223
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C6 | sing | 1.35Å | 1.36Å | Aromatic |
| N1 | C2 | doub | 1.35Å | 1.48Å | Aromatic |
| C2 | N3 | sing | 1.35Å | 1.47Å | Aromatic |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C4 | C5 | sing | 1.39Å | 1.38Å | Aromatic |
| C4 | C9 | sing | 1.40Å | 1.38Å | Aromatic |
| C4 | N3 | doub | 1.36Å | 1.36Å | Aromatic |
| C5 | N7 | sing | 1.37Å | 1.35Å | Aromatic |
| C5 | C6 | doub | 1.38Å | 1.49Å | Aromatic |
| C6 | N6 | sing | 1.40Å | 1.25Å | |
| C8 | N7 | sing | 1.37Å | 1.35Å | Aromatic |
| C8 | C9 | doub | 1.36Å | 1.39Å | Aromatic |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| N6 | HN61 | sing | 1.00Å | 1.00Å | |
| N6 | HN62 | sing | 1.00Å | 1.00Å | |
| C9 | C10 | sing | 1.50Å | 1.51Å | |
| N7 | HN7 | sing | 1.01Å | 1.00Å | |
| C10 | N1' | sing | 1.46Å | 1.46Å | |
| C10 | H101 | sing | 1.10Å | 1.10Å | |
| C10 | H102 | sing | 1.09Å | 1.10Å | |
| N1' | C6' | sing | 1.46Å | 1.47Å | |
| N1' | C2' | sing | 1.47Å | 1.47Å | |
| C6' | C4' | sing | 1.52Å | 1.53Å | |
| C6' | H6'1 | sing | 1.09Å | 1.10Å | |
| C6' | H6'2 | sing | 1.10Å | 1.10Å | |
| C4' | C3' | sing | 1.53Å | 1.53Å | |
| C4' | C5' | sing | 1.52Å | 1.53Å | |
| C4' | H4' | sing | 1.10Å | 1.10Å | |
| C5' | O5' | sing | 1.42Å | 1.44Å | |
| C5' | H5'1 | sing | 1.09Å | 1.10Å | |
| C5' | H5'2 | sing | 1.09Å | 1.10Å | |
| O5' | HO5' | sing | 0.97Å | 0.95Å | |
| C3' | C2' | sing | 1.53Å | 1.52Å | |
| C3' | O3' | sing | 1.42Å | 1.42Å | |
| C3' | H3' | sing | 1.10Å | 1.10Å | |
| O3' | HO3' | sing | 0.97Å | 0.95Å | |
| C2' | H2'1 | sing | 1.10Å | 1.10Å | |
| C2' | H2'2 | sing | 1.10Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C6 | N1 | C2 | 122.9° | 117.4° |
| N1 | C6 | C5 | 119.3° | 118.3° |
| N1 | C6 | N6 | 121.0° | 120.5° |
| N1 | C2 | N3 | 114.9° | 128.7° |
| N1 | C2 | H2 | 122.5° | 115.7° |
| N3 | C2 | H2 | 122.6° | 115.7° |
| C2 | N3 | C4 | 121.1° | 112.8° |
| C5 | C4 | C9 | 108.5° | 106.7° |
| C5 | C4 | N3 | 124.0° | 122.6° |
| C4 | C5 | N7 | 108.1° | 107.3° |
| C4 | C5 | C6 | 117.9° | 120.3° |
| C9 | C4 | N3 | 127.6° | 130.7° |
| C4 | C9 | C8 | 105.7° | 108.9° |
| C4 | C9 | C10 | 128.1° | 125.8° |
| N7 | C5 | C6 | 134.0° | 132.5° |
| C5 | N7 | C8 | 108.5° | 109.8° |
| C5 | N7 | HN7 | 125.7° | 125.2° |
| C5 | C6 | N6 | 119.7° | 121.2° |
| C6 | N6 | HN61 | 109.5° | 119.5° |
| C6 | N6 | HN62 | 109.4° | 119.4° |
| N7 | C8 | C9 | 109.2° | 107.3° |
| N7 | C8 | H8 | 125.4° | 120.3° |
| C8 | N7 | HN7 | 125.8° | 125.0° |
| C9 | C8 | H8 | 125.4° | 132.4° |
| C8 | C9 | C10 | 126.1° | 125.3° |
| HN61 | N6 | HN62 | 109.5° | 120.8° |
| C9 | C10 | N1' | 119.4° | 111.9° |
| C9 | C10 | H101 | 106.3° | 110.6° |
| C9 | C10 | H102 | 104.0° | 111.1° |
| N1' | C10 | H101 | 106.3° | 107.9° |
| N1' | C10 | H102 | 104.0° | 107.8° |
| C10 | N1' | C6' | 114.2° | 112.6° |
| C10 | N1' | C2' | 107.5° | 112.6° |
| H101 | C10 | H102 | 117.7° | 107.3° |
| C6' | N1' | C2' | 109.6° | 105.8° |
| N1' | C6' | C4' | 106.1° | 101.0° |
| N1' | C6' | H6'1 | 110.6° | 111.9° |
| N1' | C6' | H6'2 | 111.3° | 111.9° |
| N1' | C2' | C3' | 104.8° | 104.5° |
| N1' | C2' | H2'1 | 111.1° | 110.9° |
| N1' | C2' | H2'2 | 112.1° | 111.0° |
| C4' | C6' | H6'1 | 110.6° | 111.5° |
| C4' | C6' | H6'2 | 111.4° | 111.4° |
| C6' | C4' | C3' | 106.0° | 103.3° |
| C6' | C4' | C5' | 112.1° | 112.9° |
| C6' | C4' | H4' | 110.8° | 109.5° |
| H6'1 | C6' | H6'2 | 106.9° | 108.9° |
| C3' | C4' | C5' | 111.5° | 113.2° |
| C3' | C4' | H4' | 111.4° | 109.8° |
| C4' | C3' | C2' | 107.0° | 105.2° |
| C4' | C3' | O3' | 110.6° | 109.5° |
| C4' | C3' | H3' | 109.4° | 112.0° |
| C5' | C4' | H4' | 105.2° | 108.0° |
| C4' | C5' | O5' | 113.3° | 108.7° |
| C4' | C5' | H5'1 | 108.2° | 110.2° |
| C4' | C5' | H5'2 | 107.3° | 110.2° |
| O5' | C5' | H5'1 | 108.2° | 109.1° |
| O5' | C5' | H5'2 | 107.3° | 109.1° |
| C5' | O5' | HO5' | 109.5° | 107.0° |
| H5'1 | C5' | H5'2 | 112.6° | 109.5° |
| C2' | C3' | O3' | 106.5° | 111.2° |
| C2' | C3' | H3' | 113.3° | 110.6° |
| C3' | C2' | H2'1 | 111.0° | 108.8° |
| C3' | C2' | H2'2 | 112.0° | 112.9° |
| O3' | C3' | H3' | 109.9° | 108.4° |
| C3' | O3' | HO3' | 109.5° | 106.9° |
| H2'1 | C2' | H2'2 | 106.0° | 108.7° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C6 | N1 | C2 | N3 | 0.2° | 0.0° |
| C6 | N1 | C2 | H2 | 179.8° | 180.0° |
| N1 | C6 | C5 | C4 | 0.2° | 0.0° |
| N1 | C6 | C5 | N7 | 179.3° | 179.9° |
| N1 | C6 | C5 | N6 | 179.8° | 180.0° |
| N1 | C6 | N6 | HN61 | 96.7° | 107.5° |
| N1 | C6 | N6 | HN62 | 143.3° | 66.3° |
| N1 | C2 | N3 | H2 | 180.0° | 180.0° |
| N1 | C2 | N3 | C4 | 0.1° | 0.0° |
| C2 | N1 | C6 | C5 | 0.2° | 0.0° |
| C2 | N1 | C6 | N6 | 180.0° | 180.0° |
| C2 | N3 | C4 | C5 | 0.6° | 0.0° |
| C2 | N3 | C4 | C9 | 179.1° | 179.9° |
| H2 | C2 | N3 | C4 | 179.9° | 180.0° |
| C5 | C4 | C9 | N3 | 179.7° | 180.0° |
| C4 | C5 | N7 | C6 | 179.1° | 179.9° |
| C4 | C5 | C6 | N6 | 179.6° | 180.0° |
| C4 | C5 | N7 | C8 | 0.3° | 0.0° |
| C5 | C4 | C9 | C8 | 0.5° | 0.0° |
| C5 | C4 | C9 | C10 | 176.9° | 179.9° |
| C4 | C5 | N7 | HN7 | 179.7° | 179.9° |
| C9 | C4 | C5 | N7 | 0.2° | 0.0° |
| C9 | C4 | C5 | C6 | 179.1° | 179.9° |
| C4 | C9 | C8 | N7 | 0.7° | 0.1° |
| C4 | C9 | C8 | C10 | 176.5° | 179.9° |
| C4 | C9 | C8 | H8 | 179.4° | 180.0° |
| C4 | C9 | C10 | N1' | 80.8° | 90.1° |
| C4 | C9 | C10 | H101 | 159.2° | 149.5° |
| C4 | C9 | C10 | H102 | 34.4° | 30.5° |
| N3 | C4 | C5 | N7 | 179.9° | 180.0° |
| N3 | C4 | C5 | C6 | 0.6° | 0.0° |
| N3 | C4 | C9 | C8 | 179.8° | 180.0° |
| N3 | C4 | C9 | C10 | 3.4° | 0.1° |
| N7 | C5 | C6 | N6 | 0.5° | 0.1° |
| C5 | N7 | C8 | HN7 | 180.0° | 179.9° |
| C5 | N7 | C8 | C9 | 0.6° | 0.1° |
| C5 | N7 | C8 | H8 | 179.4° | 180.0° |
| C6 | C5 | N7 | C8 | 179.4° | 180.0° |
| C5 | C6 | N6 | HN61 | 83.5° | 72.4° |
| C5 | C6 | N6 | HN62 | 36.5° | 113.7° |
| C6 | C5 | N7 | HN7 | 0.6° | 0.2° |
| C6 | N6 | HN61 | HN62 | 120.0° | 173.7° |
| N7 | C8 | C9 | H8 | 180.0° | 179.9° |
| N7 | C8 | C9 | C10 | 177.2° | 180.0° |
| C9 | C8 | N7 | HN7 | 179.4° | 179.9° |
| C8 | C9 | C10 | N1' | 103.4° | 90.0° |
| C8 | C9 | C10 | H101 | 16.6° | 30.4° |
| C8 | C9 | C10 | H102 | 141.4° | 149.4° |
| H8 | C8 | C9 | C10 | 2.8° | 0.1° |
| H8 | C8 | N7 | HN7 | 0.6° | 0.1° |
| C9 | C10 | N1' | H101 | 120.0° | 122.0° |
| C9 | C10 | N1' | H102 | 115.2° | 122.4° |
| C9 | C10 | H101 | H102 | 115.9° | 121.3° |
| C9 | C10 | N1' | C6' | 31.4° | 180.0° |
| C9 | C10 | N1' | C2' | 90.3° | 60.5° |
| N1' | C10 | H101 | H102 | 115.9° | 115.9° |
| C10 | N1' | C6' | C2' | 120.6° | 123.4° |
| C10 | N1' | C6' | C4' | 141.8° | 168.9° |
| C10 | N1' | C6' | H6'1 | 21.8° | 72.2° |
| C10 | N1' | C6' | H6'2 | 96.9° | 50.3° |
| C10 | N1' | C2' | C3' | 151.1° | 156.5° |
| C10 | N1' | C2' | H2'1 | 88.9° | 39.4° |
| C10 | N1' | C2' | H2'2 | 29.4° | 81.5° |
| H101 | C10 | N1' | C6' | 88.5° | 58.0° |
| H101 | C10 | N1' | C2' | 149.7° | 61.5° |
| H102 | C10 | N1' | C6' | 146.6° | 57.6° |
| H102 | C10 | N1' | C2' | 24.9° | 177.1° |
| N1' | C6' | C4' | H6'1 | 120.0° | 119.1° |
| N1' | C6' | C4' | H6'2 | 121.3° | 119.0° |
| N1' | C6' | H6'1 | H6'2 | 121.3° | 124.3° |
| N1' | C6' | C4' | C3' | 7.0° | 39.3° |
| N1' | C6' | C4' | C5' | 128.9° | 162.0° |
| N1' | C6' | C4' | H4' | 114.0° | 77.6° |
| C6' | N1' | C2' | C3' | 26.6° | 33.1° |
| C6' | N1' | C2' | H2'1 | 146.5° | 84.0° |
| C6' | N1' | C2' | H2'2 | 95.2° | 155.1° |
| C2' | N1' | C6' | C4' | 21.2° | 45.5° |
| C2' | N1' | C6' | H6'1 | 98.8° | 164.3° |
| C2' | N1' | C6' | H6'2 | 142.5° | 73.1° |
| N1' | C2' | C3' | C4' | 21.3° | 7.2° |
| N1' | C2' | C3' | H2'1 | 120.0° | 118.5° |
| N1' | C2' | C3' | H2'2 | 121.7° | 120.7° |
| N1' | C2' | C3' | O3' | 97.1° | 111.3° |
| N1' | C2' | C3' | H3' | 141.9° | 128.2° |
| N1' | C2' | H2'1 | H2'2 | 121.9° | 122.3° |
| C4' | C6' | H6'1 | H6'2 | 121.4° | 123.3° |
| C6' | C4' | C3' | C5' | 122.3° | 122.5° |
| C6' | C4' | C3' | H4' | 120.6° | 116.8° |
| C6' | C4' | C5' | H4' | 120.4° | 121.3° |
| C6' | C4' | C5' | O5' | 34.4° | 179.5° |
| C6' | C4' | C5' | H5'1 | 85.6° | 60.0° |
| C6' | C4' | C5' | H5'2 | 152.7° | 61.0° |
| C6' | C4' | C3' | C2' | 8.8° | 19.7° |
| C6' | C4' | C3' | O3' | 106.8° | 139.3° |
| C6' | C4' | C3' | H3' | 132.0° | 100.4° |
| H6'1 | C6' | C4' | C3' | 113.0° | 158.4° |
| H6'1 | C6' | C4' | C5' | 8.9° | 78.9° |
| H6'1 | C6' | C4' | H4' | 126.0° | 41.5° |
| H6'2 | C6' | C4' | C3' | 128.3° | 79.6° |
| H6'2 | C6' | C4' | C5' | 109.9° | 43.0° |
| H6'2 | C6' | C4' | H4' | 7.3° | 163.4° |
| C3' | C4' | C5' | H4' | 120.9° | 121.8° |
| C3' | C4' | C5' | O5' | 153.1° | 63.6° |
| C3' | C4' | C5' | H5'1 | 33.1° | 177.0° |
| C3' | C4' | C5' | H5'2 | 88.6° | 56.0° |
| C4' | C3' | C2' | O3' | 118.3° | 118.5° |
| C4' | C3' | C2' | H3' | 120.7° | 121.1° |
| C4' | C3' | O3' | H3' | 120.9° | 122.5° |
| C4' | C3' | O3' | HO3' | 73.9° | 176.1° |
| C4' | C3' | C2' | H2'1 | 141.3° | 111.3° |
| C4' | C3' | C2' | H2'2 | 100.5° | 127.9° |
| C4' | C5' | O5' | H5'1 | 120.0° | 120.2° |
| C4' | C5' | O5' | H5'2 | 118.3° | 120.2° |
| C4' | C5' | H5'1 | H5'2 | 118.4° | 121.4° |
| C4' | C5' | O5' | HO5' | 56.6° | 96.4° |
| C5' | C4' | C3' | C2' | 113.5° | 142.2° |
| C5' | C4' | C3' | O3' | 130.9° | 98.2° |
| C5' | C4' | C3' | H3' | 9.7° | 22.1° |
| H4' | C4' | C5' | O5' | 86.0° | 58.2° |
| H4' | C4' | C5' | H5'1 | 154.0° | 61.3° |
| H4' | C4' | C5' | H5'2 | 32.3° | 177.8° |
| H4' | C4' | C3' | C2' | 129.4° | 97.0° |
| H4' | C4' | C3' | O3' | 13.7° | 22.5° |
| H4' | C4' | C3' | H3' | 107.5° | 142.9° |
| O5' | C5' | H5'1 | H5'2 | 118.4° | 119.3° |
| H5'1 | C5' | O5' | HO5' | 63.4° | 23.8° |
| H5'2 | C5' | O5' | HO5' | 175.0° | 143.4° |
| C2' | C3' | O3' | H3' | 123.2° | 121.7° |
| C2' | C3' | O3' | HO3' | 42.0° | 68.1° |
| C3' | C2' | H2'1 | H2'2 | 121.9° | 123.4° |
| O3' | C3' | C2' | H2'1 | 22.9° | 130.2° |
| O3' | C3' | C2' | H2'2 | 141.2° | 9.4° |
| H3' | C3' | O3' | HO3' | 165.2° | 53.6° |
| H3' | C3' | C2' | H2'1 | 98.1° | 9.8° |
| H3' | C3' | C2' | H2'2 | 20.2° | 111.0° |
