GNM
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C11 | C10 | sing | 1.39Å | 1.39Å | Aromatic |
| C11 | C12 | doub | 1.38Å | 1.39Å | Aromatic |
| C10 | C08 | doub | 1.38Å | 1.39Å | Aromatic |
| C12 | C13 | sing | 1.39Å | 1.41Å | Aromatic |
| C08 | BR9 | sing | 1.89Å | 1.94Å | |
| C08 | C07 | sing | 1.39Å | 1.41Å | Aromatic |
| C13 | C07 | doub | 1.41Å | 1.37Å | Aromatic |
| C13 | C14 | sing | 1.47Å | 1.41Å | |
| C07 | N06 | sing | 1.38Å | 1.35Å | |
| O15 | C14 | doub | 1.22Å | 1.19Å | |
| C14 | C04 | sing | 1.47Å | 1.40Å | |
| N06 | C05 | sing | 1.34Å | 1.32Å | |
| C04 | C05 | doub | 1.38Å | 1.39Å | |
| C04 | C02 | sing | 1.47Å | 1.52Å | |
| O01 | C02 | doub | 1.22Å | 1.25Å | |
| C02 | O03 | sing | 1.35Å | 1.26Å | |
| C10 | H1 | sing | 1.08Å | 1.08Å | |
| C11 | H4 | sing | 1.08Å | 1.08Å | |
| C12 | H5 | sing | 1.08Å | 1.08Å | |
| O03 | H6 | sing | 0.97Å | 0.95Å | |
| N06 | H2 | sing | 0.97Å | 1.00Å | |
| C05 | H3 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C10 | C11 | C12 | 119.9° | 120.3° |
| C11 | C10 | C08 | 119.5° | 120.8° |
| C11 | C10 | H1 | 120.3° | 119.6° |
| C10 | C11 | H4 | 120.1° | 119.9° |
| C11 | C12 | C13 | 120.4° | 119.6° |
| C12 | C11 | H4 | 120.0° | 119.8° |
| C11 | C12 | H5 | 119.8° | 120.2° |
| C10 | C08 | BR9 | 121.0° | 120.1° |
| C10 | C08 | C07 | 120.5° | 119.9° |
| C08 | C10 | H1 | 120.2° | 119.7° |
| C12 | C13 | C07 | 119.5° | 120.2° |
| C12 | C13 | C14 | 121.0° | 121.2° |
| C13 | C12 | H5 | 119.8° | 120.2° |
| BR9 | C08 | C07 | 118.5° | 120.0° |
| C08 | C07 | C13 | 120.2° | 119.2° |
| C08 | C07 | N06 | 118.2° | 120.5° |
| C07 | C13 | C14 | 119.6° | 118.6° |
| C13 | C07 | N06 | 121.6° | 120.3° |
| C13 | C14 | O15 | 120.3° | 121.4° |
| C13 | C14 | C04 | 117.8° | 117.2° |
| C07 | N06 | C05 | 119.9° | 122.8° |
| C07 | N06 | H2 | 120.1° | 118.5° |
| O15 | C14 | C04 | 122.0° | 121.5° |
| C14 | C04 | C05 | 118.8° | 118.9° |
| C14 | C04 | C02 | 122.7° | 120.5° |
| N06 | C05 | C04 | 122.4° | 122.2° |
| C05 | N06 | H2 | 120.0° | 118.7° |
| N06 | C05 | H3 | 118.8° | 118.8° |
| C05 | C04 | C02 | 118.4° | 120.6° |
| C04 | C05 | H3 | 118.8° | 118.9° |
| C04 | C02 | O01 | 120.6° | 120.0° |
| C04 | C02 | O03 | 119.4° | 120.0° |
| O01 | C02 | O03 | 119.9° | 120.0° |
| C02 | O03 | H6 | 109.5° | 117.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C10 | C11 | C12 | H4 | 180.0° | 179.9° |
| C11 | C10 | C08 | H1 | 180.0° | 179.7° |
| C10 | C11 | C12 | C13 | 0.0° | 0.0° |
| C11 | C10 | C08 | BR9 | 179.8° | 179.7° |
| C11 | C10 | C08 | C07 | 0.3° | 0.3° |
| C10 | C11 | C12 | H5 | 180.0° | 180.0° |
| C12 | C11 | C10 | C08 | 0.1° | 0.1° |
| C11 | C12 | C13 | H5 | 180.0° | 180.0° |
| C11 | C12 | C13 | C07 | 0.0° | 0.3° |
| C11 | C12 | C13 | C14 | 179.6° | 179.7° |
| C12 | C11 | C10 | H1 | 179.9° | 179.7° |
| C10 | C08 | BR9 | C07 | 179.5° | 180.0° |
| C10 | C08 | C07 | C13 | 0.4° | 0.5° |
| C10 | C08 | C07 | N06 | 180.0° | 179.5° |
| C08 | C10 | C11 | H4 | 179.9° | 180.0° |
| C12 | C13 | C07 | C08 | 0.2° | 0.5° |
| C12 | C13 | C07 | C14 | 179.6° | 179.5° |
| C12 | C13 | C07 | N06 | 179.9° | 179.5° |
| C12 | C13 | C14 | O15 | 0.3° | 0.5° |
| C12 | C13 | C14 | C04 | 179.8° | 179.5° |
| C13 | C12 | C11 | H4 | 180.0° | 180.0° |
| BR9 | C08 | C07 | C13 | 179.8° | 179.5° |
| BR9 | C08 | C07 | N06 | 0.5° | 0.5° |
| BR9 | C08 | C10 | H1 | 0.2° | 0.0° |
| C08 | C07 | C13 | N06 | 179.7° | 180.0° |
| C08 | C07 | C13 | C14 | 179.4° | 180.0° |
| C08 | C07 | N06 | C05 | 179.6° | 180.0° |
| C07 | C08 | C10 | H1 | 179.7° | 180.0° |
| C08 | C07 | N06 | H2 | 0.3° | 0.1° |
| C07 | C13 | C14 | O15 | 180.0° | 180.0° |
| C07 | C13 | C14 | C04 | 0.1° | 0.0° |
| C13 | C07 | N06 | C05 | 0.0° | 0.0° |
| C07 | C13 | C12 | H5 | 180.0° | 179.7° |
| C13 | C07 | N06 | H2 | 180.0° | 179.9° |
| C14 | C13 | C07 | N06 | 0.2° | 0.0° |
| C13 | C14 | O15 | C04 | 179.9° | 180.0° |
| C13 | C14 | C04 | C05 | 0.1° | 0.0° |
| C13 | C14 | C04 | C02 | 179.6° | 180.0° |
| C14 | C13 | C12 | H5 | 0.4° | 0.2° |
| C07 | N06 | C05 | H2 | 180.0° | 179.9° |
| C07 | N06 | C05 | C04 | 0.3° | 0.0° |
| C07 | N06 | C05 | H3 | 179.7° | 180.0° |
| O15 | C14 | C04 | C05 | 179.7° | 180.0° |
| O15 | C14 | C04 | C02 | 0.3° | 0.0° |
| C14 | C04 | C05 | N06 | 0.3° | 0.0° |
| C14 | C04 | C05 | C02 | 179.5° | 180.0° |
| C14 | C04 | C02 | O01 | 20.3° | 180.0° |
| C14 | C04 | C02 | O03 | 159.9° | 0.0° |
| C14 | C04 | C05 | H3 | 179.6° | 180.0° |
| N06 | C05 | C04 | H3 | 180.0° | 179.9° |
| N06 | C05 | C04 | C02 | 179.9° | 180.0° |
| C05 | C04 | C02 | O01 | 160.2° | 0.0° |
| C05 | C04 | C02 | O03 | 19.6° | 180.0° |
| C04 | C05 | N06 | H2 | 179.7° | 180.0° |
| C04 | C02 | O01 | O03 | 179.8° | 180.0° |
| C04 | C02 | O03 | H6 | 179.7° | 180.0° |
| C02 | C04 | C05 | H3 | 0.1° | 0.0° |
| O01 | C02 | O03 | H6 | 0.0° | 0.0° |
| H1 | C10 | C11 | H4 | 0.1° | 0.4° |
| H4 | C11 | C12 | H5 | 0.0° | 0.0° |
| H2 | N06 | C05 | H3 | 0.3° | 0.1° |
