@MOLECULE 5'-o-(2-amino-2-oxoethyl)-8-(methylamino)adenosine 44 46 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O -1.0756 0.6022 0.5427 O.3 1 UNL1 -0.3633 2 O 0.4223 3.6460 -0.2252 O.3 1 UNL1 -0.5614 3 O -2.1742 3.4219 -0.2539 O.3 1 UNL1 -0.5493 4 O -3.1077 -0.9855 -1.3544 O.3 1 UNL1 -0.3418 5 O -4.4717 -0.1803 0.9154 O.2 1 UNL1 -0.5439 6 N 1.2609 0.5034 0.2636 N.ar 1 UNL1 -0.4456 7 N 3.5009 -0.0500 0.2823 N.ar 1 UNL1 -0.4328 8 N 2.8899 2.2520 0.8326 N.pl3 1 UNL1 -0.4786 9 N 0.3616 -1.7871 -0.1804 N.ar 1 UNL1 -0.5115 10 N 2.0982 -3.4599 -0.4091 N.ar 1 UNL1 -0.5620 11 N 4.3811 -2.9707 -0.2192 N.pl3 1 UNL1 -0.5612 12 N -4.6172 -2.3135 1.5830 N.am 1 UNL1 -0.7053 13 C -0.0442 2.4048 -0.6607 C.3 1 UNL1 0.0374 14 C 0.0993 1.3630 0.4971 C.3 1 UNL1 0.2437 15 C -1.5623 2.3774 -0.9733 C.3 1 UNL1 0.0632 16 C -2.0030 0.9942 -0.4809 C.3 1 UNL1 -0.0111 17 C -2.0455 -0.0744 -1.5689 C.3 1 UNL1 -0.0814 18 C 1.3350 -0.8683 0.0387 C.ar 1 UNL1 0.3187 19 C 2.6192 0.9484 0.4396 C.ar 1 UNL1 0.4251 20 C 2.7347 -1.1922 0.0405 C.ar 1 UNL1 -0.1833 21 C 3.0903 -2.5422 -0.1934 C.ar 1 UNL1 0.4524 22 C -2.9872 -1.7626 -0.1813 C.3 1 UNL1 -0.1422 23 C 4.2941 2.6697 0.6759 C.3 1 UNL1 -0.2314 24 C 0.8118 -3.0435 -0.3920 C.ar 1 UNL1 0.2742 25 C -4.0731 -1.3193 0.7864 C.2 1 UNL1 0.5825 26 H 0.5824 2.1586 -1.5433 H 1 UNL1 0.1639 27 H 0.1973 1.8351 1.5112 H 1 UNL1 0.1692 28 H -1.8030 2.6070 -2.0297 H 1 UNL1 0.1661 29 H -2.9837 1.0282 0.0697 H 1 UNL1 0.2131 30 H -2.3107 0.3350 -2.5620 H 1 UNL1 0.1475 31 H -1.0860 -0.6261 -1.6374 H 1 UNL1 0.1690 32 H -0.3319 4.2099 0.0903 H 1 UNL1 0.3595 33 H -2.5482 3.1011 0.5990 H 1 UNL1 0.3379 34 H 2.2084 2.9519 0.5286 H 1 UNL1 0.3179 35 H -3.1237 -2.8020 -0.5323 H 1 UNL1 0.1480 36 H -1.9840 -1.6730 0.3002 H 1 UNL1 0.2044 37 H 4.9604 1.9430 1.1823 H 1 UNL1 0.1739 38 H 4.4212 3.6512 1.1622 H 1 UNL1 0.1491 39 H 4.6119 2.7382 -0.3772 H 1 UNL1 0.1369 40 H 0.0485 -3.8187 -0.5735 H 1 UNL1 0.1925 41 H 5.1214 -2.3165 -0.0545 H 1 UNL1 0.3282 42 H 4.5969 -3.9327 -0.3830 H 1 UNL1 0.3215 43 H -5.3232 -2.0823 2.2527 H 1 UNL1 0.3093 44 H -4.3314 -3.2638 1.5428 H 1 UNL1 0.3011 @BOND 1 30 17 1 2 28 15 1 3 31 17 1 4 17 4 1 5 17 16 1 6 26 13 1 7 4 22 1 8 15 13 1 9 15 16 1 10 15 3 1 11 13 2 1 12 13 14 1 13 40 24 1 14 35 22 1 15 16 29 1 16 16 1 1 17 10 24 ar 18 10 21 ar 19 24 9 ar 20 42 11 1 21 39 23 1 22 3 33 1 23 2 32 1 24 11 21 1 25 11 41 1 26 21 20 ar 27 22 36 1 28 22 25 1 29 9 18 ar 30 18 20 ar 31 18 6 ar 32 20 7 ar 33 6 19 ar 34 6 14 1 35 7 19 ar 36 19 8 1 37 14 1 1 38 14 27 1 39 34 8 1 40 23 8 1 41 23 38 1 42 23 37 1 43 25 5 2 44 25 12 am 45 44 12 1 46 12 43 1