F0V
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C | C1 | sing | 1.51Å | 1.51Å | |
| CL | C6 | sing | 1.74Å | 1.73Å | |
| C1 | C6 | doub | 1.38Å | 1.40Å | Aromatic |
| C1 | C2 | sing | 1.38Å | 1.40Å | Aromatic |
| C6 | C5 | sing | 1.38Å | 1.38Å | Aromatic |
| C2 | C3 | doub | 1.38Å | 1.39Å | Aromatic |
| C5 | C4 | doub | 1.39Å | 1.39Å | Aromatic |
| C3 | C4 | sing | 1.39Å | 1.39Å | Aromatic |
| C4 | N | sing | 1.40Å | 1.42Å | |
| N | C7 | sing | 1.39Å | 1.39Å | |
| C8 | C7 | doub | 1.39Å | 1.38Å | Aromatic |
| C8 | C9 | sing | 1.39Å | 1.40Å | Aromatic |
| C7 | N4 | sing | 1.34Å | 1.37Å | Aromatic |
| C17 | C16 | doub | 1.38Å | 1.38Å | Aromatic |
| C17 | C18 | sing | 1.38Å | 1.38Å | Aromatic |
| C16 | C15 | sing | 1.38Å | 1.39Å | Aromatic |
| C10 | C9 | sing | 1.51Å | 1.49Å | |
| C9 | N1 | doub | 1.32Å | 1.33Å | Aromatic |
| C18 | C19 | doub | 1.38Å | 1.39Å | Aromatic |
| N4 | N3 | sing | 1.40Å | 1.38Å | Aromatic |
| N4 | C11 | doub | 1.33Å | 1.38Å | Aromatic |
| C15 | C14 | doub | 1.38Å | 1.39Å | Aromatic |
| N3 | C12 | doub | 1.30Å | 1.33Å | Aromatic |
| N1 | C11 | sing | 1.33Å | 1.34Å | Aromatic |
| C11 | N2 | sing | 1.38Å | 1.33Å | Aromatic |
| C19 | C14 | sing | 1.38Å | 1.39Å | Aromatic |
| C14 | C13 | sing | 1.51Å | 1.51Å | |
| C12 | N2 | sing | 1.36Å | 1.37Å | Aromatic |
| C12 | C13 | sing | 1.51Å | 1.50Å | |
| C2 | H1 | sing | 1.08Å | 1.08Å | |
| C3 | H2 | sing | 1.08Å | 1.08Å | |
| C13 | H3 | sing | 1.09Å | 1.10Å | |
| C13 | H4 | sing | 1.09Å | 1.10Å | |
| C15 | H5 | sing | 1.08Å | 1.08Å | |
| C16 | H6 | sing | 1.08Å | 1.08Å | |
| C17 | H7 | sing | 1.08Å | 1.08Å | |
| C18 | H8 | sing | 1.08Å | 1.08Å | |
| C19 | H9 | sing | 1.08Å | 1.08Å | |
| C | H10 | sing | 1.09Å | 1.10Å | |
| C | H11 | sing | 1.09Å | 1.10Å | |
| C | H12 | sing | 1.09Å | 1.10Å | |
| C5 | H13 | sing | 1.08Å | 1.08Å | |
| N | H14 | sing | 0.97Å | 1.00Å | |
| C10 | H15 | sing | 1.09Å | 1.10Å | |
| C10 | H16 | sing | 1.09Å | 1.10Å | |
| C10 | H17 | sing | 1.09Å | 1.10Å | |
| C8 | H18 | sing | 1.08Å | 1.08Å | |
| N2 | H19 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C | C1 | C6 | 122.8° | 120.0° |
| C | C1 | C2 | 120.7° | 119.9° |
| C1 | C | H10 | 109.5° | 109.4° |
| C1 | C | H11 | 109.5° | 109.5° |
| C1 | C | H12 | 109.5° | 109.5° |
| CL | C6 | C1 | 119.4° | 119.9° |
| CL | C6 | C5 | 117.9° | 120.0° |
| C6 | C1 | C2 | 116.5° | 120.1° |
| C1 | C6 | C5 | 122.5° | 120.1° |
| C1 | C2 | C3 | 121.9° | 120.0° |
| C1 | C2 | H1 | 119.0° | 120.0° |
| C6 | C5 | C4 | 119.4° | 119.9° |
| C6 | C5 | H13 | 120.3° | 120.1° |
| C2 | C3 | C4 | 120.2° | 120.0° |
| C3 | C2 | H1 | 119.1° | 119.9° |
| C2 | C3 | H2 | 119.9° | 120.0° |
| C5 | C4 | C3 | 119.4° | 119.9° |
| C5 | C4 | N | 120.5° | 120.0° |
| C4 | C5 | H13 | 120.3° | 120.0° |
| C3 | C4 | N | 120.1° | 120.1° |
| C4 | C3 | H2 | 119.9° | 120.0° |
| C4 | N | C7 | 127.0° | 120.0° |
| C4 | N | H14 | 116.5° | 120.0° |
| N | C7 | C8 | 124.8° | 120.5° |
| N | C7 | N4 | 119.8° | 120.5° |
| C7 | N | H14 | 116.5° | 120.0° |
| C7 | C8 | C9 | 120.5° | 118.6° |
| C8 | C7 | N4 | 115.2° | 119.0° |
| C7 | C8 | H18 | 119.8° | 120.7° |
| C8 | C9 | C10 | 120.4° | 120.2° |
| C8 | C9 | N1 | 122.9° | 119.6° |
| C9 | C8 | H18 | 119.8° | 120.7° |
| C7 | N4 | N3 | 128.1° | 131.9° |
| C7 | N4 | C11 | 121.9° | 120.5° |
| C16 | C17 | C18 | 119.7° | 120.0° |
| C17 | C16 | C15 | 120.2° | 120.0° |
| C17 | C16 | H6 | 119.9° | 120.0° |
| C16 | C17 | H7 | 120.2° | 120.0° |
| C17 | C18 | C19 | 120.2° | 120.0° |
| C18 | C17 | H7 | 120.1° | 120.0° |
| C17 | C18 | H8 | 119.9° | 120.0° |
| C16 | C15 | C14 | 120.6° | 120.0° |
| C16 | C15 | H5 | 119.7° | 120.0° |
| C15 | C16 | H6 | 119.9° | 120.0° |
| C10 | C9 | N1 | 116.6° | 120.2° |
| C9 | C10 | H15 | 109.5° | 109.5° |
| C9 | C10 | H16 | 109.5° | 109.5° |
| C9 | C10 | H17 | 109.5° | 109.5° |
| C9 | N1 | C11 | 116.6° | 121.1° |
| C18 | C19 | C14 | 120.7° | 120.0° |
| C19 | C18 | H8 | 119.9° | 120.0° |
| C18 | C19 | H9 | 119.6° | 120.1° |
| N3 | N4 | C11 | 110.0° | 107.7° |
| N4 | N3 | C12 | 101.8° | 108.3° |
| N4 | C11 | N1 | 122.8° | 121.2° |
| N4 | C11 | N2 | 108.9° | 107.2° |
| C15 | C14 | C19 | 118.5° | 120.0° |
| C15 | C14 | C13 | 120.5° | 120.0° |
| C14 | C15 | H5 | 119.7° | 120.0° |
| N3 | C12 | N2 | 115.8° | 108.8° |
| N3 | C12 | C13 | 123.8° | 125.6° |
| N1 | C11 | N2 | 128.2° | 131.6° |
| C11 | N2 | C12 | 103.4° | 108.1° |
| C11 | N2 | H19 | 128.3° | 125.9° |
| C19 | C14 | C13 | 120.6° | 120.0° |
| C14 | C19 | H9 | 119.6° | 120.0° |
| C14 | C13 | C12 | 111.2° | 109.5° |
| C14 | C13 | H3 | 109.0° | 109.5° |
| C14 | C13 | H4 | 109.0° | 109.5° |
| N2 | C12 | C13 | 120.4° | 125.6° |
| C12 | N2 | H19 | 128.3° | 126.0° |
| C12 | C13 | H3 | 109.0° | 109.4° |
| C12 | C13 | H4 | 109.0° | 109.5° |
| H3 | C13 | H4 | 109.5° | 109.4° |
| H10 | C | H11 | 109.5° | 109.4° |
| H10 | C | H12 | 109.5° | 109.5° |
| H11 | C | H12 | 109.5° | 109.5° |
| H15 | C10 | H16 | 109.5° | 109.4° |
| H15 | C10 | H17 | 109.5° | 109.5° |
| H16 | C10 | H17 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C | C1 | C6 | CL | 10.0° | 0.3° |
| C | C1 | C6 | C2 | 177.8° | 179.8° |
| C | C1 | C6 | C5 | 175.1° | 179.7° |
| C | C1 | C2 | C3 | 177.1° | 179.7° |
| C | C1 | C2 | H1 | 2.9° | 0.2° |
| C1 | C | H10 | H11 | 120.0° | 120.0° |
| C1 | C | H10 | H12 | 120.0° | 120.0° |
| C1 | C | H11 | H12 | 120.0° | 120.0° |
| CL | C6 | C1 | C5 | 174.9° | 180.0° |
| CL | C6 | C1 | C2 | 172.2° | 179.9° |
| CL | C6 | C5 | C4 | 171.6° | 180.0° |
| CL | C6 | C5 | H13 | 8.4° | 0.0° |
| C6 | C1 | C2 | C3 | 0.7° | 0.1° |
| C1 | C6 | C5 | C4 | 3.4° | 0.0° |
| C6 | C1 | C2 | H1 | 179.3° | 180.0° |
| C6 | C1 | C | H10 | 88.8° | 90.0° |
| C6 | C1 | C | H11 | 151.2° | 150.0° |
| C6 | C1 | C | H12 | 31.2° | 30.0° |
| C1 | C6 | C5 | H13 | 176.6° | 180.0° |
| C2 | C1 | C6 | C5 | 2.7° | 0.0° |
| C1 | C2 | C3 | H1 | 180.0° | 179.9° |
| C1 | C2 | C3 | C4 | 0.4° | 0.1° |
| C1 | C2 | C3 | H2 | 179.6° | 180.0° |
| C2 | C1 | C | H10 | 88.9° | 89.8° |
| C2 | C1 | C | H11 | 31.1° | 30.2° |
| C2 | C1 | C | H12 | 151.1° | 150.2° |
| C6 | C5 | C4 | H13 | 180.0° | 180.0° |
| C6 | C5 | C4 | C3 | 2.1° | 0.0° |
| C6 | C5 | C4 | N | 174.4° | 180.0° |
| C2 | C3 | C4 | C5 | 0.3° | 0.0° |
| C2 | C3 | C4 | H2 | 180.0° | 179.9° |
| C2 | C3 | C4 | N | 176.2° | 180.0° |
| C5 | C4 | C3 | N | 176.5° | 180.0° |
| C5 | C4 | N | C7 | 58.8° | 41.8° |
| C5 | C4 | C3 | H2 | 179.7° | 180.0° |
| C5 | C4 | N | H14 | 121.2° | 138.2° |
| C3 | C4 | N | C7 | 117.7° | 138.2° |
| C4 | C3 | C2 | H1 | 179.6° | 180.0° |
| C3 | C4 | C5 | H13 | 177.9° | 180.0° |
| C3 | C4 | N | H14 | 62.3° | 41.9° |
| C4 | N | C7 | H14 | 180.0° | 180.0° |
| C4 | N | C7 | C8 | 7.7° | 7.8° |
| C4 | N | C7 | N4 | 166.9° | 172.1° |
| N | C4 | C3 | H2 | 3.8° | 0.0° |
| N | C4 | C5 | H13 | 5.6° | 0.0° |
| N | C7 | C8 | N4 | 174.8° | 179.9° |
| N | C7 | C8 | C9 | 171.5° | 179.7° |
| N | C7 | N4 | N3 | 9.5° | 0.0° |
| N | C7 | N4 | C11 | 173.0° | 180.0° |
| N | C7 | C8 | H18 | 8.5° | 0.1° |
| C7 | C8 | C9 | H18 | 180.0° | 179.6° |
| C7 | C8 | C9 | C10 | 174.4° | 179.6° |
| C7 | C8 | C9 | N1 | 2.3° | 0.4° |
| C8 | C7 | N4 | N3 | 175.5° | 179.9° |
| C8 | C7 | N4 | C11 | 2.0° | 0.1° |
| C8 | C7 | N | H14 | 172.3° | 172.2° |
| C9 | C8 | C7 | N4 | 3.3° | 0.4° |
| C8 | C9 | C10 | N1 | 176.9° | 180.0° |
| C8 | C9 | N1 | C11 | 0.3° | 0.0° |
| C8 | C9 | C10 | H15 | 176.9° | 90.0° |
| C8 | C9 | C10 | H16 | 56.9° | 29.9° |
| C8 | C9 | C10 | H17 | 63.1° | 150.0° |
| C7 | N4 | N3 | C11 | 177.8° | 180.0° |
| C7 | N4 | N3 | C12 | 177.5° | 180.0° |
| C7 | N4 | C11 | N1 | 0.5° | 0.3° |
| C7 | N4 | C11 | N2 | 177.5° | 180.0° |
| N4 | C7 | N | H14 | 13.1° | 7.9° |
| N4 | C7 | C8 | H18 | 176.7° | 180.0° |
| C16 | C17 | C18 | H7 | 180.0° | 180.0° |
| C17 | C16 | C15 | H6 | 180.0° | 180.0° |
| C16 | C17 | C18 | C19 | 0.8° | 0.3° |
| C17 | C16 | C15 | C14 | 1.0° | 0.1° |
| C17 | C16 | C15 | H5 | 179.0° | 180.0° |
| C16 | C17 | C18 | H8 | 179.2° | 180.0° |
| C18 | C17 | C16 | C15 | 0.6° | 0.0° |
| C17 | C18 | C19 | H8 | 180.0° | 179.8° |
| C17 | C18 | C19 | C14 | 0.6° | 0.5° |
| C18 | C17 | C16 | H6 | 179.4° | 180.0° |
| C17 | C18 | C19 | H9 | 179.4° | 180.0° |
| C16 | C15 | C14 | H5 | 180.0° | 179.9° |
| C16 | C15 | C14 | C19 | 2.5° | 0.3° |
| C16 | C15 | C14 | C13 | 170.5° | 179.9° |
| C15 | C16 | C17 | H7 | 179.3° | 180.0° |
| C10 | C9 | N1 | C11 | 177.1° | 180.0° |
| C9 | C10 | H15 | H16 | 120.0° | 120.0° |
| C9 | C10 | H15 | H17 | 120.0° | 120.0° |
| C9 | C10 | H16 | H17 | 120.0° | 120.1° |
| C10 | C9 | C8 | H18 | 5.6° | 0.1° |
| C9 | N1 | C11 | N4 | 1.7° | 0.3° |
| C9 | N1 | C11 | N2 | 175.9° | 180.0° |
| N1 | C9 | C10 | H15 | 0.0° | 90.0° |
| N1 | C9 | C10 | H16 | 120.0° | 150.0° |
| N1 | C9 | C10 | H17 | 120.0° | 30.0° |
| N1 | C9 | C8 | H18 | 177.7° | 180.0° |
| C18 | C19 | C14 | C15 | 2.3° | 0.6° |
| C18 | C19 | C14 | H9 | 180.0° | 179.5° |
| C18 | C19 | C14 | C13 | 170.7° | 179.7° |
| C19 | C18 | C17 | H7 | 179.2° | 179.8° |
| N3 | N4 | C11 | N1 | 178.4° | 179.7° |
| N3 | N4 | C11 | N2 | 0.4° | 0.0° |
| N4 | N3 | C12 | N2 | 0.1° | 0.0° |
| N4 | N3 | C12 | C13 | 177.7° | 179.9° |
| C11 | N4 | N3 | C12 | 0.2° | 0.0° |
| N4 | C11 | N1 | N2 | 177.6° | 179.7° |
| N4 | C11 | N2 | C12 | 0.4° | 0.0° |
| N4 | C11 | N2 | H19 | 179.5° | 180.0° |
| C15 | C14 | C19 | C13 | 173.0° | 179.7° |
| C15 | C14 | C13 | C12 | 86.9° | 90.0° |
| C15 | C14 | C13 | H3 | 33.4° | 30.0° |
| C15 | C14 | C13 | H4 | 152.8° | 150.0° |
| C14 | C15 | C16 | H6 | 179.0° | 180.0° |
| C15 | C14 | C19 | H9 | 177.7° | 179.9° |
| N3 | C12 | N2 | C11 | 0.3° | 0.0° |
| N3 | C12 | C13 | C14 | 63.4° | 54.9° |
| N3 | C12 | N2 | C13 | 177.8° | 179.9° |
| N3 | C12 | C13 | H3 | 56.9° | 65.1° |
| N3 | C12 | C13 | H4 | 176.3° | 175.0° |
| N3 | C12 | N2 | H19 | 179.7° | 180.0° |
| N1 | C11 | N2 | C12 | 178.3° | 179.7° |
| N1 | C11 | N2 | H19 | 1.7° | 0.3° |
| C11 | N2 | C12 | H19 | 180.0° | 180.0° |
| C11 | N2 | C12 | C13 | 177.5° | 179.9° |
| C19 | C14 | C13 | C12 | 85.9° | 90.3° |
| C19 | C14 | C13 | H3 | 153.8° | 149.7° |
| C19 | C14 | C13 | H4 | 34.3° | 29.8° |
| C19 | C14 | C15 | H5 | 177.5° | 179.7° |
| C14 | C19 | C18 | H8 | 179.3° | 179.7° |
| C14 | C13 | C12 | N2 | 114.2° | 125.0° |
| C14 | C13 | C12 | H3 | 120.3° | 120.0° |
| C14 | C13 | C12 | H4 | 120.3° | 120.1° |
| C14 | C13 | H3 | H4 | 119.2° | 120.1° |
| C13 | C14 | C15 | H5 | 9.5° | 0.0° |
| C13 | C14 | C19 | H9 | 9.3° | 0.2° |
| N2 | C12 | C13 | H3 | 125.5° | 115.0° |
| N2 | C12 | C13 | H4 | 6.0° | 4.9° |
| C12 | C13 | H3 | H4 | 119.2° | 120.0° |
| C13 | C12 | N2 | H19 | 2.5° | 0.1° |
| H1 | C2 | C3 | H2 | 0.4° | 0.1° |
| H5 | C15 | C16 | H6 | 1.1° | 0.1° |
| H6 | C16 | C17 | H7 | 0.7° | 0.0° |
| H7 | C17 | C18 | H8 | 0.8° | 0.0° |
| H8 | C18 | C19 | H9 | 0.7° | 0.2° |
| H10 | C | H11 | H12 | 120.0° | 120.0° |
| H15 | C10 | H16 | H17 | 120.0° | 120.0° |
