ZYV
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C5 | N7 | sing | 1.38Å | 1.32Å | Aromatic |
| C5 | C4 | doub | 1.40Å | 1.38Å | Aromatic |
| C5 | C6 | sing | 1.40Å | 1.38Å | Aromatic |
| N7 | C8 | sing | 1.35Å | 1.33Å | Aromatic |
| C8 | N9 | doub | 1.30Å | 1.33Å | Aromatic |
| N9 | C4 | sing | 1.35Å | 1.32Å | Aromatic |
| C4 | N3 | sing | 1.34Å | 1.34Å | Aromatic |
| N3 | C2 | doub | 1.31Å | 1.32Å | Aromatic |
| C2 | N1 | sing | 1.32Å | 1.32Å | Aromatic |
| N1 | C6 | doub | 1.33Å | 1.34Å | Aromatic |
| C6 | N6 | sing | 1.39Å | 1.40Å | |
| N6 | CAG | sing | 1.47Å | 1.47Å | |
| N6 | CAF | sing | 1.47Å | 1.46Å | |
| CAG | CAP | sing | 1.53Å | 1.53Å | |
| CAF | CAE | sing | 1.53Å | 1.52Å | |
| CAE | OAL | sing | 1.43Å | 1.43Å | |
| OAL | CAP | sing | 1.43Å | 1.44Å | |
| CAP | CAD | sing | 1.53Å | 1.52Å | |
| CAD | NAA | sing | 1.47Å | 1.47Å | |
| N7 | H7 | sing | 0.97Å | 1.00Å | |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| CAG | HAG1 | sing | 1.09Å | 1.10Å | |
| CAG | HAG2 | sing | 1.09Å | 1.10Å | |
| CAF | HAF1 | sing | 1.09Å | 1.10Å | |
| CAF | HAF2 | sing | 1.09Å | 1.10Å | |
| CAP | HAP | sing | 1.09Å | 1.10Å | |
| CAE | HAE1 | sing | 1.09Å | 1.10Å | |
| CAE | HAE2 | sing | 1.09Å | 1.10Å | |
| CAD | HAD1 | sing | 1.09Å | 1.10Å | |
| CAD | HAD2 | sing | 1.09Å | 1.10Å | |
| NAA | HAA1 | sing | 1.01Å | 1.00Å | |
| NAA | HAA2 | sing | 1.01Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N7 | C5 | C4 | 107.4° | 106.1° |
| N7 | C5 | C6 | 133.9° | 135.3° |
| C5 | N7 | C8 | 107.9° | 107.2° |
| C5 | N7 | H7 | 126.1° | 126.4° |
| C4 | C5 | C6 | 118.7° | 118.6° |
| C5 | C4 | N9 | 107.4° | 106.9° |
| C5 | C4 | N3 | 119.5° | 118.6° |
| C5 | C6 | N1 | 118.6° | 118.5° |
| C5 | C6 | N6 | 121.5° | 120.7° |
| N7 | C8 | N9 | 109.5° | 110.1° |
| C8 | N7 | H7 | 126.1° | 126.4° |
| N7 | C8 | H8 | 125.3° | 124.9° |
| C8 | N9 | C4 | 107.8° | 109.8° |
| N9 | C8 | H8 | 125.2° | 125.0° |
| N9 | C4 | N3 | 133.1° | 134.5° |
| C4 | N3 | C2 | 120.4° | 120.6° |
| N3 | C2 | N1 | 121.5° | 122.5° |
| N3 | C2 | H2 | 119.3° | 118.7° |
| C2 | N1 | C6 | 121.2° | 121.1° |
| N1 | C2 | H2 | 119.2° | 118.8° |
| N1 | C6 | N6 | 119.9° | 120.8° |
| C6 | N6 | CAG | 123.0° | 111.0° |
| C6 | N6 | CAF | 121.5° | 111.0° |
| CAG | N6 | CAF | 114.8° | 110.7° |
| N6 | CAG | CAP | 109.1° | 109.2° |
| N6 | CAG | HAG1 | 109.6° | 109.5° |
| N6 | CAG | HAG2 | 109.7° | 109.5° |
| N6 | CAF | CAE | 110.5° | 109.2° |
| N6 | CAF | HAF1 | 109.1° | 109.6° |
| N6 | CAF | HAF2 | 108.9° | 109.5° |
| CAG | CAP | OAL | 117.0° | 109.2° |
| CAG | CAP | CAD | 110.5° | 109.6° |
| CAP | CAG | HAG1 | 109.6° | 109.5° |
| CAP | CAG | HAG2 | 109.7° | 109.5° |
| CAG | CAP | HAP | 100.4° | 109.5° |
| CAF | CAE | OAL | 111.4° | 109.2° |
| CAE | CAF | HAF1 | 109.1° | 109.5° |
| CAE | CAF | HAF2 | 108.9° | 109.5° |
| CAF | CAE | HAE1 | 108.8° | 109.5° |
| CAF | CAE | HAE2 | 108.4° | 109.5° |
| CAE | OAL | CAP | 107.1° | 113.7° |
| OAL | CAE | HAE1 | 108.8° | 109.5° |
| OAL | CAE | HAE2 | 108.4° | 109.5° |
| OAL | CAP | CAD | 96.5° | 109.5° |
| OAL | CAP | HAP | 113.6° | 109.5° |
| CAP | CAD | NAA | 108.9° | 109.5° |
| CAD | CAP | HAP | 119.8° | 109.6° |
| CAP | CAD | HAD1 | 109.7° | 109.4° |
| CAP | CAD | HAD2 | 109.8° | 109.4° |
| NAA | CAD | HAD1 | 109.6° | 109.5° |
| NAA | CAD | HAD2 | 109.8° | 109.5° |
| CAD | NAA | HAA1 | 109.5° | 111.0° |
| CAD | NAA | HAA2 | 109.5° | 110.9° |
| HAG1 | CAG | HAG2 | 109.2° | 109.6° |
| HAF1 | CAF | HAF2 | 110.2° | 109.5° |
| HAE1 | CAE | HAE2 | 111.0° | 109.6° |
| HAD1 | CAD | HAD2 | 109.1° | 109.5° |
| HAA1 | NAA | HAA2 | 109.5° | 111.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N7 | C5 | C4 | C6 | 179.8° | 179.7° |
| C5 | N7 | C8 | H7 | 180.0° | 180.0° |
| C5 | N7 | C8 | N9 | 0.1° | 0.0° |
| N7 | C5 | C4 | N9 | 0.2° | 0.0° |
| N7 | C5 | C4 | N3 | 179.9° | 179.9° |
| N7 | C5 | C6 | N1 | 179.8° | 179.9° |
| N7 | C5 | C6 | N6 | 0.7° | 0.1° |
| C5 | N7 | C8 | H8 | 180.0° | 180.0° |
| C4 | C5 | N7 | C8 | 0.2° | 0.0° |
| C5 | C4 | N9 | C8 | 0.2° | 0.0° |
| C5 | C4 | N9 | N3 | 179.8° | 179.9° |
| C5 | C4 | N3 | C2 | 0.2° | 0.0° |
| C4 | C5 | C6 | N1 | 0.5° | 0.4° |
| C4 | C5 | C6 | N6 | 179.6° | 179.7° |
| C4 | C5 | N7 | H7 | 179.9° | 180.0° |
| C6 | C5 | N7 | C8 | 179.6° | 179.7° |
| C6 | C5 | C4 | N9 | 179.6° | 179.7° |
| C6 | C5 | C4 | N3 | 0.3° | 0.2° |
| C5 | C6 | N1 | C2 | 0.5° | 0.4° |
| C5 | C6 | N1 | N6 | 179.1° | 179.9° |
| C5 | C6 | N6 | CAG | 10.1° | 180.0° |
| C5 | C6 | N6 | CAF | 180.0° | 56.4° |
| C6 | C5 | N7 | H7 | 0.4° | 0.4° |
| N7 | C8 | N9 | H8 | 180.0° | 180.0° |
| N7 | C8 | N9 | C4 | 0.1° | 0.0° |
| C8 | N9 | C4 | N3 | 180.0° | 179.9° |
| N9 | C8 | N7 | H7 | 180.0° | 179.9° |
| N9 | C4 | N3 | C2 | 179.7° | 180.0° |
| C4 | N9 | C8 | H8 | 179.9° | 180.0° |
| C4 | N3 | C2 | N1 | 0.2° | 0.1° |
| C4 | N3 | C2 | H2 | 179.8° | 179.9° |
| N3 | C2 | N1 | H2 | 180.0° | 180.0° |
| N3 | C2 | N1 | C6 | 0.4° | 0.2° |
| C2 | N1 | C6 | N6 | 179.7° | 179.7° |
| N1 | C6 | N6 | CAG | 169.0° | 0.1° |
| N1 | C6 | N6 | CAF | 0.8° | 123.5° |
| C6 | N1 | C2 | H2 | 179.6° | 179.8° |
| C6 | N6 | CAG | CAF | 170.5° | 123.8° |
| C6 | N6 | CAG | CAP | 145.0° | 177.6° |
| C6 | N6 | CAF | CAE | 138.2° | 177.6° |
| C6 | N6 | CAG | HAG1 | 25.0° | 57.7° |
| C6 | N6 | CAG | HAG2 | 94.8° | 62.5° |
| C6 | N6 | CAF | HAF1 | 101.8° | 62.4° |
| C6 | N6 | CAF | HAF2 | 18.6° | 57.7° |
| N6 | CAG | CAP | HAG1 | 120.0° | 119.9° |
| N6 | CAG | CAP | HAG2 | 120.2° | 120.0° |
| CAG | N6 | CAF | CAE | 51.2° | 58.7° |
| N6 | CAG | CAP | OAL | 48.9° | 56.9° |
| N6 | CAG | CAP | CAD | 60.2° | 63.1° |
| N6 | CAG | HAG1 | HAG2 | 120.2° | 120.2° |
| CAG | N6 | CAF | HAF1 | 68.9° | 61.3° |
| CAG | N6 | CAF | HAF2 | 170.7° | 178.5° |
| N6 | CAG | CAP | HAP | 172.3° | 176.7° |
| CAF | N6 | CAG | CAP | 44.5° | 58.7° |
| N6 | CAF | CAE | HAF1 | 120.0° | 120.0° |
| N6 | CAF | CAE | HAF2 | 119.6° | 119.9° |
| N6 | CAF | CAE | OAL | 59.6° | 56.9° |
| CAF | N6 | CAG | HAG1 | 164.5° | 178.5° |
| CAF | N6 | CAG | HAG2 | 75.7° | 61.3° |
| N6 | CAF | HAF1 | HAF2 | 119.6° | 120.1° |
| N6 | CAF | CAE | HAE1 | 179.6° | 176.8° |
| N6 | CAF | CAE | HAE2 | 59.5° | 63.0° |
| CAG | CAP | OAL | CAE | 57.4° | 58.7° |
| CAG | CAP | OAL | CAD | 117.0° | 120.0° |
| CAG | CAP | OAL | HAP | 116.4° | 119.9° |
| CAG | CAP | CAD | HAP | 115.9° | 120.2° |
| CAG | CAP | CAD | NAA | 179.6° | 180.0° |
| CAP | CAG | HAG1 | HAG2 | 120.2° | 120.1° |
| CAG | CAP | CAD | HAD1 | 59.7° | 60.0° |
| CAG | CAP | CAD | HAD2 | 60.2° | 60.0° |
| CAF | CAE | OAL | HAE1 | 120.0° | 119.9° |
| CAF | CAE | OAL | HAE2 | 119.2° | 119.9° |
| CAF | CAE | OAL | CAP | 60.8° | 58.7° |
| CAE | CAF | HAF1 | HAF2 | 119.6° | 120.1° |
| CAF | CAE | HAE1 | HAE2 | 119.2° | 120.1° |
| CAE | OAL | CAP | CAD | 59.7° | 61.3° |
| OAL | CAE | CAF | HAF1 | 60.4° | 63.1° |
| OAL | CAE | CAF | HAF2 | 179.2° | 176.8° |
| CAE | OAL | CAP | HAP | 173.7° | 178.6° |
| OAL | CAE | HAE1 | HAE2 | 119.2° | 120.2° |
| OAL | CAP | CAD | HAP | 122.0° | 120.1° |
| OAL | CAP | CAD | NAA | 57.6° | 60.2° |
| OAL | CAP | CAG | HAG1 | 168.9° | 176.8° |
| OAL | CAP | CAG | HAG2 | 71.3° | 63.1° |
| CAP | OAL | CAE | HAE1 | 179.2° | 178.6° |
| CAP | OAL | CAE | HAE2 | 58.4° | 61.2° |
| OAL | CAP | CAD | HAD1 | 62.4° | 59.8° |
| OAL | CAP | CAD | HAD2 | 177.8° | 179.8° |
| CAP | CAD | NAA | HAD1 | 120.0° | 120.0° |
| CAP | CAD | NAA | HAD2 | 120.2° | 120.0° |
| CAD | CAP | CAG | HAG1 | 59.8° | 56.8° |
| CAD | CAP | CAG | HAG2 | 179.6° | 177.0° |
| CAP | CAD | HAD1 | HAD2 | 120.3° | 119.9° |
| CAP | CAD | NAA | HAA1 | 12.1° | 56.0° |
| CAP | CAD | NAA | HAA2 | 132.1° | 180.0° |
| NAA | CAD | CAP | HAP | 64.4° | 59.9° |
| NAA | CAD | HAD1 | HAD2 | 120.2° | 120.1° |
| CAD | NAA | HAA1 | HAA2 | 120.0° | 123.9° |
| H7 | N7 | C8 | H8 | 0.0° | 0.0° |
| HAG1 | CAG | CAP | HAP | 67.7° | 63.4° |
| HAG2 | CAG | CAP | HAP | 52.1° | 56.8° |
| HAF1 | CAF | CAE | HAE1 | 59.6° | 56.8° |
| HAF1 | CAF | CAE | HAE2 | 179.6° | 176.9° |
| HAF2 | CAF | CAE | HAE1 | 60.8° | 63.3° |
| HAF2 | CAF | CAE | HAE2 | 60.0° | 56.8° |
| HAP | CAP | CAD | HAD1 | 175.6° | 179.9° |
| HAP | CAP | CAD | HAD2 | 55.8° | 60.2° |
| HAD1 | CAD | NAA | HAA1 | 107.9° | 63.9° |
| HAD1 | CAD | NAA | HAA2 | 12.1° | 60.0° |
| HAD2 | CAD | NAA | HAA1 | 132.3° | 176.0° |
| HAD2 | CAD | NAA | HAA2 | 107.7° | 60.0° |
