CFI
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C07 | C06 | doub | 1.38Å | 1.40Å | Aromatic |
| C07 | C08 | sing | 1.38Å | 1.39Å | Aromatic |
| C06 | C05 | sing | 1.39Å | 1.39Å | Aromatic |
| C08 | C09 | doub | 1.38Å | 1.38Å | Aromatic |
| C05 | N03 | sing | 1.40Å | 1.46Å | |
| C05 | C10 | doub | 1.39Å | 1.39Å | Aromatic |
| O04 | N03 | sing | 1.42Å | 1.30Å | |
| N03 | N02 | sing | 1.29Å | 1.35Å | |
| C09 | C10 | sing | 1.38Å | 1.39Å | Aromatic |
| N02 | O01 | doub | 1.22Å | 1.22Å | |
| O04 | H1 | sing | 0.97Å | 0.95Å | |
| C06 | H2 | sing | 1.08Å | 1.08Å | |
| C07 | H3 | sing | 1.08Å | 1.08Å | |
| C08 | H4 | sing | 1.08Å | 1.08Å | |
| C09 | H5 | sing | 1.08Å | 1.08Å | |
| C10 | H6 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C06 | C07 | C08 | 121.6° | 120.0° |
| C07 | C06 | C05 | 120.7° | 119.9° |
| C07 | C06 | H2 | 119.7° | 120.0° |
| C06 | C07 | H3 | 119.1° | 120.0° |
| C07 | C08 | C09 | 117.9° | 120.2° |
| C08 | C07 | H3 | 119.2° | 120.0° |
| C07 | C08 | H4 | 121.1° | 119.9° |
| C06 | C05 | N03 | 122.3° | 120.0° |
| C06 | C05 | C10 | 116.8° | 119.9° |
| C05 | C06 | H2 | 119.6° | 120.0° |
| C08 | C09 | C10 | 120.4° | 120.1° |
| C09 | C08 | H4 | 121.0° | 119.9° |
| C08 | C09 | H5 | 119.8° | 120.0° |
| N03 | C05 | C10 | 120.8° | 120.1° |
| C05 | N03 | O04 | 122.7° | 120.0° |
| C05 | N03 | N02 | 121.1° | 120.0° |
| C05 | C10 | C09 | 122.5° | 119.9° |
| C05 | C10 | H6 | 118.7° | 120.1° |
| O04 | N03 | N02 | 116.2° | 120.0° |
| N03 | O04 | H1 | 109.5° | 114.0° |
| N03 | N02 | O01 | 120.0° | 120.0° |
| C10 | C09 | H5 | 119.8° | 120.0° |
| C09 | C10 | H6 | 118.7° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C06 | C07 | C08 | H3 | 180.0° | 179.9° |
| C07 | C06 | C05 | H2 | 180.0° | 179.9° |
| C06 | C07 | C08 | C09 | 0.4° | 0.0° |
| C07 | C06 | C05 | N03 | 178.9° | 180.0° |
| C07 | C06 | C05 | C10 | 0.1° | 0.3° |
| C06 | C07 | C08 | H4 | 179.6° | 180.0° |
| C08 | C07 | C06 | C05 | 0.3° | 0.0° |
| C07 | C08 | C09 | H4 | 180.0° | 179.9° |
| C07 | C08 | C09 | C10 | 0.1° | 0.3° |
| C08 | C07 | C06 | H2 | 179.7° | 180.0° |
| C07 | C08 | C09 | H5 | 179.9° | 179.9° |
| C06 | C05 | N03 | C10 | 178.8° | 179.8° |
| C06 | C05 | N03 | O04 | 11.7° | 179.7° |
| C06 | C05 | N03 | N02 | 169.1° | 0.2° |
| C06 | C05 | C10 | C09 | 0.2° | 0.5° |
| C05 | C06 | C07 | H3 | 179.7° | 180.0° |
| C06 | C05 | C10 | H6 | 179.8° | 179.7° |
| C08 | C09 | C10 | C05 | 0.1° | 0.5° |
| C08 | C09 | C10 | H5 | 180.0° | 179.8° |
| C09 | C08 | C07 | H3 | 179.6° | 180.0° |
| C08 | C09 | C10 | H6 | 179.8° | 179.7° |
| C05 | N03 | O04 | N02 | 179.2° | 180.0° |
| N03 | C05 | C10 | C09 | 178.7° | 179.7° |
| C05 | N03 | N02 | O01 | 175.3° | 180.0° |
| C05 | N03 | O04 | H1 | 177.3° | 0.1° |
| N03 | C05 | C06 | H2 | 1.1° | 0.0° |
| N03 | C05 | C10 | H6 | 1.3° | 0.0° |
| C10 | C05 | N03 | O04 | 167.1° | 0.0° |
| C10 | C05 | N03 | N02 | 12.1° | 180.0° |
| C05 | C10 | C09 | H6 | 180.0° | 179.7° |
| C10 | C05 | C06 | H2 | 179.9° | 179.8° |
| C05 | C10 | C09 | H5 | 179.8° | 179.7° |
| O04 | N03 | N02 | O01 | 3.9° | 0.0° |
| N02 | N03 | O04 | H1 | 1.9° | 180.0° |
| C10 | C09 | C08 | H4 | 179.9° | 179.8° |
| H2 | C06 | C07 | H3 | 0.4° | 0.1° |
| H3 | C07 | C08 | H4 | 0.4° | 0.1° |
| H4 | C08 | C09 | H5 | 0.1° | 0.0° |
| H5 | C09 | C10 | H6 | 0.2° | 0.1° |
