F44
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C8 | C9 | sing | 1.53Å | 1.52Å | |
| C8 | C7 | sing | 1.53Å | 1.54Å | |
| C9 | C10 | sing | 1.51Å | 1.52Å | |
| C7 | C6 | sing | 1.51Å | 1.53Å | |
| C15 | C10 | doub | 1.38Å | 1.39Å | Aromatic |
| C15 | C14 | sing | 1.39Å | 1.38Å | Aromatic |
| C10 | N11 | sing | 1.32Å | 1.41Å | Aromatic |
| C6 | C1 | doub | 1.38Å | 1.38Å | Aromatic |
| C6 | N5 | sing | 1.32Å | 1.40Å | Aromatic |
| C1 | C2 | sing | 1.39Å | 1.40Å | Aromatic |
| N11 | C12 | doub | 1.32Å | 1.37Å | Aromatic |
| C14 | C13 | doub | 1.39Å | 1.39Å | Aromatic |
| N5 | C4 | doub | 1.32Å | 1.35Å | Aromatic |
| C2 | C3 | doub | 1.39Å | 1.40Å | Aromatic |
| C12 | C13 | sing | 1.38Å | 1.40Å | Aromatic |
| C4 | C3 | sing | 1.38Å | 1.41Å | Aromatic |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C3 | H2 | sing | 1.08Å | 1.08Å | |
| C13 | H3 | sing | 1.08Å | 1.08Å | |
| C15 | H4 | sing | 1.08Å | 1.08Å | |
| C14 | H5 | sing | 1.08Å | 1.08Å | |
| C2 | H6 | sing | 1.08Å | 1.08Å | |
| C8 | H7 | sing | 1.09Å | 1.10Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| C7 | H9 | sing | 1.09Å | 1.10Å | |
| C7 | H10 | sing | 1.09Å | 1.10Å | |
| C9 | H11 | sing | 1.09Å | 1.10Å | |
| C9 | H12 | sing | 1.09Å | 1.10Å | |
| C12 | H13 | sing | 1.08Å | 1.08Å | |
| C4 | H14 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C9 | C8 | C7 | 120.8° | 109.4° |
| C8 | C9 | C10 | 115.7° | 109.5° |
| C9 | C8 | H7 | 106.6° | 109.4° |
| C9 | C8 | H8 | 106.5° | 109.5° |
| C8 | C9 | H11 | 107.9° | 109.5° |
| C8 | C9 | H12 | 107.9° | 109.5° |
| C8 | C7 | C6 | 107.8° | 109.4° |
| C7 | C8 | H7 | 106.6° | 109.5° |
| C7 | C8 | H8 | 106.6° | 109.5° |
| C8 | C7 | H9 | 109.9° | 109.5° |
| C8 | C7 | H10 | 109.9° | 109.4° |
| C9 | C10 | C15 | 112.2° | 119.6° |
| C9 | C10 | N11 | 125.2° | 119.7° |
| C10 | C9 | H11 | 107.9° | 109.4° |
| C10 | C9 | H12 | 107.9° | 109.4° |
| C7 | C6 | C1 | 116.7° | 119.6° |
| C7 | C6 | N5 | 123.0° | 119.6° |
| C6 | C7 | H9 | 109.9° | 109.5° |
| C6 | C7 | H10 | 109.9° | 109.5° |
| C10 | C15 | C14 | 119.6° | 119.2° |
| C15 | C10 | N11 | 122.7° | 120.7° |
| C10 | C15 | H4 | 120.2° | 120.4° |
| C15 | C14 | C13 | 119.0° | 118.4° |
| C14 | C15 | H4 | 120.2° | 120.4° |
| C15 | C14 | H5 | 120.5° | 120.8° |
| C10 | N11 | C12 | 115.5° | 121.7° |
| C1 | C6 | N5 | 120.3° | 120.7° |
| C6 | C1 | C2 | 118.6° | 119.2° |
| C6 | C1 | H1 | 120.7° | 120.4° |
| C6 | N5 | C4 | 121.9° | 121.8° |
| C1 | C2 | C3 | 120.3° | 118.4° |
| C2 | C1 | H1 | 120.7° | 120.5° |
| C1 | C2 | H6 | 119.8° | 120.8° |
| N11 | C12 | C13 | 123.2° | 120.8° |
| N11 | C12 | H13 | 118.4° | 119.6° |
| C14 | C13 | C12 | 120.0° | 119.2° |
| C14 | C13 | H3 | 120.0° | 120.4° |
| C13 | C14 | H5 | 120.5° | 120.8° |
| N5 | C4 | C3 | 118.8° | 120.7° |
| N5 | C4 | H14 | 120.6° | 119.6° |
| C2 | C3 | C4 | 120.1° | 119.2° |
| C2 | C3 | H2 | 119.9° | 120.4° |
| C3 | C2 | H6 | 119.9° | 120.8° |
| C12 | C13 | H3 | 120.0° | 120.4° |
| C13 | C12 | H13 | 118.4° | 119.6° |
| C4 | C3 | H2 | 120.0° | 120.4° |
| C3 | C4 | H14 | 120.6° | 119.6° |
| H7 | C8 | H8 | 109.5° | 109.5° |
| H9 | C7 | H10 | 109.5° | 109.5° |
| H11 | C9 | H12 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C9 | C8 | C7 | H7 | 121.6° | 119.9° |
| C9 | C8 | C7 | H8 | 121.6° | 120.0° |
| C8 | C9 | C10 | H11 | 120.9° | 120.0° |
| C8 | C9 | C10 | H12 | 120.9° | 120.0° |
| C9 | C8 | C7 | C6 | 69.6° | 180.0° |
| C8 | C9 | C10 | C15 | 130.4° | 125.0° |
| C8 | C9 | C10 | N11 | 50.2° | 54.7° |
| C9 | C8 | H7 | H8 | 114.8° | 120.0° |
| C9 | C8 | C7 | H9 | 50.1° | 60.0° |
| C9 | C8 | C7 | H10 | 170.7° | 60.0° |
| C8 | C9 | H11 | H12 | 117.1° | 120.1° |
| C7 | C8 | C9 | C10 | 66.8° | 180.0° |
| C8 | C7 | C6 | H9 | 119.7° | 120.0° |
| C8 | C7 | C6 | H10 | 119.7° | 120.0° |
| C8 | C7 | C6 | C1 | 112.8° | 125.0° |
| C8 | C7 | C6 | N5 | 65.9° | 55.0° |
| C7 | C8 | H7 | H8 | 114.9° | 120.1° |
| C8 | C7 | H9 | H10 | 120.8° | 120.0° |
| C7 | C8 | C9 | H11 | 172.3° | 60.1° |
| C7 | C8 | C9 | H12 | 54.1° | 60.0° |
| C9 | C10 | C15 | N11 | 179.4° | 179.7° |
| C9 | C10 | C15 | C14 | 178.8° | 180.0° |
| C9 | C10 | N11 | C12 | 179.4° | 180.0° |
| C9 | C10 | C15 | H4 | 1.2° | 0.3° |
| C10 | C9 | C8 | H7 | 171.6° | 60.0° |
| C10 | C9 | C8 | H8 | 54.7° | 60.0° |
| C10 | C9 | H11 | H12 | 117.2° | 120.0° |
| C7 | C6 | C1 | N5 | 178.7° | 180.0° |
| C7 | C6 | C1 | C2 | 178.3° | 180.0° |
| C7 | C6 | N5 | C4 | 176.8° | 180.0° |
| C7 | C6 | C1 | H1 | 1.7° | 0.3° |
| C6 | C7 | C8 | H7 | 168.8° | 60.0° |
| C6 | C7 | C8 | H8 | 52.0° | 60.0° |
| C6 | C7 | H9 | H10 | 120.8° | 120.1° |
| C10 | C15 | C14 | H4 | 180.0° | 179.7° |
| C15 | C10 | N11 | C12 | 1.2° | 0.3° |
| C10 | C15 | C14 | C13 | 1.0° | 0.0° |
| C10 | C15 | C14 | H5 | 179.0° | 180.0° |
| C15 | C10 | C9 | H11 | 108.7° | 5.0° |
| C15 | C10 | C9 | H12 | 9.5° | 115.0° |
| C14 | C15 | C10 | N11 | 0.6° | 0.3° |
| C15 | C14 | C13 | H5 | 180.0° | 180.0° |
| C15 | C14 | C13 | C12 | 0.6° | 0.2° |
| C15 | C14 | C13 | H3 | 179.5° | 180.0° |
| C10 | N11 | C12 | C13 | 2.9° | 0.0° |
| N11 | C10 | C15 | H4 | 179.4° | 180.0° |
| N11 | C10 | C9 | H11 | 70.7° | 174.7° |
| N11 | C10 | C9 | H12 | 171.1° | 65.3° |
| C10 | N11 | C12 | H13 | 177.1° | 180.0° |
| C6 | C1 | C2 | H1 | 180.0° | 179.7° |
| C1 | C6 | N5 | C4 | 1.8° | 0.0° |
| C6 | C1 | C2 | C3 | 0.0° | 0.3° |
| C6 | C1 | C2 | H6 | 179.9° | 179.7° |
| C1 | C6 | C7 | H9 | 7.0° | 5.0° |
| C1 | C6 | C7 | H10 | 127.5° | 115.0° |
| N5 | C6 | C1 | C2 | 0.4° | 0.0° |
| C6 | N5 | C4 | C3 | 2.8° | 0.2° |
| N5 | C6 | C1 | H1 | 179.6° | 179.7° |
| N5 | C6 | C7 | H9 | 174.4° | 175.0° |
| N5 | C6 | C7 | H10 | 53.8° | 65.0° |
| C6 | N5 | C4 | H14 | 177.2° | 179.7° |
| C1 | C2 | C3 | H6 | 180.0° | 180.0° |
| C1 | C2 | C3 | C4 | 0.9° | 0.5° |
| C1 | C2 | C3 | H2 | 179.1° | 180.0° |
| N11 | C12 | C13 | C14 | 2.7° | 0.2° |
| N11 | C12 | C13 | H13 | 180.0° | 180.0° |
| N11 | C12 | C13 | H3 | 177.4° | 180.0° |
| C14 | C13 | C12 | H3 | 180.0° | 179.8° |
| C13 | C14 | C15 | H4 | 179.0° | 179.7° |
| C14 | C13 | C12 | H13 | 177.4° | 179.8° |
| N5 | C4 | C3 | C2 | 2.3° | 0.5° |
| N5 | C4 | C3 | H14 | 180.0° | 179.9° |
| N5 | C4 | C3 | H2 | 177.7° | 180.0° |
| C2 | C3 | C4 | H2 | 180.0° | 179.5° |
| C3 | C2 | C1 | H1 | 180.0° | 180.0° |
| C2 | C3 | C4 | H14 | 177.7° | 179.4° |
| C12 | C13 | C14 | H5 | 179.4° | 179.8° |
| C4 | C3 | C2 | H6 | 179.1° | 179.5° |
| H1 | C1 | C2 | H6 | 0.1° | 0.0° |
| H2 | C3 | C2 | H6 | 0.9° | 0.0° |
| H2 | C3 | C4 | H14 | 2.3° | 0.1° |
| H3 | C13 | C14 | H5 | 0.5° | 0.0° |
| H3 | C13 | C12 | H13 | 2.6° | 0.0° |
| H4 | C15 | C14 | H5 | 1.0° | 0.2° |
| H7 | C8 | C7 | H9 | 71.4° | 60.0° |
| H7 | C8 | C7 | H10 | 49.1° | 179.9° |
| H7 | C8 | C9 | H11 | 50.7° | 180.0° |
| H7 | C8 | C9 | H12 | 67.5° | 60.0° |
| H8 | C8 | C7 | H9 | 171.7° | 180.0° |
| H8 | C8 | C7 | H10 | 67.8° | 60.0° |
| H8 | C8 | C9 | H11 | 66.1° | 60.0° |
| H8 | C8 | C9 | H12 | 175.7° | 180.0° |
