MXA
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C2 | doub | 1.32Å | 1.32Å | Aromatic |
| N1 | C8A | sing | 1.34Å | 1.36Å | Aromatic |
| C2 | N2 | sing | 1.38Å | 1.35Å | |
| C2 | N3 | sing | 1.33Å | 1.32Å | Aromatic |
| N2 | HN21 | sing | 0.97Å | 1.02Å | |
| N2 | HN22 | sing | 0.97Å | 1.02Å | |
| N3 | C4 | doub | 1.33Å | 1.31Å | Aromatic |
| C4 | N4 | sing | 1.38Å | 1.36Å | |
| C4 | C4A | sing | 1.42Å | 1.44Å | Aromatic |
| N4 | HN41 | sing | 0.97Å | 1.02Å | |
| N4 | HN42 | sing | 0.97Å | 1.02Å | |
| C4A | C5 | sing | 1.40Å | 1.40Å | Aromatic |
| C4A | C8A | doub | 1.42Å | 1.43Å | Aromatic |
| C5 | C5M | sing | 1.51Å | 1.51Å | |
| C5 | C6 | doub | 1.37Å | 1.37Å | Aromatic |
| C5M | H5M1 | sing | 1.09Å | 1.11Å | |
| C5M | H5M2 | sing | 1.09Å | 1.12Å | |
| C5M | H5M3 | sing | 1.09Å | 1.12Å | |
| C6 | C7 | sing | 1.39Å | 1.40Å | Aromatic |
| C6 | C9 | sing | 1.51Å | 1.52Å | |
| C7 | N8 | doub | 1.31Å | 1.33Å | Aromatic |
| C7 | H7 | sing | 1.08Å | 1.10Å | |
| N8 | C8A | sing | 1.33Å | 1.35Å | Aromatic |
| C9 | C1' | sing | 1.51Å | 1.50Å | |
| C9 | H91 | sing | 1.09Å | 1.11Å | |
| C9 | H92 | sing | 1.09Å | 1.12Å | |
| C1' | C2' | doub | 1.39Å | 1.38Å | Aromatic |
| C1' | C6' | sing | 1.38Å | 1.36Å | Aromatic |
| C2' | O2' | sing | 1.36Å | 1.38Å | |
| C2' | C3' | sing | 1.39Å | 1.39Å | Aromatic |
| O2' | C21 | sing | 1.43Å | 1.41Å | |
| C21 | H211 | sing | 1.09Å | 1.12Å | |
| C21 | H212 | sing | 1.09Å | 1.11Å | |
| C21 | H213 | sing | 1.09Å | 1.11Å | |
| C3' | C4' | doub | 1.38Å | 1.39Å | Aromatic |
| C3' | H3' | sing | 1.08Å | 1.10Å | |
| C4' | C5' | sing | 1.39Å | 1.37Å | Aromatic |
| C4' | H4' | sing | 1.08Å | 1.10Å | |
| C5' | O5' | sing | 1.36Å | 1.42Å | |
| C5' | C6' | doub | 1.39Å | 1.37Å | Aromatic |
| O5' | C51 | sing | 1.43Å | 1.44Å | |
| C51 | H511 | sing | 1.09Å | 1.11Å | |
| C51 | H512 | sing | 1.09Å | 1.11Å | |
| C51 | H513 | sing | 1.09Å | 1.12Å | |
| C6' | H6' | sing | 1.08Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | N1 | C8A | 115.3° | 120.6° |
| N1 | C2 | N2 | 119.9° | 118.6° |
| N1 | C2 | N3 | 126.5° | 122.8° |
| N1 | C8A | C4A | 123.2° | 118.5° |
| N1 | C8A | N8 | 114.3° | 121.7° |
| N2 | C2 | N3 | 113.6° | 118.5° |
| C2 | N2 | HN21 | 119.9° | 120.0° |
| C2 | N2 | HN22 | 108.5° | 119.9° |
| C2 | N3 | C4 | 120.4° | 121.3° |
| HN21 | N2 | HN22 | 108.4° | 120.0° |
| N3 | C4 | N4 | 117.6° | 120.9° |
| N3 | C4 | C4A | 120.3° | 118.3° |
| N4 | C4 | C4A | 122.1° | 120.8° |
| C4 | N4 | HN41 | 117.6° | 119.9° |
| C4 | N4 | HN42 | 109.4° | 120.1° |
| C4 | C4A | C5 | 127.0° | 122.1° |
| C4 | C4A | C8A | 114.3° | 118.5° |
| HN41 | N4 | HN42 | 109.2° | 120.0° |
| C5 | C4A | C8A | 118.8° | 119.3° |
| C4A | C5 | C5M | 121.6° | 121.0° |
| C4A | C5 | C6 | 118.1° | 118.0° |
| C4A | C8A | N8 | 122.4° | 119.8° |
| C5M | C5 | C6 | 120.3° | 121.0° |
| C5 | C5M | H5M1 | 121.7° | 109.4° |
| C5 | C5M | H5M2 | 107.9° | 109.5° |
| C5 | C5M | H5M3 | 107.9° | 109.5° |
| C5 | C6 | C7 | 119.4° | 119.8° |
| C5 | C6 | C9 | 119.9° | 120.0° |
| H5M1 | C5M | H5M2 | 107.9° | 109.5° |
| H5M1 | C5M | H5M3 | 107.9° | 109.5° |
| H5M2 | C5M | H5M3 | 101.9° | 109.4° |
| C7 | C6 | C9 | 120.6° | 120.1° |
| C6 | C7 | N8 | 124.2° | 121.8° |
| C6 | C7 | H7 | 120.8° | 119.1° |
| C6 | C9 | C1' | 113.7° | 109.5° |
| C6 | C9 | H91 | 110.7° | 109.4° |
| C6 | C9 | H92 | 110.6° | 109.5° |
| N8 | C7 | H7 | 115.0° | 119.1° |
| C7 | N8 | C8A | 117.1° | 121.2° |
| C1' | C9 | H91 | 110.7° | 109.4° |
| C1' | C9 | H92 | 110.7° | 109.5° |
| C9 | C1' | C2' | 120.3° | 120.0° |
| C9 | C1' | C6' | 118.2° | 120.0° |
| H91 | C9 | H92 | 99.6° | 109.4° |
| C2' | C1' | C6' | 121.5° | 120.0° |
| C1' | C2' | O2' | 113.1° | 120.0° |
| C1' | C2' | C3' | 118.4° | 120.0° |
| C1' | C6' | C5' | 119.0° | 120.0° |
| C1' | C6' | H6' | 120.2° | 120.0° |
| O2' | C2' | C3' | 128.4° | 120.0° |
| C2' | O2' | C21 | 121.0° | 106.8° |
| C2' | C3' | C4' | 120.8° | 120.0° |
| C2' | C3' | H3' | 119.3° | 120.0° |
| O2' | C21 | H211 | 121.0° | 109.5° |
| O2' | C21 | H212 | 108.1° | 109.4° |
| O2' | C21 | H213 | 108.1° | 109.5° |
| H211 | C21 | H212 | 108.0° | 109.5° |
| H211 | C21 | H213 | 108.1° | 109.5° |
| H212 | C21 | H213 | 101.8° | 109.4° |
| C4' | C3' | H3' | 119.9° | 120.0° |
| C3' | C4' | C5' | 118.3° | 120.0° |
| C3' | C4' | H4' | 121.6° | 120.1° |
| C5' | C4' | H4' | 120.1° | 120.0° |
| C4' | C5' | O5' | 127.9° | 120.0° |
| C4' | C5' | C6' | 121.9° | 120.0° |
| O5' | C5' | C6' | 110.2° | 120.0° |
| C5' | O5' | C51 | 105.8° | 106.8° |
| C5' | C6' | H6' | 120.8° | 120.0° |
| O5' | C51 | H511 | 105.8° | 109.5° |
| O5' | C51 | H512 | 113.6° | 109.5° |
| O5' | C51 | H513 | 113.6° | 109.4° |
| H511 | C51 | H512 | 113.6° | 109.5° |
| H511 | C51 | H513 | 113.6° | 109.5° |
| H512 | C51 | H513 | 96.9° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N1 | C2 | N2 | N3 | 179.3° | 179.9° |
| N1 | C2 | N2 | HN21 | 180.0° | 180.0° |
| N1 | C2 | N2 | HN22 | 54.8° | 0.0° |
| N1 | C2 | N3 | C4 | 0.9° | 0.1° |
| C2 | N1 | C8A | C4A | 1.2° | 0.0° |
| C2 | N1 | C8A | N8 | 176.8° | 179.9° |
| C8A | N1 | C2 | N2 | 179.1° | 180.0° |
| C8A | N1 | C2 | N3 | 1.7° | 0.1° |
| N1 | C8A | C4A | C4 | 0.0° | 0.1° |
| N1 | C8A | C4A | C5 | 179.6° | 179.8° |
| N1 | C8A | C4A | N8 | 177.8° | 179.9° |
| N1 | C8A | N8 | C7 | 178.5° | 180.0° |
| C2 | N2 | HN21 | HN22 | 125.2° | 180.0° |
| N2 | C2 | N3 | C4 | 179.9° | 180.0° |
| N3 | C2 | N2 | HN21 | 0.7° | 0.1° |
| N3 | C2 | N2 | HN22 | 124.5° | 180.0° |
| C2 | N3 | C4 | N4 | 179.8° | 180.0° |
| C2 | N3 | C4 | C4A | 0.5° | 0.0° |
| N3 | C4 | N4 | C4A | 179.3° | 180.0° |
| N3 | C4 | N4 | HN41 | 180.0° | 42.7° |
| N3 | C4 | N4 | HN42 | 54.7° | 137.3° |
| N3 | C4 | C4A | C5 | 178.6° | 179.7° |
| N3 | C4 | C4A | C8A | 0.9° | 0.0° |
| C4 | N4 | HN41 | HN42 | 125.3° | 179.9° |
| N4 | C4 | C4A | C5 | 0.7° | 0.3° |
| N4 | C4 | C4A | C8A | 179.8° | 180.0° |
| C4A | C4 | N4 | HN41 | 0.7° | 137.3° |
| C4A | C4 | N4 | HN42 | 125.9° | 42.8° |
| C4 | C4A | C5 | C8A | 179.5° | 179.7° |
| C4 | C4A | C5 | C5M | 1.1° | 0.0° |
| C4 | C4A | C5 | C6 | 179.7° | 179.8° |
| C4 | C4A | C8A | N8 | 177.8° | 180.0° |
| C4A | C5 | C5M | C6 | 179.1° | 179.8° |
| C4A | C5 | C5M | H5M1 | 180.0° | 83.0° |
| C4A | C5 | C5M | H5M2 | 54.7° | 37.0° |
| C4A | C5 | C5M | H5M3 | 54.7° | 156.9° |
| C4A | C5 | C6 | C7 | 1.5° | 0.5° |
| C4A | C5 | C6 | C9 | 177.1° | 179.8° |
| C5 | C4A | C8A | N8 | 1.8° | 0.3° |
| C8A | C4A | C5 | C5M | 178.3° | 179.7° |
| C8A | C4A | C5 | C6 | 0.8° | 0.5° |
| C4A | C8A | N8 | C7 | 3.5° | 0.1° |
| C5 | C5M | H5M1 | H5M2 | 125.3° | 120.0° |
| C5 | C5M | H5M1 | H5M3 | 125.3° | 120.0° |
| C5 | C5M | H5M2 | H5M3 | 113.4° | 120.0° |
| C5M | C5 | C6 | C7 | 177.6° | 179.8° |
| C5M | C5 | C6 | C9 | 2.1° | 0.0° |
| C6 | C5 | C5M | H5M1 | 0.9° | 96.7° |
| C6 | C5 | C5M | H5M2 | 124.5° | 143.3° |
| C6 | C5 | C5M | H5M3 | 126.2° | 23.3° |
| C5 | C6 | C7 | C9 | 175.5° | 179.8° |
| C5 | C6 | C7 | N8 | 0.3° | 0.3° |
| C5 | C6 | C7 | H7 | 179.7° | 179.8° |
| C5 | C6 | C9 | C1' | 145.1° | 84.5° |
| C5 | C6 | C9 | H91 | 89.6° | 155.6° |
| C5 | C6 | C9 | H92 | 19.8° | 35.6° |
| H5M1 | C5M | H5M2 | H5M3 | 113.4° | 120.1° |
| C6 | C7 | N8 | H7 | 180.0° | 180.0° |
| C6 | C7 | N8 | C8A | 2.8° | 0.1° |
| C7 | C6 | C9 | C1' | 39.4° | 95.8° |
| C7 | C6 | C9 | H91 | 85.9° | 24.2° |
| C7 | C6 | C9 | H92 | 164.6° | 144.1° |
| C9 | C6 | C7 | N8 | 175.3° | 180.0° |
| C9 | C6 | C7 | H7 | 4.7° | 0.0° |
| C6 | C9 | C1' | H91 | 125.3° | 120.0° |
| C6 | C9 | C1' | H92 | 125.2° | 120.1° |
| C6 | C9 | H91 | H92 | 116.5° | 120.0° |
| C6 | C9 | C1' | C2' | 89.5° | 84.8° |
| C6 | C9 | C1' | C6' | 91.3° | 95.5° |
| H7 | C7 | N8 | C8A | 177.2° | 180.0° |
| C1' | C9 | H91 | H92 | 116.6° | 120.0° |
| C9 | C1' | C2' | C6' | 179.2° | 179.7° |
| C9 | C1' | C2' | O2' | 1.7° | 0.1° |
| C9 | C1' | C2' | C3' | 178.4° | 180.0° |
| C9 | C1' | C6' | C5' | 178.8° | 179.8° |
| C9 | C1' | C6' | H6' | 1.3° | 0.3° |
| H91 | C9 | C1' | C2' | 145.3° | 35.2° |
| H91 | C9 | C1' | C6' | 34.0° | 144.5° |
| H92 | C9 | C1' | C2' | 35.8° | 155.1° |
| H92 | C9 | C1' | C6' | 143.5° | 24.6° |
| C1' | C2' | O2' | C3' | 179.9° | 180.0° |
| C1' | C2' | O2' | C21 | 153.2° | 180.0° |
| C1' | C2' | C3' | C4' | 1.0° | 0.0° |
| C1' | C2' | C3' | H3' | 179.0° | 180.0° |
| C2' | C1' | C6' | C5' | 2.0° | 0.5° |
| C2' | C1' | C6' | H6' | 178.0° | 180.0° |
| C6' | C1' | C2' | O2' | 177.5° | 179.8° |
| C6' | C1' | C2' | C3' | 2.4° | 0.3° |
| C1' | C6' | C5' | C4' | 0.2° | 0.5° |
| C1' | C6' | C5' | O5' | 178.6° | 179.7° |
| C1' | C6' | C5' | H6' | 180.0° | 179.5° |
| C2' | O2' | C21 | H211 | 180.0° | 180.0° |
| C2' | O2' | C21 | H212 | 54.8° | 60.0° |
| C2' | O2' | C21 | H213 | 54.7° | 59.9° |
| O2' | C2' | C3' | C4' | 178.9° | 180.0° |
| O2' | C2' | C3' | H3' | 1.1° | 0.0° |
| C3' | C2' | O2' | C21 | 26.9° | 0.1° |
| C2' | C3' | C4' | H3' | 180.0° | 180.0° |
| C2' | C3' | C4' | C5' | 0.7° | 0.0° |
| C2' | C3' | C4' | H4' | 179.2° | 180.0° |
| O2' | C21 | H211 | H212 | 125.2° | 120.0° |
| O2' | C21 | H211 | H213 | 125.3° | 120.1° |
| O2' | C21 | H212 | H213 | 113.7° | 120.0° |
| H211 | C21 | H212 | H213 | 113.7° | 120.0° |
| C3' | C4' | C5' | H4' | 179.9° | 179.9° |
| C3' | C4' | C5' | O5' | 179.7° | 180.0° |
| C3' | C4' | C5' | C6' | 1.2° | 0.3° |
| H3' | C3' | C4' | C5' | 179.3° | 180.0° |
| H3' | C3' | C4' | H4' | 0.8° | 0.1° |
| C4' | C5' | O5' | C6' | 178.7° | 179.8° |
| C4' | C5' | O5' | C51 | 11.1° | 0.0° |
| C4' | C5' | C6' | H6' | 179.8° | 180.0° |
| H4' | C4' | C5' | O5' | 0.2° | 0.0° |
| H4' | C4' | C5' | C6' | 178.8° | 179.8° |
| C5' | O5' | C51 | H511 | 180.0° | 180.0° |
| C5' | O5' | C51 | H512 | 54.7° | 60.0° |
| C5' | O5' | C51 | H513 | 54.7° | 60.0° |
| O5' | C5' | C6' | H6' | 1.4° | 0.2° |
| C6' | C5' | O5' | C51 | 167.6° | 179.8° |
| O5' | C51 | H511 | H512 | 125.2° | 120.0° |
| O5' | C51 | H511 | H513 | 125.3° | 120.0° |
| O5' | C51 | H512 | H513 | 119.5° | 120.0° |
| H511 | C51 | H512 | H513 | 119.6° | 120.0° |
