CIN
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | doub | 1.40Å | 1.39Å | Aromatic |
| C1 | C6 | sing | 1.40Å | 1.38Å | Aromatic |
| C1 | C1' | sing | 1.47Å | 1.52Å | |
| C2 | C3 | sing | 1.38Å | 1.38Å | Aromatic |
| C2 | H2 | sing | 1.08Å | 1.10Å | |
| C3 | C4 | doub | 1.40Å | 1.39Å | Aromatic |
| C3 | H3 | sing | 1.08Å | 1.10Å | |
| C4 | C5 | sing | 1.40Å | 1.37Å | Aromatic |
| C4 | C4' | sing | 1.48Å | 1.52Å | |
| C5 | C6 | doub | 1.38Å | 1.39Å | Aromatic |
| C5 | H5 | sing | 1.08Å | 1.10Å | |
| C6 | H6 | sing | 1.08Å | 1.10Å | |
| C1' | C2' | doub | 1.35Å | 1.30Å | |
| C1' | H1' | sing | 1.08Å | 1.10Å | |
| C2' | C3' | sing | 1.46Å | 1.52Å | |
| C2' | H2' | sing | 1.08Å | 1.10Å | |
| C3' | O1' | doub | 1.22Å | 1.23Å | |
| C3' | O2' | sing | 1.35Å | 1.33Å | |
| C4' | O3' | doub | 1.21Å | 1.22Å | |
| C4' | O4' | sing | 1.35Å | 1.34Å | |
| O2' | HO2 | sing | 0.97Å | 0.95Å | |
| O4' | HO4 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C6 | 119.3° | 120.0° |
| C2 | C1 | C1' | 123.6° | 120.0° |
| C1 | C2 | C3 | 120.6° | 120.0° |
| C1 | C2 | H2 | 120.3° | 120.0° |
| C6 | C1 | C1' | 117.1° | 120.0° |
| C1 | C6 | C5 | 119.8° | 120.0° |
| C1 | C6 | H6 | 119.6° | 120.0° |
| C1 | C1' | C2' | 125.7° | 120.0° |
| C1 | C1' | H1' | 125.5° | 120.0° |
| C3 | C2 | H2 | 119.2° | 120.0° |
| C2 | C3 | C4 | 120.0° | 120.0° |
| C2 | C3 | H3 | 119.7° | 120.0° |
| C4 | C3 | H3 | 120.3° | 120.0° |
| C3 | C4 | C5 | 119.6° | 120.0° |
| C3 | C4 | C4' | 117.0° | 119.9° |
| C5 | C4 | C4' | 123.4° | 120.1° |
| C4 | C5 | C6 | 120.7° | 120.1° |
| C4 | C5 | H5 | 119.0° | 119.9° |
| C4 | C4' | O3' | 123.0° | 120.1° |
| C4 | C4' | O4' | 114.5° | 119.9° |
| C6 | C5 | H5 | 120.3° | 120.0° |
| C5 | C6 | H6 | 120.6° | 120.0° |
| C2' | C1' | H1' | 108.8° | 119.9° |
| C1' | C2' | C3' | 120.8° | 120.0° |
| C1' | C2' | H2' | 112.0° | 120.0° |
| C3' | C2' | H2' | 127.3° | 120.0° |
| C2' | C3' | O1' | 121.7° | 120.0° |
| C2' | C3' | O2' | 113.0° | 120.0° |
| O1' | C3' | O2' | 125.2° | 120.0° |
| C3' | O2' | HO2 | 113.0° | 120.0° |
| O3' | C4' | O4' | 122.5° | 120.0° |
| C4' | O4' | HO4 | 114.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C6 | C1' | 179.5° | 179.8° |
| C1 | C2 | C3 | H2 | 180.0° | 180.0° |
| C1 | C2 | C3 | C4 | 0.0° | 0.0° |
| C1 | C2 | C3 | H3 | 180.0° | 180.0° |
| C2 | C1 | C6 | C5 | 2.2° | 0.5° |
| C2 | C1 | C6 | H6 | 177.8° | 180.0° |
| C2 | C1 | C1' | C2' | 0.3° | 180.0° |
| C2 | C1 | C1' | H1' | 179.7° | 0.0° |
| C6 | C1 | C2 | C3 | 1.1° | 0.2° |
| C6 | C1 | C2 | H2 | 178.9° | 179.8° |
| C1 | C6 | C5 | C4 | 2.2° | 0.6° |
| C1 | C6 | C5 | H6 | 180.0° | 179.5° |
| C1 | C6 | C5 | H5 | 177.9° | 179.8° |
| C6 | C1 | C1' | C2' | 179.1° | 0.2° |
| C6 | C1 | C1' | H1' | 0.8° | 179.8° |
| C1' | C1 | C2 | C3 | 179.4° | 180.0° |
| C1' | C1 | C2 | H2 | 0.6° | 0.0° |
| C1' | C1 | C6 | C5 | 178.3° | 179.7° |
| C1' | C1 | C6 | H6 | 1.7° | 0.2° |
| C1 | C1' | C2' | H1' | 180.0° | 180.0° |
| C1 | C1' | C2' | C3' | 179.9° | 180.0° |
| C1 | C1' | C2' | H2' | 0.1° | 0.0° |
| C2 | C3 | C4 | H3 | 180.0° | 180.0° |
| C2 | C3 | C4 | C5 | 0.1° | 0.0° |
| C2 | C3 | C4 | C4' | 179.6° | 180.0° |
| H2 | C2 | C3 | C4 | 180.0° | 180.0° |
| H2 | C2 | C3 | H3 | 0.0° | 0.0° |
| C3 | C4 | C5 | C4' | 179.5° | 180.0° |
| C3 | C4 | C5 | C6 | 1.0° | 0.3° |
| C3 | C4 | C5 | H5 | 179.0° | 180.0° |
| C3 | C4 | C4' | O3' | 174.1° | 0.0° |
| C3 | C4 | C4' | O4' | 3.4° | 180.0° |
| H3 | C3 | C4 | C5 | 180.0° | 180.0° |
| H3 | C3 | C4 | C4' | 0.4° | 0.0° |
| C4 | C5 | C6 | H5 | 180.0° | 179.7° |
| C4 | C5 | C6 | H6 | 177.8° | 180.0° |
| C5 | C4 | C4' | O3' | 6.4° | 180.0° |
| C5 | C4 | C4' | O4' | 176.2° | 0.0° |
| C4' | C4 | C5 | C6 | 178.5° | 179.7° |
| C4' | C4 | C5 | H5 | 1.5° | 0.0° |
| C4 | C4' | O3' | O4' | 177.3° | 180.0° |
| C4 | C4' | O4' | HO4 | 180.0° | 180.0° |
| H5 | C5 | C6 | H6 | 2.1° | 0.3° |
| C1' | C2' | C3' | H2' | 180.0° | 180.0° |
| C1' | C2' | C3' | O1' | 141.7° | 0.0° |
| C1' | C2' | C3' | O2' | 42.2° | 180.0° |
| H1' | C1' | C2' | C3' | 0.1° | 0.0° |
| H1' | C1' | C2' | H2' | 179.9° | 180.0° |
| C2' | C3' | O1' | O2' | 175.6° | 180.0° |
| C2' | C3' | O2' | HO2 | 180.0° | 180.0° |
| H2' | C2' | C3' | O1' | 38.3° | 180.0° |
| H2' | C2' | C3' | O2' | 137.8° | 0.0° |
| O1' | C3' | O2' | HO2 | 4.0° | 0.0° |
| O3' | C4' | O4' | HO4 | 2.6° | 0.0° |
