@MOLECULE 8-bromo-9-(2,3,5-tri-o-acetyl-beta-d-lyxofuranosyl)-9h-purin-6-amine 47 49 0 0 0 SMALL GASTEIGER @ATOM 1 BR -3.0164 2.4155 -0.9629 Br 1 UNL1111111111 0.0796 2 O 0.6017 -0.1769 -1.9046 O.3 1 UNL1111111111 -0.3600 3 O 0.6277 0.8208 0.9820 O.3 1 UNL1111111111 -0.4051 4 O 3.1179 1.0895 0.1867 O.3 1 UNL1111111111 -0.4291 5 O 2.3913 -2.3675 -1.6522 O.3 1 UNL1111111111 -0.4249 6 O 1.7473 2.3865 2.1556 O.2 1 UNL1111111111 -0.5235 7 O 4.0605 3.0814 -0.2838 O.2 1 UNL1111111111 -0.4970 8 O 2.0845 -3.8067 0.0573 O.2 1 UNL1111111111 -0.5363 9 N -1.2896 0.1507 -0.5749 N.ar 1 UNL1111111111 -0.3480 10 N -3.3731 -0.0197 0.3709 N.ar 1 UNL1111111111 -0.3098 11 N -0.3884 -2.0401 0.2225 N.ar 1 UNL1111111111 -0.5019 12 N -1.9790 -3.3075 1.5290 N.ar 1 UNL1111111111 -0.5699 13 N -4.1486 -2.5646 1.9845 N.pl3 1 UNL1111111111 -0.5545 14 C 0.7831 1.5328 -0.2264 C.3 1 UNL1111111111 0.0204 15 C 2.1775 1.2690 -0.8473 C.3 1 UNL1111111111 0.0327 16 C -0.1600 0.7964 -1.2306 C.3 1 UNL1111111111 0.2611 17 C 1.9966 -0.0725 -1.5926 C.3 1 UNL1111111111 0.0649 18 C 2.4507 -1.2610 -0.7506 C.3 1 UNL1111111111 -0.0447 19 C -1.3251 -1.0730 0.0893 C.ar 1 UNL1111111111 0.3397 20 C -2.5564 0.7408 -0.3425 C.ar 1 UNL1111111111 0.1599 21 C -2.6453 -1.1698 0.6647 C.ar 1 UNL1111111111 -0.2276 22 C 1.1865 1.3236 2.1183 C.2 1 UNL1111111111 0.6510 23 C 3.9772 2.1319 0.4452 C.2 1 UNL1111111111 0.6514 24 C -2.9428 -2.3487 1.3972 C.ar 1 UNL1111111111 0.4705 25 C 0.9436 0.3526 3.2188 C.3 1 UNL1111111111 -0.5117 26 C 2.0674 -3.5725 -1.1243 C.2 1 UNL1111111111 0.6589 27 C 4.7310 1.8328 1.6884 C.3 1 UNL1111111111 -0.5113 28 C -0.7696 -3.1110 0.9481 C.ar 1 UNL1111111111 0.2998 29 C 1.7407 -4.5214 -2.2284 C.3 1 UNL1111111111 -0.5123 30 H 0.5528 2.6033 -0.0763 H 1 UNL1111111111 0.1676 31 H 2.4850 2.0911 -1.5329 H 1 UNL1111111111 0.1714 32 H -0.5424 1.4783 -2.0366 H 1 UNL1111111111 0.1635 33 H 2.4670 -0.0895 -2.6020 H 1 UNL1111111111 0.1629 34 H 1.7933 -1.4228 0.1294 H 1 UNL1111111111 0.1938 35 H 3.4996 -1.1713 -0.4193 H 1 UNL1111111111 0.1419 36 H 1.2617 -0.6679 2.9376 H 1 UNL1111111111 0.2000 37 H -0.1299 0.2845 3.4629 H 1 UNL1111111111 0.1911 38 H 1.4826 0.6435 4.1327 H 1 UNL1111111111 0.1864 39 H 4.2039 2.2800 2.5551 H 1 UNL1111111111 0.2052 40 H 5.7402 2.2712 1.6554 H 1 UNL1111111111 0.1838 41 H 4.8250 0.7546 1.8876 H 1 UNL1111111111 0.1865 42 H -0.0146 -3.9131 1.0874 H 1 UNL1111111111 0.2240 43 H -4.8794 -1.8854 1.8922 H 1 UNL1111111111 0.3272 44 H -4.3274 -3.4132 2.4843 H 1 UNL1111111111 0.3226 45 H 0.6869 -4.3956 -2.5322 H 1 UNL1111111111 0.1917 46 H 1.8793 -5.5635 -1.9078 H 1 UNL1111111111 0.1788 47 H 2.3537 -4.3449 -3.1240 H 1 UNL1111111111 0.1792 @BOND 1 1 20 1 2 2 16 1 3 2 17 1 4 3 14 1 5 3 22 1 6 4 15 1 7 4 23 1 8 5 18 1 9 5 26 1 10 6 22 2 11 7 23 2 12 8 26 2 13 9 16 1 14 9 19 ar 15 9 20 ar 16 10 20 ar 17 10 21 ar 18 11 19 ar 19 11 28 ar 20 12 24 ar 21 12 28 ar 22 13 24 1 23 13 43 1 24 13 44 1 25 14 15 1 26 14 16 1 27 14 30 1 28 15 17 1 29 15 31 1 30 16 32 1 31 17 18 1 32 17 33 1 33 18 34 1 34 18 35 1 35 19 21 ar 36 21 24 ar 37 22 25 1 38 23 27 1 39 25 36 1 40 25 37 1 41 25 38 1 42 26 29 1 43 27 39 1 44 27 40 1 45 27 41 1 46 28 42 1 47 29 45 1 48 29 46 1 49 29 47 1