N3T
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1' | C2' | doub | 1.32Å | 1.36Å | Aromatic |
| N1' | C6' | sing | 1.32Å | 1.38Å | Aromatic |
| C2' | CM2 | sing | 1.51Å | 1.47Å | |
| C2' | C3' | sing | 1.38Å | 1.39Å | Aromatic |
| CM2 | HM21 | sing | 1.09Å | 1.12Å | |
| CM2 | HM22 | sing | 1.09Å | 1.12Å | |
| CM2 | HM23 | sing | 1.09Å | 1.11Å | |
| C3' | C4' | doub | 1.39Å | 1.41Å | Aromatic |
| C3' | H3' | sing | 1.08Å | 1.10Å | |
| C4' | N4' | sing | 1.39Å | 1.29Å | |
| C4' | C5' | sing | 1.40Å | 1.42Å | Aromatic |
| N4' | HN41 | sing | 0.97Å | 1.02Å | |
| N4' | HN42 | sing | 0.97Å | 1.02Å | |
| C5' | C6' | doub | 1.38Å | 1.34Å | Aromatic |
| C5' | C7' | sing | 1.51Å | 1.51Å | |
| C6' | H6' | sing | 1.08Å | 1.10Å | |
| C7' | N3 | sing | 1.46Å | 1.54Å | |
| C7' | H7'1 | sing | 1.09Å | 1.11Å | |
| C7' | H7'2 | sing | 1.09Å | 1.12Å | |
| N3 | C2 | doub | 1.31Å | 1.35Å | Aromatic |
| N3 | C4 | sing | 1.32Å | 1.33Å | Aromatic |
| C2 | S1 | sing | 1.74Å | 1.68Å | Aromatic |
| C2 | H2 | sing | 1.08Å | 1.10Å | |
| S1 | C5 | sing | 1.79Å | 1.73Å | Aromatic |
| C5 | C4 | doub | 1.36Å | 1.35Å | Aromatic |
| C5 | C6 | sing | 1.51Å | 1.50Å | |
| 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 | 1.48Å | |
| C6 | H61 | sing | 1.09Å | 1.11Å | |
| 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 | 1.12Å | |
| O7 | PA | sing | 1.61Å | 1.53Å | |
| PA | O1A | doub | 1.61Å | 1.49Å | |
| PA | O2A | sing | 1.48Å | 1.51Å | |
| PA | O3A | sing | 1.61Å | 1.60Å | |
| O2A | HOA2 | sing | 4.15Å | 0.95Å | |
| O3A | PB | sing | 1.61Å | 1.60Å | |
| PB | O1B | doub | 1.61Å | 1.46Å | |
| PB | O2B | sing | 1.54Å | 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' | N1' | C6' | 120.7° | 121.9° |
| N1' | C2' | CM2 | 118.2° | 119.6° |
| N1' | C2' | C3' | 119.5° | 120.9° |
| N1' | C6' | C5' | 120.3° | 120.8° |
| N1' | C6' | H6' | 121.0° | 119.6° |
| CM2 | C2' | C3' | 119.5° | 119.6° |
| C2' | CM2 | HM21 | 118.2° | 109.5° |
| C2' | CM2 | HM22 | 109.1° | 109.4° |
| C2' | CM2 | HM23 | 109.1° | 109.5° |
| C2' | C3' | C4' | 115.6° | 119.1° |
| C2' | C3' | H3' | 121.8° | 120.5° |
| HM21 | CM2 | HM22 | 109.0° | 109.5° |
| HM21 | CM2 | HM23 | 109.1° | 109.5° |
| HM22 | CM2 | HM23 | 101.0° | 109.5° |
| C4' | C3' | H3' | 122.6° | 120.4° |
| C3' | C4' | N4' | 116.2° | 120.9° |
| C3' | C4' | C5' | 121.1° | 118.2° |
| N4' | C4' | C5' | 122.2° | 120.9° |
| C4' | N4' | HN41 | 116.2° | 120.0° |
| C4' | N4' | HN42 | 109.7° | 120.0° |
| C4' | C5' | C6' | 115.2° | 119.1° |
| C4' | C5' | C7' | 121.2° | 120.4° |
| HN41 | N4' | HN42 | 109.8° | 120.0° |
| C6' | C5' | C7' | 120.5° | 120.5° |
| C5' | C6' | H6' | 118.7° | 119.6° |
| C5' | C7' | N3 | 114.8° | 109.5° |
| C5' | C7' | H7'1 | 110.2° | 109.5° |
| C5' | C7' | H7'2 | 110.2° | 109.5° |
| N3 | C7' | H7'1 | 110.3° | 109.4° |
| N3 | C7' | H7'2 | 110.3° | 109.5° |
| C7' | N3 | C2 | 125.4° | 119.3° |
| C7' | N3 | C4 | 120.4° | 119.3° |
| H7'1 | C7' | H7'2 | 100.0° | 109.5° |
| C2 | N3 | C4 | 114.1° | 121.4° |
| N3 | C2 | S1 | 112.0° | 102.2° |
| N3 | C2 | H2 | 114.9° | 128.9° |
| N3 | C4 | C5 | 112.4° | 118.4° |
| N3 | C4 | CM4 | 120.6° | 120.8° |
| S1 | C2 | H2 | 133.1° | 128.9° |
| C2 | S1 | C5 | 89.5° | 97.4° |
| S1 | C5 | C4 | 111.0° | 100.6° |
| S1 | C5 | C6 | 123.5° | 129.7° |
| C4 | C5 | C6 | 125.4° | 129.7° |
| C5 | C4 | CM4 | 126.5° | 120.8° |
| C5 | C6 | C7 | 117.5° | 109.5° |
| C5 | C6 | H61 | 109.3° | 109.4° |
| C5 | C6 | H62 | 109.3° | 109.5° |
| C4 | CM4 | HM41 | 120.6° | 109.4° |
| C4 | CM4 | HM42 | 108.2° | 109.4° |
| C4 | CM4 | HM43 | 108.2° | 109.5° |
| HM41 | CM4 | HM42 | 108.2° | 109.5° |
| HM41 | CM4 | HM43 | 108.1° | 109.6° |
| HM42 | CM4 | HM43 | 101.7° | 109.5° |
| C7 | C6 | H61 | 109.3° | 109.5° |
| C7 | C6 | H62 | 109.3° | 109.5° |
| C6 | C7 | O7 | 96.6° | 109.4° |
| C6 | C7 | H71 | 117.2° | 109.5° |
| C6 | C7 | H72 | 117.2° | 109.5° |
| H61 | C6 | H62 | 100.8° | 109.5° |
| O7 | C7 | H71 | 117.2° | 109.5° |
| O7 | C7 | H72 | 117.2° | 109.5° |
| C7 | O7 | PA | 122.9° | 106.8° |
| H71 | C7 | H72 | 93.2° | 109.5° |
| O7 | PA | O1A | 105.4° | 109.5° |
| O7 | PA | O2A | 110.8° | 109.5° |
| O7 | PA | O3A | 108.8° | 109.5° |
| O1A | PA | O2A | 116.0° | 109.5° |
| O1A | PA | O3A | 110.7° | 109.5° |
| O2A | PA | O3A | 105.1° | 109.4° |
| PA | O2A | HOA2 | 110.8° | 66.9° |
| PA | O3A | PB | 137.2° | 106.8° |
| O3A | PB | O1B | 105.9° | 109.5° |
| O3A | PB | O2B | 99.5° | 109.5° |
| O3A | PB | O3B | 100.3° | 109.4° |
| O1B | PB | O2B | 118.3° | 109.5° |
| O1B | PB | O3B | 116.0° | 109.5° |
| O2B | PB | O3B | 113.2° | 109.5° |
| PB | O3B | HOB3 | 100.3° | 87.8° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N1' | C2' | CM2 | C3' | 161.0° | 179.8° |
| N1' | C2' | CM2 | HM21 | 180.0° | 90.2° |
| N1' | C2' | CM2 | HM22 | 54.7° | 29.8° |
| N1' | C2' | CM2 | HM23 | 54.7° | 149.8° |
| N1' | C2' | C3' | C4' | 13.3° | 0.2° |
| N1' | C2' | C3' | H3' | 166.7° | 179.8° |
| C2' | N1' | C6' | C5' | 0.8° | 0.5° |
| C2' | N1' | C6' | H6' | 179.2° | 179.8° |
| C6' | N1' | C2' | CM2 | 179.2° | 179.8° |
| C6' | N1' | C2' | C3' | 19.8° | 0.4° |
| N1' | C6' | C5' | C4' | 22.4° | 0.3° |
| N1' | C6' | C5' | H6' | 179.9° | 179.7° |
| N1' | C6' | C5' | C7' | 177.2° | 179.8° |
| C2' | CM2 | HM21 | HM22 | 125.3° | 119.9° |
| C2' | CM2 | HM21 | HM23 | 125.3° | 120.0° |
| C2' | CM2 | HM22 | HM23 | 114.8° | 120.0° |
| CM2 | C2' | C3' | C4' | 174.1° | 180.0° |
| CM2 | C2' | C3' | H3' | 5.9° | 0.0° |
| C3' | C2' | CM2 | HM21 | 19.0° | 90.0° |
| C3' | C2' | CM2 | HM22 | 144.2° | 150.0° |
| C3' | C2' | CM2 | HM23 | 106.3° | 30.0° |
| C2' | C3' | C4' | H3' | 180.0° | 179.9° |
| C2' | C3' | C4' | N4' | 177.7° | 180.0° |
| C2' | C3' | C4' | C5' | 10.7° | 0.0° |
| HM21 | CM2 | HM22 | HM23 | 114.8° | 120.1° |
| C3' | C4' | N4' | C5' | 171.5° | 180.0° |
| C3' | C4' | N4' | HN41 | 180.0° | 0.0° |
| C3' | C4' | N4' | HN42 | 54.7° | 180.0° |
| C3' | C4' | C5' | C6' | 28.6° | 0.0° |
| C3' | C4' | C5' | C7' | 171.2° | 180.0° |
| H3' | C3' | C4' | N4' | 2.3° | 0.0° |
| H3' | C3' | C4' | C5' | 169.3° | 180.0° |
| C4' | N4' | HN41 | HN42 | 125.2° | 180.0° |
| N4' | C4' | C5' | C6' | 160.4° | 180.0° |
| N4' | C4' | C5' | C7' | 0.1° | 0.0° |
| C5' | C4' | N4' | HN41 | 8.5° | 180.0° |
| C5' | C4' | N4' | HN42 | 133.8° | 0.0° |
| C4' | C5' | C6' | C7' | 160.4° | 180.0° |
| C4' | C5' | C6' | H6' | 157.6° | 180.0° |
| C4' | C5' | C7' | N3 | 71.7° | 85.0° |
| C4' | C5' | C7' | H7'1 | 53.6° | 155.0° |
| C4' | C5' | C7' | H7'2 | 163.1° | 35.0° |
| C6' | C5' | C7' | N3 | 129.1° | 95.0° |
| C6' | C5' | C7' | H7'1 | 105.6° | 25.0° |
| C6' | C5' | C7' | H7'2 | 3.9° | 145.0° |
| C7' | C5' | C6' | H6' | 2.7° | 0.0° |
| C5' | C7' | N3 | H7'1 | 125.2° | 120.0° |
| C5' | C7' | N3 | H7'2 | 125.2° | 120.1° |
| C5' | C7' | H7'1 | H7'2 | 116.1° | 120.0° |
| C5' | C7' | N3 | C2 | 87.0° | 94.0° |
| C5' | C7' | N3 | C4 | 94.1° | 85.7° |
| N3 | C7' | H7'1 | H7'2 | 116.1° | 120.0° |
| C7' | N3 | C2 | C4 | 178.9° | 179.7° |
| C7' | N3 | C2 | S1 | 177.2° | 180.0° |
| C7' | N3 | C2 | H2 | 2.8° | 0.0° |
| C7' | N3 | C4 | C5 | 172.0° | 179.7° |
| C7' | N3 | C4 | CM4 | 0.9° | 0.2° |
| H7'1 | C7' | N3 | C2 | 38.2° | 146.1° |
| H7'1 | C7' | N3 | C4 | 140.7° | 34.3° |
| H7'2 | C7' | N3 | C2 | 147.7° | 26.1° |
| H7'2 | C7' | N3 | C4 | 31.1° | 154.2° |
| N3 | C2 | S1 | H2 | 179.9° | 180.0° |
| N3 | C2 | S1 | C5 | 1.6° | 0.0° |
| C2 | N3 | C4 | C5 | 9.0° | 0.6° |
| C2 | N3 | C4 | CM4 | 178.1° | 179.9° |
| C4 | N3 | C2 | S1 | 3.9° | 0.3° |
| C4 | N3 | C2 | H2 | 176.2° | 179.7° |
| N3 | C4 | C5 | S1 | 10.0° | 0.5° |
| N3 | C4 | C5 | CM4 | 172.3° | 179.5° |
| N3 | C4 | C5 | C6 | 172.0° | 179.8° |
| N3 | C4 | CM4 | HM41 | 179.9° | 84.9° |
| N3 | C4 | CM4 | HM42 | 54.7° | 35.0° |
| N3 | C4 | CM4 | HM43 | 54.8° | 155.0° |
| C2 | S1 | C5 | C4 | 6.5° | 0.3° |
| C2 | S1 | C5 | C6 | 175.4° | 180.0° |
| H2 | C2 | S1 | C5 | 178.4° | 180.0° |
| S1 | C5 | C4 | C6 | 178.0° | 179.7° |
| S1 | C5 | C4 | CM4 | 177.7° | 180.0° |
| S1 | C5 | C6 | C7 | 21.8° | 90.0° |
| S1 | C5 | C6 | H61 | 147.1° | 30.0° |
| S1 | C5 | C6 | H62 | 103.5° | 150.0° |
| C5 | C4 | CM4 | HM41 | 8.2° | 95.6° |
| C5 | C4 | CM4 | HM42 | 133.5° | 144.5° |
| C5 | C4 | CM4 | HM43 | 117.0° | 24.5° |
| C4 | C5 | C6 | C7 | 156.0° | 90.3° |
| C4 | C5 | C6 | H61 | 30.7° | 149.7° |
| C4 | C5 | C6 | H62 | 78.7° | 29.7° |
| C6 | C5 | C4 | CM4 | 0.3° | 0.3° |
| C5 | C6 | C7 | H61 | 125.3° | 120.0° |
| C5 | C6 | C7 | H62 | 125.3° | 120.0° |
| C5 | C6 | H61 | H62 | 115.1° | 120.0° |
| C5 | C6 | C7 | O7 | 74.1° | 180.0° |
| C5 | C6 | C7 | H71 | 51.1° | 60.0° |
| C5 | C6 | C7 | H72 | 160.6° | 60.0° |
| C4 | CM4 | HM41 | HM42 | 125.3° | 119.9° |
| C4 | CM4 | HM41 | HM43 | 125.2° | 120.0° |
| C4 | CM4 | HM42 | HM43 | 113.9° | 120.0° |
| HM41 | CM4 | HM42 | HM43 | 113.8° | 120.1° |
| C7 | C6 | H61 | H62 | 115.0° | 120.1° |
| C6 | C7 | O7 | H71 | 125.2° | 120.0° |
| C6 | C7 | O7 | H72 | 125.2° | 120.0° |
| C6 | C7 | H71 | H72 | 122.9° | 120.0° |
| C6 | C7 | O7 | PA | 162.1° | 180.0° |
| H61 | C6 | C7 | O7 | 160.6° | 60.0° |
| H61 | C6 | C7 | H71 | 74.2° | 180.0° |
| H61 | C6 | C7 | H72 | 35.3° | 60.0° |
| H62 | C6 | C7 | O7 | 51.2° | 60.0° |
| H62 | C6 | C7 | H71 | 176.4° | 60.0° |
| H62 | C6 | C7 | H72 | 74.1° | 180.0° |
| O7 | C7 | H71 | H72 | 122.9° | 120.1° |
| C7 | O7 | PA | O1A | 171.7° | 65.0° |
| C7 | O7 | PA | O2A | 45.5° | 55.0° |
| C7 | O7 | PA | O3A | 69.5° | 175.0° |
| H71 | C7 | O7 | PA | 72.6° | 60.0° |
| H72 | C7 | O7 | PA | 36.9° | 60.0° |
| O7 | PA | O1A | O2A | 122.9° | 120.0° |
| O7 | PA | O1A | O3A | 117.5° | 120.0° |
| O7 | PA | O2A | O3A | 117.4° | 120.0° |
| O7 | PA | O2A | HOA2 | 180.0° | 37.3° |
| O7 | PA | O3A | PB | 113.0° | 160.0° |
| O1A | PA | O2A | O3A | 122.6° | 120.0° |
| O1A | PA | O2A | HOA2 | 59.9° | 82.7° |
| O1A | PA | O3A | PB | 131.6° | 79.9° |
| O2A | PA | O3A | PB | 5.7° | 40.0° |
| O3A | PA | O2A | HOA2 | 62.7° | 157.3° |
| PA | O3A | PB | O1B | 164.8° | 165.0° |
| PA | O3A | PB | O2B | 41.6° | 75.0° |
| PA | O3A | PB | O3B | 74.3° | 45.0° |
| O3A | PB | O1B | O2B | 110.4° | 120.0° |
| O3A | PB | O1B | O3B | 110.2° | 120.0° |
| O3A | PB | O2B | O3B | 105.6° | 120.0° |
| O3A | PB | O3B | HOB3 | 180.0° | 25.6° |
| O1B | PB | O2B | O3B | 140.5° | 120.0° |
| O1B | PB | O3B | HOB3 | 66.6° | 145.6° |
| O2B | PB | O3B | HOB3 | 74.9° | 94.4° |
