9WB
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C21 | C23 | doub | 1.38Å | 1.38Å | Aromatic |
| C21 | C19 | sing | 1.38Å | 1.38Å | Aromatic |
| C23 | C25 | sing | 1.38Å | 1.38Å | Aromatic |
| C19 | C18 | doub | 1.39Å | 1.39Å | Aromatic |
| C25 | C27 | doub | 1.38Å | 1.38Å | Aromatic |
| C18 | C27 | sing | 1.39Å | 1.39Å | Aromatic |
| C18 | C10 | sing | 1.48Å | 1.48Å | |
| O09 | C08 | doub | 1.22Å | 1.21Å | |
| C10 | C08 | sing | 1.47Å | 1.45Å | |
| C10 | C11 | doub | 1.36Å | 1.38Å | |
| C12 | C11 | sing | 1.51Å | 1.50Å | |
| C08 | C06 | sing | 1.41Å | 1.44Å | |
| C11 | N16 | sing | 1.35Å | 1.38Å | |
| C06 | C05 | doub | 1.35Å | 1.35Å | |
| N16 | C05 | sing | 1.35Å | 1.36Å | |
| C05 | C01 | sing | 1.51Å | 1.49Å | |
| C21 | H22 | sing | 1.08Å | 1.08Å | |
| C01 | H02 | sing | 1.09Å | 1.10Å | |
| C01 | H03 | sing | 1.09Å | 1.10Å | |
| C01 | H04 | sing | 1.09Å | 1.10Å | |
| C06 | H07 | sing | 1.08Å | 1.08Å | |
| C12 | H13 | sing | 1.09Å | 1.10Å | |
| C12 | H14 | sing | 1.09Å | 1.10Å | |
| C12 | H15 | sing | 1.09Å | 1.10Å | |
| N16 | H17 | sing | 0.97Å | 1.00Å | |
| C19 | H20 | sing | 1.08Å | 1.08Å | |
| C23 | H24 | sing | 1.08Å | 1.08Å | |
| C25 | H26 | sing | 1.08Å | 1.08Å | |
| C27 | H28 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C23 | C21 | C19 | 120.3° | 120.1° |
| C21 | C23 | C25 | 120.0° | 120.3° |
| C23 | C21 | H22 | 119.9° | 119.9° |
| C21 | C23 | H24 | 120.0° | 119.9° |
| C21 | C19 | C18 | 120.4° | 119.9° |
| C19 | C21 | H22 | 119.9° | 120.0° |
| C21 | C19 | H20 | 119.8° | 120.1° |
| C23 | C25 | C27 | 120.2° | 120.1° |
| C25 | C23 | H24 | 120.0° | 119.8° |
| C23 | C25 | H26 | 119.9° | 120.0° |
| C19 | C18 | C27 | 118.9° | 119.7° |
| C19 | C18 | C10 | 120.3° | 120.2° |
| C18 | C19 | H20 | 119.8° | 120.0° |
| C25 | C27 | C18 | 120.3° | 119.9° |
| C27 | C25 | H26 | 119.9° | 119.9° |
| C25 | C27 | H28 | 119.8° | 120.0° |
| C27 | C18 | C10 | 120.7° | 120.1° |
| C18 | C27 | H28 | 119.9° | 120.1° |
| C18 | C10 | C08 | 119.3° | 120.8° |
| C18 | C10 | C11 | 120.4° | 120.8° |
| O09 | C08 | C10 | 122.5° | 121.0° |
| O09 | C08 | C06 | 121.0° | 121.0° |
| C08 | C10 | C11 | 120.3° | 118.5° |
| C10 | C08 | C06 | 116.5° | 118.0° |
| C10 | C11 | C12 | 126.8° | 119.8° |
| C10 | C11 | N16 | 118.3° | 120.4° |
| C12 | C11 | N16 | 114.8° | 119.8° |
| C11 | C12 | H13 | 109.5° | 109.5° |
| C11 | C12 | H14 | 109.5° | 109.5° |
| C11 | C12 | H15 | 109.4° | 109.5° |
| C08 | C06 | C05 | 121.7° | 119.3° |
| C08 | C06 | H07 | 119.2° | 120.4° |
| C11 | N16 | C05 | 123.9° | 122.2° |
| C11 | N16 | H17 | 118.1° | 118.8° |
| C06 | C05 | N16 | 119.3° | 121.6° |
| C06 | C05 | C01 | 123.7° | 119.2° |
| C05 | C06 | H07 | 119.1° | 120.3° |
| N16 | C05 | C01 | 116.9° | 119.2° |
| C05 | N16 | H17 | 118.1° | 119.0° |
| C05 | C01 | H02 | 109.5° | 109.5° |
| C05 | C01 | H03 | 109.5° | 109.5° |
| C05 | C01 | H04 | 109.5° | 109.5° |
| H02 | C01 | H03 | 109.4° | 109.4° |
| H02 | C01 | H04 | 109.4° | 109.5° |
| H03 | C01 | H04 | 109.5° | 109.5° |
| H13 | C12 | H14 | 109.5° | 109.5° |
| H13 | C12 | H15 | 109.5° | 109.5° |
| H14 | C12 | H15 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C23 | C21 | C19 | H22 | 180.0° | 179.6° |
| C21 | C23 | C25 | H24 | 180.0° | 180.0° |
| C23 | C21 | C19 | C18 | 0.4° | 0.0° |
| C21 | C23 | C25 | C27 | 0.2° | 0.0° |
| C23 | C21 | C19 | H20 | 179.6° | 180.0° |
| C21 | C23 | C25 | H26 | 179.8° | 180.0° |
| C19 | C21 | C23 | C25 | 0.6° | 0.0° |
| C21 | C19 | C18 | H20 | 180.0° | 180.0° |
| C21 | C19 | C18 | C27 | 0.6° | 0.0° |
| C21 | C19 | C18 | C10 | 176.4° | 180.0° |
| C19 | C21 | C23 | H24 | 179.5° | 180.0° |
| C23 | C25 | C27 | H26 | 180.0° | 180.0° |
| C23 | C25 | C27 | C18 | 1.2° | 0.0° |
| C25 | C23 | C21 | H22 | 179.4° | 179.7° |
| C23 | C25 | C27 | H28 | 178.8° | 180.0° |
| C19 | C18 | C27 | C25 | 1.4° | 0.0° |
| C19 | C18 | C27 | C10 | 175.8° | 180.0° |
| C19 | C18 | C10 | C08 | 108.5° | 115.0° |
| C19 | C18 | C10 | C11 | 71.0° | 65.3° |
| C18 | C19 | C21 | H22 | 179.6° | 179.7° |
| C19 | C18 | C27 | H28 | 178.6° | 180.0° |
| C25 | C27 | C18 | H28 | 180.0° | 180.0° |
| C25 | C27 | C18 | C10 | 177.2° | 180.0° |
| C27 | C25 | C23 | H24 | 179.8° | 180.0° |
| C27 | C18 | C10 | C08 | 75.8° | 65.1° |
| C27 | C18 | C10 | C11 | 104.7° | 114.7° |
| C27 | C18 | C19 | H20 | 179.4° | 180.0° |
| C18 | C27 | C25 | H26 | 178.8° | 180.0° |
| C18 | C10 | C08 | O09 | 2.0° | 0.2° |
| C18 | C10 | C08 | C11 | 179.5° | 179.8° |
| C18 | C10 | C11 | C12 | 0.1° | 0.3° |
| C18 | C10 | C08 | C06 | 179.1° | 179.7° |
| C18 | C10 | C11 | N16 | 177.9° | 179.8° |
| C10 | C18 | C19 | H20 | 3.6° | 0.0° |
| C10 | C18 | C27 | H28 | 2.8° | 0.0° |
| O09 | C08 | C10 | C06 | 178.9° | 180.0° |
| O09 | C08 | C10 | C11 | 178.5° | 180.0° |
| O09 | C08 | C06 | C05 | 178.9° | 180.0° |
| O09 | C08 | C06 | H07 | 1.1° | 0.0° |
| C08 | C10 | C11 | C12 | 179.4° | 180.0° |
| C08 | C10 | C11 | N16 | 1.6° | 0.0° |
| C10 | C08 | C06 | C05 | 0.1° | 0.1° |
| C10 | C08 | C06 | H07 | 180.0° | 180.0° |
| C10 | C11 | C12 | N16 | 177.9° | 179.9° |
| C11 | C10 | C08 | C06 | 0.4° | 0.0° |
| C10 | C11 | N16 | C05 | 2.5° | 0.1° |
| C10 | C11 | C12 | H13 | 180.0° | 90.0° |
| C10 | C11 | C12 | H14 | 60.0° | 150.0° |
| C10 | C11 | C12 | H15 | 60.0° | 30.0° |
| C10 | C11 | N16 | H17 | 177.5° | 180.0° |
| C12 | C11 | N16 | C05 | 179.4° | 180.0° |
| C11 | C12 | H13 | H14 | 120.0° | 120.0° |
| C11 | C12 | H13 | H15 | 120.0° | 120.0° |
| C11 | C12 | H14 | H15 | 120.0° | 120.0° |
| C12 | C11 | N16 | H17 | 0.6° | 0.1° |
| C08 | C06 | C05 | H07 | 180.0° | 180.0° |
| C08 | C06 | C05 | N16 | 0.9° | 0.0° |
| C08 | C06 | C05 | C01 | 179.1° | 180.0° |
| C11 | N16 | C05 | C06 | 2.2° | 0.0° |
| C11 | N16 | C05 | H17 | 180.0° | 179.9° |
| C11 | N16 | C05 | C01 | 179.5° | 180.0° |
| N16 | C11 | C12 | H13 | 2.1° | 89.9° |
| N16 | C11 | C12 | H14 | 117.9° | 30.1° |
| N16 | C11 | C12 | H15 | 122.1° | 150.0° |
| C06 | C05 | N16 | C01 | 178.3° | 180.0° |
| C06 | C05 | C01 | H02 | 180.0° | 0.0° |
| C06 | C05 | C01 | H03 | 60.0° | 120.0° |
| C06 | C05 | C01 | H04 | 60.0° | 120.0° |
| C06 | C05 | N16 | H17 | 177.8° | 180.0° |
| N16 | C05 | C01 | H02 | 1.7° | 180.0° |
| N16 | C05 | C01 | H03 | 121.7° | 60.0° |
| N16 | C05 | C01 | H04 | 118.2° | 60.0° |
| N16 | C05 | C06 | H07 | 179.1° | 180.0° |
| C05 | C01 | H02 | H03 | 120.0° | 120.0° |
| C05 | C01 | H02 | H04 | 120.0° | 120.0° |
| C05 | C01 | H03 | H04 | 120.0° | 120.0° |
| C01 | C05 | C06 | H07 | 0.9° | 0.0° |
| C01 | C05 | N16 | H17 | 0.5° | 0.0° |
| H22 | C21 | C19 | H20 | 0.4° | 0.3° |
| H22 | C21 | C23 | H24 | 0.6° | 0.3° |
| H02 | C01 | H03 | H04 | 120.0° | 120.0° |
| H13 | C12 | H14 | H15 | 120.0° | 120.0° |
| H24 | C23 | C25 | H26 | 0.2° | 0.0° |
| H26 | C25 | C27 | H28 | 1.2° | 0.0° |
