C7I
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C5 | C6 | doub | 1.38Å | 1.37Å | Aromatic |
| C5 | C4 | sing | 1.38Å | 1.55Å | Aromatic |
| O7 | C7B | sing | 1.43Å | 1.43Å | |
| CL4 | C4 | sing | 1.74Å | 1.79Å | |
| C6 | C1 | sing | 1.38Å | 1.54Å | Aromatic |
| C4 | C3 | doub | 1.38Å | 1.33Å | Aromatic |
| C7B | C7A | sing | 1.53Å | 1.55Å | |
| C1 | C7 | sing | 1.51Å | 1.57Å | |
| C1 | C2 | doub | 1.38Å | 1.37Å | Aromatic |
| C3 | C2 | sing | 1.38Å | 1.58Å | Aromatic |
| C7A | C7 | sing | 1.53Å | 1.55Å | |
| C7 | C8 | sing | 1.53Å | 1.57Å | |
| O2 | C9 | doub | 1.21Å | 1.19Å | |
| C8 | C9 | sing | 1.51Å | 1.54Å | |
| C9 | N1 | sing | 1.35Å | 1.45Å | |
| N1 | O1 | sing | 1.42Å | 1.42Å | |
| C2 | H1 | sing | 1.08Å | 1.08Å | |
| C3 | H2 | sing | 1.08Å | 1.08Å | |
| C5 | H3 | sing | 1.08Å | 1.08Å | |
| C6 | H4 | sing | 1.08Å | 1.08Å | |
| C7 | H5 | sing | 1.09Å | 1.10Å | |
| C7A | H6 | sing | 1.09Å | 1.10Å | |
| C7A | H7 | sing | 1.09Å | 1.10Å | |
| C7B | H8 | sing | 1.09Å | 1.10Å | |
| C7B | H9 | sing | 1.09Å | 1.10Å | |
| C8 | H10 | sing | 1.09Å | 1.10Å | |
| C8 | H11 | sing | 1.09Å | 1.10Å | |
| N1 | H12 | sing | 0.97Å | 1.00Å | |
| O1 | H13 | sing | 0.97Å | 0.95Å | |
| O7 | H14 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C6 | C5 | C4 | 119.5° | 120.0° |
| C5 | C6 | C1 | 119.6° | 120.0° |
| C6 | C5 | H3 | 120.2° | 119.9° |
| C5 | C6 | H4 | 120.2° | 120.0° |
| C5 | C4 | CL4 | 119.5° | 120.0° |
| C5 | C4 | C3 | 121.4° | 120.0° |
| C4 | C5 | H3 | 120.2° | 120.1° |
| O7 | C7B | C7A | 111.0° | 109.4° |
| O7 | C7B | H8 | 109.1° | 109.5° |
| O7 | C7B | H9 | 109.1° | 109.4° |
| C7B | O7 | H14 | 109.5° | 114.0° |
| CL4 | C4 | C3 | 119.1° | 120.0° |
| C6 | C1 | C7 | 119.6° | 119.9° |
| C6 | C1 | C2 | 120.8° | 120.1° |
| C1 | C6 | H4 | 120.2° | 120.0° |
| C4 | C3 | C2 | 119.9° | 120.0° |
| C4 | C3 | H2 | 120.1° | 120.0° |
| C7B | C7A | C7 | 111.2° | 109.4° |
| C7B | C7A | H6 | 109.0° | 109.5° |
| C7B | C7A | H7 | 109.1° | 109.5° |
| C7A | C7B | H8 | 109.1° | 109.5° |
| C7A | C7B | H9 | 109.1° | 109.5° |
| C7 | C1 | C2 | 119.5° | 120.0° |
| C1 | C7 | C7A | 110.0° | 109.5° |
| C1 | C7 | C8 | 107.5° | 109.5° |
| C1 | C7 | H5 | 108.6° | 109.4° |
| C1 | C2 | C3 | 118.8° | 120.0° |
| C1 | C2 | H1 | 120.6° | 120.0° |
| C3 | C2 | H1 | 120.6° | 120.0° |
| C2 | C3 | H2 | 120.1° | 120.1° |
| C7A | C7 | C8 | 113.1° | 109.5° |
| C7A | C7 | H5 | 108.9° | 109.5° |
| C7 | C7A | H6 | 109.0° | 109.4° |
| C7 | C7A | H7 | 109.0° | 109.4° |
| C7 | C8 | C9 | 112.5° | 109.5° |
| C8 | C7 | H5 | 108.7° | 109.4° |
| C7 | C8 | H10 | 108.7° | 109.5° |
| C7 | C8 | H11 | 108.7° | 109.5° |
| O2 | C9 | C8 | 121.5° | 120.0° |
| O2 | C9 | N1 | 114.8° | 120.0° |
| C8 | C9 | N1 | 117.6° | 120.0° |
| C9 | C8 | H10 | 108.7° | 109.5° |
| C9 | C8 | H11 | 108.7° | 109.5° |
| C9 | N1 | O1 | 115.7° | 120.0° |
| C9 | N1 | H12 | 122.2° | 120.0° |
| O1 | N1 | H12 | 122.2° | 120.0° |
| N1 | O1 | H13 | 109.5° | 114.0° |
| H6 | C7A | H7 | 109.5° | 109.6° |
| H8 | C7B | H9 | 109.5° | 109.5° |
| H10 | C8 | H11 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C6 | C5 | C4 | H3 | 180.0° | 179.5° |
| C6 | C5 | C4 | CL4 | 178.0° | 179.7° |
| C5 | C6 | C1 | H4 | 180.0° | 179.4° |
| C6 | C5 | C4 | C3 | 0.7° | 0.3° |
| C5 | C6 | C1 | C7 | 176.7° | 179.7° |
| C5 | C6 | C1 | C2 | 0.0° | 0.6° |
| C5 | C4 | CL4 | C3 | 178.8° | 180.0° |
| C4 | C5 | C6 | C1 | 0.4° | 0.6° |
| C5 | C4 | C3 | C2 | 0.6° | 0.0° |
| C5 | C4 | C3 | H2 | 179.3° | 180.0° |
| C4 | C5 | C6 | H4 | 179.6° | 180.0° |
| O7 | C7B | C7A | H8 | 120.2° | 120.0° |
| O7 | C7B | C7A | H9 | 120.2° | 119.9° |
| O7 | C7B | C7A | C7 | 98.9° | 180.0° |
| O7 | C7B | C7A | H6 | 140.9° | 60.0° |
| O7 | C7B | C7A | H7 | 21.4° | 60.1° |
| O7 | C7B | H8 | H9 | 119.3° | 120.0° |
| CL4 | C4 | C3 | C2 | 178.1° | 180.0° |
| CL4 | C4 | C3 | H2 | 1.9° | 0.0° |
| CL4 | C4 | C5 | H3 | 2.0° | 0.3° |
| C6 | C1 | C7 | C2 | 176.7° | 179.7° |
| C6 | C1 | C2 | C3 | 0.1° | 0.3° |
| C6 | C1 | C7 | C7A | 96.2° | 59.7° |
| C6 | C1 | C7 | C8 | 140.2° | 60.3° |
| C6 | C1 | C2 | H1 | 179.9° | 179.7° |
| C1 | C6 | C5 | H3 | 179.6° | 180.0° |
| C6 | C1 | C7 | H5 | 22.8° | 179.7° |
| C4 | C3 | C2 | C1 | 0.3° | 0.0° |
| C4 | C3 | C2 | H2 | 180.0° | 180.0° |
| C4 | C3 | C2 | H1 | 179.7° | 180.0° |
| C3 | C4 | C5 | H3 | 179.3° | 179.8° |
| C7B | C7A | C7 | C1 | 52.1° | 65.0° |
| C7B | C7A | C7 | H6 | 120.3° | 120.0° |
| C7B | C7A | C7 | H7 | 120.3° | 119.9° |
| C7B | C7A | C7 | C8 | 172.3° | 175.0° |
| C7B | C7A | C7 | H5 | 66.8° | 55.0° |
| C7B | C7A | H6 | H7 | 119.2° | 120.1° |
| C7A | C7B | H8 | H9 | 119.3° | 120.0° |
| C7A | C7B | O7 | H14 | 180.0° | 180.0° |
| C7 | C1 | C2 | C3 | 176.6° | 180.0° |
| C1 | C7 | C7A | C8 | 120.2° | 120.0° |
| C1 | C7 | C7A | H5 | 118.9° | 120.0° |
| C1 | C7 | C8 | H5 | 117.3° | 119.9° |
| C1 | C7 | C8 | C9 | 155.2° | 175.0° |
| C7 | C1 | C2 | H1 | 3.4° | 0.1° |
| C7 | C1 | C6 | H4 | 3.3° | 0.3° |
| C1 | C7 | C7A | H6 | 68.1° | 175.0° |
| C1 | C7 | C7A | H7 | 172.4° | 55.0° |
| C1 | C7 | C8 | H10 | 34.7° | 55.0° |
| C1 | C7 | C8 | H11 | 84.3° | 65.0° |
| C1 | C2 | C3 | H1 | 180.0° | 180.0° |
| C2 | C1 | C7 | C7A | 87.1° | 120.0° |
| C2 | C1 | C7 | C8 | 36.5° | 120.0° |
| C1 | C2 | C3 | H2 | 179.7° | 180.0° |
| C2 | C1 | C6 | H4 | 180.0° | 180.0° |
| C2 | C1 | C7 | H5 | 153.8° | 0.0° |
| C7A | C7 | C8 | H5 | 121.0° | 120.0° |
| C7A | C7 | C8 | C9 | 83.2° | 65.0° |
| C7 | C7A | H6 | H7 | 119.2° | 120.0° |
| C7 | C7A | C7B | H8 | 21.3° | 60.0° |
| C7 | C7A | C7B | H9 | 140.9° | 60.1° |
| C7A | C7 | C8 | H10 | 156.3° | 175.0° |
| C7A | C7 | C8 | H11 | 37.3° | 55.0° |
| C7 | C8 | C9 | O2 | 16.7° | 0.0° |
| C7 | C8 | C9 | H10 | 120.5° | 120.0° |
| C7 | C8 | C9 | H11 | 120.5° | 120.0° |
| C7 | C8 | C9 | N1 | 134.2° | 180.0° |
| C8 | C7 | C7A | H6 | 52.1° | 55.0° |
| C8 | C7 | C7A | H7 | 67.4° | 65.0° |
| C7 | C8 | H10 | H11 | 118.6° | 120.0° |
| O2 | C9 | C8 | N1 | 151.0° | 180.0° |
| O2 | C9 | N1 | O1 | 3.2° | 0.0° |
| O2 | C9 | C8 | H10 | 103.7° | 120.0° |
| O2 | C9 | C8 | H11 | 137.2° | 120.0° |
| O2 | C9 | N1 | H12 | 176.8° | 180.0° |
| C8 | C9 | N1 | O1 | 149.7° | 180.0° |
| C9 | C8 | C7 | H5 | 37.8° | 55.0° |
| C9 | C8 | H10 | H11 | 118.6° | 120.0° |
| C8 | C9 | N1 | H12 | 30.3° | 0.0° |
| C9 | N1 | O1 | H12 | 180.0° | 179.9° |
| N1 | C9 | C8 | H10 | 105.3° | 60.0° |
| N1 | C9 | C8 | H11 | 13.8° | 60.0° |
| C9 | N1 | O1 | H13 | 1.5° | 180.0° |
| H1 | C2 | C3 | H2 | 0.3° | 0.0° |
| H3 | C5 | C6 | H4 | 0.4° | 0.5° |
| H5 | C7 | C7A | H6 | 173.0° | 65.0° |
| H5 | C7 | C7A | H7 | 53.5° | 175.0° |
| H5 | C7 | C8 | H10 | 82.6° | 64.9° |
| H5 | C7 | C8 | H11 | 158.3° | 175.0° |
| H6 | C7A | C7B | H8 | 98.9° | 180.0° |
| H6 | C7A | C7B | H9 | 20.6° | 59.9° |
| H7 | C7A | C7B | H8 | 141.6° | 59.9° |
| H7 | C7A | C7B | H9 | 98.8° | 180.0° |
| H8 | C7B | O7 | H14 | 59.8° | 59.9° |
| H9 | C7B | O7 | H14 | 59.8° | 60.1° |
| H12 | N1 | O1 | H13 | 178.4° | 0.1° |
