V67
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C4 | C3 | sing | 1.38Å | 1.35Å | Aromatic |
| C4 | C5 | doub | 1.40Å | 1.39Å | Aromatic |
| O9 | C8 | doub | 1.22Å | 1.26Å | |
| C3 | C2 | doub | 1.39Å | 1.43Å | Aromatic |
| C25 | C24 | doub | 1.35Å | 1.37Å | Aromatic |
| C25 | N1 | sing | 1.37Å | 1.40Å | Aromatic |
| F14 | C13 | sing | 1.35Å | 1.36Å | |
| C8 | C5 | sing | 1.48Å | 1.43Å | |
| C8 | N10 | sing | 1.35Å | 1.37Å | |
| C5 | N6 | sing | 1.33Å | 1.36Å | Aromatic |
| C24 | N23 | sing | 1.34Å | 1.35Å | Aromatic |
| C2 | N1 | sing | 1.40Å | 1.35Å | |
| C2 | N7 | sing | 1.33Å | 1.33Å | Aromatic |
| N1 | C22 | sing | 1.36Å | 1.36Å | Aromatic |
| C12 | C13 | doub | 1.38Å | 1.36Å | Aromatic |
| C12 | C11 | sing | 1.39Å | 1.40Å | Aromatic |
| C13 | C15 | sing | 1.39Å | 1.43Å | Aromatic |
| N10 | C11 | sing | 1.39Å | 1.35Å | |
| N6 | N7 | doub | 1.28Å | 1.27Å | Aromatic |
| C11 | C18 | doub | 1.40Å | 1.42Å | Aromatic |
| N23 | C22 | doub | 1.31Å | 1.29Å | Aromatic |
| C15 | F16 | sing | 1.35Å | 1.34Å | |
| C15 | C17 | doub | 1.38Å | 1.39Å | Aromatic |
| C18 | C17 | sing | 1.40Å | 1.40Å | Aromatic |
| C18 | C19 | sing | 1.47Å | 1.52Å | |
| O21 | C19 | doub | 1.22Å | 1.18Å | |
| C19 | O20 | sing | 1.35Å | 1.29Å | |
| C4 | H1 | sing | 1.08Å | 1.08Å | |
| C17 | H2 | sing | 1.08Å | 1.08Å | |
| C22 | H3 | sing | 1.08Å | 1.08Å | |
| C24 | H4 | sing | 1.08Å | 1.08Å | |
| C3 | H5 | sing | 1.08Å | 1.08Å | |
| N10 | H6 | sing | 0.97Å | 1.00Å | |
| C12 | H7 | sing | 1.08Å | 1.08Å | |
| O20 | H8 | sing | 0.97Å | 0.95Å | |
| C25 | H9 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C3 | C4 | C5 | 118.8° | 117.9° |
| C4 | C3 | C2 | 118.0° | 118.1° |
| C3 | C4 | H1 | 120.6° | 121.1° |
| C4 | C3 | H5 | 121.0° | 121.0° |
| C4 | C5 | C8 | 120.0° | 120.1° |
| C4 | C5 | N6 | 121.2° | 119.8° |
| C5 | C4 | H1 | 120.6° | 121.0° |
| O9 | C8 | C5 | 118.6° | 120.0° |
| O9 | C8 | N10 | 124.7° | 120.0° |
| C3 | C2 | N1 | 122.8° | 120.0° |
| C3 | C2 | N7 | 117.9° | 120.0° |
| C2 | C3 | H5 | 121.0° | 121.0° |
| C24 | C25 | N1 | 108.6° | 106.8° |
| C25 | C24 | N23 | 106.1° | 108.3° |
| C25 | C24 | H4 | 126.9° | 125.9° |
| C24 | C25 | H9 | 125.7° | 126.6° |
| C25 | N1 | C2 | 131.0° | 126.5° |
| C25 | N1 | C22 | 103.8° | 107.0° |
| N1 | C25 | H9 | 125.7° | 126.6° |
| F14 | C13 | C12 | 122.8° | 119.8° |
| F14 | C13 | C15 | 115.8° | 119.8° |
| C5 | C8 | N10 | 116.7° | 120.0° |
| C8 | C5 | N6 | 118.5° | 120.1° |
| C8 | N10 | C11 | 128.4° | 119.9° |
| C8 | N10 | H6 | 115.8° | 120.1° |
| C5 | N6 | N7 | 118.5° | 122.1° |
| C24 | N23 | C22 | 110.0° | 109.4° |
| N23 | C24 | H4 | 126.9° | 125.9° |
| N1 | C2 | N7 | 119.2° | 120.0° |
| C2 | N1 | C22 | 125.2° | 126.5° |
| C2 | N7 | N6 | 125.3° | 122.2° |
| N1 | C22 | N23 | 111.5° | 108.5° |
| N1 | C22 | H3 | 124.2° | 125.7° |
| C13 | C12 | C11 | 121.7° | 120.1° |
| C12 | C13 | C15 | 121.4° | 120.3° |
| C13 | C12 | H7 | 119.2° | 119.9° |
| C12 | C11 | N10 | 124.5° | 120.2° |
| C12 | C11 | C18 | 117.0° | 119.7° |
| C11 | C12 | H7 | 119.2° | 120.0° |
| C13 | C15 | F16 | 120.8° | 119.9° |
| C13 | C15 | C17 | 118.4° | 120.3° |
| N10 | C11 | C18 | 118.3° | 120.1° |
| C11 | N10 | H6 | 115.8° | 120.0° |
| C11 | C18 | C17 | 121.8° | 119.7° |
| C11 | C18 | C19 | 116.8° | 120.2° |
| N23 | C22 | H3 | 124.3° | 125.7° |
| F16 | C15 | C17 | 120.8° | 119.9° |
| C15 | C17 | C18 | 119.6° | 119.9° |
| C15 | C17 | H2 | 120.2° | 120.0° |
| C17 | C18 | C19 | 121.2° | 120.2° |
| C18 | C17 | H2 | 120.2° | 120.1° |
| C18 | C19 | O21 | 127.7° | 120.0° |
| C18 | C19 | O20 | 114.6° | 120.0° |
| O21 | C19 | O20 | 117.7° | 120.0° |
| C19 | O20 | H8 | 109.5° | 117.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C3 | C4 | C5 | H1 | 180.0° | 179.7° |
| C4 | C3 | C2 | H5 | 180.0° | 179.9° |
| C3 | C4 | C5 | C8 | 175.7° | 179.9° |
| C3 | C4 | C5 | N6 | 1.8° | 0.0° |
| C4 | C3 | C2 | N1 | 179.8° | 180.0° |
| C4 | C3 | C2 | N7 | 2.5° | 0.1° |
| C4 | C5 | C8 | O9 | 5.8° | 0.0° |
| C5 | C4 | C3 | C2 | 0.7° | 0.0° |
| C4 | C5 | C8 | N6 | 174.0° | 180.0° |
| C4 | C5 | C8 | N10 | 172.1° | 180.0° |
| C4 | C5 | N6 | N7 | 0.4° | 0.0° |
| C5 | C4 | C3 | H5 | 179.3° | 180.0° |
| O9 | C8 | C5 | N10 | 178.0° | 180.0° |
| O9 | C8 | C5 | N6 | 179.9° | 180.0° |
| O9 | C8 | N10 | C11 | 3.9° | 4.4° |
| O9 | C8 | N10 | H6 | 176.2° | 175.6° |
| C3 | C2 | N1 | C25 | 29.6° | 174.7° |
| C3 | C2 | N1 | N7 | 177.7° | 179.9° |
| C3 | C2 | N1 | C22 | 151.1° | 5.0° |
| C3 | C2 | N7 | N6 | 5.2° | 0.1° |
| C2 | C3 | C4 | H1 | 179.3° | 179.7° |
| C24 | C25 | N1 | H9 | 180.0° | 179.6° |
| C25 | C24 | N23 | H4 | 180.0° | 179.8° |
| C24 | C25 | N1 | C2 | 177.7° | 179.9° |
| C24 | C25 | N1 | C22 | 1.7° | 0.4° |
| C25 | C24 | N23 | C22 | 1.1° | 0.2° |
| N1 | C25 | C24 | N23 | 1.7° | 0.4° |
| C25 | N1 | C2 | C22 | 179.3° | 179.7° |
| C25 | N1 | C2 | N7 | 148.1° | 5.3° |
| C25 | N1 | C22 | N23 | 1.0° | 0.3° |
| C25 | N1 | C22 | H3 | 179.0° | 179.8° |
| N1 | C25 | C24 | H4 | 178.3° | 179.9° |
| F14 | C13 | C12 | C15 | 179.9° | 179.8° |
| F14 | C13 | C12 | C11 | 176.6° | 179.7° |
| F14 | C13 | C15 | F16 | 1.3° | 0.3° |
| F14 | C13 | C15 | C17 | 178.7° | 179.8° |
| F14 | C13 | C12 | H7 | 3.5° | 0.2° |
| C5 | C8 | N10 | C11 | 178.3° | 175.6° |
| C8 | C5 | N6 | N7 | 173.6° | 180.0° |
| C8 | C5 | C4 | H1 | 4.3° | 0.3° |
| C5 | C8 | N10 | H6 | 1.6° | 4.4° |
| N10 | C8 | C5 | N6 | 1.9° | 0.0° |
| C8 | N10 | C11 | C12 | 2.9° | 35.3° |
| C8 | N10 | C11 | H6 | 180.0° | 180.0° |
| C8 | N10 | C11 | C18 | 178.9° | 144.7° |
| C5 | N6 | N7 | C2 | 4.1° | 0.0° |
| N6 | C5 | C4 | H1 | 178.1° | 179.7° |
| C24 | N23 | C22 | N1 | 0.1° | 0.1° |
| C24 | N23 | C22 | H3 | 179.9° | 180.0° |
| N23 | C24 | C25 | H9 | 178.2° | 180.0° |
| N1 | C2 | N7 | N6 | 177.0° | 180.0° |
| C2 | N1 | C22 | N23 | 178.5° | 180.0° |
| C2 | N1 | C22 | H3 | 1.5° | 0.1° |
| N1 | C2 | C3 | H5 | 0.2° | 0.1° |
| C2 | N1 | C25 | H9 | 2.3° | 0.2° |
| N7 | C2 | N1 | C22 | 31.2° | 175.1° |
| N7 | C2 | C3 | H5 | 177.5° | 180.0° |
| N1 | C22 | N23 | H3 | 180.0° | 179.9° |
| C22 | N1 | C25 | H9 | 178.3° | 180.0° |
| C13 | C12 | C11 | H7 | 180.0° | 179.9° |
| C13 | C12 | C11 | N10 | 179.2° | 179.9° |
| C13 | C12 | C11 | C18 | 4.8° | 0.1° |
| C12 | C13 | C15 | F16 | 178.6° | 179.9° |
| C12 | C13 | C15 | C17 | 1.3° | 0.0° |
| C11 | C12 | C13 | C15 | 3.4° | 0.0° |
| C12 | C11 | N10 | C18 | 176.0° | 180.0° |
| C12 | C11 | C18 | C17 | 4.4° | 0.0° |
| C12 | C11 | C18 | C19 | 179.5° | 180.0° |
| C12 | C11 | N10 | H6 | 177.2° | 144.7° |
| C13 | C15 | F16 | C17 | 177.3° | 179.9° |
| C13 | C15 | C17 | C18 | 0.8° | 0.1° |
| C13 | C15 | C17 | H2 | 179.1° | 179.9° |
| C15 | C13 | C12 | H7 | 176.6° | 180.0° |
| N10 | C11 | C18 | C17 | 179.3° | 180.0° |
| N10 | C11 | C18 | C19 | 4.2° | 0.0° |
| N10 | C11 | C12 | H7 | 0.9° | 0.0° |
| C11 | C18 | C17 | C15 | 2.5° | 0.1° |
| C11 | C18 | C17 | C19 | 175.0° | 180.0° |
| C11 | C18 | C19 | O21 | 3.1° | 5.4° |
| C11 | C18 | C19 | O20 | 177.1° | 174.6° |
| C11 | C18 | C17 | H2 | 177.5° | 180.0° |
| C18 | C11 | N10 | H6 | 1.1° | 35.3° |
| C18 | C11 | C12 | H7 | 175.2° | 180.0° |
| C22 | N23 | C24 | H4 | 178.9° | 179.9° |
| F16 | C15 | C17 | C18 | 178.2° | 180.0° |
| F16 | C15 | C17 | H2 | 1.8° | 0.0° |
| C15 | C17 | C18 | H2 | 180.0° | 180.0° |
| C15 | C17 | C18 | C19 | 177.5° | 179.9° |
| C17 | C18 | C19 | O21 | 172.1° | 174.6° |
| C17 | C18 | C19 | O20 | 7.7° | 5.4° |
| C18 | C19 | O21 | O20 | 179.8° | 179.9° |
| C19 | C18 | C17 | H2 | 2.5° | 0.1° |
| C18 | C19 | O20 | H8 | 179.8° | 180.0° |
| O21 | C19 | O20 | H8 | 0.0° | 0.1° |
| H1 | C4 | C3 | H5 | 0.7° | 0.3° |
| H4 | C24 | C25 | H9 | 1.8° | 0.2° |
