0RB
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C10 | N7 | sing | 1.34Å | 1.35Å | Aromatic |
| C10 | C9 | doub | 1.35Å | 1.39Å | Aromatic |
| N7 | N8 | doub | 1.29Å | 1.40Å | Aromatic |
| C9 | C8 | sing | 1.51Å | 1.50Å | |
| C9 | N9 | sing | 1.35Å | 1.37Å | Aromatic |
| N8 | N9 | sing | 1.29Å | 1.40Å | Aromatic |
| C8 | N6 | sing | 1.47Å | 1.44Å | |
| N6 | C7 | sing | 1.35Å | 1.34Å | |
| C6 | N5 | doub | 1.32Å | 1.35Å | Aromatic |
| C6 | C5 | sing | 1.40Å | 1.41Å | Aromatic |
| N5 | C3 | sing | 1.33Å | 1.36Å | Aromatic |
| O1 | C2 | doub | 1.22Å | 1.25Å | |
| C7 | C5 | sing | 1.48Å | 1.49Å | |
| C7 | O2 | doub | 1.21Å | 1.22Å | |
| C5 | N4 | doub | 1.33Å | 1.34Å | Aromatic |
| C3 | C2 | sing | 1.48Å | 1.45Å | |
| C3 | C4 | doub | 1.41Å | 1.46Å | Aromatic |
| C2 | N2 | sing | 1.34Å | 1.34Å | |
| N4 | C4 | sing | 1.32Å | 1.34Å | Aromatic |
| C4 | N3 | sing | 1.38Å | 1.34Å | |
| N2 | C1 | doub | 1.32Å | 1.33Å | |
| N3 | C1 | sing | 1.36Å | 1.33Å | |
| C1 | N1 | sing | 1.37Å | 1.37Å | |
| C6 | H1 | sing | 1.08Å | 1.08Å | |
| N3 | H2 | sing | 0.97Å | 1.00Å | |
| N1 | H3 | sing | 0.97Å | 1.00Å | |
| N1 | H4 | sing | 0.97Å | 1.00Å | |
| N6 | H5 | sing | 0.97Å | 1.00Å | |
| C8 | H6 | sing | 1.09Å | 1.10Å | |
| C8 | H7 | sing | 1.09Å | 1.10Å | |
| N9 | H8 | sing | 0.97Å | 1.00Å | |
| C10 | H9 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N7 | C10 | C9 | 108.4° | 106.5° |
| C10 | N7 | N8 | 108.7° | 108.9° |
| N7 | C10 | H9 | 125.8° | 126.7° |
| C10 | C9 | C8 | 124.0° | 126.9° |
| C10 | C9 | N9 | 108.3° | 106.2° |
| C9 | C10 | H9 | 125.9° | 126.8° |
| N7 | N8 | N9 | 106.7° | 110.2° |
| C8 | C9 | N9 | 127.6° | 126.9° |
| C9 | C8 | N6 | 113.6° | 109.5° |
| C9 | C8 | H6 | 108.4° | 109.4° |
| C9 | C8 | H7 | 108.4° | 109.5° |
| C9 | N9 | N8 | 107.9° | 108.3° |
| C9 | N9 | H8 | 126.1° | 125.9° |
| N8 | N9 | H8 | 126.0° | 125.8° |
| C8 | N6 | C7 | 125.7° | 120.0° |
| C8 | N6 | H5 | 117.2° | 120.0° |
| N6 | C8 | H6 | 108.5° | 109.5° |
| N6 | C8 | H7 | 108.5° | 109.5° |
| N6 | C7 | C5 | 115.4° | 120.0° |
| N6 | C7 | O2 | 123.6° | 120.0° |
| C7 | N6 | H5 | 117.1° | 120.0° |
| N5 | C6 | C5 | 119.0° | 120.3° |
| C6 | N5 | C3 | 118.2° | 119.7° |
| N5 | C6 | H1 | 120.4° | 119.8° |
| C6 | C5 | C7 | 120.7° | 119.8° |
| C6 | C5 | N4 | 122.2° | 120.4° |
| C5 | C6 | H1 | 120.5° | 119.9° |
| N5 | C3 | C2 | 122.6° | 121.7° |
| N5 | C3 | C4 | 122.9° | 120.3° |
| O1 | C2 | C3 | 119.6° | 120.9° |
| O1 | C2 | N2 | 122.3° | 120.8° |
| C5 | C7 | O2 | 120.1° | 120.0° |
| C7 | C5 | N4 | 117.0° | 119.8° |
| C5 | N4 | C4 | 121.9° | 119.5° |
| C2 | C3 | C4 | 114.3° | 118.0° |
| C3 | C2 | N2 | 118.1° | 118.4° |
| C3 | C4 | N4 | 115.6° | 119.9° |
| C3 | C4 | N3 | 121.3° | 118.5° |
| C2 | N2 | C1 | 125.5° | 121.7° |
| N4 | C4 | N3 | 123.0° | 121.7° |
| C4 | N3 | C1 | 121.1° | 120.4° |
| C4 | N3 | H2 | 119.5° | 119.8° |
| N2 | C1 | N3 | 119.6° | 123.1° |
| N2 | C1 | N1 | 117.8° | 118.4° |
| N3 | C1 | N1 | 122.6° | 118.5° |
| C1 | N3 | H2 | 119.5° | 119.8° |
| C1 | N1 | H3 | 120.0° | 120.0° |
| C1 | N1 | H4 | 120.0° | 120.0° |
| H3 | N1 | H4 | 120.0° | 120.0° |
| H6 | C8 | H7 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N7 | C10 | C9 | H9 | 180.0° | 179.6° |
| N7 | C10 | C9 | C8 | 178.1° | 179.9° |
| N7 | C10 | C9 | N9 | 0.5° | 0.4° |
| C10 | N7 | N8 | N9 | 0.6° | 0.3° |
| C9 | C10 | N7 | N8 | 0.0° | 0.4° |
| C10 | C9 | C8 | N9 | 177.1° | 179.6° |
| C10 | C9 | N9 | N8 | 0.9° | 0.2° |
| C10 | C9 | C8 | N6 | 175.3° | 95.4° |
| C10 | C9 | C8 | H6 | 64.1° | 144.7° |
| C10 | C9 | C8 | H7 | 54.7° | 24.7° |
| C10 | C9 | N9 | H8 | 179.1° | 179.7° |
| N7 | N8 | N9 | C9 | 0.9° | 0.0° |
| N7 | N8 | N9 | H8 | 179.1° | 180.0° |
| N8 | N7 | C10 | H9 | 180.0° | 180.0° |
| C8 | C9 | N9 | N8 | 178.3° | 179.9° |
| C9 | C8 | N6 | H6 | 120.6° | 120.0° |
| C9 | C8 | N6 | H7 | 120.6° | 120.0° |
| C9 | C8 | N6 | C7 | 63.8° | 180.0° |
| C9 | C8 | N6 | H5 | 116.2° | 0.0° |
| C9 | C8 | H6 | H7 | 118.1° | 120.0° |
| C8 | C9 | N9 | H8 | 1.7° | 0.0° |
| C8 | C9 | C10 | H9 | 1.9° | 0.3° |
| C9 | N9 | N8 | H8 | 180.0° | 180.0° |
| N9 | C9 | C8 | N6 | 1.8° | 85.0° |
| N9 | C9 | C8 | H6 | 118.8° | 35.0° |
| N9 | C9 | C8 | H7 | 122.4° | 155.0° |
| N9 | C9 | C10 | H9 | 179.5° | 180.0° |
| C8 | N6 | C7 | H5 | 180.0° | 180.0° |
| C8 | N6 | C7 | C5 | 163.9° | 180.0° |
| C8 | N6 | C7 | O2 | 4.9° | 0.0° |
| N6 | C8 | H6 | H7 | 118.2° | 120.0° |
| N6 | C7 | C5 | C6 | 11.6° | 179.8° |
| N6 | C7 | C5 | O2 | 169.1° | 180.0° |
| N6 | C7 | C5 | N4 | 166.0° | 0.1° |
| C7 | N6 | C8 | H6 | 175.5° | 60.0° |
| C7 | N6 | C8 | H7 | 56.7° | 60.0° |
| N5 | C6 | C5 | H1 | 180.0° | 179.9° |
| N5 | C6 | C5 | C7 | 176.5° | 180.0° |
| N5 | C6 | C5 | N4 | 1.0° | 0.1° |
| C6 | N5 | C3 | C2 | 177.0° | 180.0° |
| C6 | N5 | C3 | C4 | 1.7° | 0.3° |
| C5 | C6 | N5 | C3 | 0.5° | 0.1° |
| C6 | C5 | C7 | N4 | 177.6° | 179.9° |
| C6 | C5 | C7 | O2 | 179.3° | 0.2° |
| C6 | C5 | N4 | C4 | 2.7° | 0.2° |
| N5 | C3 | C2 | O1 | 2.2° | 0.0° |
| N5 | C3 | C2 | C4 | 175.7° | 179.7° |
| N5 | C3 | C2 | N2 | 177.9° | 180.0° |
| N5 | C3 | C4 | N4 | 3.2° | 0.3° |
| N5 | C3 | C4 | N3 | 179.4° | 179.9° |
| C3 | N5 | C6 | H1 | 179.5° | 179.9° |
| O1 | C2 | C3 | N2 | 179.8° | 180.0° |
| O1 | C2 | C3 | C4 | 177.9° | 179.7° |
| O1 | C2 | N2 | C1 | 179.6° | 180.0° |
| C7 | C5 | N4 | C4 | 174.8° | 180.0° |
| C7 | C5 | C6 | H1 | 3.5° | 0.1° |
| C5 | C7 | N6 | H5 | 16.1° | 0.1° |
| O2 | C7 | C5 | N4 | 3.2° | 179.9° |
| O2 | C7 | N6 | H5 | 175.2° | 179.9° |
| C5 | N4 | C4 | C3 | 3.6° | 0.0° |
| C5 | N4 | C4 | N3 | 179.7° | 179.8° |
| N4 | C5 | C6 | H1 | 179.0° | 179.8° |
| C2 | C3 | C4 | N4 | 178.9° | 180.0° |
| C2 | C3 | C4 | N3 | 4.9° | 0.2° |
| C3 | C2 | N2 | C1 | 0.2° | 0.0° |
| C4 | C3 | C2 | N2 | 2.3° | 0.3° |
| C3 | C4 | N4 | N3 | 176.1° | 179.8° |
| C3 | C4 | N3 | C1 | 5.1° | 0.0° |
| C3 | C4 | N3 | H2 | 174.9° | 180.0° |
| C2 | N2 | C1 | N3 | 0.3° | 0.3° |
| C2 | N2 | C1 | N1 | 179.9° | 180.0° |
| N4 | C4 | N3 | C1 | 179.0° | 179.8° |
| N4 | C4 | N3 | H2 | 1.0° | 0.3° |
| C4 | N3 | C1 | N2 | 2.4° | 0.3° |
| C4 | N3 | C1 | H2 | 180.0° | 180.0° |
| C4 | N3 | C1 | N1 | 177.4° | 180.0° |
| N2 | C1 | N3 | N1 | 179.8° | 179.7° |
| N2 | C1 | N3 | H2 | 177.6° | 179.7° |
| N2 | C1 | N1 | H3 | 0.0° | 0.0° |
| N2 | C1 | N1 | H4 | 180.0° | 180.0° |
| N3 | C1 | N1 | H3 | 179.8° | 179.7° |
| N3 | C1 | N1 | H4 | 0.2° | 0.2° |
| N1 | C1 | N3 | H2 | 2.6° | 0.0° |
| C1 | N1 | H3 | H4 | 180.0° | 179.9° |
| H5 | N6 | C8 | H6 | 4.5° | 119.9° |
| H5 | N6 | C8 | H7 | 123.3° | 120.0° |
