86Z
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C07 | C06 | doub | 1.39Å | 1.38Å | Aromatic |
| C07 | N08 | sing | 1.32Å | 1.36Å | Aromatic |
| C06 | C05 | sing | 1.39Å | 1.41Å | Aromatic |
| N08 | C03 | doub | 1.33Å | 1.37Å | Aromatic |
| C05 | C04 | doub | 1.39Å | 1.41Å | Aromatic |
| C03 | C04 | sing | 1.39Å | 1.39Å | Aromatic |
| C03 | B02 | sing | 1.57Å | 1.56Å | |
| B02 | O09 | sing | 1.42Å | 1.37Å | |
| B02 | O01 | sing | 1.42Å | 1.38Å | |
| C04 | H1 | sing | 1.08Å | 1.08Å | |
| C05 | H2 | sing | 1.08Å | 1.08Å | |
| C06 | H3 | sing | 1.08Å | 1.08Å | |
| C07 | H4 | sing | 1.08Å | 1.08Å | |
| O01 | H5 | sing | 0.97Å | 0.95Å | |
| O09 | H6 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C06 | C07 | N08 | 125.9° | 120.9° |
| C07 | C06 | C05 | 117.1° | 119.3° |
| C07 | C06 | H3 | 121.4° | 120.3° |
| C06 | C07 | H4 | 117.0° | 119.6° |
| C07 | N08 | C03 | 116.5° | 121.7° |
| N08 | C07 | H4 | 117.1° | 119.5° |
| C06 | C05 | C04 | 118.4° | 118.5° |
| C06 | C05 | H2 | 120.8° | 120.8° |
| C05 | C06 | H3 | 121.4° | 120.4° |
| N08 | C03 | C04 | 121.9° | 120.6° |
| N08 | C03 | B02 | 117.1° | 119.7° |
| C05 | C04 | C03 | 120.1° | 119.1° |
| C05 | C04 | H1 | 119.9° | 120.5° |
| C04 | C05 | H2 | 120.8° | 120.7° |
| C04 | C03 | B02 | 121.0° | 119.7° |
| C03 | C04 | H1 | 120.0° | 120.4° |
| C03 | B02 | O09 | 120.5° | 120.0° |
| C03 | B02 | O01 | 116.9° | 120.0° |
| O09 | B02 | O01 | 120.9° | 120.0° |
| B02 | O09 | H6 | 109.5° | 114.0° |
| B02 | O01 | H5 | 109.5° | 113.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C06 | C07 | N08 | H4 | 180.0° | 179.8° |
| C07 | C06 | C05 | H3 | 180.0° | 180.0° |
| C06 | C07 | N08 | C03 | 0.0° | 0.5° |
| C07 | C06 | C05 | C04 | 0.7° | 0.0° |
| C07 | C06 | C05 | H2 | 179.2° | 180.0° |
| N08 | C07 | C06 | C05 | 0.7° | 0.3° |
| C07 | N08 | C03 | C04 | 0.8° | 0.6° |
| C07 | N08 | C03 | B02 | 179.9° | 179.8° |
| N08 | C07 | C06 | H3 | 179.3° | 179.8° |
| C06 | C05 | C04 | H2 | 180.0° | 179.9° |
| C06 | C05 | C04 | C03 | 0.0° | 0.1° |
| C06 | C05 | C04 | H1 | 180.0° | 180.0° |
| C05 | C06 | C07 | H4 | 179.3° | 180.0° |
| N08 | C03 | C04 | C05 | 0.8° | 0.3° |
| N08 | C03 | C04 | B02 | 179.0° | 179.7° |
| N08 | C03 | B02 | O09 | 58.6° | 179.7° |
| N08 | C03 | B02 | O01 | 106.6° | 0.1° |
| N08 | C03 | C04 | H1 | 179.2° | 179.8° |
| C03 | N08 | C07 | H4 | 180.0° | 179.7° |
| C05 | C04 | C03 | H1 | 180.0° | 179.9° |
| C05 | C04 | C03 | B02 | 179.9° | 180.0° |
| C04 | C05 | C06 | H3 | 179.3° | 180.0° |
| C04 | C03 | B02 | O09 | 122.3° | 0.0° |
| C04 | C03 | B02 | O01 | 72.5° | 179.7° |
| C03 | C04 | C05 | H2 | 180.0° | 180.0° |
| C03 | B02 | O09 | O01 | 164.6° | 179.8° |
| B02 | C03 | C04 | H1 | 0.1° | 0.1° |
| C03 | B02 | O01 | H5 | 180.0° | 179.7° |
| C03 | B02 | O09 | H6 | 180.0° | 0.3° |
| O09 | B02 | O01 | H5 | 14.8° | 0.0° |
| O01 | B02 | O09 | H6 | 15.4° | 180.0° |
| H1 | C04 | C05 | H2 | 0.0° | 0.1° |
| H2 | C05 | C06 | H3 | 0.7° | 0.1° |
| H3 | C06 | C07 | H4 | 0.7° | 0.0° |
