7FF
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N12 | C8 | sing | 1.40Å | 1.46Å | |
| C7 | C8 | sing | 1.39Å | 1.40Å | Aromatic |
| C7 | C4 | doub | 1.38Å | 1.41Å | Aromatic |
| C8 | C11 | doub | 1.39Å | 1.42Å | Aromatic |
| C13 | C4 | sing | 1.51Å | 1.57Å | |
| C13 | C14 | sing | 1.53Å | 1.52Å | |
| C4 | C2 | sing | 1.39Å | 1.41Å | Aromatic |
| C11 | C5 | sing | 1.38Å | 1.40Å | Aromatic |
| C14 | C10 | sing | 1.53Å | 1.50Å | |
| C2 | C5 | doub | 1.39Å | 1.41Å | Aromatic |
| C2 | N1 | sing | 1.41Å | 1.48Å | |
| C10 | N1 | sing | 1.47Å | 1.44Å | |
| N1 | C3 | sing | 1.35Å | 1.45Å | |
| C3 | O9 | sing | 1.35Å | 1.40Å | |
| C3 | O6 | doub | 1.21Å | 1.18Å | |
| O9 | C15 | sing | 1.45Å | 1.40Å | |
| C5 | H1 | sing | 1.08Å | 1.08Å | |
| C7 | H2 | sing | 1.08Å | 1.08Å | |
| C10 | H3 | sing | 1.09Å | 1.10Å | |
| C10 | H4 | sing | 1.09Å | 1.10Å | |
| N12 | H5 | sing | 0.97Å | 1.00Å | |
| N12 | H6 | sing | 0.97Å | 1.00Å | |
| C13 | H7 | sing | 1.09Å | 1.10Å | |
| C13 | H8 | sing | 1.09Å | 1.10Å | |
| C15 | H9 | sing | 1.09Å | 1.10Å | |
| C15 | H10 | sing | 1.09Å | 1.10Å | |
| C15 | H11 | sing | 1.09Å | 1.10Å | |
| C11 | H12 | sing | 1.08Å | 1.08Å | |
| C14 | H13 | sing | 1.09Å | 1.10Å | |
| C14 | H14 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N12 | C8 | C7 | 119.5° | 120.0° |
| N12 | C8 | C11 | 120.3° | 120.0° |
| C8 | N12 | H5 | 109.5° | 120.0° |
| C8 | N12 | H6 | 109.5° | 120.1° |
| C8 | C7 | C4 | 120.0° | 120.2° |
| C7 | C8 | C11 | 120.1° | 120.0° |
| C8 | C7 | H2 | 120.0° | 119.9° |
| C7 | C4 | C13 | 120.2° | 119.0° |
| C7 | C4 | C2 | 120.0° | 119.6° |
| C4 | C7 | H2 | 120.0° | 119.9° |
| C8 | C11 | C5 | 119.6° | 119.8° |
| C8 | C11 | H12 | 120.2° | 120.1° |
| C4 | C13 | C14 | 111.9° | 110.6° |
| C13 | C4 | C2 | 119.8° | 121.4° |
| C4 | C13 | H7 | 108.8° | 109.3° |
| C4 | C13 | H8 | 108.9° | 109.2° |
| C13 | C14 | C10 | 112.7° | 108.8° |
| C14 | C13 | H7 | 108.9° | 109.1° |
| C14 | C13 | H8 | 108.8° | 109.4° |
| C13 | C14 | H13 | 108.7° | 109.6° |
| C13 | C14 | H14 | 108.7° | 109.6° |
| C4 | C2 | C5 | 119.7° | 120.2° |
| C4 | C2 | N1 | 119.4° | 120.7° |
| C11 | C5 | C2 | 120.6° | 120.1° |
| C11 | C5 | H1 | 119.7° | 119.9° |
| C5 | C11 | H12 | 120.2° | 120.1° |
| C14 | C10 | N1 | 116.1° | 107.8° |
| C14 | C10 | H3 | 107.8° | 109.8° |
| C14 | C10 | H4 | 107.8° | 109.9° |
| C10 | C14 | H13 | 108.7° | 109.4° |
| C10 | C14 | H14 | 108.7° | 109.7° |
| C5 | C2 | N1 | 120.9° | 119.1° |
| C2 | C5 | H1 | 119.7° | 119.9° |
| C2 | N1 | C10 | 121.2° | 118.9° |
| C2 | N1 | C3 | 117.1° | 120.5° |
| C10 | N1 | C3 | 114.9° | 120.6° |
| N1 | C10 | H3 | 107.8° | 109.7° |
| N1 | C10 | H4 | 107.8° | 109.8° |
| N1 | C3 | O9 | 120.4° | 120.0° |
| N1 | C3 | O6 | 118.2° | 120.0° |
| O9 | C3 | O6 | 121.4° | 120.0° |
| C3 | O9 | C15 | 115.8° | 117.0° |
| O9 | C15 | H9 | 109.5° | 109.5° |
| O9 | C15 | H10 | 109.5° | 109.5° |
| O9 | C15 | H11 | 109.5° | 109.5° |
| H3 | C10 | H4 | 109.5° | 109.8° |
| H5 | N12 | H6 | 109.5° | 119.9° |
| H7 | C13 | H8 | 109.5° | 109.2° |
| H9 | C15 | H10 | 109.5° | 109.4° |
| H9 | C15 | H11 | 109.5° | 109.5° |
| H10 | C15 | H11 | 109.4° | 109.5° |
| H13 | C14 | H14 | 109.5° | 109.7° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N12 | C8 | C7 | C11 | 179.8° | 179.9° |
| N12 | C8 | C7 | C4 | 179.9° | 180.0° |
| N12 | C8 | C11 | C5 | 179.8° | 179.9° |
| N12 | C8 | C7 | H2 | 0.1° | 0.1° |
| C8 | N12 | H5 | H6 | 120.0° | 180.0° |
| N12 | C8 | C11 | H12 | 0.2° | 0.0° |
| C8 | C7 | C4 | H2 | 180.0° | 179.9° |
| C8 | C7 | C4 | C13 | 179.8° | 179.6° |
| C8 | C7 | C4 | C2 | 0.2° | 0.2° |
| C7 | C8 | C11 | C5 | 0.3° | 0.2° |
| C7 | C8 | N12 | H5 | 180.0° | 0.0° |
| C7 | C8 | N12 | H6 | 60.0° | 180.0° |
| C7 | C8 | C11 | H12 | 179.6° | 179.9° |
| C4 | C7 | C8 | C11 | 0.1° | 0.1° |
| C7 | C4 | C13 | C2 | 179.9° | 179.8° |
| C7 | C4 | C13 | C14 | 153.4° | 159.6° |
| C7 | C4 | C2 | C5 | 0.3° | 0.3° |
| C7 | C4 | C2 | N1 | 179.9° | 179.6° |
| C7 | C4 | C13 | H7 | 33.0° | 80.4° |
| C7 | C4 | C13 | H8 | 86.2° | 39.1° |
| C8 | C11 | C5 | H12 | 180.0° | 179.9° |
| C8 | C11 | C5 | C2 | 0.3° | 0.0° |
| C8 | C11 | C5 | H1 | 179.7° | 179.9° |
| C11 | C8 | C7 | H2 | 179.9° | 179.9° |
| C11 | C8 | N12 | H5 | 0.1° | 180.0° |
| C11 | C8 | N12 | H6 | 119.9° | 0.1° |
| C4 | C13 | C14 | H7 | 120.4° | 120.2° |
| C4 | C13 | C14 | H8 | 120.4° | 120.4° |
| C4 | C13 | C14 | C10 | 48.4° | 51.3° |
| C13 | C4 | C2 | C5 | 179.8° | 179.5° |
| C13 | C4 | C2 | N1 | 0.1° | 0.7° |
| C13 | C4 | C7 | H2 | 0.2° | 0.5° |
| C4 | C13 | H7 | H8 | 118.9° | 119.4° |
| C4 | C13 | C14 | H13 | 72.1° | 68.2° |
| C4 | C13 | C14 | H14 | 168.9° | 171.3° |
| C14 | C13 | C4 | C2 | 26.5° | 20.7° |
| C13 | C14 | C10 | H13 | 120.5° | 119.7° |
| C13 | C14 | C10 | H14 | 120.5° | 119.9° |
| C13 | C14 | C10 | N1 | 45.7° | 63.3° |
| C13 | C14 | C10 | H3 | 166.7° | 177.2° |
| C13 | C14 | C10 | H4 | 75.2° | 56.3° |
| C14 | C13 | H7 | H8 | 118.9° | 119.5° |
| C13 | C14 | H13 | H14 | 118.6° | 120.4° |
| C4 | C2 | C5 | C11 | 0.0° | 0.2° |
| C4 | C2 | C5 | N1 | 179.7° | 179.9° |
| C4 | C2 | N1 | C10 | 4.7° | 13.8° |
| C4 | C2 | N1 | C3 | 144.9° | 166.4° |
| C4 | C2 | C5 | H1 | 180.0° | 179.8° |
| C2 | C4 | C7 | H2 | 179.8° | 179.7° |
| C2 | C4 | C13 | H7 | 146.9° | 99.4° |
| C2 | C4 | C13 | H8 | 93.8° | 141.2° |
| C11 | C5 | C2 | H1 | 180.0° | 180.0° |
| C11 | C5 | C2 | N1 | 179.6° | 179.7° |
| C14 | C10 | N1 | C2 | 18.8° | 44.9° |
| C14 | C10 | N1 | H3 | 121.0° | 119.6° |
| C14 | C10 | N1 | H4 | 121.0° | 119.7° |
| C14 | C10 | N1 | C3 | 169.0° | 135.3° |
| C14 | C10 | H3 | H4 | 117.0° | 120.9° |
| C10 | C14 | C13 | H7 | 168.7° | 68.9° |
| C10 | C14 | C13 | H8 | 72.0° | 171.7° |
| C10 | C14 | H13 | H14 | 118.5° | 120.4° |
| C5 | C2 | N1 | C10 | 175.6° | 166.3° |
| C5 | C2 | N1 | C3 | 34.8° | 13.4° |
| C2 | C5 | C11 | H12 | 179.6° | 180.0° |
| C2 | N1 | C10 | C3 | 150.2° | 179.7° |
| C2 | N1 | C3 | O9 | 4.7° | 173.5° |
| C2 | N1 | C3 | O6 | 175.9° | 6.6° |
| N1 | C2 | C5 | H1 | 0.4° | 0.3° |
| C2 | N1 | C10 | H3 | 139.7° | 164.5° |
| C2 | N1 | C10 | H4 | 102.2° | 74.8° |
| C10 | N1 | C3 | O9 | 146.8° | 6.3° |
| C10 | N1 | C3 | O6 | 32.6° | 173.7° |
| N1 | C10 | H3 | H4 | 117.0° | 120.7° |
| N1 | C10 | C14 | H13 | 74.7° | 56.4° |
| N1 | C10 | C14 | H14 | 166.2° | 176.8° |
| N1 | C3 | O9 | O6 | 179.3° | 180.0° |
| N1 | C3 | O9 | C15 | 174.0° | 180.0° |
| C3 | N1 | C10 | H3 | 70.0° | 15.7° |
| C3 | N1 | C10 | H4 | 48.0° | 105.0° |
| C3 | O9 | C15 | H9 | 180.0° | 60.0° |
| C3 | O9 | C15 | H10 | 60.0° | 60.0° |
| C3 | O9 | C15 | H11 | 60.0° | 180.0° |
| O6 | C3 | O9 | C15 | 5.3° | 0.0° |
| O9 | C15 | H9 | H10 | 120.0° | 120.0° |
| O9 | C15 | H9 | H11 | 120.0° | 120.0° |
| O9 | C15 | H10 | H11 | 120.0° | 120.0° |
| H1 | C5 | C11 | H12 | 0.4° | 0.0° |
| H3 | C10 | C14 | H13 | 46.2° | 63.1° |
| H3 | C10 | C14 | H14 | 72.8° | 57.2° |
| H4 | C10 | C14 | H13 | 164.3° | 176.0° |
| H4 | C10 | C14 | H14 | 45.3° | 63.6° |
| H7 | C13 | C14 | H13 | 48.3° | 171.6° |
| H7 | C13 | C14 | H14 | 70.8° | 51.1° |
| H8 | C13 | C14 | H13 | 167.5° | 52.2° |
| H8 | C13 | C14 | H14 | 48.5° | 68.3° |
| H9 | C15 | H10 | H11 | 120.0° | 120.0° |
