EXG
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C11 | C10 | doub | 1.38Å | 1.39Å | Aromatic |
| C11 | C12 | sing | 1.39Å | 1.39Å | Aromatic |
| C | N | sing | 1.46Å | 1.46Å | |
| C | C1 | sing | 1.51Å | 1.51Å | |
| C10 | C9 | sing | 1.39Å | 1.39Å | Aromatic |
| C12 | N | sing | 1.38Å | 1.38Å | Aromatic |
| C12 | C8 | doub | 1.41Å | 1.37Å | Aromatic |
| N | C7 | sing | 1.36Å | 1.36Å | Aromatic |
| C9 | N2 | doub | 1.31Å | 1.35Å | Aromatic |
| C7 | N1 | doub | 1.30Å | 1.31Å | Aromatic |
| C8 | N2 | sing | 1.33Å | 1.35Å | Aromatic |
| C8 | N1 | sing | 1.36Å | 1.38Å | Aromatic |
| C1 | C6 | doub | 1.38Å | 1.39Å | Aromatic |
| C1 | C2 | sing | 1.38Å | 1.39Å | Aromatic |
| C6 | C5 | sing | 1.38Å | 1.39Å | Aromatic |
| C2 | C3 | doub | 1.38Å | 1.39Å | Aromatic |
| C5 | C4 | doub | 1.38Å | 1.38Å | Aromatic |
| C3 | C4 | sing | 1.38Å | 1.38Å | Aromatic |
| C2 | H1 | sing | 1.08Å | 1.08Å | |
| C3 | H2 | sing | 1.08Å | 1.08Å | |
| C11 | H3 | sing | 1.08Å | 1.08Å | |
| C10 | H4 | sing | 1.08Å | 1.08Å | |
| C9 | H5 | sing | 1.08Å | 1.08Å | |
| C7 | H6 | sing | 1.08Å | 1.08Å | |
| C | H7 | sing | 1.09Å | 1.10Å | |
| C | H8 | sing | 1.09Å | 1.10Å | |
| C6 | H9 | sing | 1.08Å | 1.08Å | |
| C5 | H10 | sing | 1.08Å | 1.08Å | |
| C4 | H11 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C10 | C11 | C12 | 116.3° | 118.2° |
| C11 | C10 | C9 | 119.1° | 119.4° |
| C10 | C11 | H3 | 121.8° | 120.9° |
| C11 | C10 | H4 | 120.4° | 120.3° |
| C11 | C12 | N | 133.1° | 134.4° |
| C11 | C12 | C8 | 121.8° | 119.4° |
| C12 | C11 | H3 | 121.9° | 120.9° |
| N | C | C1 | 111.1° | 109.5° |
| C | N | C12 | 126.4° | 126.4° |
| C | N | C7 | 127.3° | 126.4° |
| N | C | H7 | 109.1° | 109.5° |
| N | C | H8 | 109.1° | 109.5° |
| C | C1 | C6 | 120.9° | 120.0° |
| C | C1 | C2 | 120.6° | 120.0° |
| C1 | C | H7 | 109.1° | 109.5° |
| C1 | C | H8 | 109.1° | 109.4° |
| C10 | C9 | N2 | 124.1° | 121.5° |
| C9 | C10 | H4 | 120.5° | 120.3° |
| C10 | C9 | H5 | 118.0° | 119.2° |
| N | C12 | C8 | 105.0° | 106.2° |
| C12 | N | C7 | 106.0° | 107.3° |
| C12 | C8 | N2 | 122.0° | 120.0° |
| C12 | C8 | N1 | 111.4° | 106.7° |
| N | C7 | N1 | 113.7° | 110.1° |
| N | C7 | H6 | 123.1° | 125.0° |
| C9 | N2 | C8 | 116.7° | 121.5° |
| N2 | C9 | H5 | 118.0° | 119.3° |
| C7 | N1 | C8 | 103.8° | 109.7° |
| N1 | C7 | H6 | 123.2° | 124.9° |
| N2 | C8 | N1 | 126.5° | 133.3° |
| C6 | C1 | C2 | 118.5° | 120.0° |
| C1 | C6 | C5 | 120.8° | 120.1° |
| C1 | C6 | H9 | 119.6° | 120.0° |
| C1 | C2 | C3 | 120.7° | 120.0° |
| C1 | C2 | H1 | 119.6° | 120.0° |
| C6 | C5 | C4 | 120.1° | 120.0° |
| C5 | C6 | H9 | 119.6° | 120.0° |
| C6 | C5 | H10 | 120.0° | 120.0° |
| C2 | C3 | C4 | 120.2° | 120.0° |
| C3 | C2 | H1 | 119.6° | 120.0° |
| C2 | C3 | H2 | 119.9° | 120.0° |
| C5 | C4 | C3 | 119.6° | 120.0° |
| C4 | C5 | H10 | 119.9° | 120.0° |
| C5 | C4 | H11 | 120.2° | 120.0° |
| C4 | C3 | H2 | 119.9° | 120.0° |
| C3 | C4 | H11 | 120.2° | 120.0° |
| H7 | C | H8 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C10 | C11 | C12 | H3 | 180.0° | 179.8° |
| C11 | C10 | C9 | H4 | 180.0° | 179.9° |
| C10 | C11 | C12 | N | 178.8° | 180.0° |
| C10 | C11 | C12 | C8 | 0.8° | 0.0° |
| C11 | C10 | C9 | N2 | 1.4° | 0.0° |
| C11 | C10 | C9 | H5 | 178.6° | 180.0° |
| C11 | C12 | N | C | 7.5° | 0.0° |
| C12 | C11 | C10 | C9 | 1.8° | 0.0° |
| C11 | C12 | N | C8 | 179.6° | 180.0° |
| C11 | C12 | N | C7 | 179.0° | 180.0° |
| C11 | C12 | C8 | N2 | 0.8° | 0.0° |
| C11 | C12 | C8 | N1 | 179.0° | 180.0° |
| C12 | C11 | C10 | H4 | 178.2° | 180.0° |
| N | C | C1 | H7 | 120.2° | 120.0° |
| N | C | C1 | H8 | 120.2° | 120.0° |
| C | N | C12 | C7 | 173.5° | 179.9° |
| C | N | C12 | C8 | 172.9° | 180.0° |
| C | N | C7 | N1 | 173.1° | 180.0° |
| N | C | C1 | C6 | 83.3° | 90.0° |
| N | C | C1 | C2 | 94.5° | 90.2° |
| C | N | C7 | H6 | 6.9° | 0.1° |
| N | C | H7 | H8 | 119.3° | 120.0° |
| C1 | C | N | C12 | 77.6° | 85.0° |
| C1 | C | N | C7 | 94.5° | 95.0° |
| C | C1 | C6 | C2 | 177.9° | 179.8° |
| C | C1 | C6 | C5 | 178.1° | 179.7° |
| C | C1 | C2 | C3 | 178.2° | 179.7° |
| C | C1 | C2 | H1 | 1.8° | 0.2° |
| C1 | C | H7 | H8 | 119.3° | 119.9° |
| C | C1 | C6 | H9 | 1.9° | 0.3° |
| C10 | C9 | N2 | H5 | 180.0° | 180.0° |
| C10 | C9 | N2 | C8 | 0.1° | 0.0° |
| C9 | C10 | C11 | H3 | 178.1° | 179.7° |
| C12 | N | C7 | N1 | 0.3° | 0.1° |
| N | C12 | C8 | N2 | 179.6° | 180.0° |
| N | C12 | C8 | N1 | 0.7° | 0.0° |
| N | C12 | C11 | H3 | 1.3° | 0.3° |
| C12 | N | C7 | H6 | 179.7° | 180.0° |
| C12 | N | C | H7 | 162.2° | 35.0° |
| C12 | N | C | H8 | 42.6° | 155.1° |
| C8 | C12 | N | C7 | 0.6° | 0.1° |
| C12 | C8 | N2 | C9 | 1.2° | 0.0° |
| C12 | C8 | N1 | C7 | 0.5° | 0.0° |
| C12 | C8 | N2 | N1 | 179.7° | 180.0° |
| C8 | C12 | C11 | H3 | 179.1° | 179.7° |
| N | C7 | N1 | H6 | 180.0° | 179.9° |
| N | C7 | N1 | C8 | 0.1° | 0.1° |
| C7 | N | C | H7 | 25.7° | 145.0° |
| C7 | N | C | H8 | 145.3° | 25.0° |
| C9 | N2 | C8 | N1 | 178.5° | 180.0° |
| N2 | C9 | C10 | H4 | 178.5° | 180.0° |
| C7 | N1 | C8 | N2 | 179.8° | 180.0° |
| C8 | N2 | C9 | H5 | 179.8° | 180.0° |
| C8 | N1 | C7 | H6 | 179.9° | 180.0° |
| C1 | C6 | C5 | H9 | 180.0° | 180.0° |
| C6 | C1 | C2 | C3 | 0.4° | 0.1° |
| C1 | C6 | C5 | C4 | 0.0° | 0.0° |
| C6 | C1 | C2 | H1 | 179.6° | 180.0° |
| C6 | C1 | C | H7 | 156.5° | 150.0° |
| C6 | C1 | C | H8 | 36.9° | 30.0° |
| C1 | C6 | C5 | H10 | 180.0° | 180.0° |
| C2 | C1 | C6 | C5 | 0.2° | 0.0° |
| C1 | C2 | C3 | H1 | 180.0° | 179.9° |
| C1 | C2 | C3 | C4 | 0.3° | 0.1° |
| C1 | C2 | C3 | H2 | 179.8° | 180.0° |
| C2 | C1 | C | H7 | 25.7° | 29.8° |
| C2 | C1 | C | H8 | 145.3° | 149.8° |
| C2 | C1 | C6 | H9 | 179.8° | 180.0° |
| C6 | C5 | C4 | H10 | 180.0° | 180.0° |
| C6 | C5 | C4 | C3 | 0.1° | 0.0° |
| C6 | C5 | C4 | H11 | 179.9° | 179.9° |
| C2 | C3 | C4 | C5 | 0.0° | 0.1° |
| C2 | C3 | C4 | H2 | 180.0° | 179.9° |
| C2 | C3 | C4 | H11 | 180.0° | 180.0° |
| C5 | C4 | C3 | H11 | 180.0° | 179.9° |
| C5 | C4 | C3 | H2 | 180.0° | 180.0° |
| C4 | C5 | C6 | H9 | 180.0° | 180.0° |
| C4 | C3 | C2 | H1 | 179.7° | 180.0° |
| C3 | C4 | C5 | H10 | 179.9° | 180.0° |
| H1 | C2 | C3 | H2 | 0.2° | 0.1° |
| H2 | C3 | C4 | H11 | 0.0° | 0.1° |
| H3 | C11 | C10 | H4 | 1.9° | 0.2° |
| H4 | C10 | C9 | H5 | 1.4° | 0.0° |
| H9 | C6 | C5 | H10 | 0.0° | 0.0° |
| H10 | C5 | C4 | H11 | 0.1° | 0.1° |
