WWR
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C07 | C08 | sing | 1.51Å | 1.53Å | |
| C07 | N06 | sing | 1.46Å | 1.46Å | |
| C09 | C08 | doub | 1.38Å | 1.38Å | Aromatic |
| C09 | C10 | sing | 1.38Å | 1.39Å | Aromatic |
| C08 | C13 | sing | 1.38Å | 1.40Å | Aromatic |
| C10 | C11 | doub | 1.38Å | 1.40Å | Aromatic |
| C13 | C12 | doub | 1.38Å | 1.39Å | Aromatic |
| N06 | C02 | sing | 1.35Å | 1.46Å | |
| N06 | C05 | sing | 1.39Å | 1.45Å | |
| O01 | C02 | doub | 1.22Å | 1.18Å | |
| C11 | C12 | sing | 1.38Å | 1.39Å | Aromatic |
| C02 | N03 | sing | 1.35Å | 1.47Å | |
| C05 | C04 | doub | 1.33Å | 1.48Å | |
| N03 | C04 | sing | 1.39Å | 1.45Å | |
| C10 | H1 | sing | 1.08Å | 1.08Å | |
| C13 | H2 | sing | 1.08Å | 1.08Å | |
| N03 | H3 | sing | 0.97Å | 1.00Å | |
| C04 | H4 | sing | 1.08Å | 1.08Å | |
| C05 | H5 | sing | 1.08Å | 1.08Å | |
| C07 | H6 | sing | 1.09Å | 1.10Å | |
| C07 | H7 | sing | 1.09Å | 1.10Å | |
| C09 | H8 | sing | 1.08Å | 1.08Å | |
| C11 | H9 | sing | 1.08Å | 1.08Å | |
| C12 | H10 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C08 | C07 | N06 | 105.7° | 109.5° |
| C07 | C08 | C09 | 118.6° | 120.0° |
| C07 | C08 | C13 | 119.8° | 120.0° |
| C08 | C07 | H6 | 110.4° | 109.4° |
| C08 | C07 | H7 | 110.4° | 109.5° |
| C07 | N06 | C02 | 124.8° | 125.9° |
| C07 | N06 | C05 | 127.0° | 126.0° |
| N06 | C07 | H6 | 110.4° | 109.4° |
| N06 | C07 | H7 | 110.4° | 109.5° |
| C08 | C09 | C10 | 118.9° | 120.0° |
| C09 | C08 | C13 | 121.6° | 120.0° |
| C08 | C09 | H8 | 120.6° | 120.0° |
| C09 | C10 | C11 | 120.1° | 119.9° |
| C09 | C10 | H1 | 119.9° | 120.0° |
| C10 | C09 | H8 | 120.5° | 120.0° |
| C08 | C13 | C12 | 119.5° | 120.0° |
| C08 | C13 | H2 | 120.2° | 120.0° |
| C10 | C11 | C12 | 120.8° | 120.0° |
| C11 | C10 | H1 | 119.9° | 120.1° |
| C10 | C11 | H9 | 119.6° | 119.9° |
| C13 | C12 | C11 | 118.9° | 120.0° |
| C12 | C13 | H2 | 120.2° | 120.0° |
| C13 | C12 | H10 | 120.6° | 120.0° |
| C02 | N06 | C05 | 108.1° | 108.0° |
| N06 | C02 | O01 | 125.0° | 126.0° |
| N06 | C02 | N03 | 107.0° | 108.1° |
| N06 | C05 | C04 | 109.2° | 108.0° |
| N06 | C05 | H5 | 125.4° | 126.0° |
| O01 | C02 | N03 | 128.0° | 125.9° |
| C12 | C11 | H9 | 119.6° | 120.0° |
| C11 | C12 | H10 | 120.6° | 120.0° |
| C02 | N03 | C04 | 109.9° | 108.0° |
| C02 | N03 | H3 | 125.1° | 126.0° |
| C05 | C04 | N03 | 105.8° | 107.9° |
| C05 | C04 | H4 | 127.1° | 126.1° |
| C04 | C05 | H5 | 125.4° | 126.0° |
| C04 | N03 | H3 | 125.1° | 126.0° |
| N03 | C04 | H4 | 127.1° | 126.1° |
| H6 | C07 | H7 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C08 | C07 | N06 | H6 | 119.4° | 120.0° |
| C08 | C07 | N06 | H7 | 119.4° | 120.1° |
| C07 | C08 | C09 | C13 | 178.0° | 179.1° |
| C07 | C08 | C09 | C10 | 179.6° | 179.7° |
| C07 | C08 | C13 | C12 | 179.9° | 180.0° |
| C08 | C07 | N06 | C02 | 109.8° | 90.0° |
| C08 | C07 | N06 | C05 | 67.0° | 89.8° |
| C07 | C08 | C13 | H2 | 0.1° | 0.5° |
| C08 | C07 | H6 | H7 | 121.7° | 120.0° |
| C07 | C08 | C09 | H8 | 0.4° | 0.3° |
| N06 | C07 | C08 | C09 | 102.6° | 89.2° |
| N06 | C07 | C08 | C13 | 75.4° | 90.0° |
| C07 | N06 | C02 | C05 | 177.3° | 179.8° |
| C07 | N06 | C02 | O01 | 0.0° | 0.1° |
| C07 | N06 | C02 | N03 | 178.9° | 179.7° |
| C07 | N06 | C05 | C04 | 177.8° | 179.7° |
| C07 | N06 | C05 | H5 | 2.2° | 0.0° |
| N06 | C07 | H6 | H7 | 121.7° | 120.0° |
| C08 | C09 | C10 | H8 | 180.0° | 179.9° |
| C08 | C09 | C10 | C11 | 0.8° | 0.1° |
| C09 | C08 | C13 | C12 | 2.1° | 0.8° |
| C08 | C09 | C10 | H1 | 179.2° | 179.7° |
| C09 | C08 | C13 | H2 | 177.9° | 179.7° |
| C09 | C08 | C07 | H6 | 138.0° | 150.9° |
| C09 | C08 | C07 | H7 | 16.8° | 30.9° |
| C10 | C09 | C08 | C13 | 1.6° | 0.6° |
| C09 | C10 | C11 | H1 | 180.0° | 179.8° |
| C09 | C10 | C11 | C12 | 0.7° | 0.2° |
| C09 | C10 | C11 | H9 | 179.3° | 179.7° |
| C08 | C13 | C12 | H2 | 180.0° | 179.5° |
| C08 | C13 | C12 | C11 | 1.9° | 0.6° |
| C13 | C08 | C07 | H6 | 44.0° | 30.0° |
| C13 | C08 | C07 | H7 | 165.2° | 150.0° |
| C13 | C08 | C09 | H8 | 178.4° | 179.5° |
| C08 | C13 | C12 | H10 | 178.1° | 180.0° |
| C10 | C11 | C12 | C13 | 1.3° | 0.0° |
| C10 | C11 | C12 | H9 | 180.0° | 180.0° |
| C11 | C10 | C09 | H8 | 179.2° | 180.0° |
| C10 | C11 | C12 | H10 | 178.8° | 179.5° |
| C13 | C12 | C11 | H10 | 180.0° | 179.4° |
| C13 | C12 | C11 | H9 | 178.8° | 180.0° |
| N06 | C02 | O01 | N03 | 178.7° | 179.6° |
| C02 | N06 | C05 | C04 | 0.5° | 0.5° |
| N06 | C02 | N03 | C04 | 2.1° | 0.3° |
| N06 | C02 | N03 | H3 | 177.9° | 179.7° |
| C02 | N06 | C05 | H5 | 179.5° | 179.8° |
| C02 | N06 | C07 | H6 | 9.6° | 150.1° |
| C02 | N06 | C07 | H7 | 130.8° | 30.1° |
| C05 | N06 | C02 | O01 | 177.4° | 179.9° |
| C05 | N06 | C02 | N03 | 1.6° | 0.4° |
| N06 | C05 | C04 | H5 | 180.0° | 179.7° |
| N06 | C05 | C04 | N03 | 0.7° | 0.3° |
| N06 | C05 | C04 | H4 | 179.2° | 179.8° |
| C05 | N06 | C07 | H6 | 173.6° | 30.2° |
| C05 | N06 | C07 | H7 | 52.4° | 150.1° |
| O01 | C02 | N03 | C04 | 176.8° | 179.9° |
| O01 | C02 | N03 | H3 | 3.2° | 0.1° |
| C12 | C11 | C10 | H1 | 179.3° | 180.0° |
| C11 | C12 | C13 | H2 | 178.1° | 179.9° |
| C02 | N03 | C04 | C05 | 1.7° | 0.0° |
| C02 | N03 | C04 | H3 | 180.0° | 180.0° |
| C02 | N03 | C04 | H4 | 178.2° | 180.0° |
| C05 | C04 | N03 | H4 | 180.0° | 180.0° |
| C05 | C04 | N03 | H3 | 178.3° | 180.0° |
| N03 | C04 | C05 | H5 | 179.3° | 180.0° |
| H1 | C10 | C09 | H8 | 0.8° | 0.2° |
| H1 | C10 | C11 | H9 | 0.7° | 0.1° |
| H2 | C13 | C12 | H10 | 1.9° | 0.5° |
| H3 | N03 | C04 | H4 | 1.8° | 0.0° |
| H4 | C04 | C05 | H5 | 0.8° | 0.1° |
| H9 | C11 | C12 | H10 | 1.2° | 0.6° |
