HR8
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CL1 | C5 | sing | 1.74Å | 1.74Å | |
| C4 | C5 | doub | 1.39Å | 1.38Å | Aromatic |
| C4 | C3 | sing | 1.38Å | 1.37Å | Aromatic |
| C5 | C6 | sing | 1.38Å | 1.37Å | Aromatic |
| C3 | C2 | doub | 1.39Å | 1.39Å | Aromatic |
| C6 | C7 | doub | 1.40Å | 1.40Å | Aromatic |
| C2 | C7 | sing | 1.40Å | 1.41Å | Aromatic |
| C2 | O1 | sing | 1.36Å | 1.36Å | |
| C7 | C8 | sing | 1.48Å | 1.50Å | |
| C1 | O1 | sing | 1.43Å | 1.42Å | |
| C8 | O2 | doub | 1.22Å | 1.24Å | |
| C8 | N1 | sing | 1.35Å | 1.34Å | |
| N1 | C9 | sing | 1.47Å | 1.46Å | |
| C9 | C10 | sing | 1.53Å | 1.53Å | |
| C11 | C10 | sing | 1.53Å | 1.51Å | |
| C10 | C12 | sing | 1.53Å | 1.51Å | |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| C4 | H2 | sing | 1.08Å | 1.08Å | |
| C6 | H3 | sing | 1.08Å | 1.08Å | |
| C10 | H4 | sing | 1.09Å | 1.10Å | |
| C1 | H5 | sing | 1.09Å | 1.10Å | |
| C1 | H6 | sing | 1.09Å | 1.10Å | |
| C1 | H7 | sing | 1.09Å | 1.10Å | |
| C3 | H8 | sing | 1.08Å | 1.08Å | |
| C9 | H9 | sing | 1.09Å | 1.10Å | |
| C9 | H10 | sing | 1.09Å | 1.10Å | |
| C11 | H11 | sing | 1.09Å | 1.10Å | |
| C11 | H12 | sing | 1.09Å | 1.10Å | |
| C11 | H13 | sing | 1.09Å | 1.10Å | |
| C12 | H14 | sing | 1.09Å | 1.10Å | |
| C12 | H15 | sing | 1.09Å | 1.10Å | |
| C12 | H16 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CL1 | C5 | C4 | 117.8° | 119.9° |
| CL1 | C5 | C6 | 120.6° | 119.8° |
| C5 | C4 | C3 | 119.3° | 120.4° |
| C4 | C5 | C6 | 121.6° | 120.3° |
| C5 | C4 | H2 | 120.3° | 119.8° |
| C4 | C3 | C2 | 120.4° | 120.1° |
| C3 | C4 | H2 | 120.4° | 119.8° |
| C4 | C3 | H8 | 119.8° | 120.0° |
| C5 | C6 | C7 | 120.7° | 119.9° |
| C5 | C6 | H3 | 119.6° | 120.1° |
| C3 | C2 | C7 | 120.9° | 119.8° |
| C3 | C2 | O1 | 121.8° | 120.1° |
| C2 | C3 | H8 | 119.8° | 120.0° |
| C6 | C7 | C2 | 117.0° | 119.6° |
| C6 | C7 | C8 | 117.1° | 120.2° |
| C7 | C6 | H3 | 119.6° | 120.0° |
| C7 | C2 | O1 | 117.3° | 120.1° |
| C2 | C7 | C8 | 125.8° | 120.2° |
| C2 | O1 | C1 | 118.3° | 117.0° |
| C7 | C8 | O2 | 118.8° | 120.0° |
| C7 | C8 | N1 | 120.0° | 120.0° |
| O1 | C1 | H5 | 109.5° | 109.5° |
| O1 | C1 | H6 | 109.5° | 109.5° |
| O1 | C1 | H7 | 109.5° | 109.4° |
| O2 | C8 | N1 | 121.0° | 120.0° |
| C8 | N1 | C9 | 121.6° | 120.0° |
| C8 | N1 | H1 | 119.2° | 120.0° |
| N1 | C9 | C10 | 118.0° | 109.5° |
| C9 | N1 | H1 | 119.2° | 120.0° |
| N1 | C9 | H9 | 107.3° | 109.5° |
| N1 | C9 | H10 | 107.3° | 109.5° |
| C9 | C10 | C11 | 112.0° | 109.5° |
| C9 | C10 | C12 | 111.0° | 109.4° |
| C9 | C10 | H4 | 107.7° | 109.5° |
| C10 | C9 | H9 | 107.3° | 109.4° |
| C10 | C9 | H10 | 107.3° | 109.5° |
| C11 | C10 | C12 | 110.2° | 109.5° |
| C11 | C10 | H4 | 107.9° | 109.5° |
| C10 | C11 | H11 | 109.5° | 109.5° |
| C10 | C11 | H12 | 109.5° | 109.5° |
| C10 | C11 | H13 | 109.4° | 109.5° |
| C12 | C10 | H4 | 107.9° | 109.4° |
| C10 | C12 | H14 | 109.5° | 109.5° |
| C10 | C12 | H15 | 109.5° | 109.4° |
| C10 | C12 | H16 | 109.5° | 109.5° |
| H5 | C1 | H6 | 109.5° | 109.5° |
| H5 | C1 | H7 | 109.4° | 109.5° |
| H6 | C1 | H7 | 109.4° | 109.4° |
| H9 | C9 | H10 | 109.5° | 109.5° |
| H11 | C11 | H12 | 109.5° | 109.4° |
| H11 | C11 | H13 | 109.5° | 109.5° |
| H12 | C11 | H13 | 109.5° | 109.4° |
| H14 | C12 | H15 | 109.5° | 109.4° |
| H14 | C12 | H16 | 109.5° | 109.5° |
| H15 | C12 | H16 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CL1 | C5 | C4 | C6 | 179.2° | 180.0° |
| CL1 | C5 | C4 | C3 | 178.9° | 180.0° |
| CL1 | C5 | C6 | C7 | 179.5° | 180.0° |
| CL1 | C5 | C4 | H2 | 1.1° | 0.3° |
| CL1 | C5 | C6 | H3 | 0.5° | 0.1° |
| C5 | C4 | C3 | H2 | 180.0° | 179.8° |
| C5 | C4 | C3 | C2 | 1.4° | 0.0° |
| C4 | C5 | C6 | C7 | 0.3° | 0.0° |
| C4 | C5 | C6 | H3 | 179.7° | 179.9° |
| C5 | C4 | C3 | H8 | 178.6° | 179.9° |
| C3 | C4 | C5 | C6 | 0.3° | 0.0° |
| C4 | C3 | C2 | H8 | 180.0° | 179.9° |
| C4 | C3 | C2 | C7 | 1.9° | 0.0° |
| C4 | C3 | C2 | O1 | 178.9° | 179.9° |
| C5 | C6 | C7 | H3 | 180.0° | 179.9° |
| C5 | C6 | C7 | C2 | 0.2° | 0.0° |
| C5 | C6 | C7 | C8 | 178.3° | 180.0° |
| C6 | C5 | C4 | H2 | 179.7° | 179.7° |
| C3 | C2 | C7 | C6 | 1.3° | 0.0° |
| C3 | C2 | C7 | O1 | 179.3° | 179.9° |
| C3 | C2 | C7 | C8 | 179.3° | 180.0° |
| C3 | C2 | O1 | C1 | 3.4° | 0.1° |
| C2 | C3 | C4 | H2 | 178.6° | 179.7° |
| C6 | C7 | C2 | C8 | 178.0° | 180.0° |
| C6 | C7 | C2 | O1 | 179.5° | 179.9° |
| C6 | C7 | C8 | O2 | 26.8° | 180.0° |
| C6 | C7 | C8 | N1 | 157.7° | 0.0° |
| C7 | C2 | O1 | C1 | 177.3° | 180.0° |
| C2 | C7 | C8 | O2 | 151.1° | 0.0° |
| C2 | C7 | C8 | N1 | 24.3° | 180.0° |
| C2 | C7 | C6 | H3 | 179.8° | 179.9° |
| C7 | C2 | C3 | H8 | 178.1° | 179.9° |
| O1 | C2 | C7 | C8 | 1.5° | 0.0° |
| C2 | O1 | C1 | H5 | 180.0° | 60.1° |
| C2 | O1 | C1 | H6 | 60.0° | 60.0° |
| C2 | O1 | C1 | H7 | 60.0° | 180.0° |
| O1 | C2 | C3 | H8 | 1.1° | 0.0° |
| C7 | C8 | O2 | N1 | 175.4° | 180.0° |
| C7 | C8 | N1 | C9 | 135.7° | 180.0° |
| C7 | C8 | N1 | H1 | 44.2° | 0.3° |
| C8 | C7 | C6 | H3 | 1.7° | 0.1° |
| O1 | C1 | H5 | H6 | 120.0° | 120.1° |
| O1 | C1 | H5 | H7 | 120.0° | 120.0° |
| O1 | C1 | H6 | H7 | 120.0° | 120.0° |
| O2 | C8 | N1 | C9 | 39.6° | 0.0° |
| O2 | C8 | N1 | H1 | 140.4° | 179.7° |
| C8 | N1 | C9 | H1 | 180.0° | 179.8° |
| C8 | N1 | C9 | C10 | 141.1° | 179.8° |
| C8 | N1 | C9 | H9 | 97.7° | 60.3° |
| C8 | N1 | C9 | H10 | 19.9° | 59.8° |
| N1 | C9 | C10 | H9 | 121.2° | 120.0° |
| N1 | C9 | C10 | H10 | 121.2° | 120.0° |
| N1 | C9 | C10 | C11 | 7.1° | 175.0° |
| N1 | C9 | C10 | C12 | 116.5° | 65.0° |
| N1 | C9 | C10 | H4 | 125.6° | 55.0° |
| N1 | C9 | H9 | H10 | 116.1° | 120.0° |
| C9 | C10 | C11 | C12 | 124.1° | 119.9° |
| C9 | C10 | C11 | H4 | 118.4° | 120.1° |
| C9 | C10 | C12 | H4 | 117.8° | 120.0° |
| C10 | C9 | N1 | H1 | 38.9° | 0.0° |
| C10 | C9 | H9 | H10 | 116.1° | 120.0° |
| C9 | C10 | C11 | H11 | 180.0° | 180.0° |
| C9 | C10 | C11 | H12 | 60.0° | 60.1° |
| C9 | C10 | C11 | H13 | 60.0° | 59.9° |
| C9 | C10 | C12 | H14 | 180.0° | 60.0° |
| C9 | C10 | C12 | H15 | 60.0° | 180.0° |
| C9 | C10 | C12 | H16 | 60.0° | 60.0° |
| C11 | C10 | C12 | H4 | 117.6° | 120.0° |
| C11 | C10 | C9 | H9 | 128.3° | 55.0° |
| C11 | C10 | C9 | H10 | 114.1° | 64.9° |
| C10 | C11 | H11 | H12 | 120.0° | 120.0° |
| C10 | C11 | H11 | H13 | 120.0° | 120.1° |
| C10 | C11 | H12 | H13 | 120.0° | 120.0° |
| C11 | C10 | C12 | H14 | 55.3° | 180.0° |
| C11 | C10 | C12 | H15 | 64.7° | 60.0° |
| C11 | C10 | C12 | H16 | 175.4° | 60.0° |
| C12 | C10 | C9 | H9 | 4.7° | 175.0° |
| C12 | C10 | C9 | H10 | 122.2° | 55.1° |
| C12 | C10 | C11 | H11 | 55.9° | 60.0° |
| C12 | C10 | C11 | H12 | 175.9° | 180.0° |
| C12 | C10 | C11 | H13 | 64.1° | 60.0° |
| C10 | C12 | H14 | H15 | 120.0° | 119.9° |
| C10 | C12 | H14 | H16 | 120.0° | 120.1° |
| C10 | C12 | H15 | H16 | 120.0° | 120.0° |
| H1 | N1 | C9 | H9 | 82.3° | 120.0° |
| H1 | N1 | C9 | H10 | 160.1° | 120.0° |
| H2 | C4 | C3 | H8 | 1.4° | 0.2° |
| H4 | C10 | C9 | H9 | 113.2° | 65.0° |
| H4 | C10 | C9 | H10 | 4.4° | 175.0° |
| H4 | C10 | C11 | H11 | 61.6° | 59.9° |
| H4 | C10 | C11 | H12 | 58.4° | 60.0° |
| H4 | C10 | C11 | H13 | 178.4° | 180.0° |
| H4 | C10 | C12 | H14 | 62.2° | 59.9° |
| H4 | C10 | C12 | H15 | 177.8° | 60.0° |
| H4 | C10 | C12 | H16 | 57.8° | 180.0° |
| H5 | C1 | H6 | H7 | 119.9° | 120.0° |
| H11 | C11 | H12 | H13 | 120.0° | 120.0° |
| H14 | C12 | H15 | H16 | 120.0° | 120.0° |
