@MOLECULE 5'-o-[(r)-hydroxy{[(s)-hydroxy{[(s)-hydroxy(phosphonooxy)phosphoryl]methyl}phosphoryl]oxy}phosphoryl]adenosine 54 56 0 0 0 SMALL GASTEIGER @ATOM 1 P 2.2419 1.8322 -1.8310 P.3 1 UNL11 0.3831 2 P 2.7230 -1.1910 -1.9136 P.3 1 UNL11 0.3846 3 P 4.2772 -0.9755 1.0091 P.3 1 UNL11 0.3602 4 P 1.4451 -1.3931 2.1554 P.3 1 UNL11 0.4063 5 O -2.4227 2.1948 -0.3782 O.3 1 UNL11 -0.4123 6 O -1.1338 3.8115 1.8669 O.3 1 UNL11 -0.5533 7 O -2.5872 1.9656 3.0523 O.3 1 UNL11 -0.5155 8 O 0.7039 2.1882 -1.6712 O.3 1 UNL11 -0.1794 9 O 2.0956 0.2733 -1.8789 O.3 1 UNL11 -0.2262 10 O 2.8850 2.1192 -0.3798 O.3 1 UNL11 -0.4554 11 O 2.8399 2.5920 -2.9113 O.2 1 UNL11 -0.2778 12 O 3.4849 -1.3090 -3.3084 O.3 1 UNL11 -0.4332 13 O 2.7628 -1.3036 1.3001 O.3 1 UNL11 -0.3197 14 O 1.5010 -1.9858 -1.8007 O.2 1 UNL11 -0.2962 15 O 4.4452 0.5877 1.1911 O.3 1 UNL11 -0.3833 16 O 5.2989 -1.6870 1.7517 O.2 1 UNL11 -0.2579 17 O 0.8358 0.0849 1.9729 O.3 1 UNL11 -0.4453 18 O 0.5297 -2.1975 1.1497 O.3 1 UNL11 -0.2665 19 O 1.4674 -1.9106 3.5017 O.2 1 UNL11 -0.2258 20 N -3.3661 0.1866 0.2921 N.ar 1 UNL11 -0.3723 21 N -3.3049 -1.9856 -0.3949 N.ar 1 UNL11 -0.3434 22 N -5.7525 0.6589 -0.2151 N.ar 1 UNL11 -0.5051 23 N -6.9377 -1.2736 -1.0600 N.ar 1 UNL11 -0.5696 24 N -5.9789 -3.4016 -1.2238 N.pl3 1 UNL11 -0.5568 25 C -0.8671 2.5224 1.3676 C.3 1 UNL11 0.0617 26 C -1.9494 1.5372 1.8888 C.3 1 UNL11 0.0370 27 C -1.0429 2.4758 -0.1596 C.3 1 UNL11 0.0092 28 C -2.9914 1.5182 0.7297 C.3 1 UNL11 0.2256 29 C -0.1893 1.3993 -0.8444 C.3 1 UNL11 -0.0726 30 C -4.6486 -0.1253 -0.1477 C.ar 1 UNL11 0.2929 31 C -2.5801 -0.9819 0.0870 C.ar 1 UNL11 0.1435 32 C -4.6048 -1.5031 -0.5436 C.ar 1 UNL11 -0.2095 33 C -5.8369 -2.0755 -0.9585 C.ar 1 UNL11 0.4646 34 C 4.1718 -1.3918 -0.8357 C.3 1 UNL11 -0.1103 35 C -6.8442 0.0320 -0.6993 C.ar 1 UNL11 0.2996 36 H 0.1580 2.3133 1.7297 H 1 UNL11 0.1769 37 H -1.5418 0.5320 2.1470 H 1 UNL11 0.1918 38 H -0.8999 3.4724 -0.6398 H 1 UNL11 0.1738 39 H -3.9260 2.0965 0.9755 H 1 UNL11 0.1939 40 H -0.8034 0.8035 -1.5576 H 1 UNL11 0.1606 41 H 0.2776 0.7088 -0.1166 H 1 UNL11 0.1772 42 H -1.8892 4.2280 1.3937 H 1 UNL11 0.3295 43 H -2.3829 2.9144 3.2376 H 1 UNL11 0.3338 44 H -1.5223 -1.0247 0.3201 H 1 UNL11 0.2179 45 H 5.0306 -0.7689 -1.3035 H 1 UNL11 0.2207 46 H 4.4630 -2.5098 -0.8937 H 1 UNL11 0.2177 47 H -7.7604 0.6395 -0.8090 H 1 UNL11 0.2026 48 H 3.6099 2.8255 -0.4709 H 1 UNL11 0.3268 49 H -5.1758 -4.0003 -1.1987 H 1 UNL11 0.3266 50 H -6.8607 -3.7703 -1.5226 H 1 UNL11 0.3234 51 H 2.8354 -1.1597 -4.0759 H 1 UNL11 0.3364 52 H 3.7267 1.0988 0.6601 H 1 UNL11 0.3403 53 H 1.4528 0.7579 2.4256 H 1 UNL11 0.3261 54 H 0.8084 -1.9613 0.1736 H 1 UNL11 0.3431 @BOND 1 1 8 1 2 1 9 1 3 1 10 1 4 1 11 2 5 2 9 1 6 2 12 1 7 2 14 2 8 2 34 1 9 3 13 1 10 3 15 1 11 3 16 2 12 3 34 1 13 4 13 1 14 4 17 1 15 4 18 1 16 4 19 2 17 5 27 1 18 5 28 1 19 6 25 1 20 6 42 1 21 7 26 1 22 7 43 1 23 8 29 1 24 10 48 1 25 12 51 1 26 15 52 1 27 17 53 1 28 18 54 1 29 20 28 1 30 20 30 ar 31 20 31 ar 32 21 31 ar 33 21 32 ar 34 22 30 ar 35 22 35 ar 36 23 33 ar 37 23 35 ar 38 24 33 1 39 24 49 1 40 24 50 1 41 25 26 1 42 25 27 1 43 25 36 1 44 26 28 1 45 26 37 1 46 27 29 1 47 27 38 1 48 28 39 1 49 29 40 1 50 29 41 1 51 30 32 ar 52 31 44 1 53 32 33 ar 54 34 45 1 55 34 46 1 56 35 47 1