@MOLECULE 5'-deoxy-5'-(dimethylamino)-8-methyladenosine 43 44 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O 1.4850 0.5425 0.3569 O.3 1 UNL1 -0.3731 2 O 4.3074 -0.5571 -0.1866 O.3 1 UNL1 -0.5466 3 O 2.7630 -2.6628 0.0981 O.3 1 UNL1 -0.5458 4 N 0.7625 3.3654 0.8382 N.3 1 UNL1 -0.5170 5 N -0.1725 -1.1125 0.2817 N.ar 1 UNL1 -0.4063 6 N -2.1215 -2.2881 0.4847 N.ar 1 UNL1 -0.3672 7 N -1.1599 1.0401 -0.5254 N.ar 1 UNL1 -0.5197 8 N -3.5657 0.9371 -0.7728 N.ar 1 UNL1 -0.5645 9 N -4.8257 -0.9736 -0.2903 N.pl3 1 UNL1 -0.5559 10 C 2.3709 0.8255 -0.7417 C.3 1 UNL1 0.0593 11 C 3.1523 -0.4824 -0.9858 C.3 1 UNL1 0.0591 12 C 2.1521 -1.5790 -0.5363 C.3 1 UNL1 0.0436 13 C 1.2468 -0.8307 0.4948 C.3 1 UNL1 0.2437 14 C 1.6684 1.2887 -1.9338 C.3 1 UNL1 -0.3343 15 C -1.1882 -0.2523 -0.1105 C.ar 1 UNL1 0.3154 16 C -0.8043 -2.3396 0.6681 C.ar 1 UNL1 0.2933 17 C 0.1399 4.4817 0.0958 C.3 1 UNL1 -0.2707 18 C 0.4310 3.4320 2.2773 C.3 1 UNL1 -0.2702 19 C -2.4048 -1.0128 0.0047 C.ar 1 UNL1 -0.2036 20 C -0.0462 -3.4865 1.1971 C.3 1 UNL1 -0.4432 21 C -3.6135 -0.3628 -0.3509 C.ar 1 UNL1 0.4653 22 C -2.3650 1.5591 -0.8380 C.ar 1 UNL1 0.2836 23 H 3.0060 1.6491 -0.3110 H 1 UNL1 0.1888 24 H 3.5348 -0.6170 -2.0146 H 1 UNL1 0.1680 25 H 1.5744 -2.0147 -1.3779 H 1 UNL1 0.1684 26 H 1.5061 -1.0800 1.5575 H 1 UNL1 0.1622 27 H 0.6217 1.5185 -1.8937 H 1 UNL1 0.1892 28 H 2.1839 1.4668 -2.8481 H 1 UNL1 0.1460 29 H 0.4433 2.4690 0.4547 H 1 UNL1 0.2822 30 H 4.1565 -0.1370 0.6917 H 1 UNL1 0.3305 31 H 3.7131 -2.4630 0.2931 H 1 UNL1 0.3461 32 H 0.8999 2.5706 2.7819 H 1 UNL1 0.1387 33 H -0.9576 4.5152 0.1623 H 1 UNL1 0.1118 34 H 0.4225 4.3923 -0.9657 H 1 UNL1 0.1376 35 H -0.6473 3.4143 2.4954 H 1 UNL1 0.1148 36 H 0.8608 4.3481 2.7113 H 1 UNL1 0.1347 37 H 0.5412 5.4374 0.4683 H 1 UNL1 0.1352 38 H 0.7994 -3.7730 0.5450 H 1 UNL1 0.1931 39 H 0.3683 -3.2809 2.1975 H 1 UNL1 0.1737 40 H -0.6949 -4.3764 1.2927 H 1 UNL1 0.1886 41 H -2.3796 2.6075 -1.1832 H 1 UNL1 0.1958 42 H -4.8929 -1.9165 0.0409 H 1 UNL1 0.3275 43 H -5.6594 -0.4758 -0.5346 H 1 UNL1 0.3222 @BOND 1 28 14 1 2 24 11 1 3 14 27 1 4 14 10 1 5 25 12 1 6 41 22 1 7 11 10 1 8 11 12 1 9 11 2 1 10 34 17 1 11 22 8 ar 12 22 7 ar 13 8 21 ar 14 10 23 1 15 10 1 1 16 12 3 1 17 12 13 1 18 43 9 1 19 7 15 ar 20 21 9 1 21 21 19 ar 22 9 42 1 23 2 30 1 24 15 19 ar 25 15 5 ar 26 19 6 ar 27 17 33 1 28 17 37 1 29 17 4 1 30 3 31 1 31 5 13 1 32 5 16 ar 33 1 13 1 34 29 4 1 35 6 16 ar 36 13 26 1 37 38 20 1 38 16 20 1 39 4 18 1 40 20 40 1 41 20 39 1 42 18 35 1 43 18 36 1 44 18 32 1