53G
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C9 | sing | 1.31Å | 1.35Å | Aromatic |
| N1 | C7 | doub | 1.34Å | 1.38Å | Aromatic |
| C9 | C10 | doub | 1.40Å | 1.43Å | Aromatic |
| C8 | C7 | sing | 1.40Å | 1.44Å | Aromatic |
| C8 | C3 | doub | 1.38Å | 1.39Å | Aromatic |
| C7 | C6 | sing | 1.42Å | 1.42Å | Aromatic |
| C | N | sing | 1.46Å | 1.48Å | |
| C1 | N | sing | 1.46Å | 1.46Å | |
| N | C2 | sing | 1.35Å | 1.36Å | |
| C2 | C3 | sing | 1.48Å | 1.55Å | |
| C2 | O | doub | 1.22Å | 1.15Å | |
| C3 | C4 | sing | 1.41Å | 1.43Å | Aromatic |
| C10 | N2 | sing | 1.31Å | 1.32Å | Aromatic |
| C6 | N2 | doub | 1.34Å | 1.39Å | Aromatic |
| C6 | C5 | sing | 1.41Å | 1.41Å | Aromatic |
| C4 | C5 | doub | 1.36Å | 1.36Å | Aromatic |
| C4 | H1 | sing | 1.08Å | 1.08Å | |
| C5 | H2 | sing | 1.08Å | 1.08Å | |
| C8 | H3 | sing | 1.08Å | 1.08Å | |
| C10 | H4 | sing | 1.08Å | 1.08Å | |
| C1 | H5 | sing | 1.09Å | 1.10Å | |
| C1 | H6 | sing | 1.09Å | 1.10Å | |
| C1 | H7 | sing | 1.09Å | 1.10Å | |
| C | H8 | sing | 1.09Å | 1.10Å | |
| C | H9 | sing | 1.09Å | 1.10Å | |
| C | H10 | sing | 1.09Å | 1.10Å | |
| C9 | H11 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C9 | N1 | C7 | 118.2° | 119.7° |
| N1 | C9 | C10 | 121.0° | 120.7° |
| N1 | C9 | H11 | 119.5° | 119.6° |
| N1 | C7 | C8 | 120.3° | 120.9° |
| N1 | C7 | C6 | 120.0° | 119.6° |
| C9 | C10 | N2 | 121.5° | 120.7° |
| C9 | C10 | H4 | 119.2° | 119.7° |
| C10 | C9 | H11 | 119.5° | 119.7° |
| C7 | C8 | C3 | 118.9° | 119.5° |
| C8 | C7 | C6 | 119.6° | 119.4° |
| C7 | C8 | H3 | 120.6° | 120.2° |
| C8 | C3 | C2 | 123.7° | 119.8° |
| C8 | C3 | C4 | 120.3° | 120.5° |
| C3 | C8 | H3 | 120.6° | 120.3° |
| C7 | C6 | N2 | 120.5° | 119.5° |
| C7 | C6 | C5 | 119.1° | 119.6° |
| C | N | C1 | 115.4° | 120.0° |
| C | N | C2 | 109.7° | 120.0° |
| N | C | H8 | 109.5° | 109.5° |
| N | C | H9 | 109.5° | 109.5° |
| N | C | H10 | 109.5° | 109.5° |
| C1 | N | C2 | 134.7° | 120.0° |
| N | C1 | H5 | 109.5° | 109.4° |
| N | C1 | H6 | 109.5° | 109.5° |
| N | C1 | H7 | 109.5° | 109.5° |
| N | C2 | C3 | 120.3° | 120.0° |
| N | C2 | O | 117.8° | 120.0° |
| C3 | C2 | O | 121.3° | 120.0° |
| C2 | C3 | C4 | 114.1° | 119.7° |
| C3 | C4 | C5 | 120.4° | 120.8° |
| C3 | C4 | H1 | 119.8° | 119.6° |
| C10 | N2 | C6 | 118.5° | 119.8° |
| N2 | C10 | H4 | 119.3° | 119.6° |
| N2 | C6 | C5 | 120.4° | 120.9° |
| C6 | C5 | C4 | 121.4° | 120.1° |
| C6 | C5 | H2 | 119.3° | 119.9° |
| C5 | C4 | H1 | 119.8° | 119.6° |
| C4 | C5 | H2 | 119.3° | 120.0° |
| H5 | C1 | H6 | 109.4° | 109.5° |
| H5 | C1 | H7 | 109.4° | 109.5° |
| H6 | C1 | H7 | 109.5° | 109.5° |
| H8 | C | H9 | 109.4° | 109.5° |
| H8 | C | H10 | 109.5° | 109.4° |
| H9 | C | H10 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N1 | C9 | C10 | H11 | 180.0° | 179.9° |
| C9 | N1 | C7 | C8 | 178.7° | 180.0° |
| C9 | N1 | C7 | C6 | 3.3° | 0.1° |
| N1 | C9 | C10 | N2 | 6.4° | 0.0° |
| N1 | C9 | C10 | H4 | 173.6° | 179.9° |
| C7 | N1 | C9 | C10 | 1.6° | 0.1° |
| N1 | C7 | C8 | C6 | 178.1° | 179.9° |
| N1 | C7 | C8 | C3 | 178.4° | 179.9° |
| N1 | C7 | C6 | N2 | 3.9° | 0.1° |
| N1 | C7 | C6 | C5 | 178.9° | 180.0° |
| N1 | C7 | C8 | H3 | 1.6° | 0.0° |
| C7 | N1 | C9 | H11 | 178.4° | 180.0° |
| C9 | C10 | N2 | H4 | 180.0° | 180.0° |
| C9 | C10 | N2 | C6 | 5.7° | 0.0° |
| C7 | C8 | C3 | H3 | 180.0° | 180.0° |
| C7 | C8 | C3 | C2 | 169.2° | 180.0° |
| C7 | C8 | C3 | C4 | 6.3° | 0.0° |
| C8 | C7 | C6 | N2 | 178.0° | 180.0° |
| C8 | C7 | C6 | C5 | 0.8° | 0.1° |
| C3 | C8 | C7 | C6 | 3.6° | 0.0° |
| C8 | C3 | C2 | N | 35.0° | 50.5° |
| C8 | C3 | C2 | C4 | 163.8° | 180.0° |
| C8 | C3 | C2 | O | 154.3° | 129.5° |
| C8 | C3 | C4 | C5 | 6.5° | 0.0° |
| C8 | C3 | C4 | H1 | 173.5° | 180.0° |
| C7 | C6 | N2 | C10 | 0.7° | 0.1° |
| C7 | C6 | N2 | C5 | 177.2° | 179.9° |
| C7 | C6 | C5 | C4 | 0.9° | 0.1° |
| C7 | C6 | C5 | H2 | 179.1° | 180.0° |
| C6 | C7 | C8 | H3 | 176.4° | 179.9° |
| C | N | C1 | C2 | 174.6° | 179.9° |
| C | N | C2 | C3 | 173.9° | 3.2° |
| C | N | C2 | O | 15.0° | 176.8° |
| C | N | C1 | H5 | 180.0° | 90.1° |
| C | N | C1 | H6 | 60.0° | 29.9° |
| C | N | C1 | H7 | 60.0° | 150.0° |
| N | C | H8 | H9 | 120.0° | 120.0° |
| N | C | H8 | H10 | 120.0° | 120.0° |
| N | C | H9 | H10 | 120.0° | 120.0° |
| C1 | N | C2 | C3 | 11.3° | 176.9° |
| C1 | N | C2 | O | 159.8° | 3.1° |
| N | C1 | H5 | H6 | 120.0° | 120.0° |
| N | C1 | H5 | H7 | 120.0° | 120.0° |
| N | C1 | H6 | H7 | 120.0° | 120.1° |
| C1 | N | C | H8 | 180.0° | 178.7° |
| C1 | N | C | H9 | 60.0° | 61.2° |
| C1 | N | C | H10 | 60.0° | 58.8° |
| N | C2 | C3 | O | 170.8° | 180.0° |
| N | C2 | C3 | C4 | 128.8° | 129.4° |
| C2 | N | C1 | H5 | 5.4° | 90.0° |
| C2 | N | C1 | H6 | 125.4° | 150.0° |
| C2 | N | C1 | H7 | 114.6° | 29.9° |
| C2 | N | C | H8 | 4.1° | 1.4° |
| C2 | N | C | H9 | 115.9° | 118.7° |
| C2 | N | C | H10 | 124.1° | 121.3° |
| C2 | C3 | C4 | C5 | 170.9° | 180.0° |
| C2 | C3 | C4 | H1 | 9.1° | 0.0° |
| C2 | C3 | C8 | H3 | 10.8° | 0.0° |
| O | C2 | C3 | C4 | 41.9° | 50.6° |
| C3 | C4 | C5 | C6 | 3.7° | 0.1° |
| C3 | C4 | C5 | H1 | 180.0° | 179.9° |
| C3 | C4 | C5 | H2 | 176.3° | 180.0° |
| C4 | C3 | C8 | H3 | 173.7° | 180.0° |
| C10 | N2 | C6 | C5 | 176.5° | 180.0° |
| N2 | C10 | C9 | H11 | 173.6° | 179.9° |
| N2 | C6 | C5 | C4 | 178.1° | 180.0° |
| N2 | C6 | C5 | H2 | 1.9° | 0.1° |
| C6 | N2 | C10 | H4 | 174.3° | 180.0° |
| C6 | C5 | C4 | H2 | 180.0° | 179.9° |
| C6 | C5 | C4 | H1 | 176.3° | 180.0° |
| H1 | C4 | C5 | H2 | 3.7° | 0.1° |
| H4 | C10 | C9 | H11 | 6.4° | 0.0° |
| H5 | C1 | H6 | H7 | 120.0° | 120.0° |
| H8 | C | H9 | H10 | 120.0° | 119.9° |
