RJ5
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C10 | sing | 1.39Å | 1.36Å | |
| N2 | C10 | doub | 1.32Å | 1.37Å | Aromatic |
| N2 | C11 | sing | 1.32Å | 1.34Å | Aromatic |
| C10 | C9 | sing | 1.39Å | 1.41Å | Aromatic |
| C11 | C12 | doub | 1.38Å | 1.38Å | Aromatic |
| C9 | C8 | doub | 1.39Å | 1.40Å | Aromatic |
| C12 | C8 | sing | 1.40Å | 1.38Å | Aromatic |
| C8 | C5 | sing | 1.48Å | 1.49Å | |
| C5 | C6 | doub | 1.39Å | 1.40Å | Aromatic |
| C5 | C4 | sing | 1.39Å | 1.40Å | Aromatic |
| C6 | C7 | sing | 1.38Å | 1.38Å | Aromatic |
| C4 | C3 | doub | 1.38Å | 1.39Å | Aromatic |
| C7 | C2 | doub | 1.39Å | 1.39Å | Aromatic |
| C3 | C2 | sing | 1.39Å | 1.39Å | Aromatic |
| C2 | O1 | sing | 1.36Å | 1.36Å | |
| O1 | C1 | sing | 1.43Å | 1.43Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C3 | H4 | sing | 1.08Å | 1.08Å | |
| C4 | H5 | sing | 1.08Å | 1.08Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C7 | H7 | sing | 1.08Å | 1.08Å | |
| C9 | H8 | sing | 1.08Å | 1.08Å | |
| N1 | H9 | sing | 0.97Å | 1.00Å | |
| N1 | H10 | sing | 0.97Å | 1.00Å | |
| 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) |
| N1 | C10 | N2 | 117.6° | 119.7° |
| N1 | C10 | C9 | 121.2° | 119.6° |
| C10 | N1 | H9 | 109.5° | 120.1° |
| C10 | N1 | H10 | 109.5° | 120.0° |
| C10 | N2 | C11 | 118.1° | 121.9° |
| N2 | C10 | C9 | 121.2° | 120.7° |
| N2 | C11 | C12 | 123.1° | 121.0° |
| N2 | C11 | H11 | 118.4° | 119.5° |
| C10 | C9 | C8 | 119.6° | 118.9° |
| C10 | C9 | H8 | 120.2° | 120.6° |
| C11 | C12 | C8 | 120.0° | 119.2° |
| C12 | C11 | H11 | 118.4° | 119.5° |
| C11 | C12 | H12 | 120.0° | 120.5° |
| C9 | C8 | C12 | 117.9° | 118.3° |
| C9 | C8 | C5 | 120.7° | 120.9° |
| C8 | C9 | H8 | 120.2° | 120.5° |
| C12 | C8 | C5 | 121.4° | 120.9° |
| C8 | C12 | H12 | 120.0° | 120.4° |
| C8 | C5 | C6 | 121.6° | 120.1° |
| C8 | C5 | C4 | 121.1° | 120.0° |
| C6 | C5 | C4 | 117.4° | 119.9° |
| C5 | C6 | C7 | 121.5° | 119.9° |
| C5 | C6 | H6 | 119.3° | 120.1° |
| C5 | C4 | C3 | 122.0° | 119.9° |
| C5 | C4 | H5 | 119.0° | 120.0° |
| C6 | C7 | C2 | 119.7° | 120.1° |
| C7 | C6 | H6 | 119.2° | 120.0° |
| C6 | C7 | H7 | 120.1° | 120.0° |
| C4 | C3 | C2 | 119.2° | 120.1° |
| C4 | C3 | H4 | 120.4° | 120.0° |
| C3 | C4 | H5 | 119.0° | 120.0° |
| C7 | C2 | C3 | 120.3° | 120.1° |
| C7 | C2 | O1 | 118.7° | 120.0° |
| C2 | C7 | H7 | 120.2° | 119.9° |
| C3 | C2 | O1 | 121.0° | 119.9° |
| C2 | C3 | H4 | 120.4° | 119.9° |
| C2 | O1 | C1 | 116.2° | 117.0° |
| O1 | C1 | H1 | 109.5° | 109.5° |
| O1 | C1 | H2 | 109.5° | 109.5° |
| O1 | C1 | H3 | 109.5° | 109.5° |
| H1 | C1 | H2 | 109.4° | 109.4° |
| H1 | C1 | H3 | 109.5° | 109.5° |
| H2 | C1 | H3 | 109.5° | 109.5° |
| H9 | N1 | H10 | 109.4° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N1 | C10 | N2 | C9 | 178.4° | 180.0° |
| N1 | C10 | N2 | C11 | 179.2° | 180.0° |
| N1 | C10 | C9 | C8 | 179.4° | 180.0° |
| N1 | C10 | C9 | H8 | 0.6° | 0.0° |
| C10 | N1 | H9 | H10 | 120.0° | 179.9° |
| C10 | N2 | C11 | C12 | 0.1° | 0.2° |
| N2 | C10 | C9 | C8 | 1.0° | 0.0° |
| N2 | C10 | C9 | H8 | 179.0° | 180.0° |
| N2 | C10 | N1 | H9 | 0.0° | 179.9° |
| N2 | C10 | N1 | H10 | 120.0° | 0.1° |
| C10 | N2 | C11 | H11 | 179.9° | 180.0° |
| C11 | N2 | C10 | C9 | 0.8° | 0.0° |
| N2 | C11 | C12 | H11 | 180.0° | 179.8° |
| N2 | C11 | C12 | C8 | 0.9° | 0.4° |
| N2 | C11 | C12 | H12 | 179.1° | 179.9° |
| C10 | C9 | C8 | H8 | 180.0° | 179.9° |
| C10 | C9 | C8 | C12 | 0.3° | 0.3° |
| C10 | C9 | C8 | C5 | 178.8° | 180.0° |
| C9 | C10 | N1 | H9 | 178.4° | 0.1° |
| C9 | C10 | N1 | H10 | 61.6° | 179.9° |
| C11 | C12 | C8 | C9 | 0.6° | 0.5° |
| C11 | C12 | C8 | H12 | 180.0° | 179.5° |
| C11 | C12 | C8 | C5 | 179.7° | 179.8° |
| C9 | C8 | C12 | C5 | 179.1° | 179.7° |
| C9 | C8 | C5 | C6 | 0.7° | 180.0° |
| C9 | C8 | C5 | C4 | 178.7° | 0.3° |
| C9 | C8 | C12 | H12 | 179.4° | 180.0° |
| C12 | C8 | C5 | C6 | 179.8° | 0.3° |
| C12 | C8 | C5 | C4 | 0.4° | 180.0° |
| C12 | C8 | C9 | H8 | 179.7° | 179.8° |
| C8 | C12 | C11 | H11 | 179.2° | 179.7° |
| C8 | C5 | C6 | C4 | 179.4° | 179.7° |
| C8 | C5 | C6 | C7 | 179.7° | 180.0° |
| C8 | C5 | C4 | C3 | 179.9° | 179.8° |
| C8 | C5 | C4 | H5 | 0.1° | 0.3° |
| C8 | C5 | C6 | H6 | 0.2° | 0.2° |
| C5 | C8 | C9 | H8 | 1.1° | 0.1° |
| C5 | C8 | C12 | H12 | 0.2° | 0.3° |
| C5 | C6 | C7 | H6 | 180.0° | 179.7° |
| C6 | C5 | C4 | C3 | 0.7° | 0.0° |
| C5 | C6 | C7 | C2 | 0.7° | 0.5° |
| C6 | C5 | C4 | H5 | 179.2° | 180.0° |
| C5 | C6 | C7 | H7 | 179.3° | 180.0° |
| C4 | C5 | C6 | C7 | 0.9° | 0.3° |
| C5 | C4 | C3 | H5 | 180.0° | 179.9° |
| C5 | C4 | C3 | C2 | 0.5° | 0.0° |
| C5 | C4 | C3 | H4 | 179.5° | 180.0° |
| C4 | C5 | C6 | H6 | 179.1° | 180.0° |
| C6 | C7 | C2 | H7 | 180.0° | 179.5° |
| C6 | C7 | C2 | C3 | 0.4° | 0.5° |
| C6 | C7 | C2 | O1 | 179.6° | 179.7° |
| C4 | C3 | C2 | C7 | 0.3° | 0.3° |
| C4 | C3 | C2 | H4 | 180.0° | 180.0° |
| C4 | C3 | C2 | O1 | 179.8° | 179.9° |
| C7 | C2 | C3 | O1 | 179.9° | 179.8° |
| C7 | C2 | O1 | C1 | 8.8° | 0.2° |
| C7 | C2 | C3 | H4 | 179.7° | 179.7° |
| C2 | C7 | C6 | H6 | 179.3° | 179.7° |
| C3 | C2 | O1 | C1 | 171.1° | 180.0° |
| C2 | C3 | C4 | H5 | 179.5° | 180.0° |
| C3 | C2 | C7 | H7 | 179.6° | 180.0° |
| C2 | O1 | C1 | H1 | 180.0° | 60.0° |
| C2 | O1 | C1 | H2 | 60.0° | 180.0° |
| C2 | O1 | C1 | H3 | 60.0° | 60.0° |
| O1 | C2 | C3 | H4 | 0.2° | 0.0° |
| O1 | C2 | C7 | H7 | 0.3° | 0.2° |
| O1 | C1 | H1 | H2 | 120.0° | 120.0° |
| O1 | C1 | H1 | H3 | 120.0° | 120.0° |
| O1 | C1 | H2 | H3 | 120.0° | 120.0° |
| H1 | C1 | H2 | H3 | 120.0° | 120.0° |
| H4 | C3 | C4 | H5 | 0.5° | 0.0° |
| H6 | C6 | C7 | H7 | 0.7° | 0.2° |
| H11 | C11 | C12 | H12 | 0.9° | 0.2° |
