CC5
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C2 | doub | 1.32Å | 1.33Å | Aromatic |
| N1 | C6 | sing | 1.33Å | 1.34Å | Aromatic |
| C2 | N3 | sing | 1.32Å | 1.33Å | Aromatic |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| N3 | C4 | doub | 1.33Å | 1.34Å | Aromatic |
| C4 | N9 | sing | 1.37Å | 1.34Å | Aromatic |
| C4 | C5 | sing | 1.41Å | 1.38Å | Aromatic |
| N9 | C8 | sing | 1.36Å | 1.34Å | Aromatic |
| N9 | C1' | sing | 1.46Å | 1.48Å | |
| C8 | N7 | doub | 1.30Å | 1.34Å | Aromatic |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| N7 | C5 | sing | 1.35Å | 1.33Å | Aromatic |
| C5 | C6 | doub | 1.40Å | 1.41Å | Aromatic |
| C6 | N6 | sing | 1.38Å | 1.33Å | |
| N6 | H6N1 | sing | 0.97Å | 1.00Å | |
| N6 | H6N2 | sing | 0.97Å | 1.00Å | |
| C1' | C2' | sing | 1.54Å | 1.52Å | |
| C1' | O4' | sing | 1.45Å | 1.44Å | |
| C1' | H1' | sing | 1.09Å | 1.10Å | |
| C2' | C3' | sing | 1.55Å | 1.53Å | |
| C2' | O2' | sing | 1.43Å | 1.42Å | |
| C2' | H2' | sing | 1.09Å | 1.10Å | |
| C3' | C4' | sing | 1.55Å | 1.51Å | |
| C3' | O3' | sing | 1.43Å | 1.39Å | |
| C3' | H3' | sing | 1.09Å | 1.10Å | |
| C4' | O4' | sing | 1.44Å | 1.43Å | |
| C4' | H4'1 | sing | 1.09Å | 1.10Å | |
| C4' | H4'2 | sing | 1.09Å | 1.10Å | |
| O2' | HA | sing | 0.97Å | 0.95Å | |
| O3' | HB | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | N1 | C6 | 121.1° | 121.2° |
| N1 | C2 | N3 | 121.8° | 122.4° |
| N1 | C2 | H2 | 119.1° | 118.8° |
| N1 | C6 | C5 | 118.3° | 118.5° |
| N1 | C6 | N6 | 119.7° | 120.8° |
| N3 | C2 | H2 | 119.1° | 118.8° |
| C2 | N3 | C4 | 120.5° | 120.7° |
| N3 | C4 | N9 | 132.6° | 135.0° |
| N3 | C4 | C5 | 119.7° | 119.1° |
| N9 | C4 | C5 | 107.6° | 106.0° |
| C4 | N9 | C8 | 108.4° | 107.5° |
| C4 | N9 | C1' | 124.3° | 126.2° |
| C4 | C5 | N7 | 106.7° | 107.1° |
| C4 | C5 | C6 | 118.6° | 118.1° |
| C8 | N9 | C1' | 127.3° | 126.3° |
| N9 | C8 | N7 | 108.0° | 110.0° |
| N9 | C8 | H8 | 126.0° | 125.0° |
| N9 | C1' | C2' | 105.9° | 110.4° |
| N9 | C1' | O4' | 112.9° | 110.3° |
| N9 | C1' | H1' | 107.7° | 110.3° |
| N7 | C8 | H8 | 126.0° | 125.1° |
| C8 | N7 | C5 | 109.2° | 109.5° |
| N7 | C5 | C6 | 134.6° | 134.7° |
| C5 | C6 | N6 | 122.0° | 120.7° |
| C6 | N6 | H6N1 | 109.5° | 120.0° |
| C6 | N6 | H6N2 | 109.5° | 120.0° |
| H6N1 | N6 | H6N2 | 109.4° | 120.0° |
| C2' | C1' | O4' | 103.2° | 104.9° |
| C2' | C1' | H1' | 116.8° | 110.4° |
| C1' | C2' | C3' | 103.9° | 104.0° |
| C1' | C2' | O2' | 109.4° | 110.8° |
| C1' | C2' | H2' | 114.0° | 110.4° |
| O4' | C1' | H1' | 110.3° | 110.3° |
| C1' | O4' | C4' | 104.5° | 105.3° |
| C3' | C2' | O2' | 112.0° | 110.5° |
| C3' | C2' | H2' | 111.5° | 110.4° |
| C2' | C3' | C4' | 103.5° | 104.1° |
| C2' | C3' | O3' | 108.3° | 110.6° |
| C2' | C3' | H3' | 112.9° | 110.7° |
| O2' | C2' | H2' | 106.2° | 110.4° |
| C2' | O2' | HA | 109.5° | 106.9° |
| C4' | C3' | O3' | 106.1° | 110.5° |
| C4' | C3' | H3' | 114.9° | 110.5° |
| C3' | C4' | O4' | 100.2° | 104.8° |
| C3' | C4' | H4'1 | 114.6° | 110.4° |
| C3' | C4' | H4'2 | 112.7° | 110.3° |
| O3' | C3' | H3' | 110.6° | 110.4° |
| C3' | O3' | HB | 109.5° | 106.8° |
| O4' | C4' | H4'1 | 114.6° | 110.3° |
| O4' | C4' | H4'2 | 112.7° | 110.4° |
| H4'1 | C4' | H4'2 | 102.6° | 110.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N1 | C2 | N3 | H2 | 180.0° | 180.0° |
| N1 | C2 | N3 | C4 | 0.0° | 0.1° |
| C2 | N1 | C6 | C5 | 0.3° | 0.2° |
| C2 | N1 | C6 | N6 | 179.7° | 180.0° |
| C6 | N1 | C2 | N3 | 0.7° | 0.1° |
| C6 | N1 | C2 | H2 | 179.3° | 180.0° |
| N1 | C6 | C5 | C4 | 0.8° | 0.5° |
| N1 | C6 | C5 | N7 | 179.0° | 179.5° |
| N1 | C6 | C5 | N6 | 179.9° | 179.8° |
| N1 | C6 | N6 | H6N1 | 91.0° | 0.1° |
| N1 | C6 | N6 | H6N2 | 29.0° | 179.7° |
| C2 | N3 | C4 | N9 | 178.5° | 180.0° |
| C2 | N3 | C4 | C5 | 1.1° | 0.2° |
| H2 | C2 | N3 | C4 | 180.0° | 180.0° |
| N3 | C4 | N9 | C5 | 177.6° | 179.8° |
| N3 | C4 | N9 | C8 | 178.1° | 179.9° |
| N3 | C4 | N9 | C1' | 2.6° | 0.1° |
| N3 | C4 | C5 | N7 | 178.4° | 179.8° |
| N3 | C4 | C5 | C6 | 1.5° | 0.5° |
| C4 | N9 | C8 | C1' | 179.3° | 180.0° |
| C4 | N9 | C8 | N7 | 0.5° | 0.0° |
| C4 | N9 | C8 | H8 | 179.5° | 180.0° |
| N9 | C4 | C5 | N7 | 0.4° | 0.4° |
| N9 | C4 | C5 | C6 | 179.5° | 179.6° |
| C4 | N9 | C1' | C2' | 120.7° | 86.5° |
| C4 | N9 | C1' | O4' | 127.1° | 158.0° |
| C4 | N9 | C1' | H1' | 5.0° | 35.8° |
| C5 | C4 | N9 | C8 | 0.5° | 0.2° |
| C5 | C4 | N9 | C1' | 179.8° | 179.7° |
| C4 | C5 | N7 | C8 | 0.1° | 0.4° |
| C4 | C5 | N7 | C6 | 179.8° | 179.1° |
| C4 | C5 | C6 | N6 | 179.2° | 179.7° |
| N9 | C8 | N7 | H8 | 180.0° | 180.0° |
| N9 | C8 | N7 | C5 | 0.2° | 0.3° |
| C8 | N9 | C1' | C2' | 58.4° | 93.4° |
| C8 | N9 | C1' | O4' | 53.8° | 22.1° |
| C8 | N9 | C1' | H1' | 175.8° | 144.3° |
| C1' | N9 | C8 | N7 | 179.8° | 180.0° |
| C1' | N9 | C8 | H8 | 0.3° | 0.0° |
| N9 | C1' | C2' | O4' | 118.9° | 118.9° |
| N9 | C1' | C2' | H1' | 120.0° | 122.3° |
| N9 | C1' | O4' | H1' | 120.6° | 122.2° |
| N9 | C1' | C2' | C3' | 136.0° | 142.7° |
| N9 | C1' | C2' | O2' | 104.3° | 98.5° |
| N9 | C1' | C2' | H2' | 14.4° | 24.2° |
| N9 | C1' | O4' | C4' | 156.9° | 159.4° |
| C8 | N7 | C5 | C6 | 179.7° | 179.5° |
| H8 | C8 | N7 | C5 | 179.8° | 179.7° |
| N7 | C5 | C6 | N6 | 1.0° | 0.7° |
| C5 | C6 | N6 | H6N1 | 89.0° | 179.7° |
| C5 | C6 | N6 | H6N2 | 151.0° | 0.5° |
| C6 | N6 | H6N1 | H6N2 | 120.0° | 179.7° |
| C2' | C1' | O4' | H1' | 125.5° | 118.9° |
| C1' | C2' | C3' | O2' | 117.9° | 119.0° |
| C1' | C2' | C3' | H2' | 123.2° | 118.5° |
| C1' | C2' | O2' | H2' | 123.4° | 122.7° |
| C1' | C2' | C3' | C4' | 12.5° | 0.2° |
| C1' | C2' | C3' | O3' | 124.8° | 118.8° |
| C1' | C2' | C3' | H3' | 112.4° | 118.5° |
| C2' | C1' | O4' | C4' | 43.0° | 40.4° |
| C1' | C2' | O2' | HA | 96.1° | 176.2° |
| O4' | C1' | C2' | C3' | 17.1° | 23.8° |
| O4' | C1' | C2' | O2' | 136.8° | 142.6° |
| O4' | C1' | C2' | H2' | 104.5° | 94.7° |
| C1' | O4' | C4' | C3' | 50.7° | 40.5° |
| C1' | O4' | C4' | H4'1 | 173.9° | 159.3° |
| C1' | O4' | C4' | H4'2 | 69.3° | 78.3° |
| H1' | C1' | C2' | C3' | 104.1° | 95.1° |
| H1' | C1' | C2' | O2' | 15.7° | 23.7° |
| H1' | C1' | C2' | H2' | 134.4° | 146.4° |
| H1' | C1' | O4' | C4' | 82.5° | 78.5° |
| C3' | C2' | O2' | H2' | 121.9° | 122.5° |
| C2' | C3' | C4' | O3' | 113.9° | 118.7° |
| C2' | C3' | C4' | H3' | 123.6° | 118.8° |
| C2' | C3' | O3' | H3' | 124.2° | 122.8° |
| C2' | C3' | C4' | O4' | 37.7° | 24.1° |
| C2' | C3' | C4' | H4'1 | 161.0° | 142.9° |
| C2' | C3' | C4' | H4'2 | 82.2° | 94.7° |
| C3' | C2' | O2' | HA | 18.6° | 61.4° |
| C2' | C3' | O3' | HB | 56.4° | 176.1° |
| O2' | C2' | C3' | C4' | 105.5° | 118.8° |
| O2' | C2' | C3' | O3' | 6.9° | 0.2° |
| O2' | C2' | C3' | H3' | 129.7° | 122.5° |
| H2' | C2' | C3' | C4' | 135.7° | 118.7° |
| H2' | C2' | C3' | O3' | 112.0° | 122.7° |
| H2' | C2' | C3' | H3' | 10.8° | 0.0° |
| H2' | C2' | O2' | HA | 140.5° | 61.1° |
| C4' | C3' | O3' | H3' | 125.2° | 122.5° |
| C3' | C4' | O4' | H4'1 | 123.2° | 118.8° |
| C3' | C4' | O4' | H4'2 | 120.0° | 118.8° |
| C3' | C4' | H4'1 | H4'2 | 122.5° | 122.3° |
| C4' | C3' | O3' | HB | 167.0° | 61.4° |
| O3' | C3' | C4' | O4' | 151.6° | 142.8° |
| O3' | C3' | C4' | H4'1 | 85.1° | 98.4° |
| O3' | C3' | C4' | H4'2 | 31.7° | 24.0° |
| H3' | C3' | C4' | O4' | 85.8° | 94.7° |
| H3' | C3' | C4' | H4'1 | 37.4° | 24.1° |
| H3' | C3' | C4' | H4'2 | 154.2° | 146.5° |
| H3' | C3' | O3' | HB | 67.8° | 61.1° |
| O4' | C4' | H4'1 | H4'2 | 122.4° | 122.3° |
