R5C
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O4 | N1 | sing | 1.22Å | 1.24Å | |
| N1 | O3 | doub | 1.22Å | 1.23Å | |
| N1 | C8 | sing | 1.48Å | 1.48Å | |
| C8 | C7 | doub | 1.38Å | 1.38Å | Aromatic |
| C8 | C9 | sing | 1.38Å | 1.38Å | Aromatic |
| C7 | C6 | sing | 1.38Å | 1.39Å | Aromatic |
| C9 | C10 | doub | 1.38Å | 1.39Å | Aromatic |
| C6 | C5 | doub | 1.39Å | 1.39Å | Aromatic |
| C10 | C5 | sing | 1.39Å | 1.39Å | Aromatic |
| C5 | O2 | sing | 1.36Å | 1.41Å | |
| O2 | C4 | sing | 1.34Å | 1.39Å | |
| C4 | O1 | doub | 1.21Å | 1.20Å | |
| C4 | C3 | sing | 1.51Å | 1.50Å | |
| C3 | C2 | sing | 1.53Å | 1.52Å | |
| C2 | C1 | sing | 1.53Å | 1.49Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C2 | H5 | sing | 1.09Å | 1.10Å | |
| C2 | H4 | sing | 1.09Å | 1.10Å | |
| C3 | H7 | sing | 1.09Å | 1.10Å | |
| C3 | H6 | sing | 1.09Å | 1.10Å | |
| C6 | H8 | sing | 1.08Å | 1.08Å | |
| C7 | H9 | sing | 1.08Å | 1.08Å | |
| C9 | H10 | sing | 1.08Å | 1.08Å | |
| C10 | H11 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O4 | N1 | O3 | 123.2° | 120.0° |
| O4 | N1 | C8 | 118.4° | 120.0° |
| O3 | N1 | C8 | 118.4° | 120.0° |
| N1 | C8 | C7 | 120.1° | 120.0° |
| N1 | C8 | C9 | 118.7° | 119.9° |
| C7 | C8 | C9 | 121.2° | 120.1° |
| C8 | C7 | C6 | 119.1° | 120.1° |
| C8 | C7 | H9 | 120.4° | 119.9° |
| C8 | C9 | C10 | 119.2° | 120.1° |
| C8 | C9 | H10 | 120.4° | 120.0° |
| C7 | C6 | C5 | 120.3° | 120.0° |
| C7 | C6 | H8 | 119.8° | 120.1° |
| C6 | C7 | H9 | 120.4° | 120.0° |
| C9 | C10 | C5 | 120.5° | 120.0° |
| C10 | C9 | H10 | 120.4° | 120.0° |
| C9 | C10 | H11 | 119.8° | 120.0° |
| C6 | C5 | C10 | 119.6° | 119.8° |
| C6 | C5 | O2 | 121.4° | 120.1° |
| C5 | C6 | H8 | 119.8° | 120.0° |
| C10 | C5 | O2 | 119.0° | 120.0° |
| C5 | C10 | H11 | 119.8° | 120.0° |
| C5 | O2 | C4 | 120.1° | 117.0° |
| O2 | C4 | O1 | 122.7° | 120.0° |
| O2 | C4 | C3 | 110.3° | 120.0° |
| O1 | C4 | C3 | 127.1° | 119.9° |
| C4 | C3 | C2 | 113.9° | 109.5° |
| C4 | C3 | H7 | 108.4° | 109.4° |
| C4 | C3 | H6 | 108.4° | 109.5° |
| C3 | C2 | C1 | 114.3° | 109.5° |
| C3 | C2 | H5 | 108.2° | 109.5° |
| C3 | C2 | H4 | 108.2° | 109.5° |
| C2 | C3 | H7 | 108.3° | 109.4° |
| C2 | C3 | H6 | 108.4° | 109.5° |
| C2 | C1 | H1 | 109.5° | 109.5° |
| C2 | C1 | H2 | 109.5° | 109.5° |
| C2 | C1 | H3 | 109.5° | 109.5° |
| C1 | C2 | H5 | 108.3° | 109.4° |
| C1 | C2 | H4 | 108.3° | 109.5° |
| H1 | C1 | H2 | 109.4° | 109.4° |
| H1 | C1 | H3 | 109.5° | 109.5° |
| H2 | C1 | H3 | 109.5° | 109.5° |
| H5 | C2 | H4 | 109.5° | 109.5° |
| H7 | C3 | H6 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O4 | N1 | O3 | C8 | 178.3° | 180.0° |
| O4 | N1 | C8 | C7 | 0.7° | 180.0° |
| O4 | N1 | C8 | C9 | 179.5° | 0.1° |
| O3 | N1 | C8 | C7 | 177.7° | 0.0° |
| O3 | N1 | C8 | C9 | 1.2° | 180.0° |
| N1 | C8 | C7 | C9 | 178.8° | 180.0° |
| N1 | C8 | C7 | C6 | 178.9° | 180.0° |
| N1 | C8 | C9 | C10 | 178.8° | 179.7° |
| N1 | C8 | C7 | H9 | 1.1° | 0.0° |
| N1 | C8 | C9 | H10 | 1.2° | 0.1° |
| C8 | C7 | C6 | H9 | 180.0° | 179.9° |
| C7 | C8 | C9 | C10 | 0.1° | 0.3° |
| C8 | C7 | C6 | C5 | 0.3° | 0.0° |
| C8 | C7 | C6 | H8 | 179.6° | 180.0° |
| C7 | C8 | C9 | H10 | 179.9° | 180.0° |
| C9 | C8 | C7 | C6 | 0.1° | 0.0° |
| C8 | C9 | C10 | H10 | 180.0° | 179.8° |
| C8 | C9 | C10 | C5 | 0.0° | 0.5° |
| C9 | C8 | C7 | H9 | 179.9° | 179.9° |
| C8 | C9 | C10 | H11 | 180.0° | 180.0° |
| C7 | C6 | C5 | H8 | 180.0° | 180.0° |
| C7 | C6 | C5 | C10 | 0.4° | 0.2° |
| C7 | C6 | C5 | O2 | 179.6° | 180.0° |
| C9 | C10 | C5 | C6 | 0.3° | 0.5° |
| C9 | C10 | C5 | H11 | 180.0° | 179.4° |
| C9 | C10 | C5 | O2 | 179.4° | 179.7° |
| C6 | C5 | C10 | O2 | 179.1° | 179.7° |
| C6 | C5 | O2 | C4 | 127.3° | 77.0° |
| C5 | C6 | C7 | H9 | 179.6° | 179.9° |
| C6 | C5 | C10 | H11 | 179.7° | 179.9° |
| C10 | C5 | O2 | C4 | 53.6° | 103.2° |
| C10 | C5 | C6 | H8 | 179.5° | 179.8° |
| C5 | C10 | C9 | H10 | 180.0° | 179.7° |
| C5 | O2 | C4 | O1 | 6.4° | 4.9° |
| C5 | O2 | C4 | C3 | 173.3° | 175.1° |
| O2 | C5 | C6 | H8 | 0.4° | 0.0° |
| O2 | C5 | C10 | H11 | 0.6° | 0.3° |
| O2 | C4 | O1 | C3 | 179.7° | 180.0° |
| O2 | C4 | C3 | C2 | 159.7° | 180.0° |
| O2 | C4 | C3 | H7 | 79.7° | 60.0° |
| O2 | C4 | C3 | H6 | 39.0° | 59.9° |
| O1 | C4 | C3 | C2 | 20.6° | 0.0° |
| O1 | C4 | C3 | H7 | 100.0° | 120.0° |
| O1 | C4 | C3 | H6 | 141.3° | 120.1° |
| C4 | C3 | C2 | H7 | 120.6° | 120.0° |
| C4 | C3 | C2 | H6 | 120.7° | 120.1° |
| C4 | C3 | C2 | C1 | 174.9° | 180.0° |
| C4 | C3 | C2 | H5 | 54.1° | 60.1° |
| C4 | C3 | C2 | H4 | 64.4° | 60.0° |
| C4 | C3 | H7 | H6 | 118.0° | 120.0° |
| C3 | C2 | C1 | H5 | 120.7° | 120.0° |
| C3 | C2 | C1 | H4 | 120.7° | 120.0° |
| C3 | C2 | C1 | H1 | 180.0° | 59.9° |
| C3 | C2 | C1 | H2 | 60.0° | 60.0° |
| C3 | C2 | C1 | H3 | 60.0° | 180.0° |
| C3 | C2 | H5 | H4 | 117.8° | 120.0° |
| C2 | C3 | H7 | H6 | 118.0° | 120.0° |
| C2 | C1 | H1 | H2 | 120.0° | 120.0° |
| C2 | C1 | H1 | H3 | 120.0° | 120.1° |
| C2 | C1 | H2 | H3 | 120.0° | 120.1° |
| C1 | C2 | H5 | H4 | 117.8° | 120.0° |
| C1 | C2 | C3 | H7 | 64.5° | 60.0° |
| C1 | C2 | C3 | H6 | 54.2° | 59.9° |
| H1 | C1 | H2 | H3 | 120.0° | 120.0° |
| H1 | C1 | C2 | H5 | 59.3° | 60.1° |
| H1 | C1 | C2 | H4 | 59.3° | 179.9° |
| H2 | C1 | C2 | H5 | 179.3° | 180.0° |
| H2 | C1 | C2 | H4 | 60.7° | 60.0° |
| H3 | C1 | C2 | H5 | 60.7° | 60.0° |
| H3 | C1 | C2 | H4 | 179.3° | 60.0° |
| H5 | C2 | C3 | H7 | 174.8° | 180.0° |
| H5 | C2 | C3 | H6 | 66.5° | 60.0° |
| H4 | C2 | C3 | H7 | 56.2° | 60.0° |
| H4 | C2 | C3 | H6 | 174.9° | 180.0° |
| H8 | C6 | C7 | H9 | 0.4° | 0.1° |
| H10 | C9 | C10 | H11 | 0.0° | 0.3° |
