@MOLECULE 6-chloro-9-[5-o-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)-beta-d-ribofuranosyl]-9h-purine 45 47 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 C 3.0157 -1.3835 -0.7085 C.3 1 UNL1 0.2371 2 C 2.8160 -2.6056 0.2338 C.3 1 UNL1 0.0235 3 C 0.6834 -1.5577 -0.3819 C.3 1 UNL1 0.0306 4 C 1.2811 -2.8335 0.2620 C.3 1 UNL1 0.0939 5 C 3.4938 0.5146 0.9595 C.ar 1 UNL1 0.1596 6 C 7.0522 0.2345 -1.6947 C.ar 1 UNL1 0.2578 7 C -0.0747 -0.6206 0.5789 C.3 1 UNL1 -0.0384 8 H 4.3492 -3.5917 -0.5572 H 1 UNL1 0.3457 9 H 1.6183 -4.4377 -0.8575 H 1 UNL1 0.3419 10 C 6.6772 1.8104 -0.0163 C.ar 1 UNL1 0.2446 11 O -2.2834 -2.2745 1.9787 O.2 1 UNL1 -0.2126 12 O -5.3325 0.8658 2.4768 O.2 1 UNL1 -0.1186 13 O -7.3851 1.2681 -1.5157 O.2 1 UNL1 -0.1981 14 O 3.4074 -3.7564 -0.3141 O.3 1 UNL1 -0.5450 15 O 0.8497 -3.9298 -0.5009 O.3 1 UNL1 -0.5228 16 O -3.1296 -2.2446 -0.4393 O.3 1 UNL1 -0.2828 17 O -3.5133 2.1078 1.0966 O.3 1 UNL1 -0.3529 18 O -5.0235 0.4195 -2.3251 O.3 1 UNL1 -0.4278 19 O -5.3608 2.7773 -1.7567 O.3 1 UNL1 -0.2859 20 O -3.7360 -0.4167 1.0842 O.3 1 UNL1 -0.2949 21 O -1.4500 -0.5202 0.1882 O.3 1 UNL1 -0.3244 22 O -5.5576 0.9734 0.0786 O.3 1 UNL1 -0.1865 23 H -3.6182 -1.5786 -1.0523 H 1 UNL1 0.3180 24 H -2.6168 1.7339 0.7547 H 1 UNL1 0.3304 25 H -5.3225 -0.5473 -2.2569 H 1 UNL1 0.3202 26 H -4.3298 2.7396 -1.6970 H 1 UNL1 0.3132 27 CL 7.2059 3.1676 0.8347 Cl 1 UNL1 0.0506 28 O 1.7631 -0.7793 -0.9217 O.3 1 UNL1 -0.4221 29 N 4.4236 1.4350 1.1970 N.ar 1 UNL1 -0.3166 30 N 5.8995 -0.4363 -1.5164 N.ar 1 UNL1 -0.4437 31 N 7.4593 1.3362 -0.9863 N.ar 1 UNL1 -0.4424 32 P -2.6016 -1.4531 0.8275 P.3 1 UNL1 0.3836 33 P -4.5417 0.9197 1.2680 P.3 1 UNL1 0.4155 34 P -5.9435 1.3525 -1.4066 P.3 1 UNL1 0.3988 35 C 5.0996 0.0646 -0.5462 C.ar 1 UNL1 0.2444 36 C 5.4459 1.2052 0.2796 C.ar 1 UNL1 -0.1064 37 N 3.8632 -0.3717 -0.0846 N.ar 1 UNL1 -0.3778 38 H 3.4253 -1.6509 -1.7208 H 1 UNL1 0.1861 39 H 3.2439 -2.4447 1.2449 H 1 UNL1 0.1507 40 H 0.0635 -1.8215 -1.2725 H 1 UNL1 0.1888 41 H 0.8962 -3.0333 1.2837 H 1 UNL1 0.1618 42 H 2.5537 0.4117 1.4877 H 1 UNL1 0.2037 43 H 0.1014 -0.8716 1.6441 H 1 UNL1 0.1354 44 H 0.2508 0.4375 0.4078 H 1 UNL1 0.1486 45 H 7.7443 -0.1267 -2.4792 H 1 UNL1 0.2149 @BOND 1 45 6 1 2 18 25 1 3 18 34 1 4 19 26 1 5 19 34 1 6 38 1 1 7 6 30 ar 8 6 31 ar 9 30 35 ar 10 13 34 2 11 34 22 1 12 40 3 1 13 23 16 1 14 31 10 ar 15 28 1 1 16 28 3 1 17 9 15 1 18 1 37 1 19 1 2 1 20 8 14 1 21 35 37 ar 22 35 36 ar 23 15 4 1 24 16 32 1 25 3 4 1 26 3 7 1 27 14 2 1 28 37 5 ar 29 10 36 ar 30 10 27 1 31 22 33 1 32 21 7 1 33 21 32 1 34 2 4 1 35 2 39 1 36 4 41 1 37 36 29 ar 38 44 7 1 39 7 43 1 40 24 17 1 41 32 20 1 42 32 11 2 43 5 29 ar 44 5 42 1 45 20 33 1 46 17 33 1 47 33 12 2