AWG
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C2 | C3 | doub | 1.38Å | 1.38Å | Aromatic |
| C2 | C1 | sing | 1.38Å | 1.39Å | Aromatic |
| C3 | C4 | sing | 1.39Å | 1.39Å | Aromatic |
| C1 | C6 | doub | 1.38Å | 1.38Å | Aromatic |
| C4 | N2 | sing | 1.40Å | 1.40Å | |
| C4 | C5 | doub | 1.39Å | 1.41Å | Aromatic |
| C6 | C5 | sing | 1.39Å | 1.41Å | Aromatic |
| N2 | C7 | sing | 1.38Å | 1.36Å | |
| C5 | N1 | sing | 1.40Å | 1.39Å | |
| C7 | N3 | sing | 1.37Å | 1.35Å | Aromatic |
| C7 | N4 | doub | 1.31Å | 1.32Å | Aromatic |
| N3 | C8 | sing | 1.38Å | 1.38Å | Aromatic |
| N4 | C13 | sing | 1.36Å | 1.39Å | Aromatic |
| C8 | C13 | doub | 1.40Å | 1.40Å | Aromatic |
| C8 | C9 | sing | 1.39Å | 1.39Å | Aromatic |
| C13 | C12 | sing | 1.40Å | 1.39Å | Aromatic |
| C9 | C10 | doub | 1.38Å | 1.38Å | Aromatic |
| C12 | C11 | doub | 1.38Å | 1.38Å | Aromatic |
| C10 | C11 | sing | 1.39Å | 1.40Å | Aromatic |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| N1 | H2 | sing | 0.97Å | 1.00Å | |
| N3 | H3 | sing | 0.97Å | 1.00Å | |
| C6 | H4 | sing | 1.08Å | 1.08Å | |
| C10 | H5 | sing | 1.08Å | 1.08Å | |
| C1 | H6 | sing | 1.08Å | 1.08Å | |
| C2 | H7 | sing | 1.08Å | 1.08Å | |
| C3 | H8 | sing | 1.08Å | 1.08Å | |
| N2 | H9 | sing | 0.97Å | 1.00Å | |
| C9 | H10 | sing | 1.08Å | 1.08Å | |
| C11 | H11 | sing | 1.08Å | 1.08Å | |
| C12 | H12 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C3 | C2 | C1 | 120.6° | 120.2° |
| C2 | C3 | C4 | 120.2° | 120.0° |
| C3 | C2 | H7 | 119.7° | 119.9° |
| C2 | C3 | H8 | 119.9° | 120.0° |
| C2 | C1 | C6 | 120.0° | 120.2° |
| C2 | C1 | H6 | 120.0° | 119.9° |
| C1 | C2 | H7 | 119.7° | 119.9° |
| C3 | C4 | N2 | 118.9° | 120.1° |
| C3 | C4 | C5 | 119.8° | 119.8° |
| C4 | C3 | H8 | 119.9° | 120.0° |
| C1 | C6 | C5 | 120.6° | 120.0° |
| C1 | C6 | H4 | 119.7° | 120.0° |
| C6 | C1 | H6 | 120.0° | 119.9° |
| N2 | C4 | C5 | 121.3° | 120.1° |
| C4 | N2 | C7 | 126.6° | 120.0° |
| C4 | N2 | H9 | 116.7° | 120.0° |
| C4 | C5 | C6 | 118.8° | 119.8° |
| C4 | C5 | N1 | 120.9° | 120.1° |
| C6 | C5 | N1 | 120.3° | 120.1° |
| C5 | C6 | H4 | 119.7° | 120.0° |
| N2 | C7 | N3 | 122.0° | 125.1° |
| N2 | C7 | N4 | 125.2° | 125.1° |
| C7 | N2 | H9 | 116.7° | 120.0° |
| C5 | N1 | H1 | 109.5° | 120.1° |
| C5 | N1 | H2 | 109.5° | 120.0° |
| N3 | C7 | N4 | 112.7° | 109.8° |
| C7 | N3 | C8 | 107.5° | 107.2° |
| C7 | N3 | H3 | 126.3° | 126.4° |
| C7 | N4 | C13 | 104.9° | 109.7° |
| N3 | C8 | C13 | 105.1° | 106.2° |
| N3 | C8 | C9 | 132.4° | 133.9° |
| C8 | N3 | H3 | 126.3° | 126.4° |
| N4 | C13 | C8 | 109.7° | 107.1° |
| N4 | C13 | C12 | 130.5° | 133.4° |
| C13 | C8 | C9 | 122.5° | 119.9° |
| C8 | C13 | C12 | 119.8° | 119.5° |
| C8 | C9 | C10 | 117.0° | 119.9° |
| C8 | C9 | H10 | 121.5° | 120.1° |
| C13 | C12 | C11 | 117.9° | 119.8° |
| C13 | C12 | H12 | 121.0° | 120.2° |
| C9 | C10 | C11 | 121.3° | 120.5° |
| C9 | C10 | H5 | 119.3° | 119.8° |
| C10 | C9 | H10 | 121.5° | 120.1° |
| C12 | C11 | C10 | 121.5° | 120.4° |
| C12 | C11 | H11 | 119.2° | 119.8° |
| C11 | C12 | H12 | 121.1° | 120.1° |
| C11 | C10 | H5 | 119.3° | 119.7° |
| C10 | C11 | H11 | 119.3° | 119.8° |
| H1 | N1 | H2 | 109.5° | 119.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C3 | C2 | C1 | H7 | 180.0° | 179.4° |
| C2 | C3 | C4 | H8 | 180.0° | 179.4° |
| C3 | C2 | C1 | C6 | 1.0° | 0.3° |
| C2 | C3 | C4 | N2 | 179.5° | 179.7° |
| C2 | C3 | C4 | C5 | 0.6° | 0.6° |
| C3 | C2 | C1 | H6 | 179.1° | 179.7° |
| C1 | C2 | C3 | C4 | 0.8° | 0.6° |
| C2 | C1 | C6 | H6 | 180.0° | 180.0° |
| C2 | C1 | C6 | C5 | 0.9° | 0.0° |
| C2 | C1 | C6 | H4 | 179.1° | 180.0° |
| C1 | C2 | C3 | H8 | 179.2° | 180.0° |
| C3 | C4 | N2 | C5 | 179.8° | 179.7° |
| C3 | C4 | C5 | C6 | 0.6° | 0.3° |
| C3 | C4 | N2 | C7 | 114.7° | 6.7° |
| C3 | C4 | C5 | N1 | 179.8° | 179.7° |
| C4 | C3 | C2 | H7 | 179.2° | 180.0° |
| C3 | C4 | N2 | H9 | 65.3° | 173.2° |
| C1 | C6 | C5 | C4 | 0.8° | 0.0° |
| C1 | C6 | C5 | H4 | 180.0° | 180.0° |
| C1 | C6 | C5 | N1 | 180.0° | 180.0° |
| C6 | C1 | C2 | H7 | 179.0° | 179.8° |
| N2 | C4 | C5 | C6 | 179.5° | 180.0° |
| C4 | N2 | C7 | H9 | 180.0° | 180.0° |
| N2 | C4 | C5 | N1 | 0.4° | 0.0° |
| C4 | N2 | C7 | N3 | 177.9° | 175.9° |
| C4 | N2 | C7 | N4 | 4.4° | 4.2° |
| N2 | C4 | C3 | H8 | 0.5° | 0.3° |
| C4 | C5 | C6 | N1 | 179.2° | 180.0° |
| C5 | C4 | N2 | C7 | 65.4° | 173.0° |
| C4 | C5 | N1 | H1 | 180.0° | 0.0° |
| C4 | C5 | N1 | H2 | 60.0° | 179.8° |
| C4 | C5 | C6 | H4 | 179.3° | 180.0° |
| C5 | C4 | C3 | H8 | 179.3° | 180.0° |
| C5 | C4 | N2 | H9 | 114.6° | 7.1° |
| C6 | C5 | N1 | H1 | 0.8° | 179.9° |
| C6 | C5 | N1 | H2 | 119.2° | 0.3° |
| C5 | C6 | C1 | H6 | 179.1° | 180.0° |
| N2 | C7 | N3 | N4 | 178.0° | 179.9° |
| N2 | C7 | N3 | C8 | 180.0° | 180.0° |
| N2 | C7 | N4 | C13 | 179.7° | 179.8° |
| N2 | C7 | N3 | H3 | 0.0° | 0.2° |
| C5 | N1 | H1 | H2 | 120.0° | 179.8° |
| N1 | C5 | C6 | H4 | 0.1° | 0.0° |
| C7 | N3 | C8 | H3 | 180.0° | 179.8° |
| N3 | C7 | N4 | C13 | 2.3° | 0.3° |
| C7 | N3 | C8 | C13 | 0.7° | 0.2° |
| C7 | N3 | C8 | C9 | 179.2° | 179.8° |
| N3 | C7 | N2 | H9 | 2.2° | 4.1° |
| N4 | C7 | N3 | C8 | 2.0° | 0.0° |
| C7 | N4 | C13 | C8 | 1.8° | 0.4° |
| C7 | N4 | C13 | C12 | 178.9° | 179.9° |
| N4 | C7 | N3 | H3 | 178.0° | 179.8° |
| N4 | C7 | N2 | H9 | 175.6° | 175.9° |
| N3 | C8 | C13 | N4 | 0.7° | 0.4° |
| N3 | C8 | C13 | C9 | 179.9° | 180.0° |
| N3 | C8 | C13 | C12 | 180.0° | 180.0° |
| N3 | C8 | C9 | C10 | 178.9° | 180.0° |
| N3 | C8 | C9 | H10 | 1.1° | 0.0° |
| N4 | C13 | C8 | C12 | 179.4° | 179.6° |
| N4 | C13 | C8 | C9 | 179.4° | 179.6° |
| N4 | C13 | C12 | C11 | 179.9° | 179.5° |
| N4 | C13 | C12 | H12 | 0.1° | 0.5° |
| C13 | C8 | C9 | C10 | 1.0° | 0.0° |
| C8 | C13 | C12 | C11 | 0.7° | 0.0° |
| C13 | C8 | N3 | H3 | 179.2° | 180.0° |
| C13 | C8 | C9 | H10 | 178.9° | 180.0° |
| C8 | C13 | C12 | H12 | 179.3° | 180.0° |
| C9 | C8 | C13 | C12 | 0.1° | 0.0° |
| C8 | C9 | C10 | H10 | 180.0° | 180.0° |
| C8 | C9 | C10 | C11 | 1.5° | 0.0° |
| C9 | C8 | N3 | H3 | 0.8° | 0.1° |
| C8 | C9 | C10 | H5 | 178.5° | 180.0° |
| C13 | C12 | C11 | H12 | 180.0° | 180.0° |
| C13 | C12 | C11 | C10 | 0.2° | 0.1° |
| C13 | C12 | C11 | H11 | 179.9° | 180.0° |
| C9 | C10 | C11 | C12 | 1.0° | 0.1° |
| C9 | C10 | C11 | H5 | 180.0° | 180.0° |
| C9 | C10 | C11 | H11 | 179.0° | 180.0° |
| C12 | C11 | C10 | H11 | 180.0° | 179.9° |
| C12 | C11 | C10 | H5 | 179.1° | 180.0° |
| C11 | C10 | C9 | H10 | 178.5° | 180.0° |
| C10 | C11 | C12 | H12 | 179.8° | 180.0° |
| H4 | C6 | C1 | H6 | 0.9° | 0.0° |
| H5 | C10 | C9 | H10 | 1.5° | 0.0° |
| H5 | C10 | C11 | H11 | 1.0° | 0.0° |
| H6 | C1 | C2 | H7 | 1.0° | 0.3° |
| H7 | C2 | C3 | H8 | 0.9° | 0.6° |
| H11 | C11 | C12 | H12 | 0.1° | 0.0° |
