R1T
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1' | C2' | sing | 1.32Å | 1.34Å | Aromatic |
| N1' | C6' | doub | 1.32Å | 1.37Å | Aromatic |
| C2' | N3' | doub | 1.32Å | 1.35Å | Aromatic |
| C2' | CM2 | sing | 1.51Å | 1.50Å | |
| CM2 | HM21 | sing | 1.09Å | 1.10Å | |
| CM2 | HM22 | sing | 1.09Å | 1.10Å | |
| CM2 | HM23 | sing | 1.09Å | 1.10Å | |
| N3' | C4' | sing | 1.33Å | 1.39Å | Aromatic |
| C4' | C5' | doub | 1.40Å | 1.46Å | Aromatic |
| C4' | N4' | sing | 1.38Å | 1.36Å | |
| N4' | H4'1 | sing | 0.97Å | 1.00Å | |
| N4' | H4'2 | sing | 0.97Å | 1.00Å | |
| C5' | C7' | sing | 1.51Å | 1.57Å | |
| C5' | C6' | sing | 1.38Å | 1.41Å | Aromatic |
| C6' | H6' | sing | 1.08Å | 1.08Å | |
| C7' | C3 | sing | 1.51Å | 1.56Å | |
| C7' | H7'1 | sing | 1.09Å | 1.10Å | |
| C7' | H7'2 | sing | 1.09Å | 1.10Å | |
| C3 | C2 | doub | 1.33Å | 1.36Å | Aromatic |
| C3 | C4 | sing | 1.38Å | 1.41Å | Aromatic |
| C2 | CP1 | sing | 1.51Å | 1.55Å | |
| C2 | S1 | sing | 1.76Å | 1.71Å | Aromatic |
| S1 | C5 | sing | 1.76Å | 1.77Å | Aromatic |
| C5 | C4 | doub | 1.33Å | 1.41Å | Aromatic |
| C5 | C6 | sing | 1.51Å | 1.50Å | |
| C4 | CM4 | sing | 1.51Å | 1.55Å | |
| CM4 | HM41 | sing | 1.09Å | 1.10Å | |
| CM4 | HM42 | sing | 1.09Å | 1.10Å | |
| CM4 | HM43 | sing | 1.09Å | 1.10Å | |
| C6 | H61 | sing | 1.09Å | 1.10Å | |
| C6 | H62 | sing | 1.09Å | 1.10Å | |
| C6 | C7 | sing | 1.53Å | 1.54Å | |
| C7 | H71 | sing | 1.09Å | 1.10Å | |
| C7 | H72 | sing | 1.09Å | 1.10Å | |
| C7 | O7 | sing | 1.43Å | 1.42Å | |
| O7 | PA | sing | 1.61Å | 1.61Å | |
| PA | O1A | doub | 1.48Å | 1.50Å | |
| PA | O2A | sing | 1.61Å | 1.58Å | |
| PA | O3A | sing | 1.61Å | 1.63Å | |
| O2A | H2A | sing | 0.97Å | 0.95Å | |
| O3A | PB | sing | 1.61Å | 1.67Å | |
| PB | O1B | doub | 1.48Å | 1.55Å | |
| PB | O2B | sing | 1.61Å | 1.58Å | |
| PB | O3B | sing | 1.61Å | 1.54Å | |
| O2B | H2B | sing | 0.97Å | 0.95Å | |
| O3B | H3B | sing | 0.97Å | 0.95Å | |
| CP1 | OP1 | sing | 1.43Å | 1.41Å | |
| CP1 | H1 | sing | 1.09Å | 1.10Å | |
| CP1 | CP2 | sing | 1.53Å | 1.55Å | |
| CP2 | HP21 | sing | 1.09Å | 1.10Å | |
| CP2 | HP22 | sing | 1.09Å | 1.10Å | |
| CP2 | HP23 | sing | 1.09Å | 1.10Å | |
| OP1 | HP1 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2' | N1' | C6' | 121.7° | 121.0° |
| N1' | C2' | N3' | 121.1° | 121.8° |
| N1' | C2' | CM2 | 119.2° | 119.1° |
| N1' | C6' | C5' | 120.8° | 119.3° |
| N1' | C6' | H6' | 119.6° | 120.4° |
| N3' | C2' | CM2 | 119.6° | 119.1° |
| C2' | N3' | C4' | 121.2° | 120.7° |
| C2' | CM2 | HM21 | 109.5° | 109.5° |
| C2' | CM2 | HM22 | 109.5° | 109.4° |
| C2' | CM2 | HM23 | 109.5° | 109.5° |
| HM21 | CM2 | HM22 | 109.5° | 109.5° |
| HM21 | CM2 | HM23 | 109.4° | 109.5° |
| HM22 | CM2 | HM23 | 109.5° | 109.5° |
| N3' | C4' | C5' | 118.9° | 118.9° |
| N3' | C4' | N4' | 119.2° | 120.6° |
| C5' | C4' | N4' | 121.8° | 120.5° |
| C4' | C5' | C7' | 125.2° | 120.8° |
| C4' | C5' | C6' | 116.3° | 118.3° |
| C4' | N4' | H4'1 | 109.5° | 120.0° |
| C4' | N4' | H4'2 | 109.4° | 120.0° |
| H4'1 | N4' | H4'2 | 109.4° | 120.0° |
| C7' | C5' | C6' | 118.5° | 120.9° |
| C5' | C7' | C3 | 115.2° | 109.5° |
| C5' | C7' | H7'1 | 107.6° | 109.5° |
| C5' | C7' | H7'2 | 106.3° | 109.5° |
| C5' | C6' | H6' | 119.6° | 120.4° |
| C3 | C7' | H7'1 | 107.6° | 109.5° |
| C3 | C7' | H7'2 | 106.3° | 109.4° |
| C7' | C3 | C2 | 121.1° | 122.5° |
| C7' | C3 | C4 | 122.0° | 122.6° |
| H7'1 | C7' | H7'2 | 114.1° | 109.5° |
| C2 | C3 | C4 | 116.7° | 114.9° |
| C3 | C2 | CP1 | 129.6° | 125.2° |
| C3 | C2 | S1 | 105.4° | 109.6° |
| C3 | C4 | C5 | 116.3° | 114.9° |
| C3 | C4 | CM4 | 122.8° | 122.5° |
| CP1 | C2 | S1 | 124.8° | 125.2° |
| C2 | CP1 | OP1 | 110.8° | 109.5° |
| C2 | CP1 | H1 | 109.0° | 109.4° |
| C2 | CP1 | CP2 | 109.9° | 109.5° |
| C2 | S1 | C5 | 99.3° | 90.9° |
| S1 | C5 | C4 | 102.2° | 109.6° |
| S1 | C5 | C6 | 126.1° | 125.2° |
| C4 | C5 | C6 | 131.6° | 125.2° |
| C5 | C4 | CM4 | 120.9° | 122.6° |
| C5 | C6 | H61 | 109.0° | 109.5° |
| C5 | C6 | H62 | 108.7° | 109.4° |
| C5 | C6 | C7 | 110.9° | 109.5° |
| C4 | CM4 | HM41 | 109.5° | 109.5° |
| C4 | CM4 | HM42 | 109.5° | 109.4° |
| C4 | CM4 | HM43 | 109.5° | 109.5° |
| HM41 | CM4 | HM42 | 109.5° | 109.5° |
| HM41 | CM4 | HM43 | 109.4° | 109.5° |
| HM42 | CM4 | HM43 | 109.5° | 109.5° |
| H61 | C6 | H62 | 110.6° | 109.5° |
| H61 | C6 | C7 | 109.0° | 109.5° |
| H62 | C6 | C7 | 108.7° | 109.4° |
| C6 | C7 | H71 | 110.6° | 109.5° |
| C6 | C7 | H72 | 111.3° | 109.4° |
| C6 | C7 | O7 | 106.2° | 109.5° |
| H71 | C7 | H72 | 107.0° | 109.5° |
| H71 | C7 | O7 | 110.6° | 109.5° |
| H72 | C7 | O7 | 111.2° | 109.4° |
| C7 | O7 | PA | 111.1° | 123.0° |
| O7 | PA | O1A | 111.9° | 109.5° |
| O7 | PA | O2A | 105.7° | 109.5° |
| O7 | PA | O3A | 114.0° | 109.4° |
| O1A | PA | O2A | 108.3° | 109.5° |
| O1A | PA | O3A | 108.0° | 109.5° |
| O2A | PA | O3A | 108.7° | 109.5° |
| PA | O2A | H2A | 109.5° | 114.0° |
| PA | O3A | PB | 116.5° | 133.9° |
| O3A | PB | O1B | 110.2° | 109.5° |
| O3A | PB | O2B | 105.3° | 109.4° |
| O3A | PB | O3B | 111.9° | 109.5° |
| O1B | PB | O2B | 110.9° | 109.5° |
| O1B | PB | O3B | 110.3° | 109.5° |
| O2B | PB | O3B | 108.1° | 109.5° |
| PB | O2B | H2B | 109.5° | 114.0° |
| PB | O3B | H3B | 109.5° | 114.0° |
| OP1 | CP1 | H1 | 107.4° | 109.5° |
| OP1 | CP1 | CP2 | 111.4° | 109.5° |
| CP1 | OP1 | HP1 | 109.5° | 114.0° |
| H1 | CP1 | CP2 | 108.4° | 109.5° |
| CP1 | CP2 | HP21 | 109.5° | 109.4° |
| CP1 | CP2 | HP22 | 109.4° | 109.4° |
| CP1 | CP2 | HP23 | 109.5° | 109.5° |
| HP21 | CP2 | HP22 | 109.5° | 109.5° |
| HP21 | CP2 | HP23 | 109.4° | 109.4° |
| HP22 | CP2 | HP23 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N1' | C2' | N3' | CM2 | 179.8° | 179.9° |
| N1' | C2' | CM2 | HM21 | 8.5° | 90.0° |
| N1' | C2' | CM2 | HM22 | 111.5° | 150.0° |
| N1' | C2' | CM2 | HM23 | 128.5° | 30.0° |
| N1' | C2' | N3' | C4' | 0.3° | 0.0° |
| C2' | N1' | C6' | C5' | 0.6° | 0.0° |
| C2' | N1' | C6' | H6' | 179.4° | 180.0° |
| C6' | N1' | C2' | N3' | 0.0° | 0.0° |
| C6' | N1' | C2' | CM2 | 179.8° | 180.0° |
| N1' | C6' | C5' | C4' | 0.9° | 0.0° |
| N1' | C6' | C5' | C7' | 178.6° | 180.0° |
| N1' | C6' | C5' | H6' | 180.0° | 180.0° |
| N3' | C2' | CM2 | HM21 | 171.7° | 89.9° |
| N3' | C2' | CM2 | HM22 | 68.3° | 30.1° |
| N3' | C2' | CM2 | HM23 | 51.7° | 150.0° |
| C2' | N3' | C4' | C5' | 0.1° | 0.0° |
| C2' | N3' | C4' | N4' | 179.8° | 180.0° |
| C2' | CM2 | HM21 | HM22 | 120.0° | 119.9° |
| C2' | CM2 | HM21 | HM23 | 120.0° | 120.0° |
| C2' | CM2 | HM22 | HM23 | 120.0° | 120.0° |
| CM2 | C2' | N3' | C4' | 179.9° | 180.0° |
| HM21 | CM2 | HM22 | HM23 | 120.0° | 120.0° |
| N3' | C4' | C5' | N4' | 179.9° | 180.0° |
| N3' | C4' | N4' | H4'1 | 28.4° | 5.5° |
| N3' | C4' | N4' | H4'2 | 148.4° | 174.3° |
| N3' | C4' | C5' | C7' | 178.2° | 180.0° |
| N3' | C4' | C5' | C6' | 0.6° | 0.0° |
| C5' | C4' | N4' | H4'1 | 151.5° | 174.5° |
| C5' | C4' | N4' | H4'2 | 31.5° | 5.7° |
| C4' | C5' | C7' | C6' | 177.6° | 180.0° |
| C4' | C5' | C6' | H6' | 179.1° | 180.0° |
| C4' | C5' | C7' | C3 | 61.6° | 174.5° |
| C4' | C5' | C7' | H7'1 | 58.4° | 54.5° |
| C4' | C5' | C7' | H7'2 | 179.0° | 65.5° |
| C4' | N4' | H4'1 | H4'2 | 120.0° | 179.8° |
| N4' | C4' | C5' | C7' | 1.7° | 0.0° |
| N4' | C4' | C5' | C6' | 179.3° | 180.0° |
| C7' | C5' | C6' | H6' | 1.4° | 0.0° |
| C5' | C7' | C3 | H7'1 | 120.0° | 120.1° |
| C5' | C7' | C3 | H7'2 | 117.4° | 120.0° |
| C5' | C7' | H7'1 | H7'2 | 117.6° | 120.0° |
| C5' | C7' | C3 | C2 | 106.5° | 88.5° |
| C5' | C7' | C3 | C4 | 77.0° | 91.8° |
| C6' | C5' | C7' | C3 | 120.9° | 5.4° |
| C6' | C5' | C7' | H7'1 | 119.1° | 125.5° |
| C6' | C5' | C7' | H7'2 | 3.5° | 114.5° |
| C3 | C7' | H7'1 | H7'2 | 117.7° | 120.0° |
| C7' | C3 | C2 | C4 | 176.7° | 179.7° |
| C7' | C3 | C2 | CP1 | 1.8° | 0.0° |
| C7' | C3 | C2 | S1 | 177.4° | 180.0° |
| C7' | C3 | C4 | C5 | 179.5° | 179.8° |
| C7' | C3 | C4 | CM4 | 0.7° | 0.0° |
| H7'1 | C7' | C3 | C2 | 13.5° | 31.5° |
| H7'1 | C7' | C3 | C4 | 163.0° | 148.2° |
| H7'2 | C7' | C3 | C2 | 136.1° | 151.5° |
| H7'2 | C7' | C3 | C4 | 40.4° | 28.2° |
| C3 | C2 | CP1 | S1 | 174.8° | 180.0° |
| C3 | C2 | S1 | C5 | 1.2° | 0.0° |
| C2 | C3 | C4 | C5 | 2.8° | 0.5° |
| C2 | C3 | C4 | CM4 | 177.5° | 179.7° |
| C3 | C2 | CP1 | OP1 | 82.3° | 135.0° |
| C3 | C2 | CP1 | H1 | 35.7° | 15.0° |
| C3 | C2 | CP1 | CP2 | 154.2° | 105.0° |
| C4 | C3 | C2 | CP1 | 174.9° | 179.8° |
| C4 | C3 | C2 | S1 | 0.6° | 0.3° |
| C3 | C4 | C5 | S1 | 3.2° | 0.4° |
| C3 | C4 | C5 | CM4 | 179.8° | 179.8° |
| C3 | C4 | C5 | C6 | 179.4° | 179.8° |
| C3 | C4 | CM4 | HM41 | 135.9° | 85.0° |
| C3 | C4 | CM4 | HM42 | 15.9° | 155.0° |
| C3 | C4 | CM4 | HM43 | 104.1° | 35.0° |
| CP1 | C2 | S1 | C5 | 177.0° | 180.0° |
| C2 | CP1 | OP1 | H1 | 118.9° | 119.9° |
| C2 | CP1 | OP1 | CP2 | 122.6° | 120.0° |
| C2 | CP1 | H1 | CP2 | 119.5° | 120.0° |
| C2 | CP1 | CP2 | HP21 | 136.6° | 60.0° |
| C2 | CP1 | CP2 | HP22 | 103.4° | 180.0° |
| C2 | CP1 | CP2 | HP23 | 16.7° | 59.9° |
| C2 | CP1 | OP1 | HP1 | 158.2° | 60.1° |
| C2 | S1 | C5 | C4 | 2.5° | 0.2° |
| C2 | S1 | C5 | C6 | 179.9° | 180.0° |
| S1 | C2 | CP1 | OP1 | 103.0° | 45.0° |
| S1 | C2 | CP1 | H1 | 139.1° | 165.0° |
| S1 | C2 | CP1 | CP2 | 20.5° | 75.1° |
| S1 | C5 | C4 | C6 | 177.4° | 179.8° |
| S1 | C5 | C4 | CM4 | 177.0° | 179.8° |
| S1 | C5 | C6 | H61 | 34.1° | 30.1° |
| S1 | C5 | C6 | H62 | 154.6° | 150.1° |
| S1 | C5 | C6 | C7 | 85.9° | 90.0° |
| C5 | C4 | CM4 | HM41 | 44.3° | 94.7° |
| C5 | C4 | CM4 | HM42 | 164.3° | 25.3° |
| C5 | C4 | CM4 | HM43 | 75.7° | 145.3° |
| C4 | C5 | C6 | H61 | 142.8° | 149.7° |
| C4 | C5 | C6 | H62 | 22.2° | 29.7° |
| C4 | C5 | C6 | C7 | 97.2° | 90.3° |
| C6 | C5 | C4 | CM4 | 0.4° | 0.0° |
| C5 | C6 | H61 | H62 | 119.4° | 120.0° |
| C5 | C6 | H61 | C7 | 121.2° | 120.1° |
| C5 | C6 | H62 | C7 | 120.8° | 120.0° |
| C5 | C6 | C7 | H71 | 51.9° | 59.9° |
| C5 | C6 | C7 | H72 | 66.9° | 60.1° |
| C5 | C6 | C7 | O7 | 171.9° | 180.0° |
| C4 | CM4 | HM41 | HM42 | 120.0° | 119.9° |
| C4 | CM4 | HM41 | HM43 | 120.0° | 120.0° |
| C4 | CM4 | HM42 | HM43 | 120.0° | 120.0° |
| HM41 | CM4 | HM42 | HM43 | 120.0° | 120.0° |
| H61 | C6 | H62 | C7 | 119.6° | 120.0° |
| H61 | C6 | C7 | H71 | 171.9° | 180.0° |
| H61 | C6 | C7 | H72 | 53.1° | 60.0° |
| H61 | C6 | C7 | O7 | 68.1° | 59.9° |
| H62 | C6 | C7 | H71 | 67.5° | 60.0° |
| H62 | C6 | C7 | H72 | 173.7° | 180.0° |
| H62 | C6 | C7 | O7 | 52.5° | 60.1° |
| C6 | C7 | H71 | H72 | 121.3° | 120.0° |
| C6 | C7 | H71 | O7 | 117.4° | 120.1° |
| C6 | C7 | H72 | O7 | 118.2° | 119.9° |
| C6 | C7 | O7 | PA | 166.9° | 180.0° |
| H71 | C7 | H72 | O7 | 120.9° | 120.0° |
| H71 | C7 | O7 | PA | 73.1° | 59.9° |
| H72 | C7 | O7 | PA | 45.6° | 60.1° |
| C7 | O7 | PA | O1A | 52.2° | 55.1° |
| C7 | O7 | PA | O2A | 169.9° | 65.0° |
| C7 | O7 | PA | O3A | 70.8° | 175.1° |
| O7 | PA | O1A | O2A | 116.1° | 120.0° |
| O7 | PA | O1A | O3A | 126.3° | 119.9° |
| O7 | PA | O2A | O3A | 122.8° | 119.9° |
| O7 | PA | O2A | H2A | 160.7° | 60.0° |
| O7 | PA | O3A | PB | 47.0° | 160.0° |
| O1A | PA | O2A | O3A | 117.1° | 120.1° |
| O1A | PA | O2A | H2A | 40.6° | 179.9° |
| O1A | PA | O3A | PB | 172.1° | 40.1° |
| O2A | PA | O3A | PB | 70.6° | 80.0° |
| O3A | PA | O2A | H2A | 76.5° | 60.0° |
| PA | O3A | PB | O1B | 46.2° | 45.0° |
| PA | O3A | PB | O2B | 165.8° | 165.0° |
| PA | O3A | PB | O3B | 76.9° | 75.0° |
| O3A | PB | O1B | O2B | 116.2° | 120.0° |
| O3A | PB | O1B | O3B | 124.1° | 120.0° |
| O3A | PB | O2B | O3B | 119.8° | 120.0° |
| O3A | PB | O2B | H2B | 30.7° | 179.9° |
| O3A | PB | O3B | H3B | 133.7° | 60.0° |
| O1B | PB | O2B | O3B | 121.0° | 120.0° |
| O1B | PB | O2B | H2B | 149.8° | 60.0° |
| O1B | PB | O3B | H3B | 10.6° | 180.0° |
| O2B | PB | O3B | H3B | 110.8° | 60.0° |
| O3B | PB | O2B | H2B | 89.1° | 60.0° |
| OP1 | CP1 | H1 | CP2 | 120.4° | 120.1° |
| OP1 | CP1 | CP2 | HP21 | 13.5° | 60.0° |
| OP1 | CP1 | CP2 | HP22 | 133.5° | 60.0° |
| OP1 | CP1 | CP2 | HP23 | 106.5° | 180.0° |
| H1 | CP1 | CP2 | HP21 | 104.4° | 179.9° |
| H1 | CP1 | CP2 | HP22 | 15.6° | 60.1° |
| H1 | CP1 | CP2 | HP23 | 135.6° | 60.0° |
| H1 | CP1 | OP1 | HP1 | 39.3° | 180.0° |
| CP1 | CP2 | HP21 | HP22 | 120.0° | 120.0° |
| CP1 | CP2 | HP21 | HP23 | 120.0° | 120.0° |
| CP1 | CP2 | HP22 | HP23 | 120.0° | 120.0° |
| CP2 | CP1 | OP1 | HP1 | 79.2° | 60.0° |
| HP21 | CP2 | HP22 | HP23 | 120.0° | 120.0° |
