9W5
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C01 | C02 | sing | 1.51Å | 1.50Å | |
| C02 | C03 | sing | 1.40Å | 1.40Å | Aromatic |
| C02 | N14 | doub | 1.31Å | 1.33Å | Aromatic |
| C03 | C04 | doub | 1.36Å | 1.36Å | Aromatic |
| N14 | N06 | sing | 1.40Å | 1.37Å | Aromatic |
| C04 | N06 | sing | 1.35Å | 1.36Å | Aromatic |
| C04 | N05 | sing | 1.39Å | 1.36Å | |
| N06 | C07 | sing | 1.46Å | 1.47Å | |
| C07 | C08 | sing | 1.51Å | 1.51Å | |
| C08 | C13 | doub | 1.38Å | 1.39Å | Aromatic |
| C08 | C09 | sing | 1.38Å | 1.39Å | Aromatic |
| C13 | C12 | sing | 1.38Å | 1.39Å | Aromatic |
| C09 | C10 | doub | 1.38Å | 1.39Å | Aromatic |
| C12 | C11 | doub | 1.38Å | 1.39Å | Aromatic |
| C10 | C11 | sing | 1.38Å | 1.38Å | Aromatic |
| C10 | H1 | sing | 1.08Å | 1.08Å | |
| C13 | H2 | sing | 1.08Å | 1.08Å | |
| C01 | H3 | sing | 1.09Å | 1.10Å | |
| C01 | H4 | sing | 1.09Å | 1.10Å | |
| C01 | H5 | sing | 1.09Å | 1.10Å | |
| C03 | H6 | sing | 1.08Å | 1.08Å | |
| N05 | H7 | sing | 0.97Å | 1.00Å | |
| N05 | H8 | sing | 0.97Å | 1.00Å | |
| C07 | H9 | sing | 1.09Å | 1.10Å | |
| C07 | H10 | sing | 1.09Å | 1.10Å | |
| C09 | H11 | sing | 1.08Å | 1.08Å | |
| C11 | H12 | sing | 1.08Å | 1.08Å | |
| C12 | H13 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C01 | C02 | C03 | 128.4° | 125.9° |
| C01 | C02 | N14 | 120.4° | 125.8° |
| C02 | C01 | H3 | 109.5° | 109.5° |
| C02 | C01 | H4 | 109.5° | 109.5° |
| C02 | C01 | H5 | 109.5° | 109.5° |
| C03 | C02 | N14 | 111.2° | 108.3° |
| C02 | C03 | C04 | 105.2° | 107.8° |
| C02 | C03 | H6 | 127.4° | 126.1° |
| C02 | N14 | N06 | 105.5° | 108.4° |
| C03 | C04 | N06 | 107.8° | 107.5° |
| C03 | C04 | N05 | 131.2° | 126.2° |
| C04 | C03 | H6 | 127.4° | 126.1° |
| N14 | N06 | C04 | 110.3° | 107.9° |
| N14 | N06 | C07 | 117.7° | 126.0° |
| N06 | C04 | N05 | 120.9° | 126.2° |
| C04 | N06 | C07 | 132.0° | 126.1° |
| C04 | N05 | H7 | 109.5° | 120.0° |
| C04 | N05 | H8 | 109.5° | 119.9° |
| N06 | C07 | C08 | 112.9° | 109.5° |
| N06 | C07 | H9 | 108.6° | 109.5° |
| N06 | C07 | H10 | 108.6° | 109.5° |
| C07 | C08 | C13 | 121.1° | 120.0° |
| C07 | C08 | C09 | 120.4° | 120.0° |
| C08 | C07 | H9 | 108.6° | 109.5° |
| C08 | C07 | H10 | 108.6° | 109.4° |
| C13 | C08 | C09 | 118.4° | 120.0° |
| C08 | C13 | C12 | 120.8° | 120.0° |
| C08 | C13 | H2 | 119.6° | 120.0° |
| C08 | C09 | C10 | 120.8° | 120.0° |
| C08 | C09 | H11 | 119.6° | 120.0° |
| C13 | C12 | C11 | 120.1° | 120.0° |
| C12 | C13 | H2 | 119.6° | 120.0° |
| C13 | C12 | H13 | 120.0° | 120.0° |
| C09 | C10 | C11 | 120.4° | 120.0° |
| C09 | C10 | H1 | 119.8° | 120.0° |
| C10 | C09 | H11 | 119.6° | 120.0° |
| C12 | C11 | C10 | 119.6° | 120.0° |
| C12 | C11 | H12 | 120.2° | 120.0° |
| C11 | C12 | H13 | 120.0° | 120.0° |
| C11 | C10 | H1 | 119.8° | 120.0° |
| C10 | C11 | H12 | 120.2° | 120.0° |
| H3 | C01 | H4 | 109.4° | 109.5° |
| H3 | C01 | H5 | 109.5° | 109.4° |
| H4 | C01 | H5 | 109.5° | 109.5° |
| H7 | N05 | H8 | 109.4° | 120.1° |
| H9 | C07 | H10 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C01 | C02 | C03 | N14 | 177.9° | 179.7° |
| C01 | C02 | C03 | C04 | 178.4° | 180.0° |
| C01 | C02 | N14 | N06 | 178.3° | 179.9° |
| C02 | C01 | H3 | H4 | 120.0° | 120.0° |
| C02 | C01 | H3 | H5 | 120.0° | 120.0° |
| C02 | C01 | H4 | H5 | 120.0° | 120.0° |
| C01 | C02 | C03 | H6 | 1.6° | 0.0° |
| C02 | C03 | C04 | H6 | 180.0° | 180.0° |
| C03 | C02 | N14 | N06 | 0.2° | 0.4° |
| C02 | C03 | C04 | N06 | 0.6° | 0.0° |
| C02 | C03 | C04 | N05 | 175.1° | 180.0° |
| C03 | C02 | C01 | H3 | 177.7° | 89.9° |
| C03 | C02 | C01 | H4 | 57.7° | 150.0° |
| C03 | C02 | C01 | H5 | 62.3° | 30.0° |
| N14 | C02 | C03 | C04 | 0.5° | 0.2° |
| C02 | N14 | N06 | C04 | 0.2° | 0.4° |
| C02 | N14 | N06 | C07 | 178.4° | 179.9° |
| N14 | C02 | C01 | H3 | 0.0° | 90.4° |
| N14 | C02 | C01 | H4 | 120.0° | 29.7° |
| N14 | C02 | C01 | H5 | 120.0° | 149.7° |
| N14 | C02 | C03 | H6 | 179.5° | 179.8° |
| C03 | C04 | N06 | N14 | 0.5° | 0.3° |
| C03 | C04 | N06 | N05 | 176.2° | 180.0° |
| C03 | C04 | N06 | C07 | 178.4° | 180.0° |
| C03 | C04 | N05 | H7 | 180.0° | 0.0° |
| C03 | C04 | N05 | H8 | 60.0° | 180.0° |
| N14 | N06 | C04 | C07 | 177.9° | 179.7° |
| N14 | N06 | C04 | N05 | 175.7° | 179.7° |
| N14 | N06 | C07 | C08 | 101.6° | 89.7° |
| N14 | N06 | C07 | H9 | 137.9° | 30.3° |
| N14 | N06 | C07 | H10 | 18.9° | 150.3° |
| C04 | N06 | C07 | C08 | 76.2° | 89.9° |
| N06 | C04 | C03 | H6 | 179.4° | 180.0° |
| N06 | C04 | N05 | H7 | 4.8° | 180.0° |
| N06 | C04 | N05 | H8 | 115.2° | 0.0° |
| C04 | N06 | C07 | H9 | 44.3° | 150.0° |
| C04 | N06 | C07 | H10 | 163.2° | 30.0° |
| N05 | C04 | N06 | C07 | 2.2° | 0.0° |
| N05 | C04 | C03 | H6 | 4.9° | 0.1° |
| C04 | N05 | H7 | H8 | 120.0° | 180.0° |
| N06 | C07 | C08 | H9 | 120.5° | 120.1° |
| N06 | C07 | C08 | H10 | 120.5° | 120.0° |
| N06 | C07 | C08 | C13 | 20.8° | 90.1° |
| N06 | C07 | C08 | C09 | 157.1° | 89.2° |
| N06 | C07 | H9 | H10 | 118.4° | 120.0° |
| C07 | C08 | C13 | C09 | 177.9° | 179.3° |
| C07 | C08 | C13 | C12 | 179.2° | 180.0° |
| C07 | C08 | C09 | C10 | 179.7° | 179.7° |
| C07 | C08 | C13 | H2 | 0.8° | 0.5° |
| C08 | C07 | H9 | H10 | 118.4° | 119.9° |
| C07 | C08 | C09 | H11 | 0.3° | 0.2° |
| C08 | C13 | C12 | H2 | 180.0° | 179.5° |
| C13 | C08 | C09 | C10 | 1.7° | 0.5° |
| C08 | C13 | C12 | C11 | 0.2° | 0.5° |
| C13 | C08 | C07 | H9 | 141.3° | 30.0° |
| C13 | C08 | C07 | H10 | 99.7° | 150.0° |
| C13 | C08 | C09 | H11 | 178.3° | 179.5° |
| C08 | C13 | C12 | H13 | 179.8° | 180.0° |
| C09 | C08 | C13 | C12 | 1.3° | 0.7° |
| C08 | C09 | C10 | H11 | 180.0° | 180.0° |
| C08 | C09 | C10 | C11 | 0.7° | 0.0° |
| C08 | C09 | C10 | H1 | 179.3° | 179.8° |
| C09 | C08 | C13 | H2 | 178.7° | 179.8° |
| C09 | C08 | C07 | H9 | 36.6° | 150.7° |
| C09 | C08 | C07 | H10 | 82.4° | 30.8° |
| C13 | C12 | C11 | H13 | 180.0° | 179.5° |
| C13 | C12 | C11 | C10 | 1.2° | 0.0° |
| C13 | C12 | C11 | H12 | 178.8° | 180.0° |
| C09 | C10 | C11 | C12 | 0.8° | 0.3° |
| C09 | C10 | C11 | H1 | 180.0° | 179.8° |
| C09 | C10 | C11 | H12 | 179.3° | 179.7° |
| C12 | C11 | C10 | H12 | 180.0° | 180.0° |
| C12 | C11 | C10 | H1 | 179.2° | 180.0° |
| C11 | C12 | C13 | H2 | 179.8° | 180.0° |
| C11 | C10 | C09 | H11 | 179.3° | 180.0° |
| C10 | C11 | C12 | H13 | 178.8° | 179.5° |
| H1 | C10 | C09 | H11 | 0.7° | 0.3° |
| H1 | C10 | C11 | H12 | 0.7° | 0.0° |
| H2 | C13 | C12 | H13 | 0.2° | 0.5° |
| H3 | C01 | H4 | H5 | 120.0° | 119.9° |
| H12 | C11 | C12 | H13 | 1.2° | 0.5° |
