@MOLECULE 8-(2-amino-3-methyl-2,3-dihydro-1h-imidazo[4,5-f]quinolin-1-yl)-2'-deoxyguanosine 57 62 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O4* -2.5124 1.2626 1.6969 O.3 1 UNL1 -0.4238 2 O3* -1.1661 4.1644 2.0076 O.3 1 UNL1 -0.5409 3 O5* -4.4398 1.8249 -0.2737 O.3 1 UNL1 -0.5594 4 O -1.7282 -3.7749 -2.0983 O.2 1 UNL1 -0.3652 5 N -0.9827 -0.2728 0.8761 N.ar 1 UNL1 -0.3940 6 N 1.4497 -0.4605 1.0449 N.pl3 1 UNL1 -0.4697 7 N 3.5479 -1.2786 1.8640 N.pl3 1 UNL1 -0.4037 8 N 0.0224 -1.9067 -0.3725 N.ar 1 UNL1 -0.3070 9 N -3.3499 -0.8399 0.2806 N.ar 1 UNL1 -0.5203 10 N 1.5974 -2.7696 2.0598 N.3 1 UNL1 -0.6831 11 N -3.5181 -2.5297 -1.4437 N.ar 1 UNL1 -0.6092 12 N 3.7582 1.8422 -2.7312 N.ar 1 UNL1 -0.3592 13 N -5.3751 -1.1919 -0.8987 N.pl3 1 UNL1 -0.6186 14 C1* -1.1798 0.8317 1.8390 C.3 1 UNL1 0.3298 15 C2* -0.2706 2.0397 1.5840 C.3 1 UNL1 -0.3555 16 C3* -1.1921 3.1408 1.0374 C.3 1 UNL1 0.1247 17 C4* -2.5981 2.5024 0.9956 C.3 1 UNL1 0.0337 18 C 0.2431 -0.8986 0.4840 C.ar 1 UNL1 0.2934 19 C 2.0763 -1.4015 2.1021 C.3 1 UNL1 0.4011 20 C 2.5025 -0.0773 0.1625 C.ar 1 UNL1 0.0713 21 C -1.9749 -0.9816 0.2183 C.ar 1 UNL1 0.2448 22 C 3.7230 -0.5581 0.6573 C.ar 1 UNL1 0.0983 23 C5* -3.0967 2.2474 -0.4317 C.3 1 UNL1 -0.0509 24 C -1.3392 -1.9762 -0.5694 C.ar 1 UNL1 -0.1781 25 C 2.4489 0.7207 -0.9985 C.ar 1 UNL1 -0.0801 26 C 4.9468 -0.2362 0.0364 C.ar 1 UNL1 -0.1597 27 C 4.3551 -2.4943 2.0275 C.3 1 UNL1 -0.2453 28 C 3.6949 1.0523 -1.6052 C.ar 1 UNL1 0.1378 29 C 4.9262 0.5680 -1.0751 C.ar 1 UNL1 -0.1379 30 C -2.1269 -2.8579 -1.4372 C.ar 1 UNL1 0.6177 31 C 1.2611 1.1982 -1.6173 C.ar 1 UNL1 -0.0840 32 C -4.0406 -1.5885 -0.7090 C.ar 1 UNL1 0.5554 33 C 1.3454 1.9713 -2.7441 C.ar 1 UNL1 -0.2249 34 C 2.6373 2.2793 -3.2703 C.ar 1 UNL1 0.0571 35 H1* -1.1229 0.4110 2.8754 H 1 UNL1 0.1625 36 H2*1 0.5767 1.8257 0.9070 H 1 UNL1 0.1950 37 H2*2 0.2077 2.3808 2.5296 H 1 UNL1 0.2006 38 H3* -0.8553 3.5491 0.0650 H 1 UNL1 0.1304 39 H4* -3.3529 3.0668 1.5914 H 1 UNL1 0.1780 40 H 1.8486 -0.9275 3.0983 H 1 UNL1 0.1713 41 H5*1 -3.1188 3.1787 -1.0287 H 1 UNL1 0.1366 42 H5*2 -2.4974 1.4851 -0.9581 H 1 UNL1 0.1344 43 H3* -1.6021 4.9764 1.6825 H 1 UNL1 0.3169 44 H -3.7538 -0.0153 0.7333 H 1 UNL1 0.3635 45 H 5.8795 -0.6185 0.4464 H 1 UNL1 0.1695 46 H 4.0328 -3.0308 2.9395 H 1 UNL1 0.1668 47 H 5.4095 -2.1988 2.1657 H 1 UNL1 0.1482 48 H 4.2897 -3.1935 1.1782 H 1 UNL1 0.1407 49 H 1.7581 -3.2403 1.1744 H 1 UNL1 0.2907 50 H 0.6214 -2.8615 2.3029 H 1 UNL1 0.2796 51 H 5.8484 0.8534 -1.5876 H 1 UNL1 0.1810 52 H 0.2950 0.9232 -1.1972 H 1 UNL1 0.1595 53 H5* -4.6919 1.1660 -0.9570 H 1 UNL1 0.3358 54 H 0.4627 2.3421 -3.2548 H 1 UNL1 0.1630 55 H 2.7343 2.9012 -4.1684 H 1 UNL1 0.1666 56 H -5.8850 -1.7624 -1.5699 H 1 UNL1 0.3186 57 H -5.9166 -0.9924 -0.0718 H 1 UNL1 0.2962 @BOND 1 55 34 1 2 34 33 ar 3 34 12 ar 4 54 33 1 5 33 31 ar 6 12 28 ar 7 4 30 2 8 31 52 1 9 31 25 ar 10 28 29 ar 11 28 25 ar 12 51 29 1 13 56 13 1 14 11 30 ar 15 11 32 ar 16 30 24 ar 17 29 26 ar 18 41 23 1 19 25 20 ar 20 42 23 1 21 53 3 1 22 13 32 1 23 13 57 1 24 32 9 ar 25 24 8 ar 26 24 21 ar 27 23 3 1 28 23 17 1 29 8 18 ar 30 26 45 1 31 26 22 ar 32 38 16 1 33 20 22 ar 34 20 6 1 35 21 9 ar 36 21 5 ar 37 9 44 1 38 18 5 ar 39 18 6 1 40 22 7 1 41 5 14 1 42 36 15 1 43 17 16 1 44 17 39 1 45 17 1 1 46 16 15 1 47 16 2 1 48 6 19 1 49 49 10 1 50 48 27 1 51 15 14 1 52 15 37 1 53 43 2 1 54 1 14 1 55 14 35 1 56 7 27 1 57 7 19 1 58 27 47 1 59 27 46 1 60 10 19 1 61 10 50 1 62 19 40 1