AW7
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C4 | C1 | doub | 1.39Å | 1.37Å | Aromatic |
| C4 | N2 | sing | 1.32Å | 1.34Å | Aromatic |
| C1 | C2 | sing | 1.39Å | 1.38Å | Aromatic |
| N2 | C3 | doub | 1.32Å | 1.33Å | Aromatic |
| C2 | N1 | doub | 1.32Å | 1.34Å | Aromatic |
| C3 | N1 | sing | 1.32Å | 1.33Å | Aromatic |
| C3 | O1 | sing | 1.35Å | 1.37Å | |
| O1 | C5 | sing | 1.36Å | 1.41Å | |
| C5 | C6 | doub | 1.39Å | 1.38Å | Aromatic |
| C5 | C10 | sing | 1.39Å | 1.38Å | Aromatic |
| C6 | C7 | sing | 1.38Å | 1.38Å | Aromatic |
| C10 | C9 | doub | 1.38Å | 1.38Å | Aromatic |
| C7 | C8 | doub | 1.39Å | 1.39Å | Aromatic |
| C9 | C8 | sing | 1.39Å | 1.39Å | Aromatic |
| C8 | C11 | sing | 1.48Å | 1.47Å | |
| C11 | C12 | sing | 1.41Å | 1.40Å | Aromatic |
| C11 | N4 | doub | 1.32Å | 1.34Å | Aromatic |
| C12 | C13 | doub | 1.35Å | 1.37Å | Aromatic |
| N4 | N3 | sing | 1.40Å | 1.35Å | Aromatic |
| C13 | N3 | sing | 1.35Å | 1.34Å | Aromatic |
| N3 | H1 | sing | 0.97Å | 1.00Å | |
| C4 | H2 | sing | 1.08Å | 1.08Å | |
| C6 | H3 | sing | 1.08Å | 1.08Å | |
| C7 | H4 | sing | 1.08Å | 1.08Å | |
| C10 | H5 | sing | 1.08Å | 1.08Å | |
| C13 | H6 | sing | 1.08Å | 1.08Å | |
| C1 | H7 | sing | 1.08Å | 1.08Å | |
| C2 | H8 | sing | 1.08Å | 1.08Å | |
| C9 | H9 | sing | 1.08Å | 1.08Å | |
| C12 | H10 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | C4 | N2 | 122.7° | 119.2° |
| C4 | C1 | C2 | 116.2° | 118.5° |
| C1 | C4 | H2 | 118.7° | 120.4° |
| C4 | C1 | H7 | 121.9° | 120.7° |
| C4 | N2 | C3 | 115.2° | 120.8° |
| N2 | C4 | H2 | 118.6° | 120.4° |
| C1 | C2 | N1 | 123.2° | 119.2° |
| C2 | C1 | H7 | 121.9° | 120.7° |
| C1 | C2 | H8 | 118.4° | 120.4° |
| N2 | C3 | N1 | 128.1° | 121.6° |
| N2 | C3 | O1 | 109.6° | 119.2° |
| C2 | N1 | C3 | 114.6° | 120.8° |
| N1 | C2 | H8 | 118.4° | 120.4° |
| N1 | C3 | O1 | 122.2° | 119.2° |
| C3 | O1 | C5 | 124.8° | 118.0° |
| O1 | C5 | C6 | 117.4° | 119.9° |
| O1 | C5 | C10 | 122.3° | 119.9° |
| C6 | C5 | C10 | 120.2° | 120.2° |
| C5 | C6 | C7 | 119.7° | 120.1° |
| C5 | C6 | H3 | 120.1° | 120.0° |
| C5 | C10 | C9 | 119.8° | 120.1° |
| C5 | C10 | H5 | 120.1° | 120.0° |
| C6 | C7 | C8 | 121.2° | 119.9° |
| C7 | C6 | H3 | 120.2° | 119.9° |
| C6 | C7 | H4 | 119.4° | 120.0° |
| C10 | C9 | C8 | 121.1° | 120.0° |
| C9 | C10 | H5 | 120.1° | 120.0° |
| C10 | C9 | H9 | 119.4° | 120.1° |
| C7 | C8 | C9 | 117.9° | 119.8° |
| C7 | C8 | C11 | 120.8° | 120.1° |
| C8 | C7 | H4 | 119.4° | 120.1° |
| C9 | C8 | C11 | 121.2° | 120.1° |
| C8 | C9 | H9 | 119.5° | 120.0° |
| C8 | C11 | C12 | 128.7° | 126.1° |
| C8 | C11 | N4 | 120.9° | 126.0° |
| C12 | C11 | N4 | 110.4° | 107.9° |
| C11 | C12 | C13 | 105.3° | 107.9° |
| C11 | C12 | H10 | 127.4° | 126.1° |
| C11 | N4 | N3 | 105.2° | 108.1° |
| C12 | C13 | N3 | 107.3° | 108.0° |
| C12 | C13 | H6 | 126.3° | 126.0° |
| C13 | C12 | H10 | 127.4° | 126.1° |
| N4 | N3 | C13 | 111.8° | 108.2° |
| N4 | N3 | H1 | 124.1° | 125.9° |
| C13 | N3 | H1 | 124.1° | 126.0° |
| N3 | C13 | H6 | 126.3° | 126.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | C4 | N2 | H2 | 180.0° | 180.0° |
| C4 | C1 | C2 | H7 | 180.0° | 180.0° |
| C1 | C4 | N2 | C3 | 0.6° | 0.1° |
| C4 | C1 | C2 | N1 | 0.4° | 0.0° |
| C4 | C1 | C2 | H8 | 179.6° | 180.0° |
| N2 | C4 | C1 | C2 | 1.0° | 0.0° |
| C4 | N2 | C3 | N1 | 0.4° | 0.1° |
| C4 | N2 | C3 | O1 | 178.9° | 180.0° |
| N2 | C4 | C1 | H7 | 179.0° | 179.9° |
| C1 | C2 | N1 | H8 | 180.0° | 179.9° |
| C1 | C2 | N1 | C3 | 0.4° | 0.0° |
| C2 | C1 | C4 | H2 | 179.0° | 180.0° |
| N2 | C3 | N1 | C2 | 0.8° | 0.1° |
| N2 | C3 | N1 | O1 | 178.4° | 179.9° |
| N2 | C3 | O1 | C5 | 167.8° | 5.7° |
| C3 | N2 | C4 | H2 | 179.4° | 179.9° |
| C2 | N1 | C3 | O1 | 179.2° | 180.0° |
| N1 | C2 | C1 | H7 | 179.6° | 180.0° |
| N1 | C3 | O1 | C5 | 13.5° | 174.2° |
| C3 | N1 | C2 | H8 | 179.6° | 179.9° |
| C3 | O1 | C5 | C6 | 154.4° | 69.3° |
| C3 | O1 | C5 | C10 | 28.3° | 110.9° |
| O1 | C5 | C6 | C10 | 177.3° | 179.8° |
| O1 | C5 | C6 | C7 | 178.7° | 179.8° |
| O1 | C5 | C10 | C9 | 178.8° | 179.7° |
| O1 | C5 | C6 | H3 | 1.3° | 0.2° |
| O1 | C5 | C10 | H5 | 1.1° | 0.2° |
| C5 | C6 | C7 | H3 | 180.0° | 180.0° |
| C6 | C5 | C10 | C9 | 1.6° | 0.0° |
| C5 | C6 | C7 | C8 | 0.1° | 0.0° |
| C5 | C6 | C7 | H4 | 179.9° | 180.0° |
| C6 | C5 | C10 | H5 | 178.3° | 180.0° |
| C10 | C5 | C6 | C7 | 1.4° | 0.0° |
| C5 | C10 | C9 | H5 | 180.0° | 179.9° |
| C5 | C10 | C9 | C8 | 0.7° | 0.0° |
| C10 | C5 | C6 | H3 | 178.6° | 180.0° |
| C5 | C10 | C9 | H9 | 179.3° | 180.0° |
| C6 | C7 | C8 | H4 | 180.0° | 180.0° |
| C6 | C7 | C8 | C9 | 0.8° | 0.0° |
| C6 | C7 | C8 | C11 | 178.7° | 180.0° |
| C10 | C9 | C8 | C7 | 0.5° | 0.0° |
| C10 | C9 | C8 | H9 | 180.0° | 180.0° |
| C10 | C9 | C8 | C11 | 178.4° | 179.9° |
| C7 | C8 | C9 | C11 | 177.9° | 179.9° |
| C7 | C8 | C11 | C12 | 17.1° | 180.0° |
| C7 | C8 | C11 | N4 | 159.5° | 0.3° |
| C8 | C7 | C6 | H3 | 179.9° | 179.9° |
| C7 | C8 | C9 | H9 | 179.5° | 180.0° |
| C9 | C8 | C11 | C12 | 165.1° | 0.0° |
| C9 | C8 | C11 | N4 | 18.4° | 179.7° |
| C9 | C8 | C7 | H4 | 179.2° | 180.0° |
| C8 | C9 | C10 | H5 | 179.3° | 180.0° |
| C8 | C11 | C12 | N4 | 176.8° | 179.7° |
| C8 | C11 | C12 | C13 | 178.1° | 180.0° |
| C8 | C11 | N4 | N3 | 178.6° | 179.8° |
| C11 | C8 | C7 | H4 | 1.3° | 0.1° |
| C11 | C8 | C9 | H9 | 1.6° | 0.1° |
| C8 | C11 | C12 | H10 | 1.9° | 0.2° |
| C11 | C12 | C13 | H10 | 180.0° | 179.8° |
| C12 | C11 | N4 | N3 | 1.4° | 0.4° |
| C11 | C12 | C13 | N3 | 0.6° | 0.0° |
| C11 | C12 | C13 | H6 | 179.4° | 180.0° |
| N4 | C11 | C12 | C13 | 1.3° | 0.3° |
| C11 | N4 | N3 | C13 | 1.0° | 0.4° |
| C11 | N4 | N3 | H1 | 178.9° | 179.8° |
| N4 | C11 | C12 | H10 | 178.7° | 179.9° |
| C12 | C13 | N3 | N4 | 0.2° | 0.3° |
| C12 | C13 | N3 | H6 | 180.0° | 180.0° |
| C12 | C13 | N3 | H1 | 179.7° | 180.0° |
| N4 | N3 | C13 | H1 | 180.0° | 179.8° |
| N4 | N3 | C13 | H6 | 179.8° | 179.8° |
| N3 | C13 | C12 | H10 | 179.4° | 179.8° |
| H1 | N3 | C13 | H6 | 0.3° | 0.0° |
| H2 | C4 | C1 | H7 | 1.0° | 0.0° |
| H3 | C6 | C7 | H4 | 0.2° | 0.0° |
| H5 | C10 | C9 | H9 | 0.7° | 0.0° |
| H6 | C13 | C12 | H10 | 0.6° | 0.2° |
| H7 | C1 | C2 | H8 | 0.4° | 0.1° |
