7WP
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N3 | C4 | sing | 1.38Å | 1.35Å | |
| C4 | N2 | doub | 1.33Å | 1.36Å | Aromatic |
| C4 | N4 | sing | 1.32Å | 1.36Å | Aromatic |
| N2 | C3 | sing | 1.33Å | 1.33Å | Aromatic |
| N4 | C5 | doub | 1.34Å | 1.36Å | Aromatic |
| C3 | N1 | sing | 1.38Å | 1.35Å | |
| C3 | C2 | doub | 1.47Å | 1.43Å | Aromatic |
| C5 | C2 | sing | 1.42Å | 1.39Å | Aromatic |
| C5 | N5 | sing | 1.34Å | 1.36Å | Aromatic |
| C2 | N | sing | 1.32Å | 1.37Å | Aromatic |
| N5 | C6 | doub | 1.31Å | 1.33Å | Aromatic |
| N | C1 | doub | 1.33Å | 1.31Å | Aromatic |
| C6 | C1 | sing | 1.41Å | 1.38Å | Aromatic |
| C1 | C | sing | 1.47Å | 1.54Å | |
| N3 | H1 | sing | 0.97Å | 1.00Å | |
| N3 | H2 | sing | 0.97Å | 1.00Å | |
| C | H3 | sing | 1.08Å | 1.08Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| N1 | H7 | sing | 0.97Å | 1.00Å | |
| N1 | H8 | sing | 0.97Å | 1.00Å | |
| C | O1 | doub | 1.21Å | 1.28Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N3 | C4 | N2 | 116.9° | 118.2° |
| N3 | C4 | N4 | 117.0° | 118.2° |
| C4 | N3 | H1 | 109.5° | 119.9° |
| C4 | N3 | H2 | 109.5° | 120.0° |
| N2 | C4 | N4 | 126.1° | 123.6° |
| C4 | N2 | C3 | 117.5° | 121.3° |
| C4 | N4 | C5 | 116.5° | 121.1° |
| N2 | C3 | N1 | 116.9° | 121.2° |
| N2 | C3 | C2 | 120.1° | 117.6° |
| N4 | C5 | C2 | 121.2° | 118.6° |
| N4 | C5 | N5 | 116.5° | 121.8° |
| N1 | C3 | C2 | 122.9° | 121.2° |
| C3 | N1 | H7 | 109.5° | 120.0° |
| C3 | N1 | H8 | 109.5° | 120.0° |
| C3 | C2 | C5 | 118.5° | 117.8° |
| C3 | C2 | N | 121.2° | 122.0° |
| C2 | C5 | N5 | 122.3° | 119.6° |
| C5 | C2 | N | 120.3° | 120.2° |
| C5 | N5 | C6 | 115.8° | 119.7° |
| C2 | N | C1 | 116.4° | 119.5° |
| N5 | C6 | C1 | 121.5° | 120.6° |
| N5 | C6 | H6 | 119.2° | 119.7° |
| N | C1 | C6 | 123.7° | 120.4° |
| N | C1 | C | 115.9° | 119.8° |
| C6 | C1 | C | 120.4° | 119.8° |
| C1 | C6 | H6 | 119.3° | 119.7° |
| C1 | C | H3 | 119.8° | 120.0° |
| C1 | C | O1 | 120.4° | 120.0° |
| H1 | N3 | H2 | 109.5° | 120.0° |
| H3 | C | O1 | 119.8° | 120.0° |
| H7 | N1 | H8 | 109.4° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N3 | C4 | N2 | N4 | 177.3° | 179.7° |
| N3 | C4 | N2 | C3 | 177.1° | 180.0° |
| N3 | C4 | N4 | C5 | 175.4° | 180.0° |
| C4 | N3 | H1 | H2 | 120.0° | 180.0° |
| N2 | C4 | N4 | C5 | 1.9° | 0.3° |
| C4 | N2 | C3 | N1 | 174.6° | 180.0° |
| C4 | N2 | C3 | C2 | 1.8° | 0.0° |
| N2 | C4 | N3 | H1 | 0.0° | 0.0° |
| N2 | C4 | N3 | H2 | 120.0° | 180.0° |
| N4 | C4 | N2 | C3 | 0.1° | 0.3° |
| C4 | N4 | C5 | C2 | 1.7° | 0.0° |
| C4 | N4 | C5 | N5 | 179.5° | 180.0° |
| N4 | C4 | N3 | H1 | 177.5° | 179.8° |
| N4 | C4 | N3 | H2 | 62.5° | 0.2° |
| N2 | C3 | N1 | C2 | 176.3° | 180.0° |
| N2 | C3 | C2 | C5 | 1.9° | 0.3° |
| N2 | C3 | C2 | N | 179.5° | 179.9° |
| N2 | C3 | N1 | H7 | 0.0° | 180.0° |
| N2 | C3 | N1 | H8 | 120.0° | 0.0° |
| N4 | C5 | C2 | C3 | 0.1° | 0.3° |
| N4 | C5 | C2 | N5 | 178.7° | 180.0° |
| N4 | C5 | C2 | N | 177.7° | 179.9° |
| N4 | C5 | N5 | C6 | 177.9° | 180.0° |
| N1 | C3 | C2 | C5 | 174.3° | 179.7° |
| N1 | C3 | C2 | N | 3.3° | 0.1° |
| C3 | N1 | H7 | H8 | 120.0° | 180.0° |
| C3 | C2 | C5 | N | 177.6° | 179.6° |
| C3 | C2 | C5 | N5 | 178.6° | 179.7° |
| C3 | C2 | N | C1 | 177.4° | 179.7° |
| C2 | C3 | N1 | H7 | 176.3° | 0.0° |
| C2 | C3 | N1 | H8 | 63.7° | 180.0° |
| C2 | C5 | N5 | C6 | 0.9° | 0.0° |
| C5 | C2 | N | C1 | 0.1° | 0.1° |
| N5 | C5 | C2 | N | 1.0° | 0.0° |
| C5 | N5 | C6 | C1 | 0.2° | 0.0° |
| C5 | N5 | C6 | H6 | 179.8° | 180.0° |
| C2 | N | C1 | C6 | 1.3° | 0.1° |
| C2 | N | C1 | C | 175.5° | 179.9° |
| N5 | C6 | C1 | N | 1.5° | 0.0° |
| N5 | C6 | C1 | H6 | 180.0° | 180.0° |
| N5 | C6 | C1 | C | 175.3° | 180.0° |
| N | C1 | C6 | C | 176.8° | 180.0° |
| N | C1 | C | H3 | 1.0° | 180.0° |
| N | C1 | C6 | H6 | 178.6° | 180.0° |
| N | C1 | C | O1 | 179.0° | 0.1° |
| C6 | C1 | C | H3 | 176.0° | 0.0° |
| C6 | C1 | C | O1 | 4.0° | 180.0° |
| C1 | C | H3 | O1 | 180.0° | 180.0° |
| C | C1 | C6 | H6 | 4.7° | 0.0° |
