W6E
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N5 | N4 | sing | 1.29Å | 1.35Å | Aromatic |
| N5 | C7 | sing | 1.37Å | 1.38Å | Aromatic |
| N4 | N3 | doub | 1.29Å | 1.32Å | Aromatic |
| N1 | C1 | sing | 1.38Å | 1.33Å | |
| N6 | C1 | doub | 1.32Å | 1.34Å | Aromatic |
| N6 | C10 | sing | 1.34Å | 1.36Å | Aromatic |
| C9 | C10 | doub | 1.40Å | 1.41Å | Aromatic |
| C9 | C6 | sing | 1.39Å | 1.39Å | Aromatic |
| C1 | N2 | sing | 1.33Å | 1.35Å | Aromatic |
| N3 | C8 | sing | 1.33Å | 1.34Å | Aromatic |
| C7 | C6 | sing | 1.48Å | 1.47Å | |
| C7 | C8 | doub | 1.37Å | 1.36Å | Aromatic |
| C10 | C3 | sing | 1.42Å | 1.42Å | Aromatic |
| C6 | C5 | doub | 1.40Å | 1.40Å | Aromatic |
| N2 | C2 | doub | 1.32Å | 1.32Å | Aromatic |
| C3 | C2 | sing | 1.41Å | 1.41Å | Aromatic |
| C3 | C4 | doub | 1.40Å | 1.43Å | Aromatic |
| C5 | C4 | sing | 1.36Å | 1.37Å | Aromatic |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C8 | H6 | sing | 1.08Å | 1.08Å | |
| C9 | H8 | sing | 1.08Å | 1.08Å | |
| N1 | H2 | sing | 0.97Å | 1.00Å | |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| C2 | H3 | sing | 1.08Å | 1.08Å | |
| N5 | H7 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N4 | N5 | C7 | 106.7° | 108.0° |
| N5 | N4 | N3 | 109.3° | 110.6° |
| N4 | N5 | H7 | 126.7° | 126.0° |
| N5 | C7 | C6 | 126.9° | 127.1° |
| N5 | C7 | C8 | 106.7° | 105.7° |
| C7 | N5 | H7 | 126.6° | 126.0° |
| N4 | N3 | C8 | 108.9° | 109.3° |
| N1 | C1 | N6 | 116.4° | 118.7° |
| N1 | C1 | N2 | 117.8° | 118.7° |
| C1 | N1 | H2 | 109.5° | 120.0° |
| C1 | N1 | H1 | 109.4° | 120.0° |
| C1 | N6 | C10 | 115.9° | 120.2° |
| N6 | C1 | N2 | 125.8° | 122.6° |
| N6 | C10 | C9 | 117.6° | 121.8° |
| N6 | C10 | C3 | 122.0° | 118.8° |
| C10 | C9 | C6 | 120.3° | 119.4° |
| C9 | C10 | C3 | 120.4° | 119.4° |
| C10 | C9 | H8 | 119.8° | 120.3° |
| C9 | C6 | C7 | 120.3° | 119.7° |
| C9 | C6 | C5 | 118.9° | 120.6° |
| C6 | C9 | H8 | 119.9° | 120.3° |
| C1 | N2 | C2 | 118.6° | 121.6° |
| N3 | C8 | C7 | 107.9° | 106.4° |
| N3 | C8 | H6 | 126.0° | 126.8° |
| C6 | C7 | C8 | 126.0° | 127.1° |
| C7 | C6 | C5 | 120.6° | 119.7° |
| C7 | C8 | H6 | 126.0° | 126.8° |
| C10 | C3 | C2 | 116.7° | 118.3° |
| C10 | C3 | C4 | 118.2° | 119.9° |
| C6 | C5 | C4 | 122.1° | 120.9° |
| C6 | C5 | H5 | 119.0° | 119.6° |
| N2 | C2 | C3 | 120.9° | 118.6° |
| N2 | C2 | H3 | 119.6° | 120.7° |
| C2 | C3 | C4 | 125.1° | 121.8° |
| C3 | C2 | H3 | 119.5° | 120.8° |
| C3 | C4 | C5 | 119.9° | 119.8° |
| C3 | C4 | H4 | 120.0° | 120.1° |
| C5 | C4 | H4 | 120.0° | 120.1° |
| C4 | C5 | H5 | 119.0° | 119.5° |
| H2 | N1 | H1 | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N4 | N5 | C7 | H7 | 180.0° | 179.6° |
| N5 | N4 | N3 | C8 | 1.7° | 0.3° |
| N4 | N5 | C7 | C6 | 179.4° | 179.8° |
| N4 | N5 | C7 | C8 | 6.9° | 0.3° |
| C7 | N5 | N4 | N3 | 5.3° | 0.4° |
| N5 | C7 | C6 | C9 | 14.9° | 0.2° |
| N5 | C7 | C8 | N3 | 5.9° | 0.2° |
| N5 | C7 | C6 | C8 | 171.1° | 179.8° |
| N5 | C7 | C6 | C5 | 170.7° | 179.7° |
| N5 | C7 | C8 | H6 | 174.1° | 179.7° |
| N4 | N3 | C8 | C7 | 2.7° | 0.0° |
| N4 | N3 | C8 | H6 | 177.3° | 179.9° |
| N3 | N4 | N5 | H7 | 174.7° | 180.0° |
| N1 | C1 | N6 | N2 | 177.5° | 179.7° |
| N1 | C1 | N6 | C10 | 178.3° | 179.7° |
| N1 | C1 | N2 | C2 | 179.3° | 180.0° |
| C1 | N1 | H2 | H1 | 120.0° | 179.9° |
| C1 | N6 | C10 | C9 | 179.2° | 179.9° |
| C1 | N6 | C10 | C3 | 2.0° | 0.2° |
| N6 | C1 | N2 | C2 | 1.8° | 0.4° |
| N6 | C1 | N1 | H2 | 0.0° | 179.8° |
| N6 | C1 | N1 | H1 | 120.0° | 0.4° |
| N6 | C10 | C9 | C3 | 178.8° | 179.7° |
| N6 | C10 | C9 | C6 | 175.7° | 180.0° |
| C10 | N6 | C1 | N2 | 0.9° | 0.1° |
| N6 | C10 | C3 | C2 | 4.0° | 0.2° |
| N6 | C10 | C3 | C4 | 178.5° | 179.8° |
| N6 | C10 | C9 | H8 | 4.2° | 0.3° |
| C10 | C9 | C6 | H8 | 180.0° | 179.7° |
| C10 | C9 | C6 | C7 | 179.5° | 180.0° |
| C10 | C9 | C6 | C5 | 5.1° | 0.0° |
| C9 | C10 | C3 | C2 | 177.3° | 179.9° |
| C9 | C10 | C3 | C4 | 0.2° | 0.5° |
| C9 | C6 | C7 | C5 | 174.3° | 179.9° |
| C9 | C6 | C7 | C8 | 173.9° | 180.0° |
| C6 | C9 | C10 | C3 | 3.0° | 0.3° |
| C9 | C6 | C5 | C4 | 4.4° | 0.0° |
| C9 | C6 | C5 | H5 | 175.6° | 180.0° |
| C1 | N2 | C2 | C3 | 3.9° | 0.3° |
| N2 | C1 | N1 | H2 | 177.7° | 0.1° |
| N2 | C1 | N1 | H1 | 57.7° | 180.0° |
| C1 | N2 | C2 | H3 | 176.1° | 179.8° |
| N3 | C8 | C7 | C6 | 178.5° | 180.0° |
| N3 | C8 | C7 | H6 | 180.0° | 179.9° |
| C7 | C6 | C5 | C4 | 178.8° | 180.0° |
| C7 | C6 | C5 | H5 | 1.2° | 0.1° |
| C6 | C7 | C8 | H6 | 1.5° | 0.1° |
| C7 | C6 | C9 | H8 | 0.5° | 0.3° |
| C6 | C7 | N5 | H7 | 0.7° | 0.2° |
| C8 | C7 | C6 | C5 | 0.4° | 0.1° |
| C8 | C7 | N5 | H7 | 173.2° | 180.0° |
| C10 | C3 | C2 | N2 | 4.9° | 0.1° |
| C10 | C3 | C2 | C4 | 177.3° | 179.5° |
| C10 | C3 | C4 | C5 | 0.6° | 0.5° |
| C10 | C3 | C4 | H4 | 179.4° | 179.7° |
| C3 | C10 | C9 | H8 | 177.0° | 180.0° |
| C10 | C3 | C2 | H3 | 175.1° | 180.0° |
| C6 | C5 | C4 | C3 | 1.6° | 0.3° |
| C6 | C5 | C4 | H5 | 180.0° | 179.9° |
| C6 | C5 | C4 | H4 | 178.4° | 179.9° |
| C5 | C6 | C9 | H8 | 174.9° | 179.8° |
| N2 | C2 | C3 | H3 | 180.0° | 179.9° |
| N2 | C2 | C3 | C4 | 177.8° | 179.5° |
| C2 | C3 | C4 | C5 | 177.8° | 180.0° |
| C2 | C3 | C4 | H4 | 2.2° | 0.2° |
| C3 | C4 | C5 | H4 | 180.0° | 179.8° |
| C3 | C4 | C5 | H5 | 178.4° | 179.8° |
| C4 | C3 | C2 | H3 | 2.2° | 0.4° |
| H4 | C4 | C5 | H5 | 1.6° | 0.0° |
