@MOLECULE 4-amino-8-[(2r,4r,5r)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-6-methyl-pteridin-7-one 36 38 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O4* 1.6236 -1.0022 1.0726 O.3 1 UNL1 -0.4229 2 O3* 3.4963 0.1627 -1.3829 O.3 1 UNL1 -0.5771 3 O5* 4.9004 0.5140 0.8943 O.3 1 UNL1 -0.5517 4 O 1.2714 1.4156 -0.5463 O.2 1 UNL1 -0.5109 5 N -0.2001 -0.2957 -0.1680 N.ar 1 UNL1 -0.4631 6 N -2.2089 1.7223 0.0412 N.ar 1 UNL1 -0.2781 7 N -1.8794 -1.9668 -0.0222 N.ar 1 UNL1 -0.5598 8 N -4.2013 -1.3854 0.1687 N.ar 1 UNL1 -0.5691 9 N -4.9165 0.8280 0.2331 N.pl3 1 UNL1 -0.5266 10 C1* 0.8341 -1.3612 -0.0371 C.3 1 UNL1 0.3136 11 C3* 3.1345 -1.0622 -0.8046 C.3 1 UNL1 0.1423 12 C2* 1.7317 -1.4941 -1.2729 C.3 1 UNL1 -0.3984 13 C4* 3.0115 -0.9660 0.7362 C.3 1 UNL1 0.0114 14 C5* 3.5760 0.3303 1.3369 C.3 1 UNL1 -0.0169 15 C -1.5407 -0.6468 -0.0402 C.ar 1 UNL1 0.4066 16 C 0.1431 1.0695 -0.2791 C.ar 1 UNL1 0.5576 17 C -2.5238 0.3782 0.0406 C.ar 1 UNL1 -0.2494 18 C -0.9666 2.0619 -0.0996 C.ar 1 UNL1 0.0872 19 C -3.8904 -0.0508 0.1496 C.ar 1 UNL1 0.4774 20 C -0.5498 3.4873 -0.0897 C.3 1 UNL1 -0.4185 21 C -3.1908 -2.2701 0.0835 C.ar 1 UNL1 0.3367 22 H1* 0.3324 -2.3232 0.2596 H 1 UNL1 0.1868 23 H3* 3.9451 -1.7440 -1.1327 H 1 UNL1 0.1488 24 H2*1 1.3925 -0.8664 -2.1186 H 1 UNL1 0.1862 25 H2*2 1.7265 -2.5284 -1.6555 H 1 UNL1 0.1691 26 H4* 3.4480 -1.8611 1.2296 H 1 UNL1 0.1440 27 H5*1 3.6661 0.2660 2.4366 H 1 UNL1 0.1451 28 H5*2 2.9598 1.2095 1.0735 H 1 UNL1 0.1396 29 H3* 2.7782 0.8215 -1.2108 H 1 UNL1 0.3596 30 H5* 4.8959 0.6221 -0.0879 H 1 UNL1 0.3392 31 H 0.0374 3.7387 -0.9899 H 1 UNL1 0.1798 32 H 0.0932 3.7068 0.7798 H 1 UNL1 0.1775 33 H -1.4105 4.1731 -0.0474 H 1 UNL1 0.1736 34 H -3.4560 -3.3434 0.0988 H 1 UNL1 0.2032 35 H -4.7315 1.8163 0.2337 H 1 UNL1 0.3332 36 H -5.8626 0.5064 0.3129 H 1 UNL1 0.3241 @BOND 1 24 12 1 2 25 12 1 3 2 29 1 4 2 11 1 5 12 11 1 6 12 10 1 7 23 11 1 8 31 20 1 9 11 13 1 10 4 16 2 11 16 5 ar 12 16 18 ar 13 5 15 ar 14 5 10 1 15 18 20 1 16 18 6 ar 17 20 33 1 18 20 32 1 19 30 3 1 20 15 7 ar 21 15 17 ar 22 10 22 1 23 10 1 1 24 7 21 ar 25 17 6 ar 26 17 19 ar 27 21 34 1 28 21 8 ar 29 19 8 ar 30 19 9 1 31 9 35 1 32 9 36 1 33 13 1 1 34 13 26 1 35 13 14 1 36 3 14 1 37 28 14 1 38 14 27 1