7WA
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N01 | C02 | sing | 1.40Å | 1.38Å | |
| C03 | C02 | doub | 1.38Å | 1.39Å | Aromatic |
| C03 | C04 | sing | 1.39Å | 1.41Å | Aromatic |
| C02 | C10 | sing | 1.40Å | 1.42Å | Aromatic |
| C04 | C05 | doub | 1.38Å | 1.37Å | Aromatic |
| C05 | C06 | sing | 1.39Å | 1.40Å | Aromatic |
| C10 | C06 | doub | 1.40Å | 1.42Å | Aromatic |
| C10 | N09 | sing | 1.36Å | 1.41Å | Aromatic |
| C06 | N07 | sing | 1.38Å | 1.40Å | Aromatic |
| N09 | C08 | doub | 1.30Å | 1.34Å | Aromatic |
| N07 | C08 | sing | 1.36Å | 1.38Å | Aromatic |
| N01 | H1 | sing | 0.97Å | 1.00Å | |
| N01 | H2 | sing | 0.97Å | 1.00Å | |
| C03 | H3 | sing | 1.08Å | 1.08Å | |
| C04 | H4 | sing | 1.08Å | 1.08Å | |
| C05 | H5 | sing | 1.08Å | 1.08Å | |
| N07 | H6 | sing | 0.97Å | 1.00Å | |
| C08 | H7 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N01 | C02 | C03 | 121.4° | 120.2° |
| N01 | C02 | C10 | 122.2° | 120.2° |
| C02 | N01 | H1 | 109.5° | 120.0° |
| C02 | N01 | H2 | 109.4° | 120.0° |
| C02 | C03 | C04 | 122.6° | 120.5° |
| C03 | C02 | C10 | 116.4° | 119.7° |
| C02 | C03 | H3 | 118.7° | 119.8° |
| C03 | C04 | C05 | 122.3° | 120.5° |
| C04 | C03 | H3 | 118.7° | 119.7° |
| C03 | C04 | H4 | 118.8° | 119.8° |
| C02 | C10 | C06 | 118.8° | 119.4° |
| C02 | C10 | N09 | 131.9° | 133.6° |
| C04 | C05 | C06 | 115.7° | 120.0° |
| C05 | C04 | H4 | 118.9° | 119.7° |
| C04 | C05 | H5 | 122.2° | 120.0° |
| C05 | C06 | C10 | 124.2° | 120.0° |
| C05 | C06 | N07 | 129.8° | 134.0° |
| C06 | C05 | H5 | 122.2° | 120.0° |
| C06 | C10 | N09 | 109.3° | 107.0° |
| C10 | C06 | N07 | 105.9° | 106.0° |
| C10 | N09 | C08 | 105.2° | 109.7° |
| C06 | N07 | C08 | 106.6° | 107.3° |
| C06 | N07 | H6 | 126.7° | 126.3° |
| N09 | C08 | N07 | 113.0° | 110.0° |
| N09 | C08 | H7 | 123.5° | 125.0° |
| C08 | N07 | H6 | 126.7° | 126.4° |
| N07 | C08 | H7 | 123.5° | 125.0° |
| H1 | N01 | H2 | 109.5° | 120.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N01 | C02 | C03 | C10 | 179.0° | 179.9° |
| N01 | C02 | C03 | C04 | 180.0° | 180.0° |
| N01 | C02 | C10 | C06 | 179.2° | 180.0° |
| N01 | C02 | C10 | N09 | 2.8° | 0.4° |
| C02 | N01 | H1 | H2 | 120.0° | 179.9° |
| N01 | C02 | C03 | H3 | 0.0° | 0.1° |
| C02 | C03 | C04 | H3 | 180.0° | 179.9° |
| C02 | C03 | C04 | C05 | 0.1° | 0.0° |
| C03 | C02 | C10 | C06 | 1.8° | 0.1° |
| C03 | C02 | C10 | N09 | 178.2° | 179.7° |
| C03 | C02 | N01 | H1 | 180.0° | 179.9° |
| C03 | C02 | N01 | H2 | 60.0° | 0.0° |
| C02 | C03 | C04 | H4 | 179.9° | 179.9° |
| C04 | C03 | C02 | C10 | 1.0° | 0.1° |
| C03 | C04 | C05 | H4 | 180.0° | 179.9° |
| C03 | C04 | C05 | C06 | 0.3° | 0.1° |
| C03 | C04 | C05 | H5 | 179.7° | 180.0° |
| C02 | C10 | C06 | C05 | 1.7° | 0.0° |
| C02 | C10 | C06 | N09 | 177.2° | 179.7° |
| C02 | C10 | C06 | N07 | 177.5° | 179.7° |
| C02 | C10 | N09 | C08 | 177.0° | 179.7° |
| C10 | C02 | N01 | H1 | 1.0° | 0.0° |
| C10 | C02 | N01 | H2 | 121.0° | 179.9° |
| C10 | C02 | C03 | H3 | 179.0° | 180.0° |
| C04 | C05 | C06 | H5 | 180.0° | 179.9° |
| C04 | C05 | C06 | C10 | 0.6° | 0.1° |
| C04 | C05 | C06 | N07 | 178.4° | 179.7° |
| C05 | C04 | C03 | H3 | 179.9° | 179.9° |
| C05 | C06 | C10 | N07 | 179.2° | 179.7° |
| C05 | C06 | C10 | N09 | 178.9° | 179.7° |
| C05 | C06 | N07 | C08 | 179.0° | 179.7° |
| C06 | C05 | C04 | H4 | 179.7° | 180.0° |
| C05 | C06 | N07 | H6 | 1.0° | 0.3° |
| C06 | C10 | N09 | C08 | 0.4° | 0.1° |
| C10 | C06 | N07 | C08 | 0.2° | 0.0° |
| C10 | C06 | C05 | H5 | 179.4° | 180.0° |
| C10 | C06 | N07 | H6 | 179.8° | 180.0° |
| N09 | C10 | C06 | N07 | 0.4° | 0.0° |
| C10 | N09 | C08 | N07 | 0.2° | 0.1° |
| C10 | N09 | C08 | H7 | 179.8° | 180.0° |
| C06 | N07 | C08 | N09 | 0.0° | 0.0° |
| C06 | N07 | C08 | H6 | 180.0° | 180.0° |
| N07 | C06 | C05 | H5 | 1.6° | 0.4° |
| C06 | N07 | C08 | H7 | 180.0° | 180.0° |
| N09 | C08 | N07 | H7 | 180.0° | 179.9° |
| N09 | C08 | N07 | H6 | 180.0° | 179.9° |
| H3 | C03 | C04 | H4 | 0.1° | 0.0° |
| H4 | C04 | C05 | H5 | 0.3° | 0.1° |
| H6 | N07 | C08 | H7 | 0.0° | 0.0° |






