@MOLECULE 2'-o-(5-o-phosphono-beta-d-ribofuranosyl)adenosine 5'-(dihydrogen phosphate) 59 62 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 C -1.0868 0.2423 -1.0676 C.3 1 UNL1 0.2697 2 C -0.8378 -0.9481 -0.0931 C.3 1 UNL1 0.0355 3 C -2.2539 -1.4686 0.2645 C.3 1 UNL1 0.0481 4 C -3.2218 -0.4595 -0.3863 C.3 1 UNL1 0.0249 5 C 0.5181 -2.9001 -0.1340 C.3 1 UNL1 0.2605 6 C 1.5326 -3.4950 -1.1450 C.3 1 UNL1 0.0224 7 C 2.9211 -3.2267 -0.4979 C.3 1 UNL1 0.0998 8 C 2.6054 -2.1936 0.6149 C.3 1 UNL1 0.0363 9 C -0.7989 2.3929 0.3349 C.ar 1 UNL1 0.1398 10 C 2.7829 2.0147 -2.2852 C.ar 1 UNL1 0.3077 11 C -4.1514 0.2612 0.6058 C.3 1 UNL1 -0.0137 12 C 2.7689 -0.7443 0.1343 C.3 1 UNL1 -0.0303 13 H -3.3136 -3.0777 -0.1556 H 1 UNL1 0.3205 14 H 0.5048 -5.0925 -1.6729 H 1 UNL1 0.3282 15 H 2.8275 -4.9932 0.3854 H 1 UNL1 0.3323 16 H 3.6801 5.2569 -0.3523 H 1 UNL1 0.3252 17 H 2.2401 5.2841 0.6045 H 1 UNL1 0.3275 18 C 2.3668 3.7156 -0.7106 C.ar 1 UNL1 0.4596 19 O -7.1888 -0.7730 1.5141 O.2 1 UNL1 -0.1948 20 O 5.9400 -0.6484 1.0811 O.2 1 UNL1 -0.2049 21 O -2.4014 -2.7453 -0.3118 O.3 1 UNL1 -0.5237 22 O 1.3579 -4.8866 -1.2321 O.3 1 UNL1 -0.5389 23 O 3.5095 -4.3616 0.0635 O.3 1 UNL1 -0.5179 24 O -7.7028 0.4205 -0.7205 O.3 1 UNL1 -0.3222 25 O -6.9378 1.7276 1.3007 O.3 1 UNL1 -0.3329 26 O 4.9049 1.1844 2.5964 O.3 1 UNL1 -0.3319 27 O 5.2146 1.5463 0.1336 O.3 1 UNL1 -0.3024 28 O -0.0770 -1.8370 -0.8589 O.3 1 UNL1 -0.4222 29 O -5.3947 0.2785 -0.1057 O.3 1 UNL1 -0.3894 30 O 3.3830 0.0488 1.1477 O.3 1 UNL1 -0.3766 31 H -7.0800 0.3852 -1.5423 H 1 UNL1 0.3216 32 H -6.8175 2.4658 0.6006 H 1 UNL1 0.3113 33 H 4.0741 0.8816 3.1210 H 1 UNL1 0.3203 34 H 4.4810 2.2646 0.1731 H 1 UNL1 0.3139 35 O -2.4578 0.5640 -1.0267 O.3 1 UNL1 -0.4134 36 O 1.2347 -2.4064 0.9655 O.3 1 UNL1 -0.4426 37 N 2.8151 4.8302 -0.0789 N.pl3 1 UNL1 -0.5522 38 N 0.0931 3.3699 0.4815 N.ar 1 UNL1 -0.3373 39 N 1.6354 1.3380 -2.0814 N.ar 1 UNL1 -0.5061 40 N 3.1799 3.1472 -1.6491 N.ar 1 UNL1 -0.5827 41 P -6.8331 0.2999 0.6116 P.3 1 UNL1 0.3643 42 P 4.9540 0.4060 1.1994 P.3 1 UNL1 0.3323 43 C 0.8272 1.8900 -1.1386 C.ar 1 UNL1 0.2876 44 C 1.1263 3.0938 -0.4108 C.ar 1 UNL1 -0.1994 45 N -0.3887 1.4477 -0.6419 N.ar 1 UNL1 -0.3719 46 H -0.8121 -0.0030 -2.1296 H 1 UNL1 0.1945 47 H -0.2775 -0.6494 0.8224 H 1 UNL1 0.1669 48 H -2.3922 -1.5680 1.3614 H 1 UNL1 0.1371 49 H -3.8043 -0.9348 -1.2148 H 1 UNL1 0.1771 50 H -0.2544 -3.5771 0.2718 H 1 UNL1 0.1544 51 H -1.7393 2.3003 0.8563 H 1 UNL1 0.2009 52 H 1.4427 -3.0380 -2.1523 H 1 UNL1 0.1573 53 H 3.6855 -2.8761 -1.2231 H 1 UNL1 0.1644 54 H 3.1512 -2.4132 1.5581 H 1 UNL1 0.1864 55 H -4.1789 -0.2439 1.5904 H 1 UNL1 0.1365 56 H -3.8385 1.3197 0.7436 H 1 UNL1 0.1431 57 H 3.4859 1.6060 -3.0337 H 1 UNL1 0.2064 58 H 3.2399 -0.6789 -0.8654 H 1 UNL1 0.1428 59 H 1.7705 -0.2490 0.0724 H 1 UNL1 0.1506 @BOND 1 57 10 1 2 10 39 ar 3 10 40 ar 4 52 6 1 5 46 1 1 6 39 43 ar 7 14 22 1 8 40 18 ar 9 31 24 1 10 22 6 1 11 53 7 1 12 49 4 1 13 6 7 1 14 6 5 1 15 43 45 ar 16 43 44 ar 17 1 35 1 18 1 45 1 19 1 2 1 20 35 4 1 21 58 12 1 22 28 5 1 23 28 2 1 24 24 41 1 25 18 44 ar 26 18 37 1 27 45 9 ar 28 7 23 1 29 7 8 1 30 44 38 ar 31 4 3 1 32 4 11 1 33 16 37 1 34 21 13 1 35 21 3 1 36 5 50 1 37 5 36 1 38 29 11 1 39 29 41 1 40 2 3 1 41 2 47 1 42 37 17 1 43 23 15 1 44 59 12 1 45 27 34 1 46 27 42 1 47 12 8 1 48 12 30 1 49 3 48 1 50 9 38 ar 51 9 51 1 52 32 25 1 53 11 56 1 54 11 55 1 55 41 25 1 56 41 19 2 57 8 36 1 58 8 54 1 59 20 42 2 60 30 42 1 61 42 26 1 62 26 33 1