@MOLECULE 2'-deoxy-5'-o-(hydroxy{[(2r,3r,5s)-3-(hydroxymethyl)-5-(5-methyl-2,4-dioxo-3,4-dihydro-1(2h)-pyrimidinyl)tetrahydro-2-furanyl]oxy}phosphoryl)adenosine 64 68 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 C 5.1949 -1.3672 0.0437 C.3 1 UNL1 0.3080 2 C -3.8579 0.9576 -0.9113 C.3 1 UNL1 0.3459 3 C -2.8900 -1.1455 -0.5506 C.3 1 UNL1 0.3634 4 C 3.0041 -2.1575 -0.2450 C.3 1 UNL1 0.0178 5 C -3.2789 -1.1225 -2.0506 C.3 1 UNL1 -0.2371 6 C 3.3152 -2.2995 1.2635 C.3 1 UNL1 0.1322 7 C 4.3961 0.9889 0.7884 C.ar 1 UNL1 0.1339 8 C 8.4316 1.4465 -1.0298 C.ar 1 UNL1 0.3005 9 C 1.7992 -1.2584 -0.5790 C.3 1 UNL1 -0.0454 10 C -4.0935 -2.3679 -2.3973 C.3 1 UNL1 -0.0055 11 C -6.8426 0.8607 3.1023 C.3 1 UNL1 -0.4016 12 H 2.1022 -3.7893 1.6935 H 1 UNL1 0.3312 13 H -2.4634 -3.4630 -2.0965 H 1 UNL1 0.3226 14 H -8.0146 2.7986 -0.9021 H 1 UNL1 0.3462 15 H 7.6441 5.1462 -0.1463 H 1 UNL1 0.3240 16 H 6.0865 4.8201 0.5315 H 1 UNL1 0.3279 17 C 7.0804 3.1682 -0.1687 C.ar 1 UNL1 0.4658 18 O -0.3576 -0.2906 1.5221 O.2 1 UNL1 -0.2002 19 O -5.8810 2.3082 -2.1455 O.2 1 UNL1 -0.5330 20 O -8.7074 2.2424 1.3959 O.2 1 UNL1 -0.4724 21 C 4.8335 -2.0850 1.3521 C.3 1 UNL1 -0.3770 22 C -4.0454 0.1863 -2.2353 C.3 1 UNL1 -0.3358 23 O 3.0702 -3.6226 1.6842 O.3 1 UNL1 -0.5509 24 O -1.0152 -2.7437 1.4574 O.3 1 UNL1 -0.3174 25 O -3.4296 -3.5331 -1.9511 O.3 1 UNL1 -0.5534 26 O -1.4983 -1.3575 -0.6120 O.3 1 UNL1 -0.3550 27 O 0.6974 -2.0764 -0.1264 O.3 1 UNL1 -0.2805 28 C -6.1133 1.9773 -0.9992 C.ar 1 UNL1 0.6984 29 C -6.5641 1.2076 1.6872 C.ar 1 UNL1 -0.2538 30 C -7.6205 1.9195 0.9804 C.ar 1 UNL1 0.6048 31 H -1.2314 -3.4923 0.7897 H 1 UNL1 0.3135 32 O 4.1368 -1.5638 -0.8728 O.3 1 UNL1 -0.4060 33 O -3.1457 0.1491 -0.0159 O.3 1 UNL1 -0.4513 34 N 6.9246 4.4917 0.0921 N.pl3 1 UNL1 -0.5515 35 C -5.3925 0.9041 1.0721 C.ar 1 UNL1 0.1304 36 N 4.8396 2.2417 0.7470 N.ar 1 UNL1 -0.3379 37 N 7.5760 0.4363 -0.7672 N.ar 1 UNL1 -0.5118 38 N 8.2434 2.7626 -0.7639 N.ar 1 UNL1 -0.5707 39 P -0.5424 -1.4431 0.6710 P.3 1 UNL1 0.3586 40 N -5.1673 1.2486 -0.2516 N.ar 1 UNL1 -0.5105 41 N -7.3165 2.2769 -0.3659 N.ar 1 UNL1 -0.6253 42 C 6.4184 0.8344 -0.1828 C.ar 1 UNL1 0.2950 43 C 6.0990 2.1942 0.1517 C.ar 1 UNL1 -0.2071 44 N 5.3373 0.0740 0.2440 N.ar 1 UNL1 -0.3847 45 H 6.1103 -1.7549 -0.4791 H 1 UNL1 0.1858 46 H -3.2850 1.9130 -1.0004 H 1 UNL1 0.1618 47 H -3.4438 -1.8661 0.0878 H 1 UNL1 0.1429 48 H 2.8985 -3.1602 -0.7208 H 1 UNL1 0.1628 49 H -2.3438 -1.1077 -2.6703 H 1 UNL1 0.1776 50 H 3.4465 0.6644 1.1880 H 1 UNL1 0.2012 51 H 2.7432 -1.6063 1.9122 H 1 UNL1 0.1393 52 H 5.3514 -3.0642 1.4260 H 1 UNL1 0.1914 53 H 5.1343 -1.5263 2.2525 H 1 UNL1 0.1752 54 H -5.1132 0.0166 -2.4729 H 1 UNL1 0.1807 55 H -3.6680 0.7820 -3.0868 H 1 UNL1 0.1753 56 H -4.5719 0.3783 1.5883 H 1 UNL1 0.2020 57 H 1.9043 -0.2464 -0.1458 H 1 UNL1 0.1472 58 H 1.6745 -1.1521 -1.6785 H 1 UNL1 0.1493 59 H 9.3891 1.1790 -1.5115 H 1 UNL1 0.2022 60 H -5.0655 -2.4140 -1.8690 H 1 UNL1 0.1482 61 H -4.2649 -2.4605 -3.4854 H 1 UNL1 0.1285 62 H -7.0251 1.7679 3.7039 H 1 UNL1 0.1676 63 H -7.7548 0.2466 3.1908 H 1 UNL1 0.1666 64 H -6.0247 0.3079 3.5808 H 1 UNL1 0.1493 @BOND 1 61 10 1 2 55 22 1 3 49 5 1 4 54 22 1 5 10 5 1 6 10 25 1 7 10 60 1 8 22 5 1 9 22 2 1 10 19 28 2 11 13 25 1 12 5 3 1 13 58 9 1 14 59 8 1 15 8 37 ar 16 8 38 ar 17 46 2 1 18 28 41 ar 19 28 40 ar 20 2 40 1 21 2 33 1 22 14 41 1 23 32 4 1 24 32 1 1 25 37 42 ar 26 38 17 ar 27 48 4 1 28 26 3 1 29 26 39 1 30 9 4 1 31 9 57 1 32 9 27 1 33 3 33 1 34 3 47 1 35 45 1 1 36 41 30 ar 37 40 35 ar 38 4 6 1 39 42 43 ar 40 42 44 ar 41 17 34 1 42 17 43 ar 43 15 34 1 44 27 39 1 45 1 44 1 46 1 21 1 47 34 16 1 48 43 36 ar 49 44 7 ar 50 39 24 1 51 39 18 2 52 36 7 ar 53 7 50 1 54 31 24 1 55 30 20 2 56 30 29 ar 57 35 56 1 58 35 29 ar 59 6 21 1 60 6 23 1 61 6 51 1 62 21 52 1 63 21 53 1 64 23 12 1 65 29 11 1 66 11 63 1 67 11 64 1 68 11 62 1