3 1 UNL11 -0.5369 5 N -0.2764 0.1878 -0.4928 N.ar 1 UNL11 -0.3833 6 N -2.4291 -0.0244 0.2790 N.ar 1 UNL11 -0.3147 7 N 0.2668 -2.2443 -0.6374 N.ar 1 UNL11 -0.5300 8 N -1.5809 -3.6734 -0.0010 N.ar 1 UNL11 -0.5645 9 N -3.6569 -2.8592 0.7055 N.pl3 1 UNL11 -0.5406 10 C1* 1.0344 0.8128 -0.7173 C.3 1 UNL11 0.3138 11 C3* 3.0280 -0.5607 -1.0450 C.3 1 UNL11 0.1506 12 C2* 1.8535 0.0930 -1.8013 C.3 1 UNL11 -0.3951 13 C4* 2.6784 -0.3616 0.4454 C.3 1 UNL11 -0.0033 14 C5* 3.8504 0.0658 1.3249 C.3 1 UNL11 -0.0134 15 C -0.5312 -1.1800 -0.3700 C.ar 1 UNL11 0.3089 16 C -1.4627 0.8220 -0.0453 C.ar 1 UNL11 0.1813 17 C -1.8872 -1.2958 0.0930 C.ar 1 UNL11 -0.2109 18 C -2.3965 -2.6087 0.2734 C.ar 1 UNL11 0.4701 19 C -0.3190 -3.4453 -0.4320 C.ar 1 UNL11 0.3071 20 H1* 0.8981 1.9067 -0.8986 H 1 UNL11 0.1600 21 H3* 3.1962 -1.6244 -1.3187 H 1 UNL11 0.1703 22 H2*1 2.2146 0.7914 -2.5748 H 1 UNL11 0.1727 23 H2*2 1.2638 -0.6704 -2.3457 H 1 UNL11 0.1951 24 H4* 2.1529 -1.2507 0.8636 H 1 UNL11 0.1708 25 H5*1 4.1105 1.1306 1.1861 H 1 UNL11 0.1274 26 H5*2 4.7442 -0.5658 1.1527 H 1 UNL11 0.1611 27 H3* 4.2313 1.0088 -1.2211 H 1 UNL11 0.3175 28 H5* 2.6807 0.2677 2.9014 H 1 UNL11 0.3218 29 H 0.2978 -4.3399 -0.6344 H 1 UNL11 0.2026 30 H -4.2726 -2.0981 0.9239 H 1 UNL11 0.3300 31 H -3.9784 -3.8005 0.8264 H 1 UNL11 0.3245 @BOND 1 1 16 1 2 2 10 1 3 2 13 1 4 3 11 1 5 3 27 1 6 4 14 1 7 4 28 1 8 5 10 1 9 5 15 ar 10 5 16 ar 11 6 16 ar 12 6 17 ar 13 7 15 ar 14 7 19 ar 15 8 18 ar 16 8 19 ar 17 9 18 1 18 9 30 1 19 9 31 1 20 10 12 1 21 10 20 1 22 11 12 1 23 11 13 1 24 11 21 1 25 12 22 1 26 12 23 1 27 13 14 1 28 13 24 1 29 14 25 1 30 14 26 1 31 15 17 ar 32 17 18 ar 33 19 29 1