C7V
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| F1 | C1 | sing | 1.40Å | 1.33Å | |
| F2 | C1 | sing | 1.40Å | 1.35Å | |
| C1 | F3 | sing | 1.40Å | 1.35Å | |
| C1 | C2 | sing | 1.51Å | 1.50Å | |
| C20 | C2 | doub | 1.38Å | 1.38Å | Aromatic |
| C20 | C19 | sing | 1.38Å | 1.38Å | Aromatic |
| C2 | C3 | sing | 1.38Å | 1.37Å | Aromatic |
| C19 | C5 | doub | 1.38Å | 1.38Å | Aromatic |
| C3 | C4 | doub | 1.38Å | 1.38Å | Aromatic |
| C5 | C4 | sing | 1.38Å | 1.37Å | Aromatic |
| C5 | C6 | sing | 1.51Å | 1.47Å | |
| C16 | C17 | doub | 1.37Å | 1.36Å | Aromatic |
| C16 | C15 | sing | 1.39Å | 1.39Å | Aromatic |
| C17 | C18 | sing | 1.39Å | 1.40Å | Aromatic |
| C15 | C14 | doub | 1.37Å | 1.37Å | Aromatic |
| C6 | N1 | sing | 1.47Å | 1.46Å | |
| C18 | N1 | sing | 1.37Å | 1.37Å | Aromatic |
| C18 | C13 | doub | 1.41Å | 1.40Å | Aromatic |
| N1 | N2 | sing | 1.40Å | 1.37Å | Aromatic |
| C14 | C13 | sing | 1.40Å | 1.38Å | Aromatic |
| C13 | C7 | sing | 1.46Å | 1.42Å | Aromatic |
| N2 | C7 | doub | 1.31Å | 1.37Å | Aromatic |
| C7 | N3 | sing | 1.40Å | 1.41Å | |
| O2 | C8 | doub | 1.22Å | 1.21Å | |
| C8 | N3 | sing | 1.35Å | 1.39Å | |
| C8 | C9 | sing | 1.47Å | 1.48Å | |
| O02 | C9 | sing | 1.35Å | 1.38Å | Aromatic |
| O02 | N4 | sing | 1.21Å | 1.33Å | Aromatic |
| C9 | C10 | doub | 1.37Å | 1.36Å | Aromatic |
| N4 | C11 | doub | 1.30Å | 1.35Å | Aromatic |
| C10 | C11 | sing | 1.41Å | 1.45Å | Aromatic |
| C10 | C01 | sing | 1.51Å | 1.46Å | |
| C4 | H41 | sing | 1.08Å | 1.08Å | |
| C3 | H31 | sing | 1.08Å | 1.08Å | |
| C01 | H012 | sing | 1.09Å | 1.10Å | |
| C01 | H011 | sing | 1.09Å | 1.10Å | |
| C01 | H013 | sing | 1.09Å | 1.10Å | |
| N3 | H32 | sing | 0.97Å | 1.00Å | |
| C6 | H61 | sing | 1.09Å | 1.10Å | |
| C6 | H62 | sing | 1.09Å | 1.10Å | |
| C11 | H111 | sing | 1.08Å | 1.08Å | |
| C14 | H141 | sing | 1.08Å | 1.08Å | |
| C15 | H151 | sing | 1.08Å | 1.08Å | |
| C16 | H161 | sing | 1.08Å | 1.08Å | |
| C17 | H171 | sing | 1.08Å | 1.08Å | |
| C19 | H191 | sing | 1.08Å | 1.08Å | |
| C20 | H201 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| F1 | C1 | F2 | 105.6° | 109.5° |
| F1 | C1 | F3 | 105.8° | 109.5° |
| F1 | C1 | C2 | 110.8° | 109.4° |
| F2 | C1 | F3 | 105.4° | 109.5° |
| F2 | C1 | C2 | 113.5° | 109.5° |
| F3 | C1 | C2 | 115.0° | 109.5° |
| C1 | C2 | C20 | 116.9° | 120.0° |
| C1 | C2 | C3 | 122.0° | 120.0° |
| C2 | C20 | C19 | 119.2° | 120.0° |
| C20 | C2 | C3 | 121.1° | 120.0° |
| C2 | C20 | H201 | 120.4° | 120.0° |
| C20 | C19 | C5 | 119.6° | 120.0° |
| C20 | C19 | H191 | 120.2° | 120.0° |
| C19 | C20 | H201 | 120.4° | 120.0° |
| C2 | C3 | C4 | 119.4° | 120.0° |
| C2 | C3 | H31 | 120.3° | 120.0° |
| C19 | C5 | C4 | 121.1° | 120.0° |
| C19 | C5 | C6 | 119.4° | 120.0° |
| C5 | C19 | H191 | 120.2° | 120.0° |
| C3 | C4 | C5 | 119.6° | 120.0° |
| C3 | C4 | H41 | 120.2° | 120.0° |
| C4 | C3 | H31 | 120.3° | 120.0° |
| C4 | C5 | C6 | 119.5° | 120.0° |
| C5 | C4 | H41 | 120.2° | 120.0° |
| C5 | C6 | N1 | 102.2° | 109.5° |
| C5 | C6 | H61 | 111.3° | 109.5° |
| C5 | C6 | H62 | 111.3° | 109.5° |
| C17 | C16 | C15 | 121.5° | 120.8° |
| C16 | C17 | C18 | 114.6° | 119.9° |
| C17 | C16 | H161 | 119.3° | 119.6° |
| C16 | C17 | H171 | 122.7° | 120.0° |
| C16 | C15 | C14 | 123.1° | 120.6° |
| C16 | C15 | H151 | 118.4° | 119.7° |
| C15 | C16 | H161 | 119.3° | 119.6° |
| C17 | C18 | N1 | 129.7° | 133.8° |
| C17 | C18 | C13 | 124.7° | 119.4° |
| C18 | C17 | H171 | 122.7° | 120.1° |
| C15 | C14 | C13 | 117.5° | 119.7° |
| C15 | C14 | H141 | 121.3° | 120.2° |
| C14 | C15 | H151 | 118.5° | 119.7° |
| C6 | N1 | C18 | 120.5° | 125.4° |
| C6 | N1 | N2 | 125.7° | 125.3° |
| N1 | C6 | H61 | 111.2° | 109.4° |
| N1 | C6 | H62 | 111.3° | 109.5° |
| N1 | C18 | C13 | 105.7° | 106.9° |
| C18 | N1 | N2 | 113.8° | 109.2° |
| C18 | C13 | C14 | 118.6° | 119.7° |
| C18 | C13 | C7 | 105.9° | 106.2° |
| N1 | N2 | C7 | 103.8° | 110.0° |
| C14 | C13 | C7 | 135.5° | 134.1° |
| C13 | C14 | H141 | 121.3° | 120.2° |
| C13 | C7 | N2 | 110.9° | 107.7° |
| C13 | C7 | N3 | 127.5° | 126.1° |
| N2 | C7 | N3 | 121.6° | 126.2° |
| C7 | N3 | C8 | 122.2° | 120.0° |
| C7 | N3 | H32 | 118.9° | 120.0° |
| O2 | C8 | N3 | 124.4° | 120.1° |
| O2 | C8 | C9 | 121.7° | 120.0° |
| N3 | C8 | C9 | 113.9° | 119.9° |
| C8 | N3 | H32 | 118.9° | 120.0° |
| C8 | C9 | O02 | 115.8° | 127.0° |
| C8 | C9 | C10 | 134.7° | 126.9° |
| C9 | O02 | N4 | 109.1° | 111.5° |
| O02 | C9 | C10 | 109.5° | 106.1° |
| O02 | N4 | C11 | 108.9° | 112.0° |
| C9 | C10 | C11 | 104.1° | 103.9° |
| C9 | C10 | C01 | 133.5° | 128.1° |
| N4 | C11 | C10 | 108.4° | 106.6° |
| N4 | C11 | H111 | 125.8° | 126.7° |
| C11 | C10 | C01 | 122.4° | 128.1° |
| C10 | C11 | H111 | 125.8° | 126.7° |
| C10 | C01 | H012 | 109.5° | 109.5° |
| C10 | C01 | H011 | 109.5° | 109.5° |
| C10 | C01 | H013 | 109.5° | 109.5° |
| H012 | C01 | H011 | 109.4° | 109.5° |
| H012 | C01 | H013 | 109.4° | 109.5° |
| H011 | C01 | H013 | 109.5° | 109.5° |
| H61 | C6 | H62 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F1 | C1 | F2 | F3 | 111.7° | 120.0° |
| F1 | C1 | F2 | C2 | 121.6° | 120.0° |
| F1 | C1 | F3 | C2 | 122.6° | 120.0° |
| F1 | C1 | C2 | C20 | 60.7° | 30.1° |
| F1 | C1 | C2 | C3 | 119.7° | 150.0° |
| F2 | C1 | F3 | C2 | 125.8° | 120.0° |
| F2 | C1 | C2 | C20 | 57.9° | 150.0° |
| F2 | C1 | C2 | C3 | 121.7° | 30.0° |
| F3 | C1 | C2 | C20 | 179.4° | 90.0° |
| F3 | C1 | C2 | C3 | 0.2° | 90.0° |
| C1 | C2 | C20 | C3 | 179.6° | 180.0° |
| C1 | C2 | C20 | C19 | 179.6° | 179.8° |
| C1 | C2 | C3 | C4 | 179.8° | 180.0° |
| C1 | C2 | C3 | H31 | 0.2° | 0.0° |
| C1 | C2 | C20 | H201 | 0.4° | 0.0° |
| C2 | C20 | C19 | H201 | 180.0° | 179.8° |
| C2 | C20 | C19 | C5 | 0.4° | 0.2° |
| C20 | C2 | C3 | C4 | 0.3° | 0.0° |
| C20 | C2 | C3 | H31 | 179.7° | 180.0° |
| C2 | C20 | C19 | H191 | 179.6° | 179.8° |
| C19 | C20 | C2 | C3 | 0.1° | 0.2° |
| C20 | C19 | C5 | H191 | 180.0° | 180.0° |
| C20 | C19 | C5 | C4 | 0.7° | 0.0° |
| C20 | C19 | C5 | C6 | 179.2° | 180.0° |
| C2 | C3 | C4 | H31 | 180.0° | 180.0° |
| C2 | C3 | C4 | C5 | 0.0° | 0.3° |
| C2 | C3 | C4 | H41 | 180.0° | 180.0° |
| C3 | C2 | C20 | H201 | 179.9° | 180.0° |
| C19 | C5 | C4 | C3 | 0.5° | 0.3° |
| C19 | C5 | C4 | C6 | 178.5° | 180.0° |
| C19 | C5 | C6 | N1 | 103.3° | 90.0° |
| C19 | C5 | C4 | H41 | 179.5° | 180.0° |
| C19 | C5 | C6 | H61 | 15.5° | 150.0° |
| C19 | C5 | C6 | H62 | 137.8° | 30.0° |
| C5 | C19 | C20 | H201 | 179.6° | 180.0° |
| C3 | C4 | C5 | H41 | 180.0° | 179.8° |
| C3 | C4 | C5 | C6 | 179.0° | 179.7° |
| C4 | C5 | C6 | N1 | 75.2° | 90.0° |
| C5 | C4 | C3 | H31 | 180.0° | 179.7° |
| C4 | C5 | C6 | H61 | 166.0° | 30.0° |
| C4 | C5 | C6 | H62 | 43.6° | 150.0° |
| C4 | C5 | C19 | H191 | 179.3° | 180.0° |
| C5 | C6 | N1 | H61 | 118.9° | 120.0° |
| C5 | C6 | N1 | H62 | 118.8° | 120.0° |
| C5 | C6 | N1 | C18 | 89.9° | 89.7° |
| C5 | C6 | N1 | N2 | 88.1° | 90.0° |
| C6 | C5 | C4 | H41 | 1.0° | 0.0° |
| C5 | C6 | H61 | H62 | 123.4° | 120.0° |
| C6 | C5 | C19 | H191 | 0.8° | 0.0° |
| C17 | C16 | C15 | H161 | 180.0° | 179.7° |
| C16 | C17 | C18 | H171 | 180.0° | 179.7° |
| C17 | C16 | C15 | C14 | 0.2° | 0.1° |
| C16 | C17 | C18 | N1 | 179.4° | 179.5° |
| C16 | C17 | C18 | C13 | 0.1° | 0.6° |
| C17 | C16 | C15 | H151 | 179.8° | 180.0° |
| C15 | C16 | C17 | C18 | 0.2° | 0.3° |
| C16 | C15 | C14 | H151 | 180.0° | 179.9° |
| C16 | C15 | C14 | C13 | 0.1° | 0.1° |
| C16 | C15 | C14 | H141 | 179.9° | 180.0° |
| C15 | C16 | C17 | H171 | 179.8° | 180.0° |
| C17 | C18 | N1 | C6 | 1.4° | 0.8° |
| C17 | C18 | N1 | C13 | 179.6° | 179.0° |
| C17 | C18 | N1 | N2 | 179.6° | 179.5° |
| C17 | C18 | C13 | C14 | 0.0° | 0.6° |
| C17 | C18 | C13 | C7 | 179.9° | 179.6° |
| C18 | C17 | C16 | H161 | 179.8° | 180.0° |
| C15 | C14 | C13 | C18 | 0.0° | 0.3° |
| C15 | C14 | C13 | H141 | 180.0° | 179.9° |
| C15 | C14 | C13 | C7 | 179.9° | 180.0° |
| C14 | C15 | C16 | H161 | 179.8° | 179.7° |
| C6 | N1 | C18 | N2 | 178.2° | 179.7° |
| C6 | N1 | C18 | C13 | 179.0° | 179.9° |
| C6 | N1 | N2 | C7 | 178.8° | 180.0° |
| N1 | C6 | H61 | H62 | 123.4° | 120.0° |
| N1 | C18 | C13 | C14 | 179.6° | 179.8° |
| N1 | C18 | C13 | C7 | 0.5° | 0.4° |
| C18 | N1 | N2 | C7 | 0.7° | 0.3° |
| C18 | N1 | C6 | H61 | 28.9° | 30.3° |
| C18 | N1 | C6 | H62 | 151.2° | 150.3° |
| N1 | C18 | C17 | H171 | 0.6° | 0.8° |
| C13 | C18 | N1 | N2 | 0.8° | 0.5° |
| C18 | C13 | C14 | C7 | 179.9° | 179.7° |
| C18 | C13 | C7 | N2 | 0.0° | 0.3° |
| C18 | C13 | C7 | N3 | 180.0° | 179.8° |
| C18 | C13 | C14 | H141 | 180.0° | 179.8° |
| C13 | C18 | C17 | H171 | 179.9° | 179.8° |
| N1 | N2 | C7 | C13 | 0.4° | 0.0° |
| N1 | N2 | C7 | N3 | 179.6° | 179.9° |
| N2 | N1 | C6 | H61 | 153.1° | 150.1° |
| N2 | N1 | C6 | H62 | 30.8° | 30.0° |
| C14 | C13 | C7 | N2 | 179.9° | 180.0° |
| C14 | C13 | C7 | N3 | 0.1° | 0.0° |
| C13 | C14 | C15 | H151 | 179.9° | 180.0° |
| C13 | C7 | N2 | N3 | 180.0° | 180.0° |
| C13 | C7 | N3 | C8 | 25.3° | 180.0° |
| C13 | C7 | N3 | H32 | 154.8° | 0.1° |
| C7 | C13 | C14 | H141 | 0.1° | 0.1° |
| N2 | C7 | N3 | C8 | 154.8° | 0.1° |
| N2 | C7 | N3 | H32 | 25.2° | 180.0° |
| C7 | N3 | C8 | O2 | 11.6° | 0.1° |
| C7 | N3 | C8 | H32 | 180.0° | 179.9° |
| C7 | N3 | C8 | C9 | 168.3° | 180.0° |
| O2 | C8 | N3 | C9 | 179.9° | 179.9° |
| O2 | C8 | C9 | O02 | 18.2° | 179.9° |
| O2 | C8 | C9 | C10 | 161.8° | 0.1° |
| O2 | C8 | N3 | H32 | 168.4° | 180.0° |
| N3 | C8 | C9 | O02 | 161.7° | 0.0° |
| N3 | C8 | C9 | C10 | 18.2° | 180.0° |
| C8 | C9 | O02 | C10 | 180.0° | 180.0° |
| C8 | C9 | O02 | N4 | 180.0° | 179.9° |
| C8 | C9 | C10 | C11 | 179.9° | 180.0° |
| C8 | C9 | C10 | C01 | 0.0° | 0.0° |
| C9 | C8 | N3 | H32 | 11.7° | 0.1° |
| C9 | O02 | N4 | C11 | 0.1° | 0.1° |
| O02 | C9 | C10 | C11 | 0.1° | 0.0° |
| O02 | C9 | C10 | C01 | 180.0° | 180.0° |
| N4 | O02 | C9 | C10 | 0.0° | 0.1° |
| O02 | N4 | C11 | C10 | 0.2° | 0.1° |
| O02 | N4 | C11 | H111 | 179.9° | 180.0° |
| C9 | C10 | C11 | N4 | 0.2° | 0.1° |
| C9 | C10 | C11 | C01 | 180.0° | 180.0° |
| C9 | C10 | C01 | H012 | 90.0° | 90.0° |
| C9 | C10 | C01 | H011 | 150.0° | 150.0° |
| C9 | C10 | C01 | H013 | 29.9° | 30.0° |
| C9 | C10 | C11 | H111 | 179.9° | 180.0° |
| N4 | C11 | C10 | H111 | 180.0° | 179.9° |
| N4 | C11 | C10 | C01 | 179.9° | 180.0° |
| C11 | C10 | C01 | H012 | 90.0° | 90.0° |
| C11 | C10 | C01 | H011 | 30.0° | 30.0° |
| C11 | C10 | C01 | H013 | 150.0° | 150.0° |
| C10 | C01 | H012 | H011 | 120.0° | 120.0° |
| C10 | C01 | H012 | H013 | 120.0° | 120.0° |
| C10 | C01 | H011 | H013 | 120.0° | 120.0° |
| C01 | C10 | C11 | H111 | 0.1° | 0.0° |
| H41 | C4 | C3 | H31 | 0.0° | 0.0° |
| H012 | C01 | H011 | H013 | 120.0° | 120.0° |
| H141 | C14 | C15 | H151 | 0.1° | 0.1° |
| H151 | C15 | C16 | H161 | 0.2° | 0.3° |
| H161 | C16 | C17 | H171 | 0.2° | 0.3° |
| H191 | C19 | C20 | H201 | 0.4° | 0.0° |
