4ZV
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C10 | C09 | doub | 1.34Å | 1.39Å | Aromatic |
| C10 | C11 | sing | 1.47Å | 1.45Å | Aromatic |
| C09 | N08 | sing | 1.37Å | 1.40Å | Aromatic |
| O01 | C02 | doub | 1.21Å | 1.36Å | |
| C11 | C12 | doub | 1.39Å | 1.41Å | Aromatic |
| C11 | C07 | sing | 1.41Å | 1.46Å | Aromatic |
| C12 | C04 | sing | 1.39Å | 1.40Å | Aromatic |
| N08 | C07 | sing | 1.37Å | 1.40Å | Aromatic |
| C07 | C06 | doub | 1.39Å | 1.41Å | Aromatic |
| C04 | C02 | sing | 1.48Å | 1.50Å | |
| C04 | C05 | doub | 1.40Å | 1.42Å | Aromatic |
| C02 | O03 | sing | 1.35Å | 1.25Å | |
| C06 | C05 | sing | 1.36Å | 1.39Å | Aromatic |
| O03 | H1 | sing | 0.97Å | 0.95Å | |
| C05 | H2 | sing | 1.08Å | 1.08Å | |
| C06 | H3 | sing | 1.08Å | 1.08Å | |
| N08 | H4 | sing | 0.97Å | 1.00Å | |
| C09 | H5 | sing | 1.08Å | 1.08Å | |
| C10 | H6 | sing | 1.08Å | 1.08Å | |
| C12 | H7 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C09 | C10 | C11 | 107.8° | 106.9° |
| C10 | C09 | N08 | 110.3° | 110.0° |
| C10 | C09 | H5 | 124.9° | 125.0° |
| C09 | C10 | H6 | 126.1° | 126.5° |
| C10 | C11 | C12 | 134.4° | 134.0° |
| C10 | C11 | C07 | 105.2° | 106.0° |
| C11 | C10 | H6 | 126.1° | 126.5° |
| C09 | N08 | C07 | 107.7° | 110.0° |
| C09 | N08 | H4 | 126.1° | 125.0° |
| N08 | C09 | H5 | 124.9° | 125.0° |
| O01 | C02 | C04 | 117.7° | 120.0° |
| O01 | C02 | O03 | 112.8° | 120.0° |
| C12 | C11 | C07 | 120.4° | 120.0° |
| C11 | C12 | C04 | 120.0° | 119.4° |
| C11 | C12 | H7 | 120.0° | 120.3° |
| C11 | C07 | N08 | 108.9° | 107.1° |
| C11 | C07 | C06 | 118.9° | 119.6° |
| C12 | C04 | C02 | 122.9° | 119.9° |
| C12 | C04 | C05 | 118.6° | 120.1° |
| C04 | C12 | H7 | 120.0° | 120.3° |
| N08 | C07 | C06 | 132.2° | 133.3° |
| C07 | N08 | H4 | 126.1° | 125.0° |
| C07 | C06 | C05 | 119.2° | 120.3° |
| C07 | C06 | H3 | 120.4° | 119.9° |
| C02 | C04 | C05 | 118.4° | 120.0° |
| C04 | C02 | O03 | 126.3° | 119.9° |
| C04 | C05 | C06 | 122.8° | 120.6° |
| C04 | C05 | H2 | 118.6° | 119.7° |
| C02 | O03 | H1 | 109.5° | 117.0° |
| C06 | C05 | H2 | 118.6° | 119.7° |
| C05 | C06 | H3 | 120.4° | 119.8° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C09 | C10 | C11 | H6 | 180.0° | 179.9° |
| C10 | C09 | N08 | H5 | 180.0° | 180.0° |
| C09 | C10 | C11 | C12 | 179.7° | 179.7° |
| C09 | C10 | C11 | C07 | 0.4° | 0.1° |
| C10 | C09 | N08 | C07 | 0.1° | 0.0° |
| C10 | C09 | N08 | H4 | 179.9° | 180.0° |
| C11 | C10 | C09 | N08 | 0.2° | 0.0° |
| C10 | C11 | C12 | C07 | 179.8° | 179.6° |
| C10 | C11 | C12 | C04 | 179.8° | 179.9° |
| C10 | C11 | C07 | N08 | 0.5° | 0.1° |
| C10 | C11 | C07 | C06 | 179.8° | 180.0° |
| C11 | C10 | C09 | H5 | 179.8° | 180.0° |
| C10 | C11 | C12 | H7 | 0.2° | 0.0° |
| C09 | N08 | C07 | C11 | 0.3° | 0.0° |
| C09 | N08 | C07 | H4 | 180.0° | 180.0° |
| C09 | N08 | C07 | C06 | 180.0° | 179.9° |
| N08 | C09 | C10 | H6 | 179.8° | 179.9° |
| O01 | C02 | C04 | C12 | 29.6° | 0.3° |
| O01 | C02 | C04 | O03 | 158.2° | 179.8° |
| O01 | C02 | C04 | C05 | 152.4° | 180.0° |
| O01 | C02 | O03 | H1 | 0.0° | 0.0° |
| C11 | C12 | C04 | H7 | 180.0° | 179.8° |
| C12 | C11 | C07 | N08 | 179.6° | 179.8° |
| C12 | C11 | C07 | C06 | 0.1° | 0.3° |
| C11 | C12 | C04 | C02 | 178.1° | 179.8° |
| C11 | C12 | C04 | C05 | 0.1° | 0.6° |
| C12 | C11 | C10 | H6 | 0.3° | 0.4° |
| C07 | C11 | C12 | C04 | 0.0° | 0.6° |
| C11 | C07 | N08 | C06 | 179.7° | 179.9° |
| C11 | C07 | C06 | C05 | 0.3° | 0.1° |
| C11 | C07 | C06 | H3 | 179.8° | 180.0° |
| C11 | C07 | N08 | H4 | 179.6° | 180.0° |
| C07 | C11 | C10 | H6 | 179.6° | 180.0° |
| C07 | C11 | C12 | H7 | 180.0° | 179.6° |
| C12 | C04 | C02 | C05 | 178.0° | 179.7° |
| C12 | C04 | C02 | O03 | 128.6° | 179.5° |
| C12 | C04 | C05 | C06 | 0.3° | 0.3° |
| C12 | C04 | C05 | H2 | 179.7° | 179.8° |
| N08 | C07 | C06 | C05 | 179.4° | 180.0° |
| N08 | C07 | C06 | H3 | 0.6° | 0.1° |
| C07 | N08 | C09 | H5 | 179.9° | 180.0° |
| C07 | C06 | C05 | C04 | 0.4° | 0.1° |
| C07 | C06 | C05 | H3 | 180.0° | 179.9° |
| C07 | C06 | C05 | H2 | 179.6° | 180.0° |
| C06 | C07 | N08 | H4 | 0.0° | 0.1° |
| C02 | C04 | C05 | C06 | 178.4° | 180.0° |
| C04 | C02 | O03 | H1 | 159.1° | 179.7° |
| C02 | C04 | C05 | H2 | 1.6° | 0.1° |
| C02 | C04 | C12 | H7 | 1.9° | 0.1° |
| C05 | C04 | C02 | O03 | 49.4° | 0.2° |
| C04 | C05 | C06 | H2 | 180.0° | 179.9° |
| C04 | C05 | C06 | H3 | 179.6° | 180.0° |
| C05 | C04 | C12 | H7 | 179.9° | 179.6° |
| H2 | C05 | C06 | H3 | 0.4° | 0.1° |
| H4 | N08 | C09 | H5 | 0.1° | 0.0° |
| H5 | C09 | C10 | H6 | 0.2° | 0.1° |
