M4T
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N04 | C05 | sing | 1.40Å | 1.46Å | |
| N04 | C02 | sing | 1.35Å | 1.45Å | |
| C10 | C05 | doub | 1.39Å | 1.39Å | Aromatic |
| C10 | N09 | sing | 1.32Å | 1.32Å | Aromatic |
| C05 | C06 | sing | 1.39Å | 1.39Å | Aromatic |
| N09 | C08 | doub | 1.32Å | 1.32Å | Aromatic |
| C06 | C07 | doub | 1.39Å | 1.39Å | Aromatic |
| C08 | C07 | sing | 1.38Å | 1.39Å | Aromatic |
| C01 | C02 | sing | 1.51Å | 1.53Å | |
| C02 | O03 | doub | 1.21Å | 1.19Å | |
| C10 | H1 | sing | 1.08Å | 1.08Å | |
| C01 | H2 | sing | 1.09Å | 1.10Å | |
| C01 | H3 | sing | 1.09Å | 1.10Å | |
| C01 | H4 | sing | 1.09Å | 1.10Å | |
| C06 | H5 | sing | 1.08Å | 1.08Å | |
| C07 | H6 | sing | 1.08Å | 1.08Å | |
| C08 | H7 | sing | 1.08Å | 1.08Å | |
| N04 | H8 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C05 | N04 | C02 | 122.8° | 120.0° |
| N04 | C05 | C10 | 119.3° | 120.5° |
| N04 | C05 | C06 | 121.5° | 120.5° |
| C05 | N04 | H8 | 118.6° | 119.9° |
| N04 | C02 | C01 | 118.4° | 120.0° |
| N04 | C02 | O03 | 120.8° | 120.0° |
| C02 | N04 | H8 | 118.5° | 120.0° |
| C05 | C10 | N09 | 120.6° | 120.7° |
| C10 | C05 | C06 | 119.2° | 119.0° |
| C05 | C10 | H1 | 119.7° | 119.7° |
| C10 | N09 | C08 | 121.9° | 121.8° |
| N09 | C10 | H1 | 119.7° | 119.6° |
| C05 | C06 | C07 | 118.7° | 118.4° |
| C05 | C06 | H5 | 120.7° | 120.8° |
| N09 | C08 | C07 | 120.9° | 121.0° |
| N09 | C08 | H7 | 119.6° | 119.5° |
| C06 | C07 | C08 | 118.7° | 119.2° |
| C07 | C06 | H5 | 120.6° | 120.8° |
| C06 | C07 | H6 | 120.6° | 120.4° |
| C08 | C07 | H6 | 120.7° | 120.4° |
| C07 | C08 | H7 | 119.6° | 119.5° |
| C01 | C02 | O03 | 120.8° | 120.0° |
| C02 | C01 | H2 | 109.5° | 109.5° |
| C02 | C01 | H3 | 109.4° | 109.5° |
| C02 | C01 | H4 | 109.4° | 109.5° |
| H2 | C01 | H3 | 109.5° | 109.5° |
| H2 | C01 | H4 | 109.5° | 109.5° |
| H3 | C01 | H4 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C05 | N04 | C02 | H8 | 180.0° | 179.9° |
| N04 | C05 | C10 | C06 | 179.4° | 180.0° |
| N04 | C05 | C10 | N09 | 179.9° | 180.0° |
| N04 | C05 | C06 | C07 | 179.6° | 180.0° |
| C05 | N04 | C02 | C01 | 180.0° | 174.7° |
| C05 | N04 | C02 | O03 | 0.1° | 5.3° |
| N04 | C05 | C10 | H1 | 0.1° | 0.3° |
| N04 | C05 | C06 | H5 | 0.4° | 0.1° |
| C02 | N04 | C05 | C10 | 132.9° | 147.3° |
| C02 | N04 | C05 | C06 | 47.8° | 32.7° |
| N04 | C02 | C01 | O03 | 179.9° | 180.0° |
| N04 | C02 | C01 | H2 | 179.9° | 90.0° |
| N04 | C02 | C01 | H3 | 60.1° | 30.0° |
| N04 | C02 | C01 | H4 | 59.9° | 150.0° |
| C05 | C10 | N09 | H1 | 180.0° | 179.7° |
| C05 | C10 | N09 | C08 | 0.4° | 0.1° |
| C10 | C05 | C06 | C07 | 0.3° | 0.0° |
| C10 | C05 | C06 | H5 | 179.7° | 179.9° |
| C10 | C05 | N04 | H8 | 47.1° | 32.7° |
| N09 | C10 | C05 | C06 | 0.5° | 0.0° |
| C10 | N09 | C08 | C07 | 0.0° | 0.1° |
| C10 | N09 | C08 | H7 | 180.0° | 180.0° |
| C05 | C06 | C07 | H5 | 180.0° | 179.9° |
| C05 | C06 | C07 | C08 | 0.1° | 0.0° |
| C06 | C05 | C10 | H1 | 179.5° | 179.7° |
| C05 | C06 | C07 | H6 | 179.9° | 180.0° |
| C06 | C05 | N04 | H8 | 132.3° | 147.3° |
| N09 | C08 | C07 | C06 | 0.2° | 0.0° |
| N09 | C08 | C07 | H7 | 180.0° | 180.0° |
| C08 | N09 | C10 | H1 | 179.6° | 179.8° |
| N09 | C08 | C07 | H6 | 179.8° | 180.0° |
| C06 | C07 | C08 | H6 | 180.0° | 180.0° |
| C06 | C07 | C08 | H7 | 179.8° | 179.9° |
| C08 | C07 | C06 | H5 | 179.9° | 179.9° |
| C02 | C01 | H2 | H3 | 120.0° | 120.0° |
| C02 | C01 | H2 | H4 | 120.0° | 120.0° |
| C02 | C01 | H3 | H4 | 120.0° | 120.0° |
| C01 | C02 | N04 | H8 | 0.0° | 5.2° |
| O03 | C02 | C01 | H2 | 0.0° | 90.0° |
| O03 | C02 | C01 | H3 | 120.0° | 150.0° |
| O03 | C02 | C01 | H4 | 120.0° | 30.0° |
| O03 | C02 | N04 | H8 | 179.9° | 174.8° |
| H2 | C01 | H3 | H4 | 120.0° | 120.0° |
| H5 | C06 | C07 | H6 | 0.1° | 0.1° |
| H6 | C07 | C08 | H7 | 0.3° | 0.0° |
