@MOLECULE 3-(2-deoxy-alpha-d-erythro-pentofuranosyl)-4,6-dimethyl-3,4-dihydro-9h-imidazo[1,2-a]purin-9-one 40 43 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O4* 3.2010 -0.0800 0.9753 O.3 1 UNL1 -0.4220 2 O3* 4.0129 -2.5869 -1.0374 O.3 1 UNL1 -0.5460 3 O5* 5.0822 1.7276 -0.2200 O.3 1 UNL1 -0.5181 4 O -2.7768 2.8789 -0.5166 O.2 1 UNL1 -0.3721 5 N 0.9541 0.3882 0.7355 N.ar 1 UNL1 -0.3751 6 N -1.1816 -0.8960 0.4842 N.ar 1 UNL1 -0.3246 7 N -2.9969 0.6308 -0.2403 N.ar 1 UNL1 -0.4103 8 N 0.1939 2.4564 0.1940 N.ar 1 UNL1 -0.2659 9 N -3.5100 -1.5641 0.0562 N.ar 1 UNL1 -0.4307 10 C1* 1.9362 -0.6887 0.9621 C.3 1 UNL1 0.3213 11 C2* 1.9167 -1.7372 -0.1623 C.3 1 UNL1 -0.4066 12 C3* 3.1774 -1.4524 -0.9979 C.3 1 UNL1 0.1233 13 C4* 3.9671 -0.4057 -0.1898 C.3 1 UNL1 0.0337 14 C -0.4075 0.2667 0.5015 C.ar 1 UNL1 0.2290 15 C5* 4.2277 0.8886 -0.9625 C.3 1 UNL1 -0.0494 16 C -0.8655 1.5634 0.1485 C.ar 1 UNL1 -0.1834 17 C 1.2709 1.7605 0.5455 C.ar 1 UNL1 0.1006 18 C -2.5310 -0.6506 0.1445 C.ar 1 UNL1 0.3513 19 C -2.2313 1.8517 -0.2313 C.ar 1 UNL1 0.6216 20 C -0.9941 -1.8869 1.5612 C.3 1 UNL1 -0.2511 21 C -4.3478 0.4648 -0.5907 C.ar 1 UNL1 -0.1150 22 C -4.6460 -0.8793 -0.4027 C.ar 1 UNL1 0.1177 23 C -5.9222 -1.5865 -0.6051 C.3 1 UNL1 -0.4232 24 H1* 1.7992 -1.0941 1.9962 H 1 UNL1 0.1588 25 H2*1 1.9638 -2.7625 0.2541 H 1 UNL1 0.1816 26 H2*2 0.9958 -1.6970 -0.7738 H 1 UNL1 0.1908 27 H3* 2.9465 -1.1338 -2.0345 H 1 UNL1 0.1348 28 H4* 4.9134 -0.8321 0.2278 H 1 UNL1 0.1869 29 H5*1 3.2981 1.4349 -1.2072 H 1 UNL1 0.1370 30 H5*2 4.8029 0.7003 -1.8917 H 1 UNL1 0.1587 31 H 2.2631 2.1496 0.7072 H 1 UNL1 0.2045 32 H3* 3.6533 -3.2707 -1.6381 H 1 UNL1 0.3237 33 H -0.9817 -1.4313 2.5649 H 1 UNL1 0.1512 34 H -0.0625 -2.4479 1.3902 H 1 UNL1 0.1507 35 H -1.8238 -2.6295 1.5346 H 1 UNL1 0.2003 36 H -4.9438 1.2888 -0.9299 H 1 UNL1 0.1997 37 H5* 4.7067 1.8828 0.6741 H 1 UNL1 0.3179 38 H -5.7591 -2.6167 -0.9657 H 1 UNL1 0.1719 39 H -6.4835 -1.6700 0.3407 H 1 UNL1 0.1666 40 H -6.5683 -1.0764 -1.3338 H 1 UNL1 0.1599 @BOND 1 27 12 1 2 30 15 1 3 32 2 1 4 40 23 1 5 29 15 1 6 2 12 1 7 12 13 1 8 12 11 1 9 38 23 1 10 15 3 1 11 15 13 1 12 36 21 1 13 26 11 1 14 23 22 1 15 23 39 1 16 21 22 ar 17 21 7 ar 18 4 19 2 19 22 9 ar 20 7 19 ar 21 7 18 ar 22 19 16 ar 23 3 37 1 24 13 28 1 25 13 1 1 26 11 25 1 27 11 10 1 28 9 18 ar 29 18 6 ar 30 16 8 ar 31 16 14 ar 32 8 17 ar 33 6 14 ar 34 6 20 1 35 14 5 ar 36 17 31 1 37 17 5 ar 38 5 10 1 39 10 1 1 40 10 24 1 41 34 20 1 42 35 20 1 43 20 33 1