361
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| F21 | C5 | sing | 1.35Å | 1.34Å | |
| C5 | C6 | doub | 1.39Å | 1.38Å | Aromatic |
| C5 | C4 | sing | 1.38Å | 1.39Å | Aromatic |
| C6 | F27 | sing | 1.35Å | 1.34Å | |
| C6 | C1 | sing | 1.38Å | 1.39Å | Aromatic |
| C4 | C3 | doub | 1.38Å | 1.39Å | Aromatic |
| C3 | C2 | sing | 1.38Å | 1.40Å | Aromatic |
| C3 | C9 | sing | 1.51Å | 1.50Å | |
| C2 | F22 | sing | 1.35Å | 1.34Å | |
| C2 | C1 | doub | 1.38Å | 1.41Å | Aromatic |
| C9 | C14 | sing | 1.53Å | 1.54Å | |
| C9 | C10 | sing | 1.53Å | 1.55Å | |
| C14 | N23 | sing | 1.47Å | 1.46Å | |
| C14 | C13 | sing | 1.53Å | 1.53Å | |
| C13 | N12 | sing | 1.47Å | 1.47Å | |
| N12 | C29 | sing | 1.36Å | 1.34Å | Aromatic |
| N12 | C11 | sing | 1.37Å | 1.35Å | Aromatic |
| C29 | C19 | doub | 1.42Å | 1.47Å | Aromatic |
| C29 | C23 | sing | 1.39Å | 1.40Å | Aromatic |
| C19 | N18 | sing | 1.34Å | 1.35Å | Aromatic |
| C19 | C20 | sing | 1.40Å | 1.39Å | Aromatic |
| N18 | C11 | doub | 1.30Å | 1.35Å | Aromatic |
| C11 | C10 | sing | 1.51Å | 1.53Å | |
| C20 | N21 | doub | 1.32Å | 1.35Å | Aromatic |
| N21 | C22 | sing | 1.32Å | 1.35Å | Aromatic |
| C22 | C23 | doub | 1.37Å | 1.41Å | Aromatic |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C9 | H9 | sing | 1.09Å | 1.10Å | |
| C14 | H14 | sing | 1.09Å | 1.10Å | |
| N23 | HN23 | sing | 1.01Å | 1.00Å | |
| N23 | HN2A | sing | 1.01Å | 1.00Å | |
| C13 | H13 | sing | 1.09Å | 1.10Å | |
| C13 | H13A | sing | 1.09Å | 1.10Å | |
| C10 | H10 | sing | 1.09Å | 1.10Å | |
| C10 | H10A | sing | 1.09Å | 1.10Å | |
| C20 | H20 | sing | 1.08Å | 1.08Å | |
| C22 | H22 | sing | 1.08Å | 1.08Å | |
| C23 | H23 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| F21 | C5 | C6 | 118.9° | 120.0° |
| F21 | C5 | C4 | 120.4° | 120.0° |
| C6 | C5 | C4 | 120.7° | 120.0° |
| C5 | C6 | F27 | 117.8° | 120.0° |
| C5 | C6 | C1 | 120.2° | 120.0° |
| C5 | C4 | C3 | 120.3° | 120.0° |
| C5 | C4 | H4 | 119.9° | 120.0° |
| F27 | C6 | C1 | 121.9° | 120.0° |
| C6 | C1 | C2 | 119.2° | 119.9° |
| C6 | C1 | H1 | 120.4° | 120.0° |
| C4 | C3 | C2 | 119.1° | 120.0° |
| C4 | C3 | C9 | 119.9° | 120.0° |
| C3 | C4 | H4 | 119.9° | 120.0° |
| C2 | C3 | C9 | 121.0° | 120.0° |
| C3 | C2 | F22 | 120.3° | 120.0° |
| C3 | C2 | C1 | 120.5° | 120.1° |
| C3 | C9 | C14 | 108.3° | 109.5° |
| C3 | C9 | C10 | 113.7° | 109.5° |
| C3 | C9 | H9 | 108.3° | 109.6° |
| F22 | C2 | C1 | 119.2° | 120.0° |
| C2 | C1 | H1 | 120.4° | 120.1° |
| C14 | C9 | C10 | 112.2° | 109.1° |
| C9 | C14 | N23 | 111.5° | 109.4° |
| C9 | C14 | C13 | 110.5° | 109.4° |
| C14 | C9 | H9 | 110.0° | 109.6° |
| C9 | C14 | H14 | 106.8° | 109.5° |
| C9 | C10 | C11 | 108.9° | 108.3° |
| C10 | C9 | H9 | 104.1° | 109.6° |
| C9 | C10 | H10 | 109.7° | 109.7° |
| C9 | C10 | H10A | 109.8° | 109.7° |
| N23 | C14 | C13 | 107.7° | 109.5° |
| N23 | C14 | H14 | 109.7° | 109.5° |
| C14 | N23 | HN23 | 109.5° | 110.9° |
| C14 | N23 | HN2A | 109.5° | 111.0° |
| C14 | C13 | N12 | 110.6° | 108.9° |
| C13 | C14 | H14 | 110.7° | 109.5° |
| C14 | C13 | H13 | 109.1° | 109.6° |
| C14 | C13 | H13A | 108.8° | 109.6° |
| C13 | N12 | C29 | 125.7° | 128.3° |
| C13 | N12 | C11 | 124.9° | 124.4° |
| N12 | C13 | H13 | 109.1° | 109.5° |
| N12 | C13 | H13A | 108.8° | 109.6° |
| C29 | N12 | C11 | 109.4° | 107.3° |
| N12 | C29 | C19 | 105.9° | 106.1° |
| N12 | C29 | C23 | 135.2° | 134.0° |
| N12 | C11 | N18 | 109.8° | 110.1° |
| N12 | C11 | C10 | 124.2° | 123.7° |
| C19 | C29 | C23 | 119.0° | 119.8° |
| C29 | C19 | N18 | 106.3° | 107.0° |
| C29 | C19 | C20 | 118.9° | 120.0° |
| C29 | C23 | C22 | 118.2° | 116.1° |
| C29 | C23 | H23 | 120.9° | 122.0° |
| N18 | C19 | C20 | 134.8° | 133.0° |
| C19 | N18 | C11 | 108.7° | 109.4° |
| C19 | C20 | N21 | 119.3° | 117.1° |
| C19 | C20 | H20 | 120.4° | 121.5° |
| N18 | C11 | C10 | 126.0° | 126.1° |
| C11 | C10 | H10 | 109.7° | 109.7° |
| C11 | C10 | H10A | 109.8° | 109.7° |
| C20 | N21 | C22 | 123.2° | 124.0° |
| N21 | C20 | H20 | 120.3° | 121.4° |
| N21 | C22 | C23 | 121.3° | 123.0° |
| N21 | C22 | H22 | 119.4° | 118.5° |
| C23 | C22 | H22 | 119.3° | 118.5° |
| C22 | C23 | H23 | 120.9° | 122.0° |
| HN23 | N23 | HN2A | 109.5° | 111.1° |
| H13 | C13 | H13A | 110.4° | 109.7° |
| H10 | C10 | H10A | 109.0° | 109.7° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F21 | C5 | C6 | C4 | 179.6° | 179.7° |
| F21 | C5 | C6 | F27 | 1.1° | 0.0° |
| F21 | C5 | C6 | C1 | 179.7° | 180.0° |
| F21 | C5 | C4 | C3 | 179.8° | 179.9° |
| F21 | C5 | C4 | H4 | 0.2° | 0.0° |
| C5 | C6 | F27 | C1 | 179.3° | 180.0° |
| C6 | C5 | C4 | C3 | 0.2° | 0.3° |
| C5 | C6 | C1 | C2 | 0.3° | 0.0° |
| C6 | C5 | C4 | H4 | 179.8° | 179.7° |
| C5 | C6 | C1 | H1 | 179.7° | 180.0° |
| C4 | C5 | C6 | F27 | 179.3° | 179.7° |
| C4 | C5 | C6 | C1 | 0.0° | 0.3° |
| C5 | C4 | C3 | H4 | 180.0° | 179.9° |
| C5 | C4 | C3 | C2 | 0.6° | 0.0° |
| C5 | C4 | C3 | C9 | 178.6° | 180.0° |
| F27 | C6 | C1 | C2 | 179.5° | 180.0° |
| F27 | C6 | C1 | H1 | 0.5° | 0.0° |
| C6 | C1 | C2 | C3 | 0.7° | 0.3° |
| C6 | C1 | C2 | F22 | 179.8° | 180.0° |
| C6 | C1 | C2 | H1 | 180.0° | 180.0° |
| C4 | C3 | C2 | C9 | 177.9° | 180.0° |
| C4 | C3 | C2 | F22 | 179.6° | 180.0° |
| C4 | C3 | C2 | C1 | 0.9° | 0.3° |
| C4 | C3 | C9 | C14 | 76.4° | 59.9° |
| C4 | C3 | C9 | C10 | 49.1° | 59.7° |
| C4 | C3 | C9 | H9 | 164.3° | 179.9° |
| C3 | C2 | F22 | C1 | 179.5° | 179.7° |
| C2 | C3 | C9 | C14 | 101.5° | 120.0° |
| C2 | C3 | C9 | C10 | 133.0° | 120.3° |
| C2 | C3 | C4 | H4 | 179.4° | 180.0° |
| C3 | C2 | C1 | H1 | 179.3° | 179.7° |
| C2 | C3 | C9 | H9 | 17.8° | 0.1° |
| C9 | C3 | C2 | F22 | 1.7° | 0.0° |
| C9 | C3 | C2 | C1 | 178.8° | 179.7° |
| C3 | C9 | C14 | C10 | 126.3° | 119.8° |
| C3 | C9 | C14 | H9 | 118.2° | 120.2° |
| C3 | C9 | C10 | H9 | 117.7° | 120.2° |
| C3 | C9 | C14 | N23 | 51.0° | 50.2° |
| C3 | C9 | C14 | C13 | 170.7° | 170.1° |
| C3 | C9 | C10 | C11 | 167.1° | 169.0° |
| C9 | C3 | C4 | H4 | 1.4° | 0.1° |
| C3 | C9 | C14 | H14 | 68.8° | 69.9° |
| C3 | C9 | C10 | H10 | 72.9° | 71.3° |
| C3 | C9 | C10 | H10A | 46.9° | 49.3° |
| F22 | C2 | C1 | H1 | 0.2° | 0.0° |
| C14 | C9 | C10 | H9 | 118.9° | 120.0° |
| C9 | C14 | N23 | C13 | 121.4° | 119.9° |
| C9 | C14 | N23 | H14 | 118.1° | 120.0° |
| C9 | C14 | C13 | H14 | 118.1° | 120.0° |
| C9 | C14 | C13 | N12 | 46.9° | 50.8° |
| C14 | C9 | C10 | C11 | 43.7° | 49.2° |
| C9 | C14 | N23 | HN23 | 126.5° | 180.0° |
| C9 | C14 | N23 | HN2A | 113.5° | 56.1° |
| C9 | C14 | C13 | H13 | 166.9° | 170.6° |
| C9 | C14 | C13 | H13A | 72.6° | 69.0° |
| C14 | C9 | C10 | H10 | 163.7° | 168.9° |
| C14 | C9 | C10 | H10A | 76.5° | 70.6° |
| C10 | C9 | C14 | N23 | 177.3° | 170.0° |
| C10 | C9 | C14 | C13 | 62.9° | 70.1° |
| C9 | C10 | C11 | N12 | 13.6° | 16.0° |
| C9 | C10 | C11 | N18 | 167.5° | 163.9° |
| C9 | C10 | C11 | H10 | 120.0° | 119.7° |
| C9 | C10 | C11 | H10A | 120.2° | 119.7° |
| C10 | C9 | C14 | H14 | 57.5° | 50.0° |
| C9 | C10 | H10 | H10A | 120.2° | 120.6° |
| N23 | C14 | C13 | H14 | 119.9° | 120.0° |
| N23 | C14 | C13 | N12 | 168.9° | 170.8° |
| N23 | C14 | C9 | H9 | 67.3° | 70.0° |
| C14 | N23 | HN23 | HN2A | 120.0° | 123.9° |
| N23 | C14 | C13 | H13 | 71.1° | 69.5° |
| N23 | C14 | C13 | H13A | 49.4° | 50.9° |
| C14 | C13 | N12 | H13 | 120.0° | 119.8° |
| C14 | C13 | N12 | H13A | 119.5° | 119.9° |
| C14 | C13 | N12 | C29 | 162.8° | 162.8° |
| C14 | C13 | N12 | C11 | 17.5° | 17.2° |
| C13 | C14 | C9 | H9 | 52.5° | 49.9° |
| C13 | C14 | N23 | HN23 | 5.1° | 60.0° |
| C13 | C14 | N23 | HN2A | 125.1° | 176.0° |
| C14 | C13 | H13 | H13A | 119.5° | 120.3° |
| C13 | N12 | C29 | C11 | 179.8° | 180.0° |
| C13 | N12 | C29 | C19 | 180.0° | 179.9° |
| C13 | N12 | C29 | C23 | 0.1° | 0.1° |
| C13 | N12 | C11 | N18 | 179.7° | 179.9° |
| C13 | N12 | C11 | C10 | 0.6° | 0.2° |
| N12 | C13 | C14 | H14 | 71.2° | 69.2° |
| N12 | C13 | H13 | H13A | 119.5° | 120.3° |
| N12 | C29 | C19 | C23 | 179.9° | 180.0° |
| N12 | C29 | C19 | N18 | 0.1° | 0.0° |
| N12 | C29 | C19 | C20 | 179.7° | 180.0° |
| C29 | N12 | C11 | N18 | 0.5° | 0.1° |
| C29 | N12 | C11 | C10 | 179.6° | 179.8° |
| N12 | C29 | C23 | C22 | 179.9° | 180.0° |
| C29 | N12 | C13 | H13 | 42.8° | 43.0° |
| C29 | N12 | C13 | H13A | 77.7° | 77.3° |
| N12 | C29 | C23 | H23 | 0.1° | 0.0° |
| C11 | N12 | C29 | C19 | 0.3° | 0.1° |
| C11 | N12 | C29 | C23 | 179.9° | 179.9° |
| N12 | C11 | N18 | C19 | 0.6° | 0.1° |
| N12 | C11 | N18 | C10 | 179.0° | 179.9° |
| C11 | N12 | C13 | H13 | 137.5° | 137.1° |
| C11 | N12 | C13 | H13A | 102.0° | 102.6° |
| N12 | C11 | C10 | H10 | 133.6° | 135.7° |
| N12 | C11 | C10 | H10A | 106.6° | 103.7° |
| C29 | C19 | N18 | C20 | 179.7° | 180.0° |
| C29 | C19 | N18 | C11 | 0.4° | 0.0° |
| C29 | C19 | C20 | N21 | 1.3° | 0.0° |
| C19 | C29 | C23 | C22 | 0.3° | 0.0° |
| C29 | C19 | C20 | H20 | 178.7° | 180.0° |
| C19 | C29 | C23 | H23 | 179.7° | 180.0° |
| C23 | C29 | C19 | N18 | 179.8° | 180.0° |
| C23 | C29 | C19 | C20 | 0.5° | 0.0° |
| C29 | C23 | C22 | N21 | 0.9° | 0.0° |
| C29 | C23 | C22 | H23 | 180.0° | 180.0° |
| C29 | C23 | C22 | H22 | 179.1° | 180.0° |
| C19 | N18 | C11 | C10 | 179.6° | 179.8° |
| N18 | C19 | C20 | N21 | 179.1° | 180.0° |
| N18 | C19 | C20 | H20 | 0.9° | 0.0° |
| C20 | C19 | N18 | C11 | 179.3° | 179.9° |
| C19 | C20 | N21 | H20 | 180.0° | 180.0° |
| C19 | C20 | N21 | C22 | 2.0° | 0.0° |
| N18 | C11 | C10 | H10 | 47.5° | 44.2° |
| N18 | C11 | C10 | H10A | 72.3° | 76.4° |
| C11 | C10 | C9 | H9 | 75.2° | 70.8° |
| C11 | C10 | H10 | H10A | 120.3° | 120.6° |
| C20 | N21 | C22 | C23 | 1.9° | 0.1° |
| C20 | N21 | C22 | H22 | 178.2° | 180.0° |
| N21 | C22 | C23 | H22 | 180.0° | 179.9° |
| C22 | N21 | C20 | H20 | 178.0° | 180.0° |
| N21 | C22 | C23 | H23 | 179.1° | 180.0° |
| H9 | C9 | C14 | H14 | 172.9° | 170.0° |
| H9 | C9 | C10 | H10 | 44.8° | 48.9° |
| H9 | C9 | C10 | H10A | 164.6° | 169.5° |
| H14 | C14 | N23 | HN23 | 115.5° | 60.0° |
| H14 | C14 | N23 | HN2A | 4.6° | 64.0° |
| H14 | C14 | C13 | H13 | 48.8° | 50.6° |
| H14 | C14 | C13 | H13A | 169.3° | 170.9° |
| H22 | C22 | C23 | H23 | 0.9° | 0.0° |
