ZI7
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O2 | C8 | sing | 1.43Å | 1.44Å | |
| O2 | C4 | sing | 1.36Å | 1.38Å | |
| C5 | C4 | doub | 1.39Å | 1.39Å | Aromatic |
| C5 | C6 | sing | 1.38Å | 1.39Å | Aromatic |
| C8 | C9 | sing | 1.51Å | 1.53Å | |
| C4 | C3 | sing | 1.39Å | 1.38Å | Aromatic |
| C6 | C7 | doub | 1.38Å | 1.38Å | Aromatic |
| N1 | C1 | sing | 1.35Å | 1.32Å | |
| C3 | F2 | sing | 1.35Å | 1.31Å | |
| C3 | C2 | doub | 1.40Å | 1.39Å | Aromatic |
| C7 | C2 | sing | 1.40Å | 1.38Å | Aromatic |
| C7 | F1 | sing | 1.35Å | 1.33Å | |
| C2 | C1 | sing | 1.48Å | 1.51Å | |
| C9 | N2 | doub | 1.28Å | 1.36Å | Aromatic |
| C9 | S1 | sing | 1.76Å | 1.75Å | Aromatic |
| N2 | C14 | sing | 1.35Å | 1.35Å | Aromatic |
| C1 | O1 | doub | 1.22Å | 1.22Å | |
| C14 | C13 | doub | 1.41Å | 1.40Å | Aromatic |
| C14 | C10 | sing | 1.40Å | 1.40Å | Aromatic |
| S1 | C10 | sing | 1.76Å | 1.68Å | Aromatic |
| C13 | C12 | sing | 1.38Å | 1.40Å | Aromatic |
| C10 | N3 | doub | 1.33Å | 1.35Å | Aromatic |
| F3 | C15 | sing | 1.40Å | 1.31Å | |
| C12 | C15 | sing | 1.51Å | 1.52Å | |
| C12 | C11 | doub | 1.39Å | 1.40Å | Aromatic |
| F5 | C15 | sing | 1.40Å | 1.31Å | |
| N3 | C11 | sing | 1.31Å | 1.34Å | Aromatic |
| C15 | F4 | sing | 1.40Å | 1.31Å | |
| C11 | H1 | sing | 1.08Å | 1.08Å | |
| C13 | H2 | sing | 1.08Å | 1.08Å | |
| C8 | H3 | sing | 1.09Å | 1.10Å | |
| C8 | H4 | sing | 1.09Å | 1.10Å | |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| N1 | H7 | sing | 0.97Å | 1.00Å | |
| N1 | H8 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C8 | O2 | C4 | 125.6° | 117.0° |
| O2 | C8 | C9 | 123.8° | 109.5° |
| O2 | C8 | H3 | 105.8° | 109.4° |
| O2 | C8 | H4 | 105.8° | 109.5° |
| O2 | C4 | C5 | 126.4° | 120.0° |
| O2 | C4 | C3 | 116.1° | 120.0° |
| C4 | C5 | C6 | 121.1° | 120.4° |
| C5 | C4 | C3 | 117.4° | 120.0° |
| C4 | C5 | H5 | 119.4° | 119.8° |
| C5 | C6 | C7 | 120.0° | 120.3° |
| C6 | C5 | H5 | 119.5° | 119.8° |
| C5 | C6 | H6 | 120.0° | 119.9° |
| C8 | C9 | N2 | 124.9° | 124.8° |
| C8 | C9 | S1 | 126.0° | 124.8° |
| C9 | C8 | H3 | 105.8° | 109.5° |
| C9 | C8 | H4 | 105.8° | 109.5° |
| C4 | C3 | F2 | 117.4° | 120.1° |
| C4 | C3 | C2 | 122.5° | 119.8° |
| C6 | C7 | C2 | 120.1° | 119.9° |
| C6 | C7 | F1 | 119.9° | 120.1° |
| C7 | C6 | H6 | 120.0° | 119.9° |
| N1 | C1 | C2 | 119.0° | 120.0° |
| N1 | C1 | O1 | 120.7° | 120.0° |
| C1 | N1 | H7 | 120.0° | 120.0° |
| C1 | N1 | H8 | 120.0° | 120.0° |
| F2 | C3 | C2 | 120.1° | 120.1° |
| C3 | C2 | C7 | 118.8° | 119.6° |
| C3 | C2 | C1 | 123.2° | 120.2° |
| C2 | C7 | F1 | 120.0° | 120.0° |
| C7 | C2 | C1 | 118.0° | 120.2° |
| C2 | C1 | O1 | 120.3° | 120.0° |
| N2 | C9 | S1 | 108.9° | 110.5° |
| C9 | N2 | C14 | 117.3° | 118.0° |
| C9 | S1 | C10 | 90.4° | 90.4° |
| N2 | C14 | C13 | 132.1° | 129.1° |
| N2 | C14 | C10 | 108.8° | 113.0° |
| C13 | C14 | C10 | 119.0° | 117.9° |
| C14 | C13 | C12 | 119.7° | 118.8° |
| C14 | C13 | H2 | 120.2° | 120.6° |
| C14 | C10 | S1 | 114.5° | 108.1° |
| C14 | C10 | N3 | 120.5° | 120.8° |
| S1 | C10 | N3 | 125.0° | 131.1° |
| C13 | C12 | C15 | 123.7° | 120.2° |
| C13 | C12 | C11 | 117.9° | 119.7° |
| C12 | C13 | H2 | 120.2° | 120.6° |
| C10 | N3 | C11 | 121.2° | 122.0° |
| F3 | C15 | C12 | 112.3° | 109.4° |
| F3 | C15 | F5 | 109.4° | 109.5° |
| F3 | C15 | F4 | 106.9° | 109.5° |
| C15 | C12 | C11 | 118.4° | 120.1° |
| C12 | C15 | F5 | 112.8° | 109.5° |
| C12 | C15 | F4 | 109.4° | 109.4° |
| C12 | C11 | N3 | 121.8° | 120.9° |
| C12 | C11 | H1 | 119.1° | 119.6° |
| F5 | C15 | F4 | 105.6° | 109.5° |
| N3 | C11 | H1 | 119.1° | 119.6° |
| H3 | C8 | H4 | 109.5° | 109.5° |
| H7 | N1 | H8 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C8 | O2 | C4 | C5 | 32.4° | 0.3° |
| O2 | C8 | C9 | H3 | 122.0° | 119.9° |
| O2 | C8 | C9 | H4 | 121.9° | 120.0° |
| C8 | O2 | C4 | C3 | 149.2° | 179.9° |
| O2 | C8 | C9 | N2 | 171.2° | 90.0° |
| O2 | C8 | C9 | S1 | 13.7° | 90.3° |
| O2 | C8 | H3 | H4 | 113.5° | 120.0° |
| O2 | C4 | C5 | C3 | 178.4° | 179.7° |
| O2 | C4 | C5 | C6 | 179.5° | 180.0° |
| C4 | O2 | C8 | C9 | 125.6° | 180.0° |
| O2 | C4 | C3 | F2 | 2.1° | 0.1° |
| O2 | C4 | C3 | C2 | 178.8° | 180.0° |
| C4 | O2 | C8 | H3 | 112.4° | 60.0° |
| C4 | O2 | C8 | H4 | 3.7° | 60.0° |
| O2 | C4 | C5 | H5 | 0.5° | 0.1° |
| C4 | C5 | C6 | H5 | 180.0° | 179.9° |
| C4 | C5 | C6 | C7 | 0.5° | 0.0° |
| C5 | C4 | C3 | F2 | 179.4° | 179.7° |
| C5 | C4 | C3 | C2 | 2.6° | 0.4° |
| C4 | C5 | C6 | H6 | 179.5° | 180.0° |
| C6 | C5 | C4 | C3 | 2.1° | 0.3° |
| C5 | C6 | C7 | H6 | 180.0° | 180.0° |
| C5 | C6 | C7 | C2 | 2.7° | 0.3° |
| C5 | C6 | C7 | F1 | 178.4° | 180.0° |
| C8 | C9 | N2 | S1 | 175.8° | 179.7° |
| C8 | C9 | N2 | C14 | 177.9° | 180.0° |
| C8 | C9 | S1 | C10 | 177.5° | 179.9° |
| C9 | C8 | H3 | H4 | 113.6° | 120.0° |
| C4 | C3 | F2 | C2 | 176.8° | 179.9° |
| C4 | C3 | C2 | C7 | 0.5° | 0.0° |
| C4 | C3 | C2 | C1 | 178.7° | 180.0° |
| C3 | C4 | C5 | H5 | 177.9° | 179.7° |
| C6 | C7 | C2 | C3 | 2.2° | 0.3° |
| C6 | C7 | C2 | F1 | 178.9° | 179.7° |
| C6 | C7 | C2 | C1 | 178.6° | 179.7° |
| C7 | C6 | C5 | H5 | 179.5° | 179.9° |
| N1 | C1 | C2 | C3 | 56.8° | 90.0° |
| N1 | C1 | C2 | C7 | 124.1° | 90.0° |
| N1 | C1 | C2 | O1 | 179.0° | 180.0° |
| C1 | N1 | H7 | H8 | 180.0° | 180.0° |
| F2 | C3 | C2 | C7 | 177.2° | 179.9° |
| F2 | C3 | C2 | C1 | 2.0° | 0.1° |
| C3 | C2 | C7 | C1 | 179.2° | 180.0° |
| C3 | C2 | C7 | F1 | 178.9° | 180.0° |
| C3 | C2 | C1 | O1 | 124.2° | 90.0° |
| C7 | C2 | C1 | O1 | 55.0° | 90.0° |
| C2 | C7 | C6 | H6 | 177.3° | 179.7° |
| F1 | C7 | C2 | C1 | 0.3° | 0.0° |
| F1 | C7 | C6 | H6 | 1.6° | 0.0° |
| C2 | C1 | N1 | H7 | 179.1° | 0.0° |
| C2 | C1 | N1 | H8 | 0.9° | 180.0° |
| C9 | N2 | C14 | C13 | 179.9° | 179.8° |
| C9 | N2 | C14 | C10 | 1.3° | 0.3° |
| N2 | C9 | S1 | C10 | 1.7° | 0.2° |
| N2 | C9 | C8 | H3 | 49.2° | 150.0° |
| N2 | C9 | C8 | H4 | 66.9° | 30.0° |
| S1 | C9 | N2 | C14 | 2.1° | 0.3° |
| C9 | S1 | C10 | C14 | 1.1° | 0.0° |
| C9 | S1 | C10 | N3 | 179.8° | 180.0° |
| S1 | C9 | C8 | H3 | 135.7° | 29.6° |
| S1 | C9 | C8 | H4 | 108.2° | 149.7° |
| N2 | C14 | C13 | C10 | 178.5° | 179.5° |
| N2 | C14 | C10 | S1 | 0.2° | 0.2° |
| N2 | C14 | C13 | C12 | 179.5° | 180.0° |
| N2 | C14 | C10 | N3 | 179.3° | 179.8° |
| N2 | C14 | C13 | H2 | 0.5° | 0.3° |
| O1 | C1 | N1 | H7 | 0.0° | 180.0° |
| O1 | C1 | N1 | H8 | 180.0° | 0.0° |
| C13 | C14 | C10 | S1 | 178.7° | 179.7° |
| C14 | C13 | C12 | H2 | 180.0° | 179.7° |
| C13 | C14 | C10 | N3 | 0.5° | 0.3° |
| C14 | C13 | C12 | C15 | 179.6° | 179.7° |
| C14 | C13 | C12 | C11 | 0.6° | 0.5° |
| C14 | C10 | S1 | N3 | 179.1° | 180.0° |
| C10 | C14 | C13 | C12 | 0.9° | 0.5° |
| C14 | C10 | N3 | C11 | 0.3° | 0.1° |
| C10 | C14 | C13 | H2 | 179.1° | 179.8° |
| S1 | C10 | N3 | C11 | 179.4° | 180.0° |
| C13 | C12 | C15 | F3 | 5.6° | 59.7° |
| C13 | C12 | C15 | C11 | 179.7° | 179.7° |
| C13 | C12 | C15 | F5 | 118.7° | 179.7° |
| C13 | C12 | C11 | N3 | 0.1° | 0.3° |
| C13 | C12 | C15 | F4 | 124.1° | 60.3° |
| C13 | C12 | C11 | H1 | 179.8° | 179.8° |
| C10 | N3 | C11 | C12 | 0.6° | 0.1° |
| C10 | N3 | C11 | H1 | 179.4° | 180.0° |
| F3 | C15 | C12 | F5 | 124.2° | 120.0° |
| F3 | C15 | C12 | F4 | 118.5° | 120.0° |
| F3 | C15 | C12 | C11 | 174.2° | 120.0° |
| F3 | C15 | F5 | F4 | 114.7° | 120.1° |
| C12 | C15 | F5 | F4 | 119.5° | 120.0° |
| C15 | C12 | C11 | N3 | 179.6° | 180.0° |
| C15 | C12 | C11 | H1 | 0.4° | 0.0° |
| C15 | C12 | C13 | H2 | 0.4° | 0.0° |
| C11 | C12 | C15 | F5 | 61.6° | 0.0° |
| C12 | C11 | N3 | H1 | 180.0° | 179.9° |
| C11 | C12 | C15 | F4 | 55.7° | 120.0° |
| C11 | C12 | C13 | H2 | 179.4° | 179.8° |
| H5 | C5 | C6 | H6 | 0.5° | 0.1° |
