@MOLECULE 5'-o-[{[({[(4-formyl-5-hydroxy-6-methyl-3-pyridinyl)methoxy](hydroxy)phosphoryl}oxy)(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]adenosine 65 68 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 C 3.6600 2.1120 -0.2005 C.3 1 UNL1 0.2449 2 C 3.8625 1.4028 -1.5757 C.3 1 UNL1 0.0299 3 C 1.5338 1.8364 -1.1395 C.3 1 UNL1 0.0500 4 C 2.5311 1.6950 -2.3072 C.3 1 UNL1 0.0910 5 C 3.4691 0.8800 2.0781 C.ar 1 UNL1 0.1434 6 C 7.5686 0.1847 0.4763 C.ar 1 UNL1 0.3104 7 C -3.9378 1.5442 -0.7763 C.ar 1 UNL1 -0.0371 8 C 0.8865 0.5150 -0.6836 C.3 1 UNL1 -0.0659 9 C -4.5174 -0.8680 -0.8278 C.3 1 UNL1 -0.0427 10 C -4.9537 4.5232 1.1384 C.3 1 UNL1 -0.4339 11 H 5.7717 1.7744 -1.7875 H 1 UNL1 0.3700 12 H 3.4601 3.1996 -3.1876 H 1 UNL1 0.3444 13 H -7.1195 1.7610 2.5161 H 1 UNL1 0.3788 14 H 7.8240 -1.6977 3.8623 H 1 UNL1 0.3261 15 H 6.2001 -1.3604 4.3587 H 1 UNL1 0.3300 16 C 6.7160 -0.5914 2.5289 C.ar 1 UNL1 0.4687 17 C -4.7251 0.5106 -0.2736 C.ar 1 UNL1 -0.0365 18 C -5.6423 0.7955 0.7571 C.ar 1 UNL1 -0.3050 19 C -5.7255 2.1174 1.2042 C.ar 1 UNL1 0.2628 20 C -4.8735 3.1238 0.6423 C.ar 1 UNL1 0.1190 21 O -1.5717 -0.6111 -3.4013 O.2 1 UNL1 -0.1944 22 O -0.6775 -4.5813 -1.0048 O.2 1 UNL1 -0.1559 23 O -3.5223 -2.2627 1.9956 O.2 1 UNL1 -0.2080 24 O -7.2912 0.0408 2.2428 O.2 1 UNL1 -0.4916 25 O 4.9229 1.9963 -2.2660 O.3 1 UNL1 -0.5539 26 O 2.5357 2.9311 -2.9790 O.3 1 UNL1 -0.5438 27 O 0.9947 -1.0543 -3.1065 O.3 1 UNL1 -0.3980 28 O 0.8552 -2.9915 0.2031 O.3 1 UNL1 -0.3354 29 O -1.8906 -0.4247 1.3931 O.3 1 UNL1 -0.3658 30 O -6.5638 2.5399 2.1554 O.3 1 UNL1 -0.4527 31 O -0.2858 0.3412 -1.4910 O.3 1 UNL1 -0.2355 32 O -0.7456 -2.1635 -1.6617 O.3 1 UNL1 -0.2675 33 O -1.6294 -2.8356 0.5511 O.3 1 UNL1 -0.1429 34 O -3.2137 -1.3807 -0.5324 O.3 1 UNL1 -0.2226 35 H 1.0469 -1.9454 -3.6048 H 1 UNL1 0.3305 36 H 0.8624 -2.1031 0.7077 H 1 UNL1 0.3142 37 H -1.5998 0.1085 0.5636 H 1 UNL1 0.3311 38 C -6.4644 -0.2412 1.3943 C.2 1 UNL1 0.3949 39 O 2.2829 2.3091 -0.0054 O.3 1 UNL1 -0.4223 40 N 6.9317 -1.2790 3.6770 N.pl3 1 UNL1 -0.5415 41 N 4.2510 0.1455 2.8675 N.ar 1 UNL1 -0.3420 42 N 6.4454 0.8207 0.0767 N.ar 1 UNL1 -0.5537 43 N 7.7461 -0.4975 1.6317 N.ar 1 UNL1 -0.5675 44 P -0.4706 -0.8794 -2.5031 P.3 1 UNL1 0.3997 45 P -0.5305 -3.2285 -0.5241 P.3 1 UNL1 0.4029 46 P -2.6929 -1.7177 0.9411 P.3 1 UNL1 0.3705 47 C 5.4208 0.7363 0.9676 C.ar 1 UNL1 0.2716 48 C 5.4777 0.0334 2.2167 C.ar 1 UNL1 -0.1953 49 N -4.0073 2.8193 -0.3194 N.ar 1 UNL1 -0.3312 50 N 4.1415 1.2646 0.8917 N.ar 1 UNL1 -0.3862 51 H 4.1427 3.1211 -0.1419 H 1 UNL1 0.1764 52 H 4.0501 0.3123 -1.4758 H 1 UNL1 0.1518 53 H 0.7849 2.6389 -1.3287 H 1 UNL1 0.1856 54 H 2.2668 0.9280 -3.0635 H 1 UNL1 0.1747 55 H 2.4486 1.1791 2.2768 H 1 UNL1 0.2117 56 H 1.6294 -0.3046 -0.6596 H 1 UNL1 0.1406 57 H 0.4697 0.6365 0.3443 H 1 UNL1 0.1419 58 H 8.4369 0.2231 -0.2064 H 1 UNL1 0.2035 59 H -5.3261 -1.5807 -0.5761 H 1 UNL1 0.1290 60 H -4.4307 -0.8471 -1.9465 H 1 UNL1 0.1668 61 H -3.2031 1.3771 -1.5771 H 1 UNL1 0.2009 62 H -6.3323 -1.2936 1.1060 H 1 UNL1 0.1411 63 H -5.9099 4.9899 0.8526 H 1 UNL1 0.1720 64 H -4.8966 4.5625 2.2383 H 1 UNL1 0.1731 65 H -4.1444 5.1527 0.7356 H 1 UNL1 0.1748 @BOND 1 35 27 1 2 21 44 2 3 12 26 1 4 27 44 1 5 54 4 1 6 26 4 1 7 44 32 1 8 44 31 1 9 4 2 1 10 4 3 1 11 25 11 1 12 25 2 1 13 60 9 1 14 32 45 1 15 61 7 1 16 2 52 1 17 2 1 1 18 31 8 1 19 53 3 1 20 3 8 1 21 3 39 1 22 22 45 2 23 9 59 1 24 9 34 1 25 9 17 1 26 7 49 ar 27 7 17 ar 28 8 56 1 29 8 57 1 30 34 46 1 31 45 28 1 32 45 33 1 33 49 20 ar 34 17 18 ar 35 58 6 1 36 1 51 1 37 1 39 1 38 1 50 1 39 42 6 ar 40 42 47 ar 41 28 36 1 42 6 43 ar 43 33 46 1 44 37 29 1 45 20 10 1 46 20 19 ar 47 65 10 1 48 18 19 ar 49 18 38 1 50 63 10 1 51 50 47 ar 52 50 5 ar 53 46 29 1 54 46 23 2 55 47 48 ar 56 62 38 1 57 10 64 1 58 19 30 1 59 38 24 2 60 43 16 ar 61 5 55 1 62 5 41 ar 63 30 13 1 64 48 16 ar 65 48 41 ar 66 16 40 1 67 40 14 1 68 40 15 1