8C7
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C1 | sing | 1.35Å | 1.33Å | |
| C1 | C2 | sing | 1.48Å | 1.49Å | |
| C1 | O1 | doub | 1.22Å | 1.25Å | |
| C14 | C2 | doub | 1.40Å | 1.39Å | Aromatic |
| C14 | C13 | sing | 1.38Å | 1.38Å | Aromatic |
| C2 | C3 | sing | 1.40Å | 1.39Å | Aromatic |
| C13 | C5 | doub | 1.39Å | 1.39Å | Aromatic |
| C3 | C4 | doub | 1.38Å | 1.38Å | Aromatic |
| C5 | C4 | sing | 1.39Å | 1.39Å | Aromatic |
| C5 | O2 | sing | 1.36Å | 1.37Å | |
| C6 | O2 | sing | 1.43Å | 1.44Å | |
| C6 | C7 | sing | 1.53Å | 1.51Å | |
| C8 | C7 | sing | 1.53Å | 1.52Å | |
| C8 | C9 | sing | 1.53Å | 1.52Å | |
| C7 | C12 | sing | 1.53Å | 1.52Å | |
| C9 | C10 | sing | 1.53Å | 1.51Å | |
| C12 | C11 | sing | 1.53Å | 1.53Å | |
| C10 | C11 | sing | 1.53Å | 1.52Å | |
| C4 | H1 | sing | 1.08Å | 1.08Å | |
| C14 | H2 | sing | 1.08Å | 1.08Å | |
| C6 | H3 | sing | 1.09Å | 1.10Å | |
| C6 | H4 | sing | 1.09Å | 1.10Å | |
| C11 | H5 | sing | 1.09Å | 1.10Å | |
| C11 | H6 | sing | 1.09Å | 1.10Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| C8 | H9 | sing | 1.09Å | 1.10Å | |
| C9 | H10 | sing | 1.09Å | 1.10Å | |
| C9 | H11 | sing | 1.09Å | 1.10Å | |
| C10 | H12 | sing | 1.09Å | 1.10Å | |
| C10 | H13 | sing | 1.09Å | 1.10Å | |
| C12 | H14 | sing | 1.09Å | 1.10Å | |
| C12 | H15 | sing | 1.09Å | 1.10Å | |
| C13 | H16 | sing | 1.08Å | 1.08Å | |
| N1 | H17 | sing | 0.97Å | 1.00Å | |
| N1 | H18 | sing | 0.97Å | 1.00Å | |
| C3 | H19 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N1 | C1 | C2 | 117.3° | 120.0° |
| N1 | C1 | O1 | 122.7° | 120.0° |
| C1 | N1 | H17 | 120.0° | 120.0° |
| C1 | N1 | H18 | 120.0° | 120.0° |
| C2 | C1 | O1 | 120.0° | 120.0° |
| C1 | C2 | C14 | 119.8° | 120.1° |
| C1 | C2 | C3 | 121.6° | 120.1° |
| C2 | C14 | C13 | 121.0° | 120.0° |
| C14 | C2 | C3 | 118.6° | 119.8° |
| C2 | C14 | H2 | 119.5° | 120.1° |
| C14 | C13 | C5 | 119.8° | 120.0° |
| C13 | C14 | H2 | 119.5° | 120.0° |
| C14 | C13 | H16 | 120.1° | 120.0° |
| C2 | C3 | C4 | 120.8° | 119.9° |
| C2 | C3 | H19 | 119.6° | 120.0° |
| C13 | C5 | C4 | 119.7° | 120.2° |
| C13 | C5 | O2 | 120.7° | 119.9° |
| C5 | C13 | H16 | 120.1° | 120.0° |
| C3 | C4 | C5 | 120.1° | 120.1° |
| C3 | C4 | H1 | 119.9° | 119.9° |
| C4 | C3 | H19 | 119.6° | 120.1° |
| C4 | C5 | O2 | 119.7° | 119.9° |
| C5 | C4 | H1 | 120.0° | 120.0° |
| C5 | O2 | C6 | 115.9° | 117.0° |
| O2 | C6 | C7 | 112.8° | 109.5° |
| O2 | C6 | H3 | 108.6° | 109.5° |
| O2 | C6 | H4 | 108.6° | 109.5° |
| C6 | C7 | C8 | 108.8° | 109.5° |
| C6 | C7 | C12 | 113.6° | 109.5° |
| C7 | C6 | H3 | 108.7° | 109.4° |
| C7 | C6 | H4 | 108.7° | 109.5° |
| C6 | C7 | H7 | 107.9° | 109.4° |
| C7 | C8 | C9 | 111.6° | 109.5° |
| C8 | C7 | C12 | 110.9° | 109.5° |
| C8 | C7 | H7 | 107.7° | 109.5° |
| C7 | C8 | H8 | 108.9° | 109.4° |
| C7 | C8 | H9 | 108.9° | 109.4° |
| C8 | C9 | C10 | 111.7° | 109.5° |
| C9 | C8 | H8 | 108.9° | 109.5° |
| C9 | C8 | H9 | 108.9° | 109.5° |
| C8 | C9 | H10 | 109.0° | 109.5° |
| C8 | C9 | H11 | 108.9° | 109.5° |
| C7 | C12 | C11 | 112.6° | 109.5° |
| C12 | C7 | H7 | 107.8° | 109.5° |
| C7 | C12 | H14 | 108.7° | 109.5° |
| C7 | C12 | H15 | 108.7° | 109.5° |
| C9 | C10 | C11 | 112.1° | 109.5° |
| C10 | C9 | H10 | 108.9° | 109.5° |
| C10 | C9 | H11 | 108.9° | 109.4° |
| C9 | C10 | H12 | 108.8° | 109.5° |
| C9 | C10 | H13 | 108.8° | 109.5° |
| C12 | C11 | C10 | 112.1° | 109.4° |
| C12 | C11 | H5 | 108.8° | 109.4° |
| C12 | C11 | H6 | 108.8° | 109.5° |
| C11 | C12 | H14 | 108.7° | 109.5° |
| C11 | C12 | H15 | 108.7° | 109.5° |
| C10 | C11 | H5 | 108.8° | 109.5° |
| C10 | C11 | H6 | 108.8° | 109.4° |
| C11 | C10 | H12 | 108.8° | 109.5° |
| C11 | C10 | H13 | 108.8° | 109.5° |
| H3 | C6 | H4 | 109.4° | 109.4° |
| H5 | C11 | H6 | 109.5° | 109.5° |
| H8 | C8 | H9 | 109.4° | 109.5° |
| H10 | C9 | H11 | 109.5° | 109.5° |
| H12 | C10 | H13 | 109.5° | 109.4° |
| H14 | C12 | H15 | 109.5° | 109.5° |
| H17 | N1 | H18 | 120.0° | 119.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N1 | C1 | C2 | O1 | 177.1° | 180.0° |
| N1 | C1 | C2 | C14 | 23.4° | 180.0° |
| N1 | C1 | C2 | C3 | 154.2° | 0.2° |
| C1 | N1 | H17 | H18 | 180.0° | 180.0° |
| C1 | C2 | C14 | C3 | 177.7° | 179.9° |
| C1 | C2 | C14 | C13 | 179.7° | 180.0° |
| C1 | C2 | C3 | C4 | 179.4° | 179.8° |
| C1 | C2 | C14 | H2 | 0.3° | 0.1° |
| C2 | C1 | N1 | H17 | 177.1° | 0.0° |
| C2 | C1 | N1 | H18 | 2.9° | 180.0° |
| C1 | C2 | C3 | H19 | 0.6° | 0.2° |
| O1 | C1 | C2 | C14 | 153.7° | 0.0° |
| O1 | C1 | C2 | C3 | 28.6° | 179.8° |
| O1 | C1 | N1 | H17 | 0.0° | 180.0° |
| O1 | C1 | N1 | H18 | 180.0° | 0.0° |
| C2 | C14 | C13 | H2 | 180.0° | 179.9° |
| C2 | C14 | C13 | C5 | 0.5° | 0.1° |
| C14 | C2 | C3 | C4 | 2.9° | 0.1° |
| C2 | C14 | C13 | H16 | 179.5° | 179.8° |
| C14 | C2 | C3 | H19 | 177.1° | 179.9° |
| C13 | C14 | C2 | C3 | 2.6° | 0.1° |
| C14 | C13 | C5 | H16 | 180.0° | 179.9° |
| C14 | C13 | C5 | C4 | 1.4° | 0.1° |
| C14 | C13 | C5 | O2 | 179.6° | 180.0° |
| C2 | C3 | C4 | H19 | 180.0° | 179.9° |
| C2 | C3 | C4 | C5 | 1.1° | 0.3° |
| C2 | C3 | C4 | H1 | 178.9° | 180.0° |
| C3 | C2 | C14 | H2 | 177.4° | 179.8° |
| C13 | C5 | C4 | C3 | 1.1° | 0.3° |
| C13 | C5 | C4 | O2 | 179.0° | 180.0° |
| C13 | C5 | O2 | C6 | 2.9° | 0.0° |
| C13 | C5 | C4 | H1 | 178.9° | 180.0° |
| C5 | C13 | C14 | H2 | 179.5° | 179.8° |
| C3 | C4 | C5 | H1 | 180.0° | 179.7° |
| C3 | C4 | C5 | O2 | 179.9° | 179.7° |
| C4 | C5 | O2 | C6 | 178.1° | 180.0° |
| C4 | C5 | C13 | H16 | 178.6° | 180.0° |
| C5 | C4 | C3 | H19 | 178.9° | 179.8° |
| C5 | O2 | C6 | C7 | 140.5° | 180.0° |
| O2 | C5 | C4 | H1 | 0.1° | 0.0° |
| C5 | O2 | C6 | H3 | 99.0° | 60.0° |
| C5 | O2 | C6 | H4 | 19.9° | 60.0° |
| O2 | C5 | C13 | H16 | 0.4° | 0.0° |
| O2 | C6 | C7 | H3 | 120.5° | 120.0° |
| O2 | C6 | C7 | H4 | 120.5° | 120.0° |
| O2 | C6 | C7 | C8 | 147.1° | 65.0° |
| O2 | C6 | C7 | C12 | 23.0° | 175.0° |
| O2 | C6 | H3 | H4 | 118.5° | 120.0° |
| O2 | C6 | C7 | H7 | 96.4° | 55.0° |
| C6 | C7 | C8 | C12 | 125.7° | 120.0° |
| C6 | C7 | C8 | H7 | 116.6° | 120.0° |
| C6 | C7 | C8 | C9 | 179.5° | 180.0° |
| C6 | C7 | C12 | H7 | 119.5° | 120.0° |
| C6 | C7 | C12 | C11 | 176.2° | 180.0° |
| C7 | C6 | H3 | H4 | 118.5° | 120.0° |
| C6 | C7 | C8 | H8 | 60.2° | 60.0° |
| C6 | C7 | C8 | H9 | 59.2° | 60.0° |
| C6 | C7 | C12 | H14 | 63.4° | 60.0° |
| C6 | C7 | C12 | H15 | 55.7° | 60.0° |
| C7 | C8 | C9 | H8 | 120.3° | 120.0° |
| C7 | C8 | C9 | H9 | 120.3° | 120.0° |
| C8 | C7 | C12 | H7 | 117.6° | 120.0° |
| C7 | C8 | C9 | C10 | 55.5° | 60.0° |
| C8 | C7 | C12 | C11 | 53.3° | 60.0° |
| C8 | C7 | C6 | H3 | 26.6° | 55.0° |
| C8 | C7 | C6 | H4 | 92.4° | 175.0° |
| C7 | C8 | H8 | H9 | 119.0° | 120.0° |
| C7 | C8 | C9 | H10 | 175.9° | 180.0° |
| C7 | C8 | C9 | H11 | 64.8° | 59.9° |
| C8 | C7 | C12 | H14 | 173.7° | 60.0° |
| C8 | C7 | C12 | H15 | 67.2° | 180.0° |
| C9 | C8 | C7 | C12 | 54.8° | 60.0° |
| C8 | C9 | C10 | H10 | 120.4° | 120.0° |
| C8 | C9 | C10 | H11 | 120.3° | 120.0° |
| C8 | C9 | C10 | C11 | 53.9° | 60.0° |
| C9 | C8 | C7 | H7 | 62.9° | 60.0° |
| C9 | C8 | H8 | H9 | 119.0° | 120.0° |
| C8 | C9 | H10 | H11 | 119.0° | 120.1° |
| C8 | C9 | C10 | H12 | 66.4° | 179.9° |
| C8 | C9 | C10 | H13 | 174.3° | 60.0° |
| C7 | C12 | C11 | H14 | 120.5° | 120.0° |
| C7 | C12 | C11 | H15 | 120.5° | 120.0° |
| C7 | C12 | C11 | C10 | 52.1° | 60.0° |
| C12 | C7 | C6 | H3 | 97.5° | 65.0° |
| C12 | C7 | C6 | H4 | 143.5° | 55.0° |
| C7 | C12 | C11 | H5 | 68.3° | 180.0° |
| C7 | C12 | C11 | H6 | 172.5° | 60.0° |
| C12 | C7 | C8 | H8 | 65.5° | 60.0° |
| C12 | C7 | C8 | H9 | 175.2° | 180.0° |
| C7 | C12 | H14 | H15 | 118.6° | 120.0° |
| C9 | C10 | C11 | C12 | 52.1° | 60.0° |
| C9 | C10 | C11 | H12 | 120.4° | 120.0° |
| C9 | C10 | C11 | H13 | 120.4° | 120.0° |
| C9 | C10 | C11 | H5 | 68.3° | 179.9° |
| C9 | C10 | C11 | H6 | 172.5° | 60.0° |
| C10 | C9 | C8 | H8 | 64.8° | 60.0° |
| C10 | C9 | C8 | H9 | 175.9° | 180.0° |
| C10 | C9 | H10 | H11 | 119.0° | 119.9° |
| C9 | C10 | H12 | H13 | 118.8° | 120.0° |
| C12 | C11 | C10 | H5 | 120.4° | 119.9° |
| C12 | C11 | C10 | H6 | 120.4° | 120.0° |
| C12 | C11 | H5 | H6 | 118.8° | 120.0° |
| C11 | C12 | C7 | H7 | 64.4° | 60.0° |
| C12 | C11 | C10 | H12 | 68.3° | 180.0° |
| C12 | C11 | C10 | H13 | 172.5° | 60.0° |
| C11 | C12 | H14 | H15 | 118.6° | 120.0° |
| C10 | C11 | H5 | H6 | 118.8° | 120.0° |
| C11 | C10 | C9 | H10 | 174.3° | 180.0° |
| C11 | C10 | C9 | H11 | 66.4° | 60.0° |
| C11 | C10 | H12 | H13 | 118.8° | 120.0° |
| C10 | C11 | C12 | H14 | 172.6° | 60.0° |
| C10 | C11 | C12 | H15 | 68.4° | 180.0° |
| H1 | C4 | C3 | H19 | 1.1° | 0.0° |
| H2 | C14 | C13 | H16 | 0.5° | 0.3° |
| H3 | C6 | C7 | H7 | 143.1° | 175.0° |
| H4 | C6 | C7 | H7 | 24.1° | 65.0° |
| H5 | C11 | C10 | H12 | 171.3° | 60.0° |
| H5 | C11 | C10 | H13 | 52.1° | 59.9° |
| H5 | C11 | C12 | H14 | 52.2° | 60.0° |
| H5 | C11 | C12 | H15 | 171.2° | 60.1° |
| H6 | C11 | C10 | H12 | 52.1° | 60.1° |
| H6 | C11 | C10 | H13 | 67.1° | 180.0° |
| H6 | C11 | C12 | H14 | 67.0° | 180.0° |
| H6 | C11 | C12 | H15 | 52.0° | 60.0° |
| H7 | C7 | C8 | H8 | 176.8° | 180.0° |
| H7 | C7 | C8 | H9 | 57.5° | 60.0° |
| H7 | C7 | C12 | H14 | 56.1° | 180.0° |
| H7 | C7 | C12 | H15 | 175.1° | 60.0° |
| H8 | C8 | C9 | H10 | 55.5° | 60.0° |
| H8 | C8 | C9 | H11 | 174.9° | 179.9° |
| H9 | C8 | C9 | H10 | 63.8° | 60.1° |
| H9 | C8 | C9 | H11 | 55.6° | 60.0° |
| H10 | C9 | C10 | H12 | 53.9° | 60.0° |
| H10 | C9 | C10 | H13 | 65.3° | 60.0° |
| H11 | C9 | C10 | H12 | 173.3° | 60.0° |
| H11 | C9 | C10 | H13 | 54.0° | 180.0° |
