22A
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C2 | sing | 1.36Å | 1.35Å | |
| N1 | HN1 | sing | 0.97Å | 1.00Å | |
| C2 | N3 | doub | 1.30Å | 1.34Å | |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C4 | N3 | sing | 1.35Å | 1.36Å | |
| C4 | C9 | sing | 1.41Å | 1.38Å | Aromatic |
| C5 | C4 | doub | 1.40Å | 1.41Å | Aromatic |
| C6 | N1 | sing | 1.35Å | 1.35Å | |
| C6 | C5 | sing | 1.41Å | 1.46Å | |
| O6 | C6 | doub | 1.22Å | 1.25Å | |
| N7 | C5 | sing | 1.38Å | 1.45Å | Aromatic |
| N7 | C8 | sing | 1.36Å | 1.38Å | Aromatic |
| C8 | C9 | doub | 1.35Å | 1.41Å | Aromatic |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| C9 | C10 | sing | 1.51Å | 1.51Å | |
| N1' | C2' | sing | 1.47Å | 1.47Å | |
| N1' | HN1' | sing | 1.01Å | 1.00Å | |
| C10 | N1' | sing | 1.47Å | 1.46Å | |
| C10 | H10 | sing | 1.09Å | 1.10Å | |
| C10 | H10A | sing | 1.09Å | 1.10Å | |
| C2' | C4' | sing | 1.53Å | 1.54Å | |
| C2' | C3' | sing | 1.53Å | 1.52Å | |
| C2' | H2' | sing | 1.09Å | 1.10Å | |
| C3' | O6' | sing | 1.43Å | 1.44Å | |
| C3' | H3' | sing | 1.09Å | 1.10Å | |
| C3' | H3'A | sing | 1.09Å | 1.10Å | |
| C4' | H4' | sing | 1.09Å | 1.10Å | |
| C4' | H4'A | sing | 1.09Å | 1.10Å | |
| O5' | C4' | sing | 1.43Å | 1.44Å | |
| O5' | HO5' | sing | 0.97Å | 0.95Å | |
| O6' | HO6' | sing | 0.97Å | 0.95Å | |
| N7 | H14 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | N1 | HN1 | 118.8° | 119.8° |
| N1 | C2 | N3 | 122.5° | 122.1° |
| N1 | C2 | H2 | 118.7° | 118.9° |
| C2 | N1 | C6 | 122.5° | 120.6° |
| HN1 | N1 | C6 | 118.8° | 119.7° |
| N3 | C2 | H2 | 118.8° | 118.9° |
| C2 | N3 | C4 | 119.1° | 121.0° |
| N3 | C4 | C9 | 130.7° | 134.0° |
| N3 | C4 | C5 | 120.6° | 119.4° |
| C9 | C4 | C5 | 108.2° | 106.6° |
| C4 | C9 | C8 | 105.4° | 107.9° |
| C4 | C9 | C10 | 128.5° | 126.1° |
| C4 | C5 | C6 | 117.3° | 118.5° |
| C4 | C5 | N7 | 108.6° | 107.3° |
| N1 | C6 | C5 | 116.4° | 118.4° |
| N1 | C6 | O6 | 121.4° | 120.8° |
| C5 | C6 | O6 | 121.4° | 120.7° |
| C6 | C5 | N7 | 130.6° | 134.2° |
| C5 | N7 | C8 | 102.8° | 108.8° |
| C5 | N7 | H14 | 128.6° | 125.5° |
| N7 | C8 | C9 | 113.5° | 109.4° |
| N7 | C8 | H8 | 123.3° | 125.3° |
| C8 | N7 | H14 | 128.6° | 125.7° |
| C9 | C8 | H8 | 123.2° | 125.3° |
| C8 | C9 | C10 | 125.9° | 126.0° |
| C9 | C10 | N1' | 106.8° | 109.5° |
| C9 | C10 | H10 | 110.4° | 109.5° |
| C9 | C10 | H10A | 110.4° | 109.5° |
| C2' | N1' | HN1' | 106.2° | 111.0° |
| C2' | N1' | C10 | 119.6° | 111.1° |
| N1' | C2' | C4' | 114.3° | 109.5° |
| N1' | C2' | C3' | 110.0° | 109.5° |
| N1' | C2' | H2' | 105.9° | 109.4° |
| HN1' | N1' | C10 | 106.2° | 111.0° |
| N1' | C10 | H10 | 110.4° | 109.5° |
| N1' | C10 | H10A | 110.4° | 109.4° |
| H10 | C10 | H10A | 108.5° | 109.4° |
| C4' | C2' | C3' | 110.0° | 109.5° |
| C4' | C2' | H2' | 105.9° | 109.5° |
| C2' | C4' | H4' | 107.8° | 109.5° |
| C2' | C4' | H4'A | 107.8° | 109.5° |
| C2' | C4' | O5' | 114.5° | 109.5° |
| C3' | C2' | H2' | 110.6° | 109.4° |
| C2' | C3' | O6' | 112.5° | 109.5° |
| C2' | C3' | H3' | 108.4° | 109.5° |
| C2' | C3' | H3'A | 108.5° | 109.5° |
| O6' | C3' | H3' | 108.5° | 109.5° |
| O6' | C3' | H3'A | 108.5° | 109.4° |
| C3' | O6' | HO6' | 109.5° | 114.1° |
| H3' | C3' | H3'A | 110.4° | 109.5° |
| H4' | C4' | H4'A | 111.1° | 109.5° |
| H4' | C4' | O5' | 107.8° | 109.4° |
| H4'A | C4' | O5' | 107.8° | 109.4° |
| C4' | O5' | HO5' | 109.5° | 114.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | N1 | HN1 | C6 | 180.0° | 179.7° |
| N1 | C2 | N3 | H2 | 180.0° | 180.0° |
| N1 | C2 | N3 | C4 | 0.6° | 0.0° |
| C2 | N1 | C6 | C5 | 8.1° | 0.5° |
| C2 | N1 | C6 | O6 | 178.1° | 180.0° |
| HN1 | N1 | C2 | N3 | 178.7° | 180.0° |
| HN1 | N1 | C2 | H2 | 1.3° | 0.0° |
| HN1 | N1 | C6 | C5 | 171.9° | 179.8° |
| HN1 | N1 | C6 | O6 | 1.9° | 0.3° |
| C2 | N3 | C4 | C9 | 177.7° | 179.9° |
| C2 | N3 | C4 | C5 | 7.3° | 0.1° |
| N3 | C2 | N1 | C6 | 1.3° | 0.3° |
| H2 | C2 | N3 | C4 | 179.4° | 180.0° |
| H2 | C2 | N1 | C6 | 178.7° | 179.7° |
| N3 | C4 | C9 | C5 | 171.3° | 180.0° |
| N3 | C4 | C5 | C6 | 14.0° | 0.2° |
| N3 | C4 | C5 | N7 | 175.3° | 180.0° |
| N3 | C4 | C9 | C8 | 179.3° | 180.0° |
| N3 | C4 | C9 | C10 | 5.0° | 0.1° |
| C9 | C4 | C5 | C6 | 173.7° | 179.8° |
| C9 | C4 | C5 | N7 | 12.3° | 0.0° |
| C4 | C9 | C8 | N7 | 0.8° | 0.0° |
| C4 | C9 | C8 | C10 | 175.8° | 179.9° |
| C4 | C9 | C8 | H8 | 179.2° | 180.0° |
| C4 | C9 | C10 | N1' | 99.8° | 80.0° |
| C4 | C9 | C10 | H10 | 140.2° | 160.0° |
| C4 | C9 | C10 | H10A | 20.2° | 40.0° |
| C4 | C5 | C6 | N1 | 14.0° | 0.5° |
| C4 | C5 | C6 | N7 | 156.5° | 179.8° |
| C4 | C5 | C6 | O6 | 176.0° | 179.9° |
| C4 | C5 | N7 | C8 | 11.2° | 0.1° |
| C5 | C4 | C9 | C8 | 8.0° | 0.0° |
| C5 | C4 | C9 | C10 | 176.3° | 179.9° |
| C4 | C5 | N7 | H14 | 168.8° | 180.0° |
| N1 | C6 | C5 | O6 | 170.0° | 179.5° |
| N1 | C6 | C5 | N7 | 170.5° | 179.7° |
| C6 | C5 | N7 | C8 | 169.2° | 179.8° |
| C6 | C5 | N7 | H14 | 10.7° | 0.2° |
| O6 | C6 | C5 | N7 | 19.5° | 0.3° |
| C5 | N7 | C8 | H14 | 180.0° | 180.0° |
| C5 | N7 | C8 | C9 | 6.4° | 0.1° |
| C5 | N7 | C8 | H8 | 173.6° | 180.0° |
| N7 | C8 | C9 | H8 | 180.0° | 180.0° |
| N7 | C8 | C9 | C10 | 176.6° | 180.0° |
| C8 | C9 | C10 | N1' | 75.1° | 99.9° |
| C8 | C9 | C10 | H10 | 44.9° | 20.1° |
| C8 | C9 | C10 | H10A | 164.9° | 140.1° |
| C9 | C8 | N7 | H14 | 173.5° | 180.0° |
| H8 | C8 | C9 | C10 | 3.4° | 0.1° |
| H8 | C8 | N7 | H14 | 6.5° | 0.0° |
| C9 | C10 | N1' | C2' | 69.5° | 180.0° |
| C9 | C10 | N1' | HN1' | 170.5° | 56.0° |
| C9 | C10 | N1' | H10 | 120.0° | 120.1° |
| C9 | C10 | N1' | H10A | 120.0° | 120.0° |
| C9 | C10 | H10 | H10A | 121.1° | 120.0° |
| C2' | N1' | HN1' | C10 | 128.4° | 124.0° |
| C2' | N1' | C10 | H10 | 170.5° | 60.0° |
| C2' | N1' | C10 | H10A | 50.5° | 60.0° |
| N1' | C2' | C4' | C3' | 124.3° | 120.1° |
| N1' | C2' | C4' | H2' | 116.2° | 120.0° |
| N1' | C2' | C3' | H2' | 116.6° | 119.9° |
| N1' | C2' | C3' | O6' | 40.4° | 65.0° |
| N1' | C2' | C3' | H3' | 79.6° | 175.0° |
| N1' | C2' | C3' | H3'A | 160.4° | 54.9° |
| N1' | C2' | C4' | H4' | 134.5° | 54.9° |
| N1' | C2' | C4' | H4'A | 105.5° | 175.0° |
| N1' | C2' | C4' | O5' | 14.5° | 65.1° |
| HN1' | N1' | C10 | H10 | 50.5° | 64.0° |
| HN1' | N1' | C10 | H10A | 69.5° | 176.1° |
| HN1' | N1' | C2' | C4' | 99.1° | 30.9° |
| HN1' | N1' | C2' | C3' | 25.2° | 151.0° |
| HN1' | N1' | C2' | H2' | 144.7° | 89.1° |
| N1' | C10 | H10 | H10A | 121.1° | 119.9° |
| C10 | N1' | C2' | C4' | 140.9° | 155.0° |
| C10 | N1' | C2' | C3' | 94.8° | 85.0° |
| C10 | N1' | C2' | H2' | 24.7° | 35.0° |
| C4' | C2' | C3' | H2' | 116.6° | 120.0° |
| C4' | C2' | C3' | O6' | 86.4° | 55.1° |
| C4' | C2' | C3' | H3' | 153.6° | 65.0° |
| C4' | C2' | C3' | H3'A | 33.6° | 175.0° |
| C2' | C4' | H4' | H4'A | 117.9° | 120.1° |
| C2' | C4' | H4' | O5' | 124.1° | 120.0° |
| C2' | C4' | H4'A | O5' | 124.1° | 120.0° |
| C2' | C4' | O5' | HO5' | 180.0° | 180.0° |
| C2' | C3' | O6' | H3' | 120.0° | 120.0° |
| C2' | C3' | O6' | H3'A | 120.0° | 120.0° |
| C2' | C3' | H3' | H3'A | 118.8° | 120.1° |
| C3' | C2' | C4' | H4' | 10.2° | 175.0° |
| C3' | C2' | C4' | H4'A | 130.2° | 64.9° |
| C3' | C2' | C4' | O5' | 109.8° | 55.0° |
| C2' | C3' | O6' | HO6' | 180.0° | 180.0° |
| H2' | C2' | C3' | O6' | 157.0° | 175.0° |
| H2' | C2' | C3' | H3' | 37.0° | 55.0° |
| H2' | C2' | C3' | H3'A | 83.0° | 65.0° |
| H2' | C2' | C4' | H4' | 109.3° | 65.0° |
| H2' | C2' | C4' | H4'A | 10.7° | 55.0° |
| H2' | C2' | C4' | O5' | 130.7° | 175.0° |
| O6' | C3' | H3' | H3'A | 118.8° | 119.9° |
| H3' | C3' | O6' | HO6' | 60.0° | 60.0° |
| H3'A | C3' | O6' | HO6' | 60.0° | 60.0° |
| H4' | C4' | H4'A | O5' | 117.9° | 119.9° |
| H4' | C4' | O5' | HO5' | 60.0° | 59.9° |
| H4'A | C4' | O5' | HO5' | 60.0° | 60.0° |
