@MOLECULE [(2R,3S,4R,5R)-5-(6-amino-8H-purin-9-ium-8-ylium-9-yl)-4-hydroxy-2-(phosphonooxymethyl)tetrahydrofuran-3-yl] (2S)-2-amino-3-phenyl-propanoate 57 60 0 0 0 SMALL GASTEIGER @ATOM 1 P -0.2379 4.5829 0.3626 P.3 1 UNL1111 0.3716 2 O -0.0833 3.8742 1.7719 O.3 1 UNL1111 -0.3054 3 O 0.8073 5.5463 0.1043 O.2 1 UNL1111 -0.2177 4 C 1.4735 -0.6194 -0.8407 C.3 1 UNL1111 0.2425 5 C 0.9882 -0.1263 0.5577 C.3 1 UNL1111 0.0687 6 O 0.7079 -1.1990 1.4029 O.3 1 UNL1111 -0.5691 7 C -0.3254 0.5966 0.1689 C.3 1 UNL1111 0.0712 8 O -1.2898 -0.4220 -0.0419 O.3 1 UNL1111 -0.4342 9 C 0.0009 1.1588 -1.2262 C.3 1 UNL1111 0.0571 10 O 1.0073 0.3087 -1.7997 O.3 1 UNL1111 -0.4240 11 C 0.6071 2.5791 -1.1916 C.3 1 UNL1111 -0.0198 12 O -0.4638 3.3843 -0.6945 O.3 1 UNL1111 -0.3845 13 N 2.9291 -0.6355 -0.9398 N.ar 1 UNL1111 -0.3765 14 C 3.7337 -0.1595 -2.0074 C.ar 1 UNL1111 0.1570 15 N 5.0085 -0.5101 -1.8536 N.ar 1 UNL1111 -0.3429 16 C 6.1169 -1.9478 -0.0027 C.ar 1 UNL1111 0.4703 17 N 7.3996 -1.9668 -0.4418 N.pl3 1 UNL1111 -0.5424 18 C 5.0763 -1.2556 -0.6791 C.ar 1 UNL1111 -0.1941 19 C 3.7688 -1.3456 -0.0955 C.ar 1 UNL1111 0.2758 20 N 3.4829 -2.0100 1.0555 N.ar 1 UNL1111 -0.5578 21 C 4.5469 -2.6287 1.6130 C.ar 1 UNL1111 0.3131 22 N 5.8155 -2.6339 1.1440 N.ar 1 UNL1111 -0.5678 23 C -2.2505 -0.5978 0.9051 C.2 1 UNL1111 0.5622 24 O -2.5812 0.2667 1.6678 O.2 1 UNL1111 -0.5002 25 C -2.7077 -2.0570 0.8359 C.3 1 UNL1111 0.0073 26 N -1.7761 -2.8798 1.6251 N.3 1 UNL1111 -0.6213 27 C -4.1445 -2.1901 1.3683 C.3 1 UNL1111 -0.3157 28 C -5.1317 -2.0776 0.2486 C.ar 1 UNL1111 0.0050 29 C -5.2981 -3.1490 -0.6326 C.ar 1 UNL1111 -0.1690 30 C -6.2289 -3.0661 -1.6643 C.ar 1 UNL1111 -0.1397 31 C -6.9982 -1.9139 -1.8170 C.ar 1 UNL1111 -0.1599 32 C -6.8183 -0.8358 -0.9520 C.ar 1 UNL1111 -0.1371 33 C -5.8878 -0.9175 0.0826 C.ar 1 UNL1111 -0.1685 34 H -0.9064 3.2787 1.9441 H 1 UNL1111 0.3168 35 H 1.0576 -1.6228 -1.1143 H 1 UNL1111 0.1729 36 H 1.7131 0.5585 1.0478 H 1 UNL1111 0.1565 37 H 1.5619 -1.6846 1.6022 H 1 UNL1111 0.3743 38 H -0.6757 1.3355 0.9108 H 1 UNL1111 0.1783 39 H -0.8590 1.0839 -1.9252 H 1 UNL1111 0.1719 40 H 1.5531 2.5922 -0.6187 H 1 UNL1111 0.1428 41 H 0.8204 2.9336 -2.2234 H 1 UNL1111 0.1411 42 H 3.3151 0.4146 -2.8217 H 1 UNL1111 0.2113 43 H 7.6580 -1.4490 -1.2613 H 1 UNL1111 0.3302 44 H 8.1053 -2.4670 0.0645 H 1 UNL1111 0.3246 45 H 4.3674 -3.1945 2.5453 H 1 UNL1111 0.2030 46 H -2.6505 -2.4200 -0.2285 H 1 UNL1111 0.1837 47 H -0.8136 -2.6915 1.3622 H 1 UNL1111 0.2829 48 H -1.8709 -2.7183 2.6163 H 1 UNL1111 0.2528 49 H -4.2593 -3.1767 1.8752 H 1 UNL1111 0.1808 50 H -4.3421 -1.4381 2.1613 H 1 UNL1111 0.1709 51 H -4.7014 -4.0510 -0.5013 H 1 UNL1111 0.1587 52 H -6.3579 -3.8998 -2.3505 H 1 UNL1111 0.1466 53 H -7.7364 -1.8538 -2.6129 H 1 UNL1111 0.1467 54 H -7.4110 0.0683 -1.0788 H 1 UNL1111 0.1478 55 H -5.7527 -0.0757 0.7595 H 1 UNL1111 0.1584 56 O -1.7524 5.0838 0.3970 O.3 1 UNL1111 -0.3304 57 H -2.1464 5.0175 -0.5502 H 1 UNL1111 0.3225 @BOND 1 1 12 1 2 1 56 1 3 2 1 1 4 2 34 1 5 3 1 2 6 4 13 1 7 4 5 1 8 4 35 1 9 5 6 1 10 5 36 1 11 6 37 1 12 7 5 1 13 7 38 1 14 8 23 1 15 8 7 1 16 9 11 1 17 9 7 1 18 9 39 1 19 10 9 1 20 10 4 1 21 11 40 1 22 11 41 1 23 12 11 1 24 13 14 ar 25 14 15 ar 26 14 42 1 27 16 18 ar 28 16 17 1 29 17 43 1 30 17 44 1 31 18 15 ar 32 19 13 ar 33 19 18 ar 34 20 19 ar 35 21 20 ar 36 21 22 ar 37 21 45 1 38 22 16 ar 39 23 24 2 40 25 23 1 41 25 27 1 42 25 46 1 43 26 25 1 44 26 47 1 45 26 48 1 46 27 49 1 47 27 50 1 48 28 27 1 49 28 29 ar 50 29 51 1 51 30 29 ar 52 30 52 1 53 31 30 ar 54 31 53 1 55 32 33 ar 56 32 31 ar 57 32 54 1 58 33 28 ar 59 33 55 1 60 56 57 1