8RA
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C9 | C8 | doub | 1.38Å | 1.38Å | Aromatic |
| C9 | C10 | sing | 1.39Å | 1.38Å | Aromatic |
| C8 | C7 | sing | 1.39Å | 1.40Å | Aromatic |
| C10 | C11 | doub | 1.38Å | 1.38Å | Aromatic |
| C4 | N2 | sing | 1.47Å | 1.46Å | |
| C4 | C3 | sing | 1.53Å | 1.51Å | |
| C7 | N2 | sing | 1.39Å | 1.38Å | |
| C7 | N3 | doub | 1.32Å | 1.34Å | Aromatic |
| C11 | N3 | sing | 1.32Å | 1.34Å | Aromatic |
| N2 | C5 | sing | 1.47Å | 1.46Å | |
| C3 | N1 | sing | 1.47Å | 1.47Å | |
| C5 | C6 | sing | 1.53Å | 1.51Å | |
| C1 | C2 | sing | 1.51Å | 1.50Å | |
| N1 | C2 | sing | 1.35Å | 1.35Å | |
| N1 | C6 | sing | 1.47Å | 1.47Å | |
| C2 | O1 | doub | 1.21Å | 1.22Å | |
| C4 | H1 | sing | 1.09Å | 1.10Å | |
| C4 | H2 | sing | 1.09Å | 1.10Å | |
| C5 | H3 | sing | 1.09Å | 1.10Å | |
| C5 | H4 | sing | 1.09Å | 1.10Å | |
| C6 | H5 | sing | 1.09Å | 1.10Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| C8 | H7 | sing | 1.08Å | 1.08Å | |
| C10 | H8 | sing | 1.08Å | 1.08Å | |
| C1 | H9 | sing | 1.09Å | 1.10Å | |
| C1 | H10 | sing | 1.09Å | 1.10Å | |
| C1 | H11 | sing | 1.09Å | 1.10Å | |
| C3 | H12 | sing | 1.09Å | 1.10Å | |
| C3 | H13 | sing | 1.09Å | 1.10Å | |
| C9 | H14 | sing | 1.08Å | 1.08Å | |
| C11 | H15 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C8 | C9 | C10 | 117.9° | 118.5° |
| C9 | C8 | C7 | 119.1° | 119.1° |
| C9 | C8 | H7 | 120.5° | 120.4° |
| C8 | C9 | H14 | 121.1° | 120.8° |
| C9 | C10 | C11 | 121.5° | 119.3° |
| C9 | C10 | H8 | 119.2° | 120.3° |
| C10 | C9 | H14 | 121.0° | 120.7° |
| C8 | C7 | N2 | 118.4° | 119.7° |
| C8 | C7 | N3 | 121.7° | 120.5° |
| C7 | C8 | H7 | 120.5° | 120.4° |
| C10 | C11 | N3 | 120.2° | 120.9° |
| C11 | C10 | H8 | 119.3° | 120.4° |
| C10 | C11 | H15 | 119.9° | 119.5° |
| N2 | C4 | C3 | 108.1° | 109.3° |
| C4 | N2 | C7 | 120.5° | 110.9° |
| C4 | N2 | C5 | 118.4° | 111.4° |
| N2 | C4 | H1 | 109.8° | 109.5° |
| N2 | C4 | H2 | 109.8° | 109.5° |
| C4 | C3 | N1 | 107.7° | 108.5° |
| C3 | C4 | H1 | 109.8° | 109.3° |
| C3 | C4 | H2 | 109.8° | 109.7° |
| C4 | C3 | H12 | 109.9° | 109.7° |
| C4 | C3 | H13 | 109.9° | 109.6° |
| N2 | C7 | N3 | 119.9° | 119.7° |
| C7 | N2 | C5 | 121.1° | 111.1° |
| C7 | N3 | C11 | 119.6° | 121.6° |
| N3 | C11 | H15 | 119.9° | 119.5° |
| N2 | C5 | C6 | 107.1° | 109.2° |
| N2 | C5 | H3 | 110.1° | 109.6° |
| N2 | C5 | H4 | 110.1° | 109.4° |
| C3 | N1 | C2 | 120.7° | 120.9° |
| C3 | N1 | C6 | 118.6° | 118.2° |
| N1 | C3 | H12 | 109.9° | 109.6° |
| N1 | C3 | H13 | 109.9° | 109.6° |
| C5 | C6 | N1 | 108.0° | 108.5° |
| C6 | C5 | H3 | 110.1° | 109.5° |
| C6 | C5 | H4 | 110.1° | 109.5° |
| C5 | C6 | H5 | 109.8° | 109.6° |
| C5 | C6 | H6 | 109.9° | 109.6° |
| C1 | C2 | N1 | 120.5° | 119.9° |
| C1 | C2 | O1 | 120.2° | 120.0° |
| C2 | C1 | H9 | 109.5° | 109.5° |
| C2 | C1 | H10 | 109.5° | 109.4° |
| C2 | C1 | H11 | 109.5° | 109.5° |
| C2 | N1 | C6 | 120.8° | 120.9° |
| N1 | C2 | O1 | 119.3° | 120.0° |
| N1 | C6 | H5 | 109.8° | 109.7° |
| N1 | C6 | H6 | 109.8° | 109.6° |
| H1 | C4 | H2 | 109.5° | 109.5° |
| H3 | C5 | H4 | 109.5° | 109.5° |
| H5 | C6 | H6 | 109.4° | 109.8° |
| H9 | C1 | H10 | 109.5° | 109.5° |
| H9 | C1 | H11 | 109.4° | 109.5° |
| H10 | C1 | H11 | 109.5° | 109.4° |
| H12 | C3 | H13 | 109.5° | 109.8° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C8 | C9 | C10 | H14 | 180.0° | 180.0° |
| C9 | C8 | C7 | H7 | 180.0° | 180.0° |
| C8 | C9 | C10 | C11 | 0.9° | 0.0° |
| C9 | C8 | C7 | N2 | 179.7° | 180.0° |
| C9 | C8 | C7 | N3 | 0.3° | 0.0° |
| C8 | C9 | C10 | H8 | 179.1° | 180.0° |
| C10 | C9 | C8 | C7 | 0.5° | 0.1° |
| C9 | C10 | C11 | H8 | 180.0° | 180.0° |
| C9 | C10 | C11 | N3 | 0.6° | 0.0° |
| C10 | C9 | C8 | H7 | 179.5° | 180.0° |
| C9 | C10 | C11 | H15 | 179.4° | 180.0° |
| C8 | C7 | N2 | C4 | 7.2° | 180.0° |
| C8 | C7 | N2 | N3 | 179.5° | 180.0° |
| C8 | C7 | N3 | C11 | 0.6° | 0.0° |
| C8 | C7 | N2 | C5 | 171.6° | 55.4° |
| C7 | C8 | C9 | H14 | 179.5° | 180.0° |
| C10 | C11 | N3 | C7 | 0.1° | 0.1° |
| C10 | C11 | N3 | H15 | 180.0° | 180.0° |
| C11 | C10 | C9 | H14 | 179.1° | 180.0° |
| N2 | C4 | C3 | H1 | 119.8° | 119.8° |
| N2 | C4 | C3 | H2 | 119.8° | 120.1° |
| C4 | N2 | C7 | C5 | 178.8° | 124.6° |
| C4 | N2 | C7 | N3 | 173.4° | 0.0° |
| N2 | C4 | C3 | N1 | 50.4° | 53.8° |
| C4 | N2 | C5 | C6 | 58.8° | 62.9° |
| N2 | C4 | H1 | H2 | 120.7° | 120.1° |
| C4 | N2 | C5 | H3 | 178.4° | 177.1° |
| C4 | N2 | C5 | H4 | 60.8° | 57.0° |
| N2 | C4 | C3 | H12 | 170.1° | 173.5° |
| N2 | C4 | C3 | H13 | 69.4° | 65.9° |
| C3 | C4 | N2 | C7 | 120.5° | 172.7° |
| C3 | C4 | N2 | C5 | 58.4° | 62.9° |
| C4 | C3 | N1 | H12 | 119.7° | 119.7° |
| C4 | C3 | N1 | H13 | 119.7° | 119.7° |
| C4 | C3 | N1 | C2 | 125.1° | 128.9° |
| C4 | C3 | N1 | C6 | 55.8° | 51.5° |
| C3 | C4 | H1 | H2 | 120.6° | 120.1° |
| C4 | C3 | H12 | H13 | 120.8° | 120.5° |
| N2 | C7 | N3 | C11 | 180.0° | 180.0° |
| C7 | N2 | C5 | C6 | 120.0° | 172.9° |
| C7 | N2 | C4 | H1 | 119.8° | 67.6° |
| C7 | N2 | C4 | H2 | 0.7° | 52.6° |
| C7 | N2 | C5 | H3 | 0.4° | 52.9° |
| C7 | N2 | C5 | H4 | 120.4° | 67.3° |
| N2 | C7 | C8 | H7 | 0.3° | 0.0° |
| N3 | C7 | N2 | C5 | 7.9° | 124.6° |
| N3 | C7 | C8 | H7 | 179.8° | 180.0° |
| C7 | N3 | C11 | H15 | 179.8° | 180.0° |
| N3 | C11 | C10 | H8 | 179.4° | 180.0° |
| N2 | C5 | C6 | H3 | 119.6° | 120.0° |
| N2 | C5 | C6 | H4 | 119.6° | 119.8° |
| N2 | C5 | C6 | N1 | 51.8° | 53.8° |
| C5 | N2 | C4 | H1 | 61.4° | 56.8° |
| C5 | N2 | C4 | H2 | 178.1° | 176.9° |
| N2 | C5 | H3 | H4 | 121.1° | 120.0° |
| N2 | C5 | C6 | H5 | 68.0° | 66.0° |
| N2 | C5 | C6 | H6 | 171.6° | 173.4° |
| C3 | N1 | C6 | C5 | 56.9° | 51.5° |
| C3 | N1 | C2 | C1 | 1.5° | 5.3° |
| C3 | N1 | C2 | C6 | 179.0° | 179.6° |
| C3 | N1 | C2 | O1 | 177.1° | 174.7° |
| N1 | C3 | C4 | H1 | 69.4° | 66.0° |
| N1 | C3 | C4 | H2 | 170.1° | 173.9° |
| C3 | N1 | C6 | H5 | 62.8° | 68.2° |
| C3 | N1 | C6 | H6 | 176.7° | 171.2° |
| N1 | C3 | H12 | H13 | 120.8° | 120.5° |
| C5 | C6 | N1 | C2 | 124.0° | 128.8° |
| C5 | C6 | N1 | H5 | 119.8° | 119.7° |
| C5 | C6 | N1 | H6 | 119.8° | 119.6° |
| C6 | C5 | H3 | H4 | 121.1° | 120.2° |
| C5 | C6 | H5 | H6 | 120.7° | 120.4° |
| C1 | C2 | N1 | O1 | 178.6° | 180.0° |
| C1 | C2 | N1 | C6 | 179.5° | 174.4° |
| C2 | C1 | H9 | H10 | 120.0° | 120.0° |
| C2 | C1 | H9 | H11 | 120.0° | 120.0° |
| C2 | C1 | H10 | H11 | 120.0° | 120.0° |
| C2 | N1 | C6 | H5 | 116.2° | 111.4° |
| C2 | N1 | C6 | H6 | 4.2° | 9.2° |
| N1 | C2 | C1 | H9 | 178.5° | 4.9° |
| N1 | C2 | C1 | H10 | 61.4° | 124.9° |
| N1 | C2 | C1 | H11 | 58.6° | 115.2° |
| C2 | N1 | C3 | H12 | 5.4° | 9.1° |
| C2 | N1 | C3 | H13 | 115.2° | 111.5° |
| C6 | N1 | C2 | O1 | 1.9° | 5.6° |
| N1 | C6 | C5 | H3 | 171.5° | 173.8° |
| N1 | C6 | C5 | H4 | 67.8° | 66.1° |
| N1 | C6 | H5 | H6 | 120.6° | 120.5° |
| C6 | N1 | C3 | H12 | 175.5° | 171.2° |
| C6 | N1 | C3 | H13 | 63.9° | 68.2° |
| O1 | C2 | C1 | H9 | 0.0° | 175.1° |
| O1 | C2 | C1 | H10 | 120.0° | 55.1° |
| O1 | C2 | C1 | H11 | 120.0° | 64.8° |
| H1 | C4 | C3 | H12 | 50.3° | 53.7° |
| H1 | C4 | C3 | H13 | 170.8° | 174.3° |
| H2 | C4 | C3 | H12 | 70.1° | 66.4° |
| H2 | C4 | C3 | H13 | 50.4° | 54.2° |
| H3 | C5 | C6 | H5 | 51.7° | 54.0° |
| H3 | C5 | C6 | H6 | 68.8° | 66.6° |
| H4 | C5 | C6 | H5 | 172.4° | 174.2° |
| H4 | C5 | C6 | H6 | 52.0° | 53.6° |
| H7 | C8 | C9 | H14 | 0.5° | 0.0° |
| H8 | C10 | C9 | H14 | 0.9° | 0.0° |
| H8 | C10 | C11 | H15 | 0.6° | 0.0° |
| H9 | C1 | H10 | H11 | 120.0° | 120.0° |
