7IV
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CL7 | C3 | sing | 1.74Å | 1.86Å | |
| C5 | C3 | doub | 1.38Å | 1.38Å | Aromatic |
| C5 | C6 | sing | 1.38Å | 1.37Å | Aromatic |
| C3 | C1 | sing | 1.38Å | 1.37Å | Aromatic |
| C6 | C4 | doub | 1.39Å | 1.39Å | Aromatic |
| C1 | C2 | doub | 1.38Å | 1.38Å | Aromatic |
| O10 | C9 | doub | 1.21Å | 1.20Å | |
| C4 | C2 | sing | 1.39Å | 1.37Å | Aromatic |
| C4 | N8 | sing | 1.40Å | 1.48Å | |
| C9 | N8 | sing | 1.35Å | 1.47Å | |
| C9 | C11 | sing | 1.51Å | 1.59Å | |
| C11 | O12 | sing | 1.43Å | 1.43Å | |
| O12 | C13 | sing | 1.43Å | 1.35Å | |
| C13 | C14 | sing | 1.51Å | 1.55Å | |
| C15 | C14 | doub | 1.38Å | 1.38Å | Aromatic |
| C15 | C17 | sing | 1.38Å | 1.44Å | Aromatic |
| C14 | C16 | sing | 1.38Å | 1.42Å | Aromatic |
| C17 | C19 | doub | 1.38Å | 1.41Å | Aromatic |
| C16 | C18 | doub | 1.38Å | 1.44Å | Aromatic |
| C19 | C18 | sing | 1.38Å | 1.39Å | Aromatic |
| C5 | H1 | sing | 1.08Å | 1.08Å | |
| C6 | H2 | sing | 1.08Å | 1.08Å | |
| C11 | H3 | sing | 1.09Å | 1.10Å | |
| C11 | H4 | sing | 1.09Å | 1.10Å | |
| C13 | H5 | sing | 1.09Å | 1.10Å | |
| C13 | H6 | sing | 1.09Å | 1.10Å | |
| C1 | H7 | sing | 1.08Å | 1.08Å | |
| C15 | H8 | sing | 1.08Å | 1.08Å | |
| C16 | H9 | sing | 1.08Å | 1.08Å | |
| C17 | H10 | sing | 1.08Å | 1.08Å | |
| C18 | H11 | sing | 1.08Å | 1.08Å | |
| C19 | H12 | sing | 1.08Å | 1.08Å | |
| C2 | H13 | sing | 1.08Å | 1.08Å | |
| N8 | H14 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CL7 | C3 | C5 | 120.0° | 120.0° |
| CL7 | C3 | C1 | 119.6° | 119.9° |
| C3 | C5 | C6 | 120.2° | 120.1° |
| C5 | C3 | C1 | 120.4° | 120.1° |
| C3 | C5 | H1 | 119.9° | 119.9° |
| C5 | C6 | C4 | 119.4° | 120.0° |
| C6 | C5 | H1 | 119.9° | 120.0° |
| C5 | C6 | H2 | 120.3° | 120.0° |
| C3 | C1 | C2 | 119.7° | 120.1° |
| C3 | C1 | H7 | 120.2° | 120.0° |
| C6 | C4 | C2 | 120.2° | 119.8° |
| C6 | C4 | N8 | 121.7° | 120.1° |
| C4 | C6 | H2 | 120.3° | 120.0° |
| C1 | C2 | C4 | 120.1° | 120.0° |
| C2 | C1 | H7 | 120.1° | 120.0° |
| C1 | C2 | H13 | 120.0° | 120.1° |
| O10 | C9 | N8 | 121.8° | 120.0° |
| O10 | C9 | C11 | 120.3° | 120.0° |
| C2 | C4 | N8 | 118.0° | 120.1° |
| C4 | C2 | H13 | 119.9° | 120.0° |
| C4 | N8 | C9 | 124.1° | 120.0° |
| C4 | N8 | H14 | 117.9° | 120.0° |
| N8 | C9 | C11 | 118.0° | 120.0° |
| C9 | N8 | H14 | 118.0° | 120.0° |
| C9 | C11 | O12 | 107.5° | 109.5° |
| C9 | C11 | H3 | 110.0° | 109.5° |
| C9 | C11 | H4 | 110.0° | 109.5° |
| C11 | O12 | C13 | 115.1° | 114.0° |
| O12 | C11 | H3 | 109.9° | 109.4° |
| O12 | C11 | H4 | 110.0° | 109.5° |
| O12 | C13 | C14 | 108.8° | 109.5° |
| O12 | C13 | H5 | 109.6° | 109.5° |
| O12 | C13 | H6 | 109.6° | 109.5° |
| C13 | C14 | C15 | 120.1° | 120.0° |
| C13 | C14 | C16 | 120.2° | 120.0° |
| C14 | C13 | H5 | 109.6° | 109.5° |
| C14 | C13 | H6 | 109.6° | 109.5° |
| C14 | C15 | C17 | 120.1° | 120.0° |
| C15 | C14 | C16 | 119.8° | 120.0° |
| C14 | C15 | H8 | 119.9° | 120.0° |
| C15 | C17 | C19 | 120.2° | 120.0° |
| C17 | C15 | H8 | 119.9° | 120.0° |
| C15 | C17 | H10 | 119.9° | 120.0° |
| C14 | C16 | C18 | 120.1° | 120.0° |
| C14 | C16 | H9 | 120.0° | 120.0° |
| C17 | C19 | C18 | 119.8° | 120.0° |
| C19 | C17 | H10 | 119.9° | 120.0° |
| C17 | C19 | H12 | 120.1° | 120.0° |
| C16 | C18 | C19 | 120.1° | 120.0° |
| C18 | C16 | H9 | 120.0° | 120.0° |
| C16 | C18 | H11 | 120.0° | 120.0° |
| C19 | C18 | H11 | 120.0° | 120.0° |
| C18 | C19 | H12 | 120.1° | 120.0° |
| H3 | C11 | H4 | 109.5° | 109.4° |
| H5 | C13 | H6 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CL7 | C3 | C5 | C1 | 180.0° | 179.7° |
| CL7 | C3 | C5 | C6 | 179.9° | 180.0° |
| CL7 | C3 | C1 | C2 | 180.0° | 179.8° |
| CL7 | C3 | C5 | H1 | 0.1° | 0.3° |
| CL7 | C3 | C1 | H7 | 0.0° | 0.3° |
| C3 | C5 | C6 | H1 | 180.0° | 179.8° |
| C3 | C5 | C6 | C4 | 0.3° | 0.0° |
| C5 | C3 | C1 | C2 | 0.0° | 0.5° |
| C3 | C5 | C6 | H2 | 179.7° | 180.0° |
| C5 | C3 | C1 | H7 | 180.0° | 180.0° |
| C6 | C5 | C3 | C1 | 0.1° | 0.2° |
| C5 | C6 | C4 | H2 | 180.0° | 179.9° |
| C5 | C6 | C4 | C2 | 0.4° | 0.0° |
| C5 | C6 | C4 | N8 | 179.8° | 179.7° |
| C3 | C1 | C2 | H7 | 180.0° | 179.5° |
| C3 | C1 | C2 | C4 | 0.2° | 0.5° |
| C1 | C3 | C5 | H1 | 179.9° | 180.0° |
| C3 | C1 | C2 | H13 | 179.8° | 179.5° |
| C6 | C4 | C2 | C1 | 0.4° | 0.2° |
| C6 | C4 | C2 | N8 | 179.4° | 179.8° |
| C6 | C4 | N8 | C9 | 35.4° | 146.5° |
| C4 | C6 | C5 | H1 | 179.7° | 179.7° |
| C6 | C4 | C2 | H13 | 179.6° | 179.8° |
| C6 | C4 | N8 | H14 | 144.6° | 33.5° |
| C1 | C2 | C4 | H13 | 180.0° | 180.0° |
| C1 | C2 | C4 | N8 | 179.8° | 180.0° |
| O10 | C9 | N8 | C4 | 0.1° | 5.3° |
| O10 | C9 | N8 | C11 | 180.0° | 180.0° |
| O10 | C9 | C11 | O12 | 131.0° | 0.0° |
| O10 | C9 | C11 | H3 | 109.3° | 120.0° |
| O10 | C9 | C11 | H4 | 11.3° | 120.0° |
| O10 | C9 | N8 | H14 | 179.9° | 174.7° |
| C2 | C4 | N8 | C9 | 145.2° | 33.3° |
| C2 | C4 | C6 | H2 | 179.6° | 180.0° |
| C4 | C2 | C1 | H7 | 179.8° | 180.0° |
| C2 | C4 | N8 | H14 | 34.8° | 146.7° |
| C4 | N8 | C9 | H14 | 180.0° | 180.0° |
| C4 | N8 | C9 | C11 | 180.0° | 174.8° |
| N8 | C4 | C6 | H2 | 0.2° | 0.2° |
| N8 | C4 | C2 | H13 | 0.2° | 0.0° |
| N8 | C9 | C11 | O12 | 49.0° | 180.0° |
| N8 | C9 | C11 | H3 | 70.7° | 60.0° |
| N8 | C9 | C11 | H4 | 168.7° | 60.0° |
| C9 | C11 | O12 | H3 | 119.7° | 120.1° |
| C9 | C11 | O12 | H4 | 119.7° | 120.0° |
| C9 | C11 | O12 | C13 | 108.6° | 180.0° |
| C9 | C11 | H3 | H4 | 120.9° | 120.0° |
| C11 | C9 | N8 | H14 | 0.0° | 5.3° |
| C11 | O12 | C13 | C14 | 103.7° | 180.0° |
| O12 | C11 | H3 | H4 | 120.9° | 119.9° |
| C11 | O12 | C13 | H5 | 136.4° | 60.0° |
| C11 | O12 | C13 | H6 | 16.2° | 59.9° |
| O12 | C13 | C14 | H5 | 119.9° | 120.0° |
| O12 | C13 | C14 | H6 | 119.9° | 120.0° |
| O12 | C13 | C14 | C15 | 18.8° | 89.7° |
| O12 | C13 | C14 | C16 | 160.9° | 90.1° |
| C13 | O12 | C11 | H3 | 11.1° | 59.9° |
| C13 | O12 | C11 | H4 | 131.7° | 60.0° |
| O12 | C13 | H5 | H6 | 120.3° | 120.0° |
| C13 | C14 | C15 | C16 | 179.8° | 179.8° |
| C13 | C14 | C15 | C17 | 179.6° | 179.8° |
| C13 | C14 | C16 | C18 | 179.7° | 180.0° |
| C14 | C13 | H5 | H6 | 120.3° | 120.0° |
| C13 | C14 | C15 | H8 | 0.4° | 0.3° |
| C13 | C14 | C16 | H9 | 0.3° | 0.1° |
| C14 | C15 | C17 | H8 | 180.0° | 179.9° |
| C14 | C15 | C17 | C19 | 0.3° | 0.1° |
| C15 | C14 | C16 | C18 | 0.0° | 0.3° |
| C15 | C14 | C13 | H5 | 101.1° | 30.3° |
| C15 | C14 | C13 | H6 | 138.7° | 150.3° |
| C15 | C14 | C16 | H9 | 180.0° | 179.7° |
| C14 | C15 | C17 | H10 | 179.7° | 179.9° |
| C17 | C15 | C14 | C16 | 0.2° | 0.0° |
| C15 | C17 | C19 | H10 | 180.0° | 180.0° |
| C15 | C17 | C19 | C18 | 0.2° | 0.4° |
| C15 | C17 | C19 | H12 | 179.8° | 180.0° |
| C14 | C16 | C18 | H9 | 180.0° | 179.9° |
| C14 | C16 | C18 | C19 | 0.0° | 0.6° |
| C16 | C14 | C13 | H5 | 79.2° | 149.9° |
| C16 | C14 | C13 | H6 | 41.1° | 30.0° |
| C16 | C14 | C15 | H8 | 179.8° | 179.9° |
| C14 | C16 | C18 | H11 | 179.9° | 179.9° |
| C17 | C19 | C18 | C16 | 0.1° | 0.6° |
| C17 | C19 | C18 | H12 | 180.0° | 179.6° |
| C19 | C17 | C15 | H8 | 179.7° | 180.0° |
| C17 | C19 | C18 | H11 | 179.9° | 180.0° |
| C16 | C18 | C19 | H11 | 180.0° | 179.4° |
| C16 | C18 | C19 | H12 | 179.9° | 179.8° |
| C19 | C18 | C16 | H9 | 180.0° | 179.4° |
| C18 | C19 | C17 | H10 | 179.8° | 179.6° |
| H1 | C5 | C6 | H2 | 0.3° | 0.2° |
| H7 | C1 | C2 | H13 | 0.2° | 0.0° |
| H8 | C15 | C17 | H10 | 0.3° | 0.0° |
| H9 | C16 | C18 | H11 | 0.0° | 0.0° |
| H10 | C17 | C19 | H12 | 0.2° | 0.0° |
| H11 | C18 | C19 | H12 | 0.1° | 0.4° |
