N1T
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1' | C2' | sing | 1.38Å | 1.44Å | Aromatic |
| C1' | C6' | doub | 1.39Å | 1.46Å | Aromatic |
| C1' | H1' | sing | 1.08Å | 1.10Å | |
| C2' | CM2 | sing | 1.51Å | 1.47Å | |
| C2' | N3' | doub | 1.32Å | 1.33Å | Aromatic |
| CM2 | HM21 | sing | 1.09Å | 1.12Å | |
| CM2 | HM22 | sing | 1.09Å | 1.11Å | |
| CM2 | HM23 | sing | 1.09Å | 1.11Å | |
| N3' | C4' | sing | 1.32Å | 1.36Å | Aromatic |
| C4' | N4' | sing | 1.39Å | 1.29Å | |
| C4' | C5' | doub | 1.39Å | 1.43Å | Aromatic |
| N4' | HN41 | sing | 0.97Å | 1.02Å | |
| N4' | HN42 | sing | 0.97Å | 1.02Å | |
| C5' | C6' | sing | 1.38Å | 1.35Å | Aromatic |
| C5' | C7' | sing | 1.51Å | 1.52Å | |
| C6' | H6' | sing | 1.08Å | 1.10Å | |
| C7' | N3 | sing | 1.46Å | 1.51Å | |
| C7' | H7'1 | sing | 1.09Å | 1.11Å | |
| C7' | H7'2 | sing | 1.09Å | 1.12Å | |
| N3 | C2 | doub | 1.31Å | 1.33Å | Aromatic |
| N3 | C4 | sing | 1.32Å | 1.34Å | Aromatic |
| C2 | S1 | sing | 1.74Å | 1.67Å | Aromatic |
| C2 | H2 | sing | 1.08Å | 1.10Å | |
| S1 | C5 | sing | 1.79Å | 1.70Å | Aromatic |
| C5 | C4 | doub | 1.36Å | 1.38Å | Aromatic |
| C5 | C6 | sing | 1.51Å | 1.51Å | |
| C4 | CM4 | sing | 1.51Å | 1.51Å | |
| CM4 | HM41 | sing | 1.09Å | 1.12Å | |
| CM4 | HM42 | sing | 1.09Å | 1.11Å | |
| CM4 | HM43 | sing | 1.09Å | 1.12Å | |
| C6 | C7 | sing | 1.53Å | 1.50Å | |
| C6 | H61 | sing | 1.09Å | 1.12Å | |
| C6 | H62 | sing | 1.09Å | 1.12Å | |
| C7 | O7 | sing | 1.43Å | 1.42Å | |
| C7 | H71 | sing | 1.09Å | 1.11Å | |
| C7 | H72 | sing | 1.09Å | 1.11Å | |
| O7 | PA | sing | 1.61Å | 1.57Å | |
| PA | O1A | doub | 1.61Å | 1.50Å | |
| PA | O2A | sing | 1.48Å | 1.50Å | |
| PA | O3A | sing | 1.61Å | 1.58Å | |
| O2A | HOA2 | sing | 4.15Å | 0.95Å | |
| O3A | PB | sing | 1.61Å | 1.57Å | |
| PB | O1B | doub | 1.61Å | 1.46Å | |
| PB | O2B | sing | 1.55Å | 1.49Å | |
| PB | O3B | sing | 1.55Å | 1.46Å | |
| O3B | HOB3 | sing | 6.26Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2' | C1' | C6' | 117.6° | 119.4° |
| C2' | C1' | H1' | 120.6° | 120.3° |
| C1' | C2' | CM2 | 118.8° | 119.6° |
| C1' | C2' | N3' | 119.3° | 120.8° |
| C6' | C1' | H1' | 121.8° | 120.3° |
| C1' | C6' | C5' | 120.9° | 118.5° |
| C1' | C6' | H6' | 123.2° | 120.8° |
| CM2 | C2' | N3' | 120.9° | 119.5° |
| C2' | CM2 | HM21 | 118.9° | 109.5° |
| C2' | CM2 | HM22 | 108.9° | 109.5° |
| C2' | CM2 | HM23 | 108.9° | 109.5° |
| C2' | N3' | C4' | 120.4° | 121.6° |
| HM21 | CM2 | HM22 | 108.8° | 109.5° |
| HM21 | CM2 | HM23 | 108.8° | 109.5° |
| HM22 | CM2 | HM23 | 101.2° | 109.4° |
| N3' | C4' | N4' | 114.2° | 119.7° |
| N3' | C4' | C5' | 123.0° | 120.6° |
| N4' | C4' | C5' | 122.3° | 119.7° |
| C4' | N4' | HN41 | 114.1° | 120.0° |
| C4' | N4' | HN42 | 110.4° | 120.0° |
| C4' | C5' | C6' | 116.7° | 119.1° |
| C4' | C5' | C7' | 122.9° | 120.5° |
| HN41 | N4' | HN42 | 110.6° | 120.0° |
| C6' | C5' | C7' | 118.6° | 120.4° |
| C5' | C6' | H6' | 115.9° | 120.8° |
| C5' | C7' | N3 | 116.3° | 109.5° |
| C5' | C7' | H7'1 | 109.7° | 109.5° |
| C5' | C7' | H7'2 | 109.7° | 109.4° |
| N3 | C7' | H7'1 | 109.8° | 109.5° |
| N3 | C7' | H7'2 | 109.8° | 109.5° |
| C7' | N3 | C2 | 122.4° | 119.3° |
| C7' | N3 | C4 | 122.4° | 119.2° |
| H7'1 | C7' | H7'2 | 100.5° | 109.5° |
| C2 | N3 | C4 | 114.1° | 121.5° |
| N3 | C2 | S1 | 112.4° | 102.1° |
| N3 | C2 | H2 | 114.3° | 128.9° |
| N3 | C4 | C5 | 111.1° | 118.4° |
| N3 | C4 | CM4 | 119.4° | 120.8° |
| S1 | C2 | H2 | 133.3° | 128.9° |
| C2 | S1 | C5 | 90.5° | 97.4° |
| S1 | C5 | C4 | 110.6° | 100.6° |
| S1 | C5 | C6 | 120.0° | 129.7° |
| C4 | C5 | C6 | 127.4° | 129.7° |
| C5 | C4 | CM4 | 125.1° | 120.8° |
| C5 | C6 | C7 | 116.5° | 109.4° |
| C5 | C6 | H61 | 109.7° | 109.5° |
| C5 | C6 | H62 | 109.7° | 109.4° |
| C4 | CM4 | HM41 | 119.4° | 109.5° |
| C4 | CM4 | HM42 | 108.7° | 109.4° |
| C4 | CM4 | HM43 | 108.7° | 109.5° |
| HM41 | CM4 | HM42 | 108.7° | 109.4° |
| HM41 | CM4 | HM43 | 108.6° | 109.5° |
| HM42 | CM4 | HM43 | 101.4° | 109.5° |
| C7 | C6 | H61 | 109.7° | 109.5° |
| C7 | C6 | H62 | 109.7° | 109.4° |
| C6 | C7 | O7 | 99.6° | 109.5° |
| C6 | C7 | H71 | 116.0° | 109.5° |
| C6 | C7 | H72 | 116.0° | 109.5° |
| H61 | C6 | H62 | 100.4° | 109.5° |
| O7 | C7 | H71 | 116.0° | 109.5° |
| O7 | C7 | H72 | 116.0° | 109.4° |
| C7 | O7 | PA | 130.5° | 106.8° |
| H71 | C7 | H72 | 94.4° | 109.5° |
| O7 | PA | O1A | 103.0° | 109.5° |
| O7 | PA | O2A | 117.1° | 109.4° |
| O7 | PA | O3A | 108.9° | 109.5° |
| O1A | PA | O2A | 116.8° | 109.5° |
| O1A | PA | O3A | 106.8° | 109.5° |
| O2A | PA | O3A | 103.8° | 109.5° |
| PA | O2A | HOA2 | 117.1° | 67.2° |
| PA | O3A | PB | 137.5° | 106.8° |
| O3A | PB | O1B | 95.2° | 109.5° |
| O3A | PB | O2B | 100.8° | 109.5° |
| O3A | PB | O3B | 105.8° | 109.4° |
| O1B | PB | O2B | 125.0° | 109.5° |
| O1B | PB | O3B | 115.0° | 109.4° |
| O2B | PB | O3B | 110.4° | 109.5° |
| PB | O3B | HOB3 | 105.8° | 87.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2' | C1' | C6' | H1' | 180.0° | 180.0° |
| C1' | C2' | CM2 | N3' | 168.6° | 179.7° |
| C1' | C2' | CM2 | HM21 | 180.0° | 90.0° |
| C1' | C2' | CM2 | HM22 | 54.7° | 150.0° |
| C1' | C2' | CM2 | HM23 | 54.7° | 30.0° |
| C1' | C2' | N3' | C4' | 16.6° | 0.6° |
| C2' | C1' | C6' | C5' | 0.5° | 0.0° |
| C2' | C1' | C6' | H6' | 179.5° | 179.9° |
| C6' | C1' | C2' | CM2 | 179.0° | 180.0° |
| C6' | C1' | C2' | N3' | 12.3° | 0.3° |
| C1' | C6' | C5' | C4' | 8.2° | 0.1° |
| C1' | C6' | C5' | H6' | 180.0° | 179.9° |
| C1' | C6' | C5' | C7' | 173.4° | 180.0° |
| H1' | C1' | C2' | CM2 | 1.0° | 0.0° |
| H1' | C1' | C2' | N3' | 167.7° | 179.8° |
| H1' | C1' | C6' | C5' | 179.5° | 179.9° |
| H1' | C1' | C6' | H6' | 0.5° | 0.1° |
| C2' | CM2 | HM21 | HM22 | 125.3° | 120.0° |
| C2' | CM2 | HM21 | HM23 | 125.3° | 120.0° |
| C2' | CM2 | HM22 | HM23 | 114.6° | 120.0° |
| CM2 | C2' | N3' | C4' | 174.9° | 179.7° |
| N3' | C2' | CM2 | HM21 | 11.5° | 90.3° |
| N3' | C2' | CM2 | HM22 | 136.7° | 29.8° |
| N3' | C2' | CM2 | HM23 | 113.8° | 149.7° |
| C2' | N3' | C4' | N4' | 179.9° | 179.7° |
| C2' | N3' | C4' | C5' | 8.6° | 0.5° |
| HM21 | CM2 | HM22 | HM23 | 114.5° | 120.0° |
| N3' | C4' | N4' | C5' | 171.6° | 179.7° |
| N3' | C4' | N4' | HN41 | 180.0° | 179.7° |
| N3' | C4' | N4' | HN42 | 54.7° | 0.3° |
| N3' | C4' | C5' | C6' | 4.3° | 0.2° |
| N3' | C4' | C5' | C7' | 168.7° | 179.7° |
| C4' | N4' | HN41 | HN42 | 125.3° | 180.0° |
| N4' | C4' | C5' | C6' | 166.6° | 179.9° |
| N4' | C4' | C5' | C7' | 2.2° | 0.0° |
| C5' | C4' | N4' | HN41 | 8.4° | 0.0° |
| C5' | C4' | N4' | HN42 | 117.0° | 180.0° |
| C4' | C5' | C6' | C7' | 165.2° | 180.0° |
| C4' | C5' | C6' | H6' | 171.8° | 179.9° |
| C4' | C5' | C7' | N3 | 75.8° | 85.0° |
| C4' | C5' | C7' | H7'1 | 49.5° | 155.0° |
| C4' | C5' | C7' | H7'2 | 159.0° | 35.0° |
| C6' | C5' | C7' | N3 | 120.1° | 95.0° |
| C6' | C5' | C7' | H7'1 | 114.7° | 25.0° |
| C6' | C5' | C7' | H7'2 | 5.2° | 145.0° |
| C7' | C5' | C6' | H6' | 6.6° | 0.1° |
| C5' | C7' | N3 | H7'1 | 125.3° | 120.0° |
| C5' | C7' | N3 | H7'2 | 125.2° | 120.0° |
| C5' | C7' | H7'1 | H7'2 | 115.5° | 119.9° |
| C5' | C7' | N3 | C2 | 81.0° | 94.0° |
| C5' | C7' | N3 | C4 | 86.6° | 85.7° |
| N3 | C7' | H7'1 | H7'2 | 115.6° | 120.0° |
| C7' | N3 | C2 | C4 | 168.5° | 179.7° |
| C7' | N3 | C2 | S1 | 164.4° | 180.0° |
| C7' | N3 | C2 | H2 | 15.6° | 0.1° |
| C7' | N3 | C4 | C5 | 158.2° | 179.8° |
| C7' | N3 | C4 | CM4 | 0.4° | 0.2° |
| H7'1 | C7' | N3 | C2 | 44.3° | 146.0° |
| H7'1 | C7' | N3 | C4 | 148.2° | 34.3° |
| H7'2 | C7' | N3 | C2 | 153.8° | 26.0° |
| H7'2 | C7' | N3 | C4 | 38.6° | 154.3° |
| N3 | C2 | S1 | H2 | 180.0° | 179.9° |
| N3 | C2 | S1 | C5 | 2.5° | 0.0° |
| C2 | N3 | C4 | C5 | 10.3° | 0.5° |
| C2 | N3 | C4 | CM4 | 168.1° | 179.9° |
| C4 | N3 | C2 | S1 | 4.1° | 0.3° |
| C4 | N3 | C2 | H2 | 175.9° | 179.8° |
| N3 | C4 | C5 | S1 | 11.8° | 0.4° |
| N3 | C4 | C5 | CM4 | 156.2° | 179.6° |
| N3 | C4 | C5 | C6 | 152.1° | 179.8° |
| N3 | C4 | CM4 | HM41 | 180.0° | 84.9° |
| N3 | C4 | CM4 | HM42 | 54.7° | 35.1° |
| N3 | C4 | CM4 | HM43 | 54.8° | 155.1° |
| C2 | S1 | C5 | C4 | 8.1° | 0.2° |
| C2 | S1 | C5 | C6 | 157.2° | 180.0° |
| H2 | C2 | S1 | C5 | 177.5° | 179.9° |
| S1 | C5 | C4 | C6 | 163.9° | 179.7° |
| S1 | C5 | C4 | CM4 | 168.1° | 180.0° |
| S1 | C5 | C6 | C7 | 52.1° | 90.1° |
| S1 | C5 | C6 | H61 | 177.4° | 29.9° |
| S1 | C5 | C6 | H62 | 73.2° | 150.0° |
| C5 | C4 | CM4 | HM41 | 25.5° | 95.5° |
| C5 | C4 | CM4 | HM42 | 150.9° | 144.5° |
| C5 | C4 | CM4 | HM43 | 99.6° | 24.5° |
| C4 | C5 | C6 | C7 | 145.3° | 90.2° |
| C4 | C5 | C6 | H61 | 20.0° | 149.7° |
| C4 | C5 | C6 | H62 | 89.4° | 29.7° |
| C6 | C5 | C4 | CM4 | 4.1° | 0.2° |
| C5 | C6 | C7 | H61 | 125.3° | 120.1° |
| C5 | C6 | C7 | H62 | 125.3° | 119.9° |
| C5 | C6 | H61 | H62 | 115.4° | 120.0° |
| C5 | C6 | C7 | O7 | 80.3° | 180.0° |
| C5 | C6 | C7 | H71 | 44.9° | 59.9° |
| C5 | C6 | C7 | H72 | 154.5° | 60.1° |
| C4 | CM4 | HM41 | HM42 | 125.3° | 120.0° |
| C4 | CM4 | HM41 | HM43 | 125.2° | 120.0° |
| C4 | CM4 | HM42 | HM43 | 114.3° | 120.0° |
| HM41 | CM4 | HM42 | HM43 | 114.3° | 120.0° |
| C7 | C6 | H61 | H62 | 115.4° | 120.0° |
| C6 | C7 | O7 | H71 | 125.3° | 120.0° |
| C6 | C7 | O7 | H72 | 125.2° | 120.0° |
| C6 | C7 | H71 | H72 | 121.8° | 120.0° |
| C6 | C7 | O7 | PA | 151.6° | 180.0° |
| H61 | C6 | C7 | O7 | 154.3° | 59.9° |
| H61 | C6 | C7 | H71 | 80.4° | 180.0° |
| H61 | C6 | C7 | H72 | 29.1° | 60.0° |
| H62 | C6 | C7 | O7 | 45.0° | 60.1° |
| H62 | C6 | C7 | H71 | 170.2° | 60.0° |
| H62 | C6 | C7 | H72 | 80.3° | 180.0° |
| O7 | C7 | H71 | H72 | 121.8° | 120.0° |
| C7 | O7 | PA | O1A | 152.9° | 64.9° |
| C7 | O7 | PA | O2A | 23.2° | 55.0° |
| C7 | O7 | PA | O3A | 94.0° | 175.0° |
| H71 | C7 | O7 | PA | 83.2° | 60.0° |
| H72 | C7 | O7 | PA | 26.3° | 60.0° |
| O7 | PA | O1A | O2A | 129.8° | 119.9° |
| O7 | PA | O1A | O3A | 114.6° | 120.0° |
| O7 | PA | O2A | O3A | 120.0° | 120.0° |
| O7 | PA | O2A | HOA2 | 180.0° | 37.3° |
| O7 | PA | O3A | PB | 111.4° | 160.0° |
| O1A | PA | O2A | O3A | 117.2° | 120.1° |
| O1A | PA | O2A | HOA2 | 57.1° | 82.7° |
| O1A | PA | O3A | PB | 138.0° | 80.0° |
| O2A | PA | O3A | PB | 14.0° | 40.1° |
| O3A | PA | O2A | HOA2 | 60.1° | 157.2° |
| PA | O3A | PB | O1B | 179.3° | 165.0° |
| PA | O3A | PB | O2B | 53.5° | 74.9° |
| PA | O3A | PB | O3B | 61.5° | 45.0° |
| O3A | PB | O1B | O2B | 107.0° | 120.1° |
| O3A | PB | O1B | O3B | 110.1° | 120.0° |
| O3A | PB | O2B | O3B | 111.5° | 120.0° |
| O3A | PB | O3B | HOB3 | 180.0° | 25.6° |
| O1B | PB | O2B | O3B | 144.3° | 120.0° |
| O1B | PB | O3B | HOB3 | 76.4° | 145.6° |
| O2B | PB | O3B | HOB3 | 71.7° | 94.4° |
