M2H
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C05 | C04 | sing | 1.51Å | 1.50Å | |
| N09 | C08 | trip | 1.14Å | 1.14Å | |
| C08 | C06 | sing | 1.43Å | 1.42Å | |
| C04 | C06 | doub | 1.38Å | 1.42Å | Aromatic |
| C04 | C03 | sing | 1.40Å | 1.39Å | Aromatic |
| C06 | N07 | sing | 1.38Å | 1.37Å | Aromatic |
| C03 | C02 | doub | 1.35Å | 1.37Å | Aromatic |
| N07 | C02 | sing | 1.36Å | 1.37Å | Aromatic |
| C02 | C01 | sing | 1.51Å | 1.50Å | |
| C01 | H1 | sing | 1.09Å | 1.10Å | |
| C01 | H2 | sing | 1.09Å | 1.10Å | |
| C01 | H3 | sing | 1.09Å | 1.10Å | |
| C03 | H4 | sing | 1.08Å | 1.08Å | |
| C05 | H5 | sing | 1.09Å | 1.10Å | |
| C05 | H6 | sing | 1.09Å | 1.10Å | |
| C05 | H7 | sing | 1.09Å | 1.10Å | |
| N07 | H8 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C05 | C04 | C06 | 128.6° | 126.4° |
| C05 | C04 | C03 | 126.3° | 126.5° |
| C04 | C05 | H5 | 109.5° | 109.5° |
| C04 | C05 | H6 | 109.5° | 109.5° |
| C04 | C05 | H7 | 109.4° | 109.5° |
| N09 | C08 | C06 | 176.9° | 179.9° |
| C08 | C06 | C04 | 129.0° | 126.3° |
| C08 | C06 | N07 | 123.0° | 126.2° |
| C06 | C04 | C03 | 105.1° | 107.1° |
| C04 | C06 | N07 | 107.9° | 107.6° |
| C04 | C03 | C02 | 110.5° | 107.9° |
| C04 | C03 | H4 | 124.8° | 126.1° |
| C06 | N07 | C02 | 109.4° | 108.6° |
| C06 | N07 | H8 | 125.3° | 125.7° |
| C03 | C02 | N07 | 107.1° | 108.8° |
| C03 | C02 | C01 | 131.7° | 125.6° |
| C02 | C03 | H4 | 124.7° | 126.0° |
| N07 | C02 | C01 | 121.2° | 125.6° |
| C02 | N07 | H8 | 125.3° | 125.7° |
| C02 | C01 | H1 | 109.5° | 109.5° |
| C02 | C01 | H2 | 109.4° | 109.5° |
| C02 | C01 | H3 | 109.5° | 109.5° |
| H1 | C01 | H2 | 109.5° | 109.5° |
| H1 | C01 | H3 | 109.4° | 109.4° |
| H2 | C01 | H3 | 109.5° | 109.5° |
| H5 | C05 | H6 | 109.5° | 109.5° |
| H5 | C05 | H7 | 109.5° | 109.5° |
| H6 | C05 | H7 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C05 | C04 | C06 | C08 | 2.4° | 0.2° |
| C05 | C04 | C06 | C03 | 178.8° | 179.7° |
| C05 | C04 | C06 | N07 | 179.3° | 180.0° |
| C05 | C04 | C03 | C02 | 179.4° | 179.8° |
| C05 | C04 | C03 | H4 | 0.6° | 0.2° |
| C04 | C05 | H5 | H6 | 120.0° | 120.1° |
| C04 | C05 | H5 | H7 | 120.0° | 120.0° |
| C04 | C05 | H6 | H7 | 120.0° | 120.0° |
| N09 | C08 | C06 | C04 | 109.4° | 40.0° |
| N09 | C08 | C06 | N07 | 68.6° | 139.7° |
| C08 | C06 | C04 | N07 | 178.2° | 179.8° |
| C08 | C06 | C04 | C03 | 178.8° | 179.9° |
| C08 | C06 | N07 | C02 | 178.7° | 179.8° |
| C08 | C06 | N07 | H8 | 1.3° | 0.2° |
| C06 | C04 | C03 | C02 | 0.6° | 0.0° |
| C04 | C06 | N07 | C02 | 0.3° | 0.4° |
| C06 | C04 | C03 | H4 | 179.4° | 179.9° |
| C06 | C04 | C05 | H5 | 90.8° | 90.0° |
| C06 | C04 | C05 | H6 | 149.2° | 150.0° |
| C06 | C04 | C05 | H7 | 29.2° | 30.0° |
| C04 | C06 | N07 | H8 | 179.6° | 180.0° |
| C03 | C04 | C06 | N07 | 0.6° | 0.3° |
| C04 | C03 | C02 | H4 | 180.0° | 180.0° |
| C04 | C03 | C02 | N07 | 0.4° | 0.2° |
| C04 | C03 | C02 | C01 | 179.4° | 180.0° |
| C03 | C04 | C05 | H5 | 90.7° | 89.7° |
| C03 | C04 | C05 | H6 | 29.3° | 30.3° |
| C03 | C04 | C05 | H7 | 149.3° | 150.3° |
| C06 | N07 | C02 | C03 | 0.0° | 0.4° |
| C06 | N07 | C02 | H8 | 180.0° | 179.6° |
| C06 | N07 | C02 | C01 | 179.8° | 179.9° |
| C03 | C02 | N07 | C01 | 179.8° | 179.7° |
| C03 | C02 | C01 | H1 | 89.9° | 90.0° |
| C03 | C02 | C01 | H2 | 150.1° | 150.0° |
| C03 | C02 | C01 | H3 | 30.1° | 30.0° |
| C03 | C02 | N07 | H8 | 180.0° | 180.0° |
| N07 | C02 | C01 | H1 | 89.9° | 90.3° |
| N07 | C02 | C01 | H2 | 30.1° | 29.7° |
| N07 | C02 | C01 | H3 | 150.1° | 149.7° |
| N07 | C02 | C03 | H4 | 179.6° | 179.8° |
| C02 | C01 | H1 | H2 | 120.0° | 120.0° |
| C02 | C01 | H1 | H3 | 120.0° | 120.0° |
| C02 | C01 | H2 | H3 | 120.0° | 120.0° |
| C01 | C02 | C03 | H4 | 0.6° | 0.1° |
| C01 | C02 | N07 | H8 | 0.2° | 0.3° |
| H1 | C01 | H2 | H3 | 120.0° | 120.0° |
| H5 | C05 | H6 | H7 | 120.0° | 120.0° |
