@MOLECULE (2r,3r,4r,5r)-5-({[{[{[(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxytetrahydro-2-furanyl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}methyl)-2-[3-(chloroacetyl)-1-pyridiniumyl]-4-hydroxytetrahydro-3-furanolate 72 75 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 CL 4.4499 -0.9902 0.4606 Cl 1 UNL1 -0.0982 2 P -3.1636 -1.1056 -1.6429 P.3 1 UNL1 0.3829 3 P -4.5818 0.3586 0.6435 P.3 1 UNL1 0.3814 4 O -0.1884 -3.5640 -0.6368 O.3 1 UNL1 -0.3716 5 O -1.0440 3.7190 1.6679 O.3 1 UNL1 -0.3234 6 O -0.3252 -5.4658 1.7074 O.3 1 UNL1 -0.5356 7 O 1.6966 -3.8452 2.2703 O.3 1 UNL1 -0.5068 8 O -2.1750 4.9884 -0.8364 O.3 1 UNL1 -0.5364 9 O -2.9029 -2.5133 -0.9176 O.3 1 UNL1 -0.2840 10 O 0.0730 3.8827 -1.7874 O.2 1 UNL1 -0.4936 11 O -3.7593 1.7087 0.7165 O.3 1 UNL1 -0.2039 12 O -4.2048 -0.3677 -0.6918 O.3 1 UNL1 -0.2599 13 O -4.1828 -1.5897 -2.7552 O.3 1 UNL1 -0.2355 14 O -3.9402 -0.5539 1.7939 O.3 1 UNL1 -0.4247 15 O -2.0516 -0.3284 -2.1369 O.2 1 UNL1 -0.2005 16 O -6.0090 0.6138 0.6635 O.2 1 UNL1 -0.2196 17 O 4.9248 2.5682 0.1665 O.2 1 UNL1 -0.4031 18 N 1.2542 -1.7767 -0.3419 N.ar 1 UNL1 -0.3597 19 N 1.0354 2.7027 1.5826 N.pl3 1 UNL1 0.1357 20 N 1.0436 0.4588 -0.7303 N.ar 1 UNL1 -0.3584 21 N 3.1243 -2.2458 -1.9125 N.ar 1 UNL1 -0.5180 22 N 3.9826 -0.2399 -2.9678 N.ar 1 UNL1 -0.5691 23 N 2.9985 1.8756 -2.7038 N.pl3 1 UNL1 -0.5383 24 C -0.6662 -4.1090 1.6042 C.3 1 UNL1 0.0371 25 C 0.6328 -3.2505 1.5992 C.3 1 UNL1 0.0349 26 C -1.2908 -3.7875 0.2300 C.3 1 UNL1 0.0043 27 C 0.9572 -3.1277 0.0785 C.3 1 UNL1 0.2180 28 C -2.0010 3.6043 -0.6658 C.3 1 UNL1 -0.0112 29 C -2.1145 3.2849 0.8322 C.3 1 UNL1 0.0377 30 C -0.7214 3.1011 -1.3191 C.2 1 UNL1 0.3412 31 C 0.2028 3.6427 1.1292 C.3 1 UNL1 -0.1765 32 C -2.2164 -2.5644 0.3413 C.3 1 UNL1 -0.0360 33 C -2.3565 1.7756 1.0696 C.3 1 UNL1 -0.0770 34 C 2.2006 -1.4531 -1.3106 C.ar 1 UNL1 0.3103 35 C 0.5598 -0.5745 -0.0498 C.ar 1 UNL1 0.1443 36 C 2.0752 -0.0407 -1.5210 C.ar 1 UNL1 -0.2017 37 C 2.3286 2.6298 1.0694 C.2 1 UNL1 -0.1449 38 C 0.6657 1.7818 2.5513 C.2 1 UNL1 -0.2368 39 C 3.2166 1.6606 1.5006 C.2 1 UNL1 -0.0486 40 C 1.5623 0.8269 3.0100 C.2 1 UNL1 -0.0668 41 C 3.0217 0.5548 -2.3998 C.ar 1 UNL1 0.4638 42 C 2.8550 0.7536 2.5015 C.3 1 UNL1 -0.2457 43 C 3.9812 -1.5698 -2.7146 C.ar 1 UNL1 0.3081 44 C 4.5415 1.6334 0.8267 C.2 1 UNL1 0.4433 45 C 5.4057 0.4072 0.9587 C.3 1 UNL1 -0.3084 46 H -1.3174 -3.9352 2.4801 H 1 UNL1 0.1613 47 H 0.5122 -2.2676 2.0996 H 1 UNL1 0.1595 48 H -1.8130 -4.6464 -0.2461 H 1 UNL1 0.1735 49 H 1.7928 -3.8076 -0.2487 H 1 UNL1 0.1960 50 H -2.8896 3.1645 -1.2008 H 1 UNL1 0.1916 51 H -2.9525 3.8932 1.2695 H 1 UNL1 0.1763 52 H -0.5700 2.0127 -1.3805 H 1 UNL1 0.1681 53 H 0.5021 4.4573 0.4938 H 1 UNL1 0.1931 54 H -1.6408 -1.6671 0.6415 H 1 UNL1 0.1350 55 H -3.0030 -2.7509 1.1099 H 1 UNL1 0.1385 56 H -1.6908 1.1541 0.4428 H 1 UNL1 0.1470 57 H -2.2021 1.5182 2.1358 H 1 UNL1 0.1354 58 H 0.0579 -5.7963 0.8616 H 1 UNL1 0.3315 59 H 1.5555 -4.8203 2.3642 H 1 UNL1 0.3353 60 H -0.2487 -0.5323 0.6646 H 1 UNL1 0.1908 61 H -1.3050 5.4361 -0.9572 H 1 UNL1 0.3338 62 H 2.6007 3.3516 0.2916 H 1 UNL1 0.2013 63 H -0.3371 1.8763 2.9696 H 1 UNL1 0.1857 64 H 1.2427 0.1292 3.7863 H 1 UNL1 0.1549 65 H 3.5475 0.0073 2.8769 H 1 UNL1 0.1706 66 H 4.7713 -2.1679 -3.2039 H 1 UNL1 0.2005 67 H -5.0279 -1.9702 -2.2921 H 1 UNL1 0.3137 68 H -4.6861 -0.9349 2.3715 H 1 UNL1 0.3196 69 H 3.7265 2.2857 -3.2589 H 1 UNL1 0.3263 70 H 2.2843 2.4654 -2.3071 H 1 UNL1 0.3378 71 H 5.7516 0.2428 1.9940 H 1 UNL1 0.1810 72 H 6.2904 0.4584 0.2928 H 1 UNL1 0.1928 @BOND 1 69 23 1 2 66 43 1 3 22 43 ar 4 22 41 ar 5 13 67 1 6 13 2 1 7 43 21 ar 8 23 41 1 9 23 70 1 10 41 36 ar 11 15 2 2 12 21 34 ar 13 10 30 2 14 2 9 1 15 2 12 1 16 36 34 ar 17 36 20 ar 18 52 30 1 19 30 28 1 20 34 18 ar 21 50 28 1 22 61 8 1 23 9 32 1 24 8 28 1 25 20 35 ar 26 12 3 1 27 28 29 1 28 4 27 1 29 4 26 1 30 18 35 ar 31 18 27 1 32 49 27 1 33 48 26 1 34 35 60 1 35 27 25 1 36 17 44 2 37 26 32 1 38 26 24 1 39 62 37 1 40 72 45 1 41 32 54 1 42 32 55 1 43 56 33 1 44 1 45 1 45 53 31 1 46 3 16 2 47 3 11 1 48 3 14 1 49 11 33 1 50 44 45 1 51 44 39 1 52 29 33 1 53 29 51 1 54 29 5 1 55 58 6 1 56 45 71 1 57 37 39 2 58 37 19 1 59 33 57 1 60 31 19 1 61 31 5 1 62 39 42 1 63 19 38 1 64 25 24 1 65 25 47 1 66 25 7 1 67 24 6 1 68 24 46 1 69 14 68 1 70 7 59 1 71 42 65 1 72 42 40 1 73 38 63 1 74 38 40 2 75 40 64 1