AYD
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1' | C2' | doub | 1.32Å | 1.42Å | Aromatic |
| N1' | C6' | sing | 1.33Å | 1.45Å | Aromatic |
| C2' | CM2 | sing | 1.51Å | 1.47Å | |
| C2' | N3' | sing | 1.32Å | 1.39Å | Aromatic |
| CM2 | HM21 | sing | 1.09Å | 1.11Å | |
| CM2 | HM22 | sing | 1.09Å | 1.12Å | |
| CM2 | HM23 | sing | 1.09Å | 1.11Å | |
| N3' | C4' | doub | 1.33Å | 1.45Å | Aromatic |
| C4' | N4' | sing | 1.39Å | 1.36Å | |
| C4' | C5' | sing | 1.40Å | 1.52Å | Aromatic |
| N4' | H4'1 | sing | 0.97Å | 1.02Å | |
| N4' | H4'2 | sing | 0.97Å | 1.02Å | |
| C5' | C6' | doub | 1.38Å | 1.48Å | Aromatic |
| C5' | C7' | sing | 1.51Å | 1.57Å | |
| C6' | H6' | sing | 1.08Å | 1.10Å | |
| C7' | N3 | sing | 1.47Å | 1.55Å | |
| C7' | H7'1 | sing | 1.09Å | 1.11Å | |
| C7' | H7'2 | sing | 1.09Å | 1.12Å | |
| N3 | C4 | sing | 1.39Å | 1.43Å | |
| N3 | HN3 | sing | 0.97Å | 1.02Å | |
| C5 | C4 | doub | 1.32Å | 1.57Å | |
| C5 | C6 | sing | 1.51Å | 1.52Å | |
| C5 | H5 | sing | 1.08Å | 1.10Å | |
| C4 | CM4 | sing | 1.51Å | 1.50Å | |
| CM4 | HM41 | sing | 1.09Å | 1.11Å | |
| CM4 | HM42 | sing | 1.09Å | 1.12Å | |
| CM4 | HM43 | sing | 1.09Å | 1.12Å | |
| C6 | C7 | sing | 1.53Å | 1.58Å | |
| C6 | H61 | sing | 1.09Å | 1.11Å | |
| C6 | H62 | sing | 1.09Å | 1.12Å | |
| C7 | O7 | sing | 1.43Å | 1.60Å | |
| C7 | H71 | sing | 1.09Å | 1.12Å | |
| C7 | H72 | sing | 1.09Å | 1.12Å | |
| O7 | PA | sing | 1.61Å | 1.50Å | |
| PA | O1A | doub | 1.48Å | 1.42Å | |
| PA | O2A | sing | 1.61Å | 1.38Å | |
| PA | O3A | sing | 1.61Å | 1.56Å | |
| O2A | H2A | sing | 0.97Å | 0.95Å | |
| O3A | PB | sing | 1.61Å | 1.57Å | |
| PB | O1B | doub | 1.48Å | 1.44Å | |
| PB | O2B | sing | 1.61Å | 1.43Å | |
| PB | O3B | sing | 1.61Å | 1.47Å | |
| O2B | H2B | sing | 0.97Å | 0.95Å | |
| O3B | H3B | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2' | N1' | C6' | 122.4° | 121.0° |
| N1' | C2' | CM2 | 122.5° | 119.1° |
| N1' | C2' | N3' | 120.1° | 121.8° |
| N1' | C6' | C5' | 119.9° | 119.2° |
| N1' | C6' | H6' | 118.7° | 120.4° |
| CM2 | C2' | N3' | 117.4° | 119.1° |
| C2' | CM2 | HM21 | 122.5° | 109.5° |
| C2' | CM2 | HM22 | 107.5° | 109.5° |
| C2' | CM2 | HM23 | 107.5° | 109.5° |
| C2' | N3' | C4' | 122.0° | 120.7° |
| HM21 | CM2 | HM22 | 107.6° | 109.5° |
| HM21 | CM2 | HM23 | 107.6° | 109.5° |
| HM22 | CM2 | HM23 | 102.2° | 109.4° |
| N3' | C4' | N4' | 118.1° | 120.6° |
| N3' | C4' | C5' | 119.8° | 118.9° |
| N4' | C4' | C5' | 122.1° | 120.5° |
| C4' | N4' | H4'1 | 118.1° | 120.0° |
| C4' | N4' | H4'2 | 109.1° | 120.0° |
| C4' | C5' | C6' | 115.8° | 118.3° |
| C4' | C5' | C7' | 122.4° | 120.8° |
| H4'1 | N4' | H4'2 | 109.1° | 120.0° |
| C6' | C5' | C7' | 121.8° | 120.9° |
| C5' | C6' | H6' | 121.4° | 120.4° |
| C5' | C7' | N3 | 120.9° | 109.5° |
| C5' | C7' | H7'1 | 108.1° | 109.5° |
| C5' | C7' | H7'2 | 108.1° | 109.6° |
| N3 | C7' | H7'1 | 108.1° | 109.4° |
| N3 | C7' | H7'2 | 108.1° | 109.5° |
| C7' | N3 | C4 | 118.6° | 120.0° |
| C7' | N3 | HN3 | 108.9° | 120.0° |
| H7'1 | C7' | H7'2 | 101.7° | 109.4° |
| C4 | N3 | HN3 | 108.9° | 120.0° |
| N3 | C4 | C5 | 123.0° | 120.0° |
| N3 | C4 | CM4 | 118.1° | 120.0° |
| C4 | C5 | C6 | 129.9° | 120.0° |
| C4 | C5 | H5 | 116.9° | 120.0° |
| C5 | C4 | CM4 | 118.8° | 120.0° |
| C6 | C5 | H5 | 113.2° | 120.0° |
| C5 | C6 | C7 | 143.8° | 109.4° |
| C5 | C6 | H61 | 100.7° | 109.5° |
| C5 | C6 | H62 | 100.7° | 109.5° |
| C4 | CM4 | HM41 | 118.2° | 109.4° |
| C4 | CM4 | HM42 | 109.1° | 109.5° |
| C4 | CM4 | HM43 | 109.1° | 109.5° |
| HM41 | CM4 | HM42 | 109.0° | 109.5° |
| HM41 | CM4 | HM43 | 109.1° | 109.5° |
| HM42 | CM4 | HM43 | 101.0° | 109.5° |
| C7 | C6 | H61 | 100.7° | 109.5° |
| C7 | C6 | H62 | 100.7° | 109.5° |
| C6 | C7 | O7 | 148.5° | 109.4° |
| C6 | C7 | H71 | 99.3° | 109.5° |
| C6 | C7 | H72 | 99.2° | 109.5° |
| H61 | C6 | H62 | 106.7° | 109.5° |
| O7 | C7 | H71 | 99.3° | 109.5° |
| O7 | C7 | H72 | 99.3° | 109.5° |
| C7 | O7 | PA | 143.4° | 123.0° |
| H71 | C7 | H72 | 107.3° | 109.5° |
| O7 | PA | O1A | 114.6° | 109.4° |
| O7 | PA | O2A | 111.7° | 109.5° |
| O7 | PA | O3A | 109.2° | 109.5° |
| O1A | PA | O2A | 105.7° | 109.4° |
| O1A | PA | O3A | 104.8° | 109.5° |
| O2A | PA | O3A | 110.6° | 109.5° |
| PA | O2A | H2A | 111.7° | 114.0° |
| PA | O3A | PB | 135.6° | 134.0° |
| O3A | PB | O1B | 104.2° | 109.5° |
| O3A | PB | O2B | 103.2° | 109.5° |
| O3A | PB | O3B | 102.2° | 109.5° |
| O1B | PB | O2B | 116.1° | 109.5° |
| O1B | PB | O3B | 116.2° | 109.5° |
| O2B | PB | O3B | 112.5° | 109.5° |
| PB | O2B | H2B | 103.1° | 114.0° |
| PB | O3B | H3B | 102.2° | 114.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N1' | C2' | CM2 | N3' | 179.9° | 180.0° |
| N1' | C2' | CM2 | HM21 | 180.0° | 90.0° |
| N1' | C2' | CM2 | HM22 | 54.7° | 150.0° |
| N1' | C2' | CM2 | HM23 | 54.7° | 30.0° |
| N1' | C2' | N3' | C4' | 0.1° | 0.0° |
| C2' | N1' | C6' | C5' | 0.0° | 0.0° |
| C2' | N1' | C6' | H6' | 180.0° | 180.0° |
| C6' | N1' | C2' | CM2 | 179.9° | 180.0° |
| C6' | N1' | C2' | N3' | 0.1° | 0.0° |
| N1' | C6' | C5' | C4' | 0.1° | 0.0° |
| N1' | C6' | C5' | H6' | 180.0° | 180.0° |
| N1' | C6' | C5' | C7' | 179.9° | 180.0° |
| C2' | CM2 | HM21 | HM22 | 125.2° | 120.0° |
| C2' | CM2 | HM21 | HM23 | 125.3° | 120.0° |
| C2' | CM2 | HM22 | HM23 | 113.1° | 120.0° |
| CM2 | C2' | N3' | C4' | 180.0° | 180.0° |
| N3' | C2' | CM2 | HM21 | 0.0° | 90.0° |
| N3' | C2' | CM2 | HM22 | 125.2° | 30.0° |
| N3' | C2' | CM2 | HM23 | 125.3° | 150.0° |
| C2' | N3' | C4' | N4' | 180.0° | 180.0° |
| C2' | N3' | C4' | C5' | 0.0° | 0.0° |
| HM21 | CM2 | HM22 | HM23 | 113.2° | 120.0° |
| N3' | C4' | N4' | C5' | 179.9° | 180.0° |
| N3' | C4' | N4' | H4'1 | 180.0° | 0.0° |
| N3' | C4' | N4' | H4'2 | 54.8° | 180.0° |
| N3' | C4' | C5' | C6' | 0.1° | 0.0° |
| N3' | C4' | C5' | C7' | 179.9° | 179.9° |
| C4' | N4' | H4'1 | H4'2 | 125.3° | 180.0° |
| N4' | C4' | C5' | C6' | 179.9° | 180.0° |
| N4' | C4' | C5' | C7' | 0.0° | 0.0° |
| C5' | C4' | N4' | H4'1 | 0.1° | 180.0° |
| C5' | C4' | N4' | H4'2 | 125.2° | 0.0° |
| C4' | C5' | C6' | C7' | 180.0° | 180.0° |
| C4' | C5' | C6' | H6' | 179.9° | 180.0° |
| C4' | C5' | C7' | N3 | 38.3° | 80.0° |
| C4' | C5' | C7' | H7'1 | 87.0° | 160.0° |
| C4' | C5' | C7' | H7'2 | 163.6° | 40.0° |
| C6' | C5' | C7' | N3 | 141.7° | 100.0° |
| C6' | C5' | C7' | H7'1 | 93.0° | 19.9° |
| C6' | C5' | C7' | H7'2 | 16.4° | 140.0° |
| C7' | C5' | C6' | H6' | 0.1° | 0.1° |
| C5' | C7' | N3 | H7'1 | 125.3° | 120.0° |
| C5' | C7' | N3 | H7'2 | 125.3° | 120.1° |
| C5' | C7' | H7'1 | H7'2 | 113.7° | 120.1° |
| C5' | C7' | N3 | C4 | 68.7° | 180.0° |
| C5' | C7' | N3 | HN3 | 166.1° | 0.1° |
| N3 | C7' | H7'1 | H7'2 | 113.7° | 119.9° |
| C7' | N3 | C4 | HN3 | 125.2° | 179.9° |
| C7' | N3 | C4 | C5 | 141.1° | 180.0° |
| C7' | N3 | C4 | CM4 | 39.1° | 0.1° |
| H7'1 | C7' | N3 | C4 | 166.0° | 60.0° |
| H7'1 | C7' | N3 | HN3 | 40.8° | 120.1° |
| H7'2 | C7' | N3 | C4 | 56.6° | 59.9° |
| H7'2 | C7' | N3 | HN3 | 68.6° | 120.0° |
| N3 | C4 | C5 | CM4 | 179.8° | 179.9° |
| N3 | C4 | C5 | C6 | 179.9° | 174.6° |
| N3 | C4 | C5 | H5 | 0.1° | 5.5° |
| N3 | C4 | CM4 | HM41 | 179.9° | 5.0° |
| N3 | C4 | CM4 | HM42 | 54.8° | 125.0° |
| N3 | C4 | CM4 | HM43 | 54.7° | 115.0° |
| HN3 | N3 | C4 | C5 | 93.7° | 0.1° |
| HN3 | N3 | C4 | CM4 | 86.1° | 180.0° |
| C4 | C5 | C6 | H5 | 179.9° | 180.0° |
| C5 | C4 | CM4 | HM41 | 0.1° | 175.1° |
| C5 | C4 | CM4 | HM42 | 125.0° | 55.1° |
| C5 | C4 | CM4 | HM43 | 125.5° | 65.0° |
| C4 | C5 | C6 | C7 | 0.4° | 125.2° |
| C4 | C5 | C6 | H61 | 125.7° | 114.8° |
| C4 | C5 | C6 | H62 | 124.8° | 5.2° |
| C6 | C5 | C4 | CM4 | 0.3° | 5.4° |
| C5 | C6 | C7 | H61 | 125.3° | 119.9° |
| C5 | C6 | C7 | H62 | 125.2° | 120.0° |
| C5 | C6 | H61 | H62 | 104.7° | 120.0° |
| C5 | C6 | C7 | O7 | 147.8° | 180.0° |
| C5 | C6 | C7 | H71 | 86.9° | 60.0° |
| C5 | C6 | C7 | H72 | 22.5° | 60.0° |
| H5 | C5 | C4 | CM4 | 179.7° | 174.6° |
| H5 | C5 | C6 | C7 | 179.6° | 54.8° |
| H5 | C5 | C6 | H61 | 54.4° | 65.2° |
| H5 | C5 | C6 | H62 | 55.2° | 174.8° |
| C4 | CM4 | HM41 | HM42 | 125.2° | 120.0° |
| C4 | CM4 | HM41 | HM43 | 125.4° | 120.0° |
| C4 | CM4 | HM42 | HM43 | 114.8° | 120.0° |
| HM41 | CM4 | HM42 | HM43 | 114.8° | 120.0° |
| C7 | C6 | H61 | H62 | 104.7° | 120.1° |
| C6 | C7 | O7 | H71 | 125.3° | 120.0° |
| C6 | C7 | O7 | H72 | 125.3° | 120.0° |
| C6 | C7 | H71 | H72 | 102.8° | 120.0° |
| C6 | C7 | O7 | PA | 0.5° | 180.0° |
| H61 | C6 | C7 | O7 | 22.6° | 60.0° |
| H61 | C6 | C7 | H71 | 147.9° | 180.0° |
| H61 | C6 | C7 | H72 | 102.7° | 60.0° |
| H62 | C6 | C7 | O7 | 86.9° | 60.0° |
| H62 | C6 | C7 | H71 | 38.4° | 60.0° |
| H62 | C6 | C7 | H72 | 147.7° | 180.0° |
| O7 | C7 | H71 | H72 | 102.8° | 120.0° |
| C7 | O7 | PA | O1A | 178.8° | 55.0° |
| C7 | O7 | PA | O2A | 58.7° | 65.0° |
| C7 | O7 | PA | O3A | 64.0° | 175.0° |
| H71 | C7 | O7 | PA | 124.8° | 60.0° |
| H72 | C7 | O7 | PA | 125.9° | 60.0° |
| O7 | PA | O1A | O2A | 123.4° | 120.0° |
| O7 | PA | O1A | O3A | 119.7° | 120.0° |
| O7 | PA | O2A | O3A | 121.9° | 120.0° |
| O7 | PA | O2A | H2A | 180.0° | 60.0° |
| O7 | PA | O3A | PB | 57.2° | 165.0° |
| O1A | PA | O2A | O3A | 112.9° | 120.0° |
| O1A | PA | O2A | H2A | 54.8° | 180.0° |
| O1A | PA | O3A | PB | 66.0° | 45.0° |
| O2A | PA | O3A | PB | 179.5° | 75.0° |
| O3A | PA | O2A | H2A | 58.2° | 60.0° |
| PA | O3A | PB | O1B | 93.4° | 40.0° |
| PA | O3A | PB | O2B | 144.9° | 80.0° |
| PA | O3A | PB | O3B | 28.0° | 160.0° |
| O3A | PB | O1B | O2B | 112.7° | 120.0° |
| O3A | PB | O1B | O3B | 111.6° | 120.0° |
| O3A | PB | O2B | O3B | 109.4° | 120.0° |
| O3A | PB | O2B | H2B | 180.0° | 60.0° |
| O3A | PB | O3B | H3B | 180.0° | 180.0° |
| O1B | PB | O2B | O3B | 137.3° | 120.0° |
| O1B | PB | O2B | H2B | 66.7° | 180.0° |
| O1B | PB | O3B | H3B | 67.2° | 60.0° |
| O2B | PB | O3B | H3B | 70.1° | 60.0° |
| O3B | PB | O2B | H2B | 70.6° | 60.0° |
