EFA
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C2 | doub | 1.33Å | 1.36Å | Aromatic |
| N1 | C6 | sing | 1.33Å | 1.33Å | Aromatic |
| C2 | N3 | sing | 1.33Å | 1.32Å | Aromatic |
| C2 | CAF | sing | 1.43Å | 1.33Å | |
| N3 | C4 | doub | 1.33Å | 1.34Å | Aromatic |
| C4 | C5 | sing | 1.41Å | 1.35Å | Aromatic |
| C4 | N9 | sing | 1.37Å | 1.32Å | Aromatic |
| C5 | C6 | doub | 1.41Å | 1.35Å | Aromatic |
| C5 | N7 | sing | 1.35Å | 1.34Å | Aromatic |
| C6 | N6 | sing | 1.38Å | 1.34Å | |
| N7 | C8 | doub | 1.30Å | 1.33Å | Aromatic |
| C8 | N9 | sing | 1.36Å | 1.32Å | Aromatic |
| N9 | C1' | sing | 1.46Å | 1.47Å | |
| C1' | C2' | sing | 1.55Å | 1.54Å | |
| C1' | O4' | sing | 1.44Å | 1.42Å | |
| C2' | O2' | sing | 1.43Å | 1.37Å | |
| C2' | C3' | sing | 1.55Å | 1.54Å | |
| C3' | O3' | sing | 1.43Å | 1.43Å | |
| C3' | C4' | sing | 1.54Å | 1.48Å | |
| C4' | O4' | sing | 1.44Å | 1.45Å | |
| C4' | C5' | sing | 1.53Å | 1.50Å | |
| C5' | F5' | sing | 1.40Å | 1.14Å | |
| CAA | CAF | trip | 1.17Å | 1.20Å | |
| N6 | HN6 | sing | 0.97Å | 1.00Å | |
| N6 | HN6A | sing | 0.97Å | 1.00Å | |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| C1' | H1' | sing | 1.09Å | 1.10Å | |
| C2' | H2' | sing | 1.09Å | 1.10Å | |
| O2' | HO2' | sing | 0.97Å | 0.95Å | |
| C3' | H3' | sing | 1.09Å | 1.10Å | |
| O3' | HO3' | sing | 0.97Å | 0.95Å | |
| C4' | H4' | sing | 1.09Å | 1.10Å | |
| C5' | H5' | sing | 1.09Å | 1.10Å | |
| C5' | H5'A | sing | 1.09Å | 1.10Å | |
| CAA | HAA | sing | 1.05Å | 1.06Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | N1 | C6 | 120.1° | 121.1° |
| N1 | C2 | N3 | 121.5° | 122.2° |
| N1 | C2 | CAF | 118.7° | 118.9° |
| N1 | C6 | C5 | 119.1° | 118.6° |
| N1 | C6 | N6 | 122.2° | 120.7° |
| N3 | C2 | CAF | 119.8° | 118.9° |
| C2 | N3 | C4 | 117.8° | 120.6° |
| C2 | CAF | CAA | 179.2° | 180.0° |
| N3 | C4 | C5 | 121.7° | 119.1° |
| N3 | C4 | N9 | 130.5° | 134.8° |
| C5 | C4 | N9 | 107.8° | 106.0° |
| C4 | C5 | C6 | 119.8° | 118.3° |
| C4 | C5 | N7 | 108.3° | 107.1° |
| C4 | N9 | C8 | 107.9° | 107.4° |
| C4 | N9 | C1' | 125.0° | 126.3° |
| C6 | C5 | N7 | 131.9° | 134.6° |
| C5 | C6 | N6 | 118.7° | 120.7° |
| C5 | N7 | C8 | 106.5° | 109.5° |
| C6 | N6 | HN6 | 109.5° | 120.0° |
| C6 | N6 | HN6A | 109.5° | 120.0° |
| N7 | C8 | N9 | 109.5° | 110.0° |
| N7 | C8 | H8 | 125.3° | 124.9° |
| C8 | N9 | C1' | 127.1° | 126.3° |
| N9 | C8 | H8 | 125.3° | 125.1° |
| N9 | C1' | C2' | 111.8° | 110.6° |
| N9 | C1' | O4' | 107.3° | 110.6° |
| N9 | C1' | H1' | 110.7° | 110.5° |
| C2' | C1' | O4' | 105.6° | 103.5° |
| C1' | C2' | O2' | 111.3° | 110.9° |
| C1' | C2' | C3' | 104.4° | 102.1° |
| C2' | C1' | H1' | 109.8° | 110.6° |
| C1' | C2' | H2' | 109.0° | 110.9° |
| C1' | O4' | C4' | 100.1° | 107.0° |
| O4' | C1' | H1' | 111.6° | 110.7° |
| O2' | C2' | C3' | 111.6° | 110.9° |
| O2' | C2' | H2' | 111.4° | 110.8° |
| C2' | O2' | HO2' | 109.5° | 114.0° |
| C2' | C3' | O3' | 116.5° | 110.5° |
| C2' | C3' | C4' | 98.3° | 104.1° |
| C3' | C2' | H2' | 108.9° | 110.9° |
| C2' | C3' | H3' | 109.9° | 110.5° |
| O3' | C3' | C4' | 109.3° | 110.5° |
| O3' | C3' | H3' | 111.4° | 110.5° |
| C3' | O3' | HO3' | 109.5° | 114.0° |
| C3' | C4' | O4' | 104.9° | 107.3° |
| C3' | C4' | C5' | 108.5° | 109.9° |
| C4' | C3' | H3' | 110.7° | 110.6° |
| C3' | C4' | H4' | 111.1° | 109.9° |
| O4' | C4' | C5' | 109.5° | 109.8° |
| O4' | C4' | H4' | 111.7° | 109.9° |
| C4' | C5' | F5' | 103.0° | 109.5° |
| C5' | C4' | H4' | 110.8° | 110.0° |
| C4' | C5' | H5' | 111.0° | 109.4° |
| C4' | C5' | H5'A | 111.0° | 109.5° |
| F5' | C5' | H5' | 111.1° | 109.5° |
| F5' | C5' | H5'A | 111.1° | 109.5° |
| CAF | CAA | HAA | 180.0° | 180.0° |
| HN6 | N6 | HN6A | 109.5° | 120.0° |
| H5' | C5' | H5'A | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N1 | C2 | N3 | CAF | 178.9° | 179.9° |
| N1 | C2 | N3 | C4 | 0.0° | 0.1° |
| C2 | N1 | C6 | C5 | 0.0° | 0.1° |
| C2 | N1 | C6 | N6 | 179.8° | 180.0° |
| N1 | C2 | CAF | CAA | 159.3° | 30.3° |
| C6 | N1 | C2 | N3 | 0.4° | 0.1° |
| C6 | N1 | C2 | CAF | 179.4° | 180.0° |
| N1 | C6 | C5 | C4 | 0.9° | 0.1° |
| N1 | C6 | C5 | N6 | 179.7° | 179.9° |
| N1 | C6 | C5 | N7 | 179.5° | 180.0° |
| N1 | C6 | N6 | HN6 | 0.0° | 0.0° |
| N1 | C6 | N6 | HN6A | 120.0° | 180.0° |
| C2 | N3 | C4 | C5 | 0.9° | 0.1° |
| C2 | N3 | C4 | N9 | 178.8° | 180.0° |
| N3 | C2 | CAF | CAA | 21.8° | 149.6° |
| CAF | C2 | N3 | C4 | 178.9° | 180.0° |
| C2 | CAF | CAA | HAA | 139.2° | 153.3° |
| N3 | C4 | C5 | N9 | 178.4° | 179.9° |
| N3 | C4 | C5 | C6 | 1.3° | 0.1° |
| N3 | C4 | C5 | N7 | 179.8° | 180.0° |
| N3 | C4 | N9 | C8 | 179.4° | 179.9° |
| N3 | C4 | N9 | C1' | 0.6° | 0.1° |
| C4 | C5 | C6 | N7 | 178.6° | 179.9° |
| C4 | C5 | C6 | N6 | 179.4° | 180.0° |
| C4 | C5 | N7 | C8 | 1.0° | 0.0° |
| C5 | C4 | N9 | C8 | 1.2° | 0.1° |
| C5 | C4 | N9 | C1' | 178.8° | 180.0° |
| N9 | C4 | C5 | C6 | 179.7° | 180.0° |
| N9 | C4 | C5 | N7 | 1.4° | 0.1° |
| C4 | N9 | C8 | N7 | 0.6° | 0.1° |
| C4 | N9 | C8 | C1' | 180.0° | 180.0° |
| C4 | N9 | C1' | C2' | 115.4° | 85.0° |
| C4 | N9 | C1' | O4' | 129.3° | 161.0° |
| C4 | N9 | C8 | H8 | 179.4° | 180.0° |
| C4 | N9 | C1' | H1' | 7.3° | 37.9° |
| C6 | C5 | N7 | C8 | 179.8° | 180.0° |
| C5 | C6 | N6 | HN6 | 179.7° | 179.9° |
| C5 | C6 | N6 | HN6A | 60.3° | 0.0° |
| N7 | C5 | C6 | N6 | 0.8° | 0.1° |
| C5 | N7 | C8 | N9 | 0.3° | 0.0° |
| C5 | N7 | C8 | H8 | 179.7° | 180.0° |
| C6 | N6 | HN6 | HN6A | 120.0° | 180.0° |
| N7 | C8 | N9 | H8 | 180.0° | 180.0° |
| N7 | C8 | N9 | C1' | 179.4° | 180.0° |
| C8 | N9 | C1' | C2' | 64.6° | 95.0° |
| C8 | N9 | C1' | O4' | 50.7° | 19.1° |
| C8 | N9 | C1' | H1' | 172.7° | 142.1° |
| N9 | C1' | C2' | O4' | 116.3° | 118.5° |
| N9 | C1' | C2' | H1' | 123.3° | 122.9° |
| N9 | C1' | O4' | H1' | 121.4° | 122.9° |
| N9 | C1' | C2' | O2' | 112.3° | 86.3° |
| N9 | C1' | C2' | C3' | 127.2° | 155.5° |
| N9 | C1' | O4' | C4' | 157.0° | 158.6° |
| C1' | N9 | C8 | H8 | 0.6° | 0.0° |
| N9 | C1' | C2' | H2' | 11.0° | 37.3° |
| C2' | C1' | O4' | H1' | 119.2° | 118.5° |
| C1' | C2' | O2' | C3' | 116.1° | 112.7° |
| C1' | C2' | O2' | H2' | 121.9° | 123.6° |
| C1' | C2' | C3' | H2' | 116.3° | 118.2° |
| C1' | C2' | C3' | O3' | 136.0° | 97.8° |
| C1' | C2' | C3' | C4' | 19.6° | 20.9° |
| C2' | C1' | O4' | C4' | 37.6° | 40.1° |
| C1' | C2' | O2' | HO2' | 180.0° | 179.9° |
| C1' | C2' | C3' | H3' | 96.0° | 139.7° |
| O4' | C1' | C2' | O2' | 131.4° | 155.2° |
| O4' | C1' | C2' | C3' | 10.9° | 37.0° |
| C1' | O4' | C4' | C3' | 53.3° | 26.5° |
| C1' | O4' | C4' | C5' | 169.6° | 146.0° |
| O4' | C1' | C2' | H2' | 105.3° | 81.2° |
| C1' | O4' | C4' | H4' | 67.2° | 92.9° |
| O2' | C2' | C3' | H2' | 123.4° | 123.6° |
| O2' | C2' | C3' | O3' | 15.8° | 20.4° |
| O2' | C2' | C3' | C4' | 100.7° | 139.1° |
| O2' | C2' | C1' | H1' | 10.9° | 36.6° |
| O2' | C2' | C3' | H3' | 143.7° | 102.1° |
| C2' | C3' | O3' | C4' | 110.2° | 114.7° |
| C2' | C3' | O3' | H3' | 127.2° | 122.6° |
| C2' | C3' | C4' | H3' | 115.0° | 118.7° |
| C2' | C3' | C4' | O4' | 44.5° | 2.1° |
| C2' | C3' | C4' | C5' | 161.5° | 121.5° |
| C3' | C2' | C1' | H1' | 109.5° | 81.6° |
| C3' | C2' | O2' | HO2' | 63.9° | 67.3° |
| C2' | C3' | O3' | HO3' | 180.0° | 180.0° |
| C2' | C3' | C4' | H4' | 76.4° | 117.4° |
| O3' | C3' | C4' | H3' | 123.1° | 122.6° |
| O3' | C3' | C4' | O4' | 166.3° | 120.7° |
| O3' | C3' | C4' | C5' | 76.7° | 119.9° |
| O3' | C3' | C2' | H2' | 107.7° | 144.0° |
| O3' | C3' | C4' | H4' | 45.4° | 1.3° |
| C3' | C4' | O4' | C5' | 116.3° | 119.4° |
| C3' | C4' | O4' | H4' | 120.5° | 119.5° |
| C3' | C4' | C5' | H4' | 122.3° | 121.1° |
| C3' | C4' | C5' | F5' | 136.3° | 175.0° |
| C4' | C3' | C2' | H2' | 135.9° | 97.3° |
| C4' | C3' | O3' | HO3' | 69.9° | 65.3° |
| C3' | C4' | C5' | H5' | 17.4° | 54.9° |
| C3' | C4' | C5' | H5'A | 104.7° | 65.0° |
| O4' | C4' | C5' | H4' | 123.7° | 121.1° |
| O4' | C4' | C5' | F5' | 109.6° | 67.2° |
| C4' | O4' | C1' | H1' | 81.6° | 78.5° |
| O4' | C4' | C3' | H3' | 70.5° | 116.7° |
| O4' | C4' | C5' | H5' | 131.4° | 172.8° |
| O4' | C4' | C5' | H5'A | 9.3° | 52.8° |
| C4' | C5' | F5' | H5' | 118.9° | 120.0° |
| C4' | C5' | F5' | H5'A | 118.9° | 120.0° |
| C5' | C4' | C3' | H3' | 46.4° | 2.7° |
| C4' | C5' | H5' | H5'A | 123.0° | 119.9° |
| F5' | C5' | C4' | H4' | 14.1° | 53.9° |
| F5' | C5' | H5' | H5'A | 123.0° | 120.0° |
| H1' | C1' | C2' | H2' | 134.2° | 160.2° |
| H2' | C2' | O2' | HO2' | 58.2° | 56.3° |
| H2' | C2' | C3' | H3' | 20.2° | 21.4° |
| H3' | C3' | O3' | HO3' | 52.8° | 57.4° |
| H3' | C3' | C4' | H4' | 168.6° | 123.9° |
| H4' | C4' | C5' | H5' | 104.9° | 66.2° |
| H4' | C4' | C5' | H5'A | 133.0° | 173.9° |
