7N7
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O01 | B02 | sing | 1.42Å | 1.67Å | |
| B02 | O03 | sing | 1.42Å | 1.66Å | |
| B02 | C05 | sing | 1.57Å | 1.66Å | |
| C05 | C14 | doub | 1.40Å | 1.40Å | Aromatic |
| C05 | C06 | sing | 1.38Å | 1.40Å | Aromatic |
| C14 | C13 | sing | 1.36Å | 1.39Å | Aromatic |
| C06 | C07 | doub | 1.40Å | 1.44Å | Aromatic |
| C13 | C12 | doub | 1.41Å | 1.42Å | Aromatic |
| C07 | C12 | sing | 1.42Å | 1.37Å | Aromatic |
| C07 | C08 | sing | 1.41Å | 1.42Å | Aromatic |
| C12 | C11 | sing | 1.41Å | 1.42Å | Aromatic |
| C08 | C09 | doub | 1.36Å | 1.40Å | Aromatic |
| C11 | C10 | doub | 1.36Å | 1.39Å | Aromatic |
| C09 | C10 | sing | 1.39Å | 1.39Å | Aromatic |
| C13 | H1 | sing | 1.08Å | 1.08Å | |
| O01 | H2 | sing | 0.97Å | 0.95Å | |
| O03 | H3 | sing | 0.97Å | 0.95Å | |
| C06 | H4 | sing | 1.08Å | 1.08Å | |
| C08 | H5 | sing | 1.08Å | 1.08Å | |
| C09 | H6 | sing | 1.08Å | 1.08Å | |
| C10 | H7 | sing | 1.08Å | 1.08Å | |
| C11 | H8 | sing | 1.08Å | 1.08Å | |
| C14 | H9 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O01 | B02 | O03 | 104.2° | 120.0° |
| O01 | B02 | C05 | 107.8° | 120.0° |
| B02 | O01 | H2 | 109.5° | 114.0° |
| O03 | B02 | C05 | 106.5° | 120.0° |
| B02 | O03 | H3 | 109.5° | 114.1° |
| B02 | C05 | C14 | 118.5° | 119.7° |
| B02 | C05 | C06 | 120.7° | 119.7° |
| C14 | C05 | C06 | 120.9° | 120.6° |
| C05 | C14 | C13 | 119.5° | 120.8° |
| C05 | C14 | H9 | 120.3° | 119.6° |
| C05 | C06 | C07 | 119.1° | 119.4° |
| C05 | C06 | H4 | 120.5° | 120.3° |
| C14 | C13 | C12 | 120.3° | 120.0° |
| C14 | C13 | H1 | 119.8° | 120.0° |
| C13 | C14 | H9 | 120.2° | 119.6° |
| C06 | C07 | C12 | 119.8° | 119.5° |
| C06 | C07 | C08 | 121.6° | 121.1° |
| C07 | C06 | H4 | 120.4° | 120.3° |
| C13 | C12 | C07 | 120.5° | 119.6° |
| C13 | C12 | C11 | 118.0° | 121.1° |
| C12 | C13 | H1 | 119.9° | 120.0° |
| C12 | C07 | C08 | 118.6° | 119.3° |
| C07 | C12 | C11 | 121.5° | 119.3° |
| C07 | C08 | C09 | 120.2° | 119.7° |
| C07 | C08 | H5 | 119.9° | 120.2° |
| C12 | C11 | C10 | 119.4° | 119.7° |
| C12 | C11 | H8 | 120.3° | 120.2° |
| C08 | C09 | C10 | 120.4° | 120.9° |
| C09 | C08 | H5 | 119.9° | 120.2° |
| C08 | C09 | H6 | 119.8° | 119.5° |
| C11 | C10 | C09 | 119.8° | 121.0° |
| C11 | C10 | H7 | 120.1° | 119.5° |
| C10 | C11 | H8 | 120.3° | 120.2° |
| C10 | C09 | H6 | 119.8° | 119.5° |
| C09 | C10 | H7 | 120.1° | 119.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O01 | B02 | O03 | C05 | 113.7° | 180.0° |
| O01 | B02 | C05 | C14 | 28.7° | 0.0° |
| O01 | B02 | C05 | C06 | 152.1° | 180.0° |
| O01 | B02 | O03 | H3 | 180.0° | 179.9° |
| O03 | B02 | C05 | C14 | 82.6° | 180.0° |
| O03 | B02 | C05 | C06 | 96.6° | 0.1° |
| O03 | B02 | O01 | H2 | 180.0° | 0.0° |
| B02 | C05 | C14 | C06 | 179.2° | 179.9° |
| B02 | C05 | C14 | C13 | 179.9° | 180.0° |
| B02 | C05 | C06 | C07 | 179.5° | 179.7° |
| C05 | B02 | O01 | H2 | 67.2° | 179.9° |
| C05 | B02 | O03 | H3 | 66.2° | 0.0° |
| B02 | C05 | C06 | H4 | 0.5° | 0.0° |
| B02 | C05 | C14 | H9 | 0.1° | 0.1° |
| C05 | C14 | C13 | H9 | 180.0° | 180.0° |
| C14 | C05 | C06 | C07 | 0.3° | 0.2° |
| C05 | C14 | C13 | C12 | 0.2° | 0.0° |
| C05 | C14 | C13 | H1 | 179.8° | 179.7° |
| C14 | C05 | C06 | H4 | 179.7° | 180.0° |
| C06 | C05 | C14 | C13 | 0.7° | 0.0° |
| C05 | C06 | C07 | H4 | 180.0° | 179.8° |
| C05 | C06 | C07 | C12 | 0.5° | 0.5° |
| C05 | C06 | C07 | C08 | 179.4° | 180.0° |
| C06 | C05 | C14 | H9 | 179.3° | 180.0° |
| C14 | C13 | C12 | H1 | 180.0° | 179.7° |
| C14 | C13 | C12 | C07 | 0.6° | 0.3° |
| C14 | C13 | C12 | C11 | 180.0° | 179.7° |
| C06 | C07 | C12 | C13 | 1.0° | 0.5° |
| C06 | C07 | C12 | C08 | 179.0° | 179.5° |
| C06 | C07 | C12 | C11 | 179.7° | 179.5° |
| C06 | C07 | C08 | C09 | 179.7° | 180.0° |
| C06 | C07 | C08 | H5 | 0.3° | 0.1° |
| C13 | C12 | C07 | C11 | 179.3° | 180.0° |
| C13 | C12 | C07 | C08 | 179.9° | 180.0° |
| C13 | C12 | C11 | C10 | 179.5° | 178.9° |
| C13 | C12 | C11 | H8 | 0.5° | 0.5° |
| C12 | C13 | C14 | H9 | 179.8° | 180.0° |
| C12 | C07 | C08 | C09 | 0.8° | 0.5° |
| C07 | C12 | C11 | C10 | 0.2° | 1.1° |
| C07 | C12 | C13 | H1 | 179.3° | 180.0° |
| C12 | C07 | C06 | H4 | 179.5° | 179.8° |
| C12 | C07 | C08 | H5 | 179.2° | 179.4° |
| C07 | C12 | C11 | H8 | 179.8° | 179.5° |
| C08 | C07 | C12 | C11 | 0.8° | 0.1° |
| C07 | C08 | C09 | H5 | 180.0° | 179.9° |
| C07 | C08 | C09 | C10 | 0.2° | 0.0° |
| C08 | C07 | C06 | H4 | 0.6° | 0.2° |
| C07 | C08 | C09 | H6 | 179.8° | 180.0° |
| C12 | C11 | C10 | H8 | 180.0° | 178.4° |
| C12 | C11 | C10 | C09 | 0.4° | 1.6° |
| C11 | C12 | C13 | H1 | 0.0° | 0.0° |
| C12 | C11 | C10 | H7 | 179.6° | 179.5° |
| C08 | C09 | C10 | C11 | 0.4° | 1.0° |
| C08 | C09 | C10 | H6 | 180.0° | 180.0° |
| C08 | C09 | C10 | H7 | 179.6° | 180.0° |
| C11 | C10 | C09 | H7 | 180.0° | 179.0° |
| C11 | C10 | C09 | H6 | 179.6° | 178.9° |
| C10 | C09 | C08 | H5 | 179.8° | 179.9° |
| C09 | C10 | C11 | H8 | 179.6° | 180.0° |
| H1 | C13 | C14 | H9 | 0.2° | 0.3° |
| H5 | C08 | C09 | H6 | 0.2° | 0.1° |
| H6 | C09 | C10 | H7 | 0.4° | 0.0° |
| H7 | C10 | C11 | H8 | 0.4° | 1.0° |
