TLO
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1' | N1 | sing | 1.47Å | 1.47Å | |
| N1 | C6 | sing | 1.37Å | 1.35Å | |
| N1 | C2 | sing | 1.35Å | 1.35Å | |
| O2 | C2 | doub | 1.22Å | 1.26Å | |
| C2 | N3 | sing | 1.35Å | 1.36Å | |
| N3 | C4 | sing | 1.35Å | 1.37Å | |
| N3 | HN3 | sing | 0.97Å | 1.00Å | |
| C5 | C4 | sing | 1.42Å | 1.41Å | |
| C4 | O4 | doub | 1.22Å | 1.25Å | |
| C6 | C5 | doub | 1.35Å | 1.39Å | |
| C5 | C5M | sing | 1.51Å | 1.53Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| O3A | PA | sing | 1.61Å | 1.61Å | |
| O2A | PA | doub | 1.48Å | 1.52Å | |
| PA | O5' | sing | 1.61Å | 1.60Å | |
| PA | O1A | sing | 1.61Å | 1.52Å | |
| O3B | PB | sing | 1.61Å | 1.60Å | |
| O2B | PB | doub | 1.48Å | 1.52Å | |
| PB | O1B | sing | 1.61Å | 1.48Å | |
| PB | O3A | sing | 1.61Å | 1.62Å | |
| CD2 | CG | doub | 1.39Å | 1.38Å | Aromatic |
| CG | O3B | sing | 1.36Å | 1.37Å | |
| CG | CD1 | sing | 1.39Å | 1.40Å | Aromatic |
| CE2 | CZ | doub | 1.38Å | 1.39Å | Aromatic |
| CZ | CE1 | sing | 1.38Å | 1.39Å | Aromatic |
| CZ | HZ | sing | 1.08Å | 1.08Å | |
| C2' | C1' | sing | 1.55Å | 1.55Å | |
| C1' | O4' | sing | 1.44Å | 1.40Å | |
| C1' | H1' | sing | 1.09Å | 1.10Å | |
| O1A | HO1A | sing | 0.97Å | 0.95Å | |
| O1B | HO1B | sing | 0.97Å | 0.95Å | |
| C3' | C2' | sing | 1.55Å | 1.52Å | |
| C2' | H2' | sing | 1.09Å | 1.10Å | |
| C2' | H2'A | sing | 1.09Å | 1.10Å | |
| O3' | C3' | sing | 1.43Å | 1.46Å | |
| C3' | C4' | sing | 1.55Å | 1.50Å | |
| C3' | H3' | sing | 1.09Å | 1.10Å | |
| O3' | HO3' | sing | 0.97Å | 0.95Å | |
| C5' | C4' | sing | 1.53Å | 1.51Å | |
| C4' | O4' | sing | 1.44Å | 1.43Å | |
| C4' | H4' | sing | 1.09Å | 1.10Å | |
| O5' | C5' | sing | 1.43Å | 1.45Å | |
| C5' | H5' | sing | 1.09Å | 1.10Å | |
| C5' | H5'A | sing | 1.09Å | 1.10Å | |
| C5M | H5M | sing | 1.09Å | 1.10Å | |
| C5M | H5MA | sing | 1.09Å | 1.10Å | |
| C5M | H5MB | sing | 1.09Å | 1.10Å | |
| CE1 | CD1 | doub | 1.38Å | 1.38Å | Aromatic |
| CD1 | HD1 | sing | 1.08Å | 1.08Å | |
| CE2 | CD2 | sing | 1.38Å | 1.38Å | Aromatic |
| CD2 | HD2 | sing | 1.08Å | 1.08Å | |
| CE1 | HE1 | sing | 1.08Å | 1.08Å | |
| CE2 | HE2 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1' | N1 | C6 | 118.1° | 119.7° |
| C1' | N1 | C2 | 121.0° | 119.7° |
| N1 | C1' | C2' | 110.1° | 110.4° |
| N1 | C1' | O4' | 109.6° | 110.4° |
| N1 | C1' | H1' | 107.7° | 110.4° |
| C6 | N1 | C2 | 120.5° | 120.6° |
| N1 | C6 | C5 | 120.9° | 119.7° |
| N1 | C6 | H6 | 119.5° | 120.2° |
| N1 | C2 | O2 | 121.0° | 119.5° |
| N1 | C2 | N3 | 121.4° | 120.9° |
| O2 | C2 | N3 | 117.6° | 119.6° |
| C2 | N3 | C4 | 118.7° | 120.3° |
| C2 | N3 | HN3 | 120.6° | 119.8° |
| C4 | N3 | HN3 | 120.7° | 119.9° |
| N3 | C4 | C5 | 121.3° | 119.4° |
| N3 | C4 | O4 | 114.9° | 120.3° |
| C5 | C4 | O4 | 123.8° | 120.3° |
| C4 | C5 | C6 | 117.1° | 119.1° |
| C4 | C5 | C5M | 118.3° | 120.4° |
| C6 | C5 | C5M | 124.6° | 120.5° |
| C5 | C6 | H6 | 119.5° | 120.1° |
| C5 | C5M | H5M | 109.5° | 109.5° |
| C5 | C5M | H5MA | 109.4° | 109.4° |
| C5 | C5M | H5MB | 109.4° | 109.5° |
| O3A | PA | O2A | 108.6° | 109.5° |
| O3A | PA | O5' | 101.2° | 109.5° |
| O3A | PA | O1A | 104.8° | 109.5° |
| PA | O3A | PB | 132.8° | 134.0° |
| O2A | PA | O5' | 107.8° | 109.4° |
| O2A | PA | O1A | 119.1° | 109.5° |
| O5' | PA | O1A | 113.9° | 109.5° |
| PA | O5' | C5' | 119.4° | 123.0° |
| PA | O1A | HO1A | 109.5° | 114.0° |
| O3B | PB | O2B | 108.6° | 109.5° |
| O3B | PB | O1B | 112.3° | 109.5° |
| O3B | PB | O3A | 103.7° | 109.5° |
| PB | O3B | CG | 121.8° | 114.0° |
| O2B | PB | O1B | 117.5° | 109.4° |
| O2B | PB | O3A | 109.0° | 109.5° |
| O1B | PB | O3A | 104.8° | 109.5° |
| PB | O1B | HO1B | 109.5° | 114.0° |
| CD2 | CG | O3B | 119.7° | 120.0° |
| CD2 | CG | CD1 | 121.5° | 119.9° |
| CG | CD2 | CE2 | 117.0° | 119.9° |
| CG | CD2 | HD2 | 121.5° | 120.0° |
| O3B | CG | CD1 | 118.8° | 120.1° |
| CG | CD1 | CE1 | 121.2° | 120.0° |
| CG | CD1 | HD1 | 119.4° | 120.0° |
| CE2 | CZ | CE1 | 121.1° | 120.1° |
| CE2 | CZ | HZ | 119.4° | 120.0° |
| CZ | CE2 | CD2 | 122.0° | 120.1° |
| CZ | CE2 | HE2 | 119.0° | 120.0° |
| CE1 | CZ | HZ | 119.5° | 119.9° |
| CZ | CE1 | CD1 | 117.2° | 120.0° |
| CZ | CE1 | HE1 | 121.4° | 120.0° |
| C2' | C1' | O4' | 105.1° | 104.8° |
| C2' | C1' | H1' | 111.9° | 110.4° |
| C1' | C2' | C3' | 103.7° | 104.1° |
| C1' | C2' | H2' | 111.4° | 110.5° |
| C1' | C2' | H2'A | 111.4° | 110.5° |
| O4' | C1' | H1' | 112.4° | 110.4° |
| C1' | O4' | C4' | 111.8° | 105.3° |
| C3' | C2' | H2' | 111.4° | 110.6° |
| C3' | C2' | H2'A | 111.4° | 110.6° |
| C2' | C3' | O3' | 107.9° | 110.5° |
| C2' | C3' | C4' | 102.5° | 104.1° |
| C2' | C3' | H3' | 113.3° | 110.5° |
| H2' | C2' | H2'A | 107.5° | 110.5° |
| O3' | C3' | C4' | 104.2° | 110.5° |
| O3' | C3' | H3' | 111.7° | 110.6° |
| C3' | O3' | HO3' | 109.5° | 114.0° |
| C4' | C3' | H3' | 116.4° | 110.5° |
| C3' | C4' | C5' | 109.6° | 110.4° |
| C3' | C4' | O4' | 107.7° | 104.8° |
| C3' | C4' | H4' | 109.6° | 110.4° |
| C5' | C4' | O4' | 106.4° | 110.4° |
| C5' | C4' | H4' | 110.8° | 110.5° |
| C4' | C5' | O5' | 108.5° | 109.5° |
| C4' | C5' | H5' | 109.8° | 109.4° |
| C4' | C5' | H5'A | 109.8° | 109.5° |
| O4' | C4' | H4' | 112.6° | 110.3° |
| O5' | C5' | H5' | 109.8° | 109.5° |
| O5' | C5' | H5'A | 109.8° | 109.5° |
| H5' | C5' | H5'A | 109.1° | 109.5° |
| H5M | C5M | H5MA | 109.4° | 109.5° |
| H5M | C5M | H5MB | 109.5° | 109.5° |
| H5MA | C5M | H5MB | 109.5° | 109.4° |
| CE1 | CD1 | HD1 | 119.4° | 120.0° |
| CD1 | CE1 | HE1 | 121.4° | 120.0° |
| CE2 | CD2 | HD2 | 121.5° | 120.1° |
| CD2 | CE2 | HE2 | 119.0° | 119.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1' | N1 | C6 | C2 | 173.2° | 179.8° |
| C1' | N1 | C2 | O2 | 5.8° | 0.2° |
| C1' | N1 | C2 | N3 | 175.9° | 179.7° |
| C1' | N1 | C6 | C5 | 175.9° | 179.7° |
| C1' | N1 | C6 | H6 | 4.1° | 0.2° |
| N1 | C1' | C2' | O4' | 118.0° | 118.9° |
| N1 | C1' | C2' | H1' | 119.7° | 122.3° |
| N1 | C1' | O4' | H1' | 119.7° | 122.3° |
| N1 | C1' | C2' | C3' | 144.4° | 142.8° |
| N1 | C1' | C2' | H2' | 95.6° | 98.5° |
| N1 | C1' | C2' | H2'A | 24.5° | 24.1° |
| N1 | C1' | O4' | C4' | 130.7° | 159.3° |
| C6 | N1 | C2 | O2 | 178.8° | 180.0° |
| C6 | N1 | C2 | N3 | 2.8° | 0.0° |
| N1 | C6 | C5 | C4 | 1.9° | 0.0° |
| N1 | C6 | C5 | H6 | 180.0° | 179.9° |
| N1 | C6 | C5 | C5M | 177.6° | 180.0° |
| C6 | N1 | C1' | C2' | 66.9° | 118.2° |
| C6 | N1 | C1' | O4' | 48.3° | 126.5° |
| C6 | N1 | C1' | H1' | 170.8° | 4.1° |
| N1 | C2 | O2 | N3 | 178.4° | 180.0° |
| N1 | C2 | N3 | C4 | 2.1° | 0.0° |
| N1 | C2 | N3 | HN3 | 177.9° | 180.0° |
| C2 | N1 | C6 | C5 | 2.7° | 0.0° |
| C2 | N1 | C6 | H6 | 177.3° | 180.0° |
| C2 | N1 | C1' | C2' | 106.3° | 61.6° |
| C2 | N1 | C1' | O4' | 138.5° | 53.8° |
| C2 | N1 | C1' | H1' | 16.0° | 176.1° |
| O2 | C2 | N3 | C4 | 179.4° | 180.0° |
| O2 | C2 | N3 | HN3 | 0.5° | 0.0° |
| C2 | N3 | C4 | HN3 | 180.0° | 180.0° |
| C2 | N3 | C4 | C5 | 1.4° | 0.0° |
| C2 | N3 | C4 | O4 | 177.5° | 179.9° |
| N3 | C4 | C5 | O4 | 178.8° | 180.0° |
| N3 | C4 | C5 | C6 | 1.3° | 0.0° |
| N3 | C4 | C5 | C5M | 178.3° | 180.0° |
| HN3 | N3 | C4 | C5 | 178.6° | 180.0° |
| HN3 | N3 | C4 | O4 | 2.4° | 0.1° |
| C4 | C5 | C6 | C5M | 179.5° | 180.0° |
| C4 | C5 | C6 | H6 | 178.1° | 179.9° |
| C4 | C5 | C5M | H5M | 180.0° | 0.0° |
| C4 | C5 | C5M | H5MA | 60.0° | 120.0° |
| C4 | C5 | C5M | H5MB | 60.0° | 120.0° |
| O4 | C4 | C5 | C6 | 177.6° | 179.9° |
| O4 | C4 | C5 | C5M | 2.9° | 0.1° |
| C6 | C5 | C5M | H5M | 0.5° | 180.0° |
| C6 | C5 | C5M | H5MA | 120.5° | 60.0° |
| C6 | C5 | C5M | H5MB | 119.5° | 60.0° |
| C5M | C5 | C6 | H6 | 2.4° | 0.1° |
| C5 | C5M | H5M | H5MA | 120.0° | 120.0° |
| C5 | C5M | H5M | H5MB | 120.0° | 120.0° |
| C5 | C5M | H5MA | H5MB | 120.0° | 120.0° |
| O3A | PA | O2A | O5' | 108.8° | 120.0° |
| O3A | PA | O2A | O1A | 119.6° | 120.0° |
| O3A | PA | O5' | O1A | 111.8° | 120.0° |
| PA | O3A | PB | O3B | 93.1° | 160.0° |
| PA | O3A | PB | O2B | 22.4° | 40.0° |
| PA | O3A | PB | O1B | 149.0° | 80.0° |
| O3A | PA | O1A | HO1A | 121.5° | 60.0° |
| O3A | PA | O5' | C5' | 72.3° | 175.0° |
| O2A | PA | O5' | O1A | 134.4° | 120.0° |
| O2A | PA | O3A | PB | 42.0° | 40.0° |
| O2A | PA | O1A | HO1A | 0.0° | 180.0° |
| O2A | PA | O5' | C5' | 173.9° | 55.0° |
| O5' | PA | O3A | PB | 71.2° | 160.0° |
| O5' | PA | O1A | HO1A | 128.9° | 60.0° |
| PA | O5' | C5' | C4' | 160.4° | 180.0° |
| PA | O5' | C5' | H5' | 40.4° | 60.0° |
| PA | O5' | C5' | H5'A | 79.6° | 60.0° |
| O1A | PA | O3A | PB | 170.2° | 80.0° |
| O1A | PA | O5' | C5' | 39.5° | 65.0° |
| O3B | PB | O2B | O1B | 128.8° | 120.0° |
| O3B | PB | O2B | O3A | 112.3° | 120.0° |
| O3B | PB | O1B | O3A | 111.9° | 120.0° |
| PB | O3B | CG | CD2 | 96.4° | 90.3° |
| PB | O3B | CG | CD1 | 83.6° | 90.0° |
| O3B | PB | O1B | HO1B | 127.0° | 60.0° |
| O2B | PB | O1B | O3A | 121.2° | 120.0° |
| O2B | PB | O3B | CG | 165.1° | 55.0° |
| O2B | PB | O1B | HO1B | 0.0° | 180.0° |
| O1B | PB | O3B | CG | 33.4° | 64.9° |
| O3A | PB | O3B | CG | 79.2° | 175.0° |
| O3A | PB | O1B | HO1B | 121.1° | 60.0° |
| CD2 | CG | O3B | CD1 | 179.9° | 179.7° |
| CG | CD2 | CE2 | CZ | 0.1° | 0.0° |
| CD2 | CG | CD1 | CE1 | 0.4° | 0.2° |
| CD2 | CG | CD1 | HD1 | 179.6° | 179.8° |
| CG | CD2 | CE2 | HD2 | 180.0° | 180.0° |
| CG | CD2 | CE2 | HE2 | 179.9° | 179.7° |
| O3B | CG | CD1 | CE1 | 179.5° | 179.9° |
| O3B | CG | CD1 | HD1 | 0.5° | 0.1° |
| O3B | CG | CD2 | CE2 | 179.9° | 180.0° |
| O3B | CG | CD2 | HD2 | 0.1° | 0.0° |
| CG | CD1 | CE1 | CZ | 0.9° | 0.0° |
| CG | CD1 | CE1 | HD1 | 180.0° | 180.0° |
| CD1 | CG | CD2 | CE2 | 0.0° | 0.3° |
| CD1 | CG | CD2 | HD2 | 179.9° | 179.7° |
| CG | CD1 | CE1 | HE1 | 179.1° | 179.7° |
| CE2 | CZ | CE1 | HZ | 180.0° | 179.7° |
| CE2 | CZ | CE1 | CD1 | 0.9° | 0.3° |
| CZ | CE2 | CD2 | HE2 | 180.0° | 179.7° |
| CZ | CE2 | CD2 | HD2 | 179.9° | 180.0° |
| CE2 | CZ | CE1 | HE1 | 179.1° | 180.0° |
| CZ | CE1 | CD1 | HE1 | 180.0° | 179.7° |
| CZ | CE1 | CD1 | HD1 | 179.1° | 179.9° |
| CE1 | CZ | CE2 | CD2 | 0.6° | 0.3° |
| CE1 | CZ | CE2 | HE2 | 179.5° | 180.0° |
| HZ | CZ | CE1 | CD1 | 179.1° | 179.9° |
| HZ | CZ | CE2 | CD2 | 179.4° | 180.0° |
| HZ | CZ | CE1 | HE1 | 0.9° | 0.3° |
| HZ | CZ | CE2 | HE2 | 0.5° | 0.3° |
| C2' | C1' | O4' | H1' | 122.0° | 118.9° |
| C1' | C2' | C3' | H2' | 120.0° | 118.7° |
| C1' | C2' | C3' | H2'A | 120.0° | 118.6° |
| C1' | C2' | H2' | H2'A | 122.3° | 122.6° |
| C1' | C2' | C3' | O3' | 79.9° | 118.6° |
| C1' | C2' | C3' | C4' | 29.7° | 0.1° |
| C1' | C2' | C3' | H3' | 155.9° | 118.7° |
| C2' | C1' | O4' | C4' | 12.4° | 40.5° |
| O4' | C1' | C2' | C3' | 26.5° | 23.9° |
| O4' | C1' | C2' | H2' | 146.5° | 142.6° |
| O4' | C1' | C2' | H2'A | 93.5° | 94.8° |
| C1' | O4' | C4' | C3' | 7.0° | 40.5° |
| C1' | O4' | C4' | C5' | 110.5° | 159.4° |
| C1' | O4' | C4' | H4' | 127.9° | 78.3° |
| H1' | C1' | C2' | C3' | 95.8° | 95.0° |
| H1' | C1' | C2' | H2' | 24.2° | 23.7° |
| H1' | C1' | C2' | H2'A | 144.2° | 146.3° |
| H1' | C1' | O4' | C4' | 109.6° | 78.4° |
| C3' | C2' | H2' | H2'A | 122.3° | 122.7° |
| C2' | C3' | O3' | C4' | 108.4° | 114.6° |
| C2' | C3' | O3' | H3' | 125.1° | 122.7° |
| C2' | C3' | C4' | H3' | 124.2° | 118.7° |
| C2' | C3' | O3' | HO3' | 180.0° | 61.5° |
| C2' | C3' | C4' | C5' | 92.1° | 142.8° |
| C2' | C3' | C4' | O4' | 23.3° | 24.0° |
| C2' | C3' | C4' | H4' | 146.1° | 94.8° |
| H2' | C2' | C3' | O3' | 40.1° | 0.0° |
| H2' | C2' | C3' | C4' | 149.7° | 118.6° |
| H2' | C2' | C3' | H3' | 84.1° | 122.7° |
| H2'A | C2' | C3' | O3' | 160.1° | 122.7° |
| H2'A | C2' | C3' | C4' | 90.3° | 118.7° |
| H2'A | C2' | C3' | H3' | 35.9° | 0.0° |
| O3' | C3' | C4' | H3' | 123.5° | 122.7° |
| O3' | C3' | C4' | C5' | 155.6° | 98.6° |
| O3' | C3' | C4' | O4' | 89.1° | 142.6° |
| O3' | C3' | C4' | H4' | 33.8° | 23.8° |
| C4' | C3' | O3' | HO3' | 71.6° | 176.1° |
| C3' | C4' | C5' | O4' | 116.2° | 115.4° |
| C3' | C4' | C5' | H4' | 121.1° | 122.3° |
| C3' | C4' | O4' | H4' | 120.9° | 118.8° |
| C3' | C4' | C5' | O5' | 74.1° | 175.0° |
| C3' | C4' | C5' | H5' | 45.9° | 55.0° |
| C3' | C4' | C5' | H5'A | 165.9° | 64.9° |
| H3' | C3' | O3' | HO3' | 54.9° | 61.2° |
| H3' | C3' | C4' | C5' | 32.1° | 24.1° |
| H3' | C3' | C4' | O4' | 147.4° | 94.7° |
| H3' | C3' | C4' | H4' | 89.7° | 146.5° |
| C5' | C4' | O4' | H4' | 121.6° | 122.4° |
| C4' | C5' | O5' | H5' | 120.0° | 119.9° |
| C4' | C5' | O5' | H5'A | 120.0° | 120.0° |
| C4' | C5' | H5' | H5'A | 120.4° | 120.0° |
| O4' | C4' | C5' | O5' | 169.7° | 69.6° |
| O4' | C4' | C5' | H5' | 70.4° | 170.4° |
| O4' | C4' | C5' | H5'A | 49.7° | 50.4° |
| H4' | C4' | C5' | O5' | 46.9° | 52.7° |
| H4' | C4' | C5' | H5' | 166.9° | 67.3° |
| H4' | C4' | C5' | H5'A | 73.0° | 172.7° |
| O5' | C5' | H5' | H5'A | 120.4° | 120.1° |
| H5M | C5M | H5MA | H5MB | 120.0° | 120.0° |
| HD1 | CD1 | CE1 | HE1 | 0.9° | 0.3° |
| HD2 | CD2 | CE2 | HE2 | 0.1° | 0.3° |
