@MOLECULE [5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl [[5-(3-carbamoyl-4h-pyridin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] hydrogen phosphate 71 75 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 N -3.7788 0.8119 -1.0303 N.ar 1 UNL1 -0.4012 2 C -4.0022 2.1764 -0.8330 C.ar 1 UNL1 0.3180 3 C -4.8255 -0.1976 -1.0953 C.3 1 UNL1 0.2696 4 C -2.4013 0.5928 -0.7358 C.ar 1 UNL1 0.1338 5 C -2.7290 2.7351 -0.4749 C.ar 1 UNL1 -0.2310 6 N -5.1384 2.8970 -0.9657 N.ar 1 UNL1 -0.5175 7 O -5.2918 -0.4456 0.2129 O.3 1 UNL1 -0.4085 8 C -4.2863 -1.5434 -1.6507 C.3 1 UNL1 0.0242 9 N -1.7789 1.7190 -0.4228 N.ar 1 UNL1 -0.3508 10 C -2.6716 4.1368 -0.2496 C.ar 1 UNL1 0.4610 11 C -4.9787 4.2201 -0.7184 C.ar 1 UNL1 0.3053 12 C -4.7310 -1.6347 0.7637 C.3 1 UNL1 0.0170 13 C -4.2537 -2.4995 -0.4199 C.3 1 UNL1 0.0755 14 O -5.2563 -1.9525 -2.5827 O.3 1 UNL1 -0.5335 15 N -3.8385 4.8552 -0.3721 N.ar 1 UNL1 -0.5733 16 N -1.5399 4.8002 0.0664 N.pl3 1 UNL1 -0.5325 17 C -3.6704 -1.1932 1.7937 C.3 1 UNL1 -0.0384 18 O -5.1275 -3.5757 -0.6256 O.3 1 UNL1 -0.5427 19 O -2.5739 -2.1090 1.5907 O.3 1 UNL1 -0.3199 20 O 2.1950 -2.5295 0.3027 O.3 1 UNL1 -0.2809 21 C 3.3854 -2.9631 -0.3743 C.3 1 UNL1 -0.0231 22 C 4.1854 -1.6963 -0.6835 C.3 1 UNL1 0.0149 23 O 4.4606 -1.1149 0.6017 O.3 1 UNL1 -0.3872 24 C 5.5882 -1.9111 -1.2935 C.3 1 UNL1 0.0585 25 C 5.5322 -0.2118 0.4917 C.3 1 UNL1 0.2066 26 C 6.4009 -0.7054 -0.7175 C.3 1 UNL1 0.0311 27 O 5.5001 -1.9115 -2.6862 O.3 1 UNL1 -0.5328 28 N 4.9889 1.1383 0.2337 N.pl3 1 UNL1 -0.4486 29 O 6.5880 0.2482 -1.7217 O.3 1 UNL1 -0.5340 30 C 3.6240 1.3571 0.4676 C.2 1 UNL1 0.0778 31 C 5.8764 2.2261 0.4516 C.2 1 UNL1 -0.0238 32 C 3.1100 2.6027 0.5590 C.2 1 UNL1 -0.2426 33 C 5.4248 3.4866 0.5542 C.2 1 UNL1 -0.1997 34 C 3.9713 3.8256 0.5039 C.3 1 UNL1 -0.2312 35 C 1.6633 2.8746 0.6730 C.2 1 UNL1 0.6187 36 O 1.2066 4.0038 0.5165 O.2 1 UNL1 -0.6185 37 N 0.8070 1.8543 1.0095 N.am 1 UNL1 -0.6340 38 O -0.1137 -2.1215 0.9680 O.3 1 UNL1 0.0453 39 O -1.0083 -0.6277 3.0094 O.3 1 UNL1 -0.2363 40 O 0.3338 -0.9842 -0.3077 O.3 1 UNL1 -0.1344 41 P 0.7693 -2.4389 -0.3891 P.3 1 UNL1 0.3914 42 O 0.4233 -3.4263 -1.3723 O.2 1 UNL1 -0.2612 43 P -1.1551 -1.8399 2.2545 P.3 1 UNL1 0.3907 44 O -0.5037 -3.1873 2.3833 O.2 1 UNL1 -0.0783 45 H -5.7197 0.2082 -1.6441 H 1 UNL1 0.2048 46 H -1.9490 -0.3841 -0.8169 H 1 UNL1 0.2107 47 H -3.3109 -1.4647 -2.1702 H 1 UNL1 0.1531 48 H -5.8822 4.8495 -0.8088 H 1 UNL1 0.1993 49 H -5.5966 -2.1128 1.2780 H 1 UNL1 0.1598 50 H -3.2744 -3.0068 -0.2742 H 1 UNL1 0.1926 51 H -5.0811 -2.8807 -2.8687 H 1 UNL1 0.3359 52 H -0.6516 4.3120 0.1870 H 1 UNL1 0.3632 53 H -1.5607 5.7856 0.2499 H 1 UNL1 0.3219 54 H -4.0672 -1.3056 2.8238 H 1 UNL1 0.1371 55 H -3.4089 -0.1235 1.6338 H 1 UNL1 0.1609 56 H -6.0456 -3.2613 -0.8023 H 1 UNL1 0.3304 57 H 3.2660 -3.5893 -1.2810 H 1 UNL1 0.1525 58 H 3.8687 -3.5719 0.4272 H 1 UNL1 0.1515 59 H 3.6075 -0.9657 -1.2923 H 1 UNL1 0.1598 60 H 6.0365 -2.8891 -1.0296 H 1 UNL1 0.1482 61 H 6.0564 -0.2725 1.4732 H 1 UNL1 0.1513 62 H 7.4307 -0.9820 -0.4199 H 1 UNL1 0.1590 63 H 5.8797 -1.0755 -3.0590 H 1 UNL1 0.3439 64 H 5.8254 0.8826 -1.7598 H 1 UNL1 0.3488 65 H 3.0029 0.4507 0.5244 H 1 UNL1 0.1898 66 H 6.9356 1.9615 0.4658 H 1 UNL1 0.1606 67 H 6.1040 4.3264 0.6696 H 1 UNL1 0.1595 68 H 3.6981 4.5217 1.3317 H 1 UNL1 0.1695 69 H 3.7413 4.4029 -0.4247 H 1 UNL1 0.1719 70 H 1.0710 0.8938 0.9683 H 1 UNL1 0.3057 71 H -0.1872 2.0056 0.9007 H 1 UNL1 0.3348 @BOND 1 63 27 1 2 51 14 1 3 27 24 1 4 14 8 1 5 47 8 1 6 64 29 1 7 29 26 1 8 8 3 1 9 8 13 1 10 45 3 1 11 42 41 2 12 24 60 1 13 24 26 1 14 24 22 1 15 59 22 1 16 57 21 1 17 3 1 1 18 3 7 1 19 1 2 ar 20 1 4 ar 21 6 2 ar 22 6 11 ar 23 2 5 ar 24 46 4 1 25 48 11 1 26 56 18 1 27 4 9 ar 28 11 15 ar 29 26 62 1 30 26 25 1 31 22 21 1 32 22 23 1 33 18 13 1 34 5 9 ar 35 5 10 ar 36 69 34 1 37 13 50 1 38 13 12 1 39 41 40 1 40 41 20 1 41 41 38 1 42 21 20 1 43 21 58 1 44 15 10 ar 45 10 16 1 46 16 52 1 47 16 53 1 48 7 12 1 49 28 31 1 50 28 30 1 51 28 25 1 52 31 66 1 53 31 33 2 54 30 65 1 55 30 32 2 56 25 23 1 57 25 61 1 58 34 33 1 59 34 32 1 60 34 68 1 61 36 35 2 62 33 67 1 63 32 35 1 64 35 37 am 65 12 49 1 66 12 17 1 67 71 37 1 68 38 43 1 69 70 37 1 70 19 17 1 71 19 43 1 72 55 17 1 73 17 54 1 74 43 44 2 75 43 39 1