BVU
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C14 | C15 | doub | 1.38Å | 1.39Å | Aromatic |
| C14 | C13 | sing | 1.38Å | 1.39Å | Aromatic |
| C15 | C9 | sing | 1.39Å | 1.39Å | Aromatic |
| C13 | C12 | doub | 1.38Å | 1.38Å | Aromatic |
| C27 | C28 | doub | 1.38Å | 1.39Å | Aromatic |
| C27 | C26 | sing | 1.38Å | 1.38Å | Aromatic |
| F7 | C6 | sing | 1.35Å | 1.29Å | |
| C28 | C23 | sing | 1.39Å | 1.41Å | Aromatic |
| O22 | C21 | doub | 1.22Å | 1.21Å | |
| C26 | C25 | doub | 1.39Å | 1.40Å | Aromatic |
| C9 | C8 | sing | 1.48Å | 1.47Å | |
| C9 | C10 | doub | 1.40Å | 1.42Å | Aromatic |
| C6 | C8 | doub | 1.40Å | 1.42Å | Aromatic |
| C6 | C5 | sing | 1.38Å | 1.43Å | Aromatic |
| C12 | C10 | sing | 1.38Å | 1.42Å | Aromatic |
| C23 | C21 | sing | 1.48Å | 1.50Å | |
| C23 | C24 | doub | 1.41Å | 1.40Å | Aromatic |
| C8 | C2 | sing | 1.40Å | 1.42Å | Aromatic |
| C21 | C20 | sing | 1.47Å | 1.48Å | |
| C5 | C4 | doub | 1.39Å | 1.40Å | Aromatic |
| C10 | F11 | sing | 1.35Å | 1.29Å | |
| C25 | C24 | sing | 1.39Å | 1.40Å | Aromatic |
| C24 | C29 | sing | 1.48Å | 1.52Å | |
| C2 | F1 | sing | 1.35Å | 1.29Å | |
| C2 | C3 | doub | 1.38Å | 1.42Å | Aromatic |
| C4 | C3 | sing | 1.39Å | 1.39Å | Aromatic |
| C4 | N16 | sing | 1.40Å | 1.43Å | |
| C20 | N16 | sing | 1.36Å | 1.39Å | Aromatic |
| C20 | C19 | doub | 1.39Å | 1.39Å | Aromatic |
| N16 | N17 | sing | 1.29Å | 1.41Å | Aromatic |
| C29 | C19 | sing | 1.48Å | 1.49Å | |
| C29 | O30 | doub | 1.22Å | 1.20Å | |
| C19 | N18 | sing | 1.34Å | 1.42Å | Aromatic |
| N17 | N18 | doub | 1.29Å | 1.28Å | Aromatic |
| C13 | H131 | sing | 1.08Å | 1.08Å | |
| C15 | H151 | sing | 1.08Å | 1.08Å | |
| C26 | H261 | sing | 1.08Å | 1.08Å | |
| C28 | H281 | sing | 1.08Å | 1.08Å | |
| C3 | H031 | sing | 1.08Å | 1.08Å | |
| C5 | H051 | sing | 1.08Å | 1.08Å | |
| C12 | H121 | sing | 1.08Å | 1.08Å | |
| C14 | H141 | sing | 1.08Å | 1.08Å | |
| C25 | H251 | sing | 1.08Å | 1.08Å | |
| C27 | H271 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C15 | C14 | C13 | 120.9° | 120.2° |
| C14 | C15 | C9 | 122.5° | 119.9° |
| C14 | C15 | H151 | 118.7° | 120.1° |
| C15 | C14 | H141 | 119.6° | 119.9° |
| C14 | C13 | C12 | 118.8° | 120.3° |
| C14 | C13 | H131 | 120.6° | 119.8° |
| C13 | C14 | H141 | 119.6° | 119.9° |
| C15 | C9 | C8 | 123.8° | 120.1° |
| C15 | C9 | C10 | 116.2° | 119.7° |
| C9 | C15 | H151 | 118.7° | 120.1° |
| C13 | C12 | C10 | 120.6° | 120.1° |
| C12 | C13 | H131 | 120.6° | 119.9° |
| C13 | C12 | H121 | 119.7° | 119.9° |
| C28 | C27 | C26 | 119.2° | 120.4° |
| C27 | C28 | C23 | 122.3° | 119.9° |
| C27 | C28 | H281 | 118.8° | 120.0° |
| C28 | C27 | H271 | 120.4° | 119.8° |
| C27 | C26 | C25 | 119.0° | 120.5° |
| C27 | C26 | H261 | 120.5° | 119.8° |
| C26 | C27 | H271 | 120.4° | 119.8° |
| F7 | C6 | C8 | 118.8° | 120.0° |
| F7 | C6 | C5 | 118.7° | 120.1° |
| C28 | C23 | C21 | 120.5° | 120.4° |
| C28 | C23 | C24 | 118.7° | 119.7° |
| C23 | C28 | H281 | 118.8° | 120.1° |
| O22 | C21 | C23 | 122.4° | 120.1° |
| O22 | C21 | C20 | 118.4° | 120.1° |
| C26 | C25 | C24 | 122.9° | 119.8° |
| C25 | C26 | H261 | 120.5° | 119.7° |
| C26 | C25 | H251 | 118.6° | 120.1° |
| C8 | C9 | C10 | 120.0° | 120.2° |
| C9 | C8 | C6 | 123.9° | 120.1° |
| C9 | C8 | C2 | 122.6° | 120.1° |
| C9 | C10 | C12 | 121.1° | 119.8° |
| C9 | C10 | F11 | 120.2° | 120.1° |
| C8 | C6 | C5 | 122.5° | 119.9° |
| C6 | C8 | C2 | 113.5° | 119.8° |
| C6 | C5 | C4 | 122.6° | 120.1° |
| C6 | C5 | H051 | 118.7° | 119.9° |
| C12 | C10 | F11 | 118.7° | 120.1° |
| C10 | C12 | H121 | 119.7° | 119.9° |
| C21 | C23 | C24 | 120.8° | 119.9° |
| C23 | C21 | C20 | 119.2° | 119.8° |
| C23 | C24 | C25 | 118.0° | 119.7° |
| C23 | C24 | C29 | 120.0° | 119.9° |
| C8 | C2 | F1 | 118.0° | 120.1° |
| C8 | C2 | C3 | 123.3° | 119.9° |
| C21 | C20 | N16 | 132.1° | 133.9° |
| C21 | C20 | C19 | 119.9° | 120.5° |
| C5 | C4 | C3 | 115.5° | 120.1° |
| C5 | C4 | N16 | 122.3° | 120.0° |
| C4 | C5 | H051 | 118.7° | 120.0° |
| C25 | C24 | C29 | 122.0° | 120.4° |
| C24 | C25 | H251 | 118.6° | 120.1° |
| C24 | C29 | C19 | 117.5° | 119.7° |
| C24 | C29 | O30 | 120.6° | 120.2° |
| F1 | C2 | C3 | 118.7° | 120.0° |
| C2 | C3 | C4 | 122.5° | 120.1° |
| C2 | C3 | H031 | 118.8° | 120.0° |
| C3 | C4 | N16 | 122.2° | 119.9° |
| C4 | C3 | H031 | 118.7° | 119.9° |
| C4 | N16 | C20 | 132.9° | 125.9° |
| C4 | N16 | N17 | 121.4° | 126.0° |
| N16 | C20 | C19 | 108.0° | 105.6° |
| C20 | N16 | N17 | 105.7° | 108.1° |
| C20 | C19 | C29 | 122.5° | 120.3° |
| C20 | C19 | N18 | 106.2° | 106.0° |
| N16 | N17 | N18 | 110.9° | 111.3° |
| C19 | C29 | O30 | 121.9° | 120.1° |
| C29 | C19 | N18 | 131.3° | 133.8° |
| C19 | N18 | N17 | 109.3° | 109.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C15 | C14 | C13 | H141 | 180.0° | 179.7° |
| C14 | C15 | C9 | H151 | 180.0° | 180.0° |
| C15 | C14 | C13 | C12 | 0.0° | 0.3° |
| C14 | C15 | C9 | C8 | 179.3° | 180.0° |
| C14 | C15 | C9 | C10 | 0.3° | 0.0° |
| C15 | C14 | C13 | H131 | 180.0° | 179.7° |
| C13 | C14 | C15 | C9 | 0.2° | 0.3° |
| C14 | C13 | C12 | H131 | 180.0° | 179.9° |
| C14 | C13 | C12 | C10 | 0.0° | 0.1° |
| C13 | C14 | C15 | H151 | 179.8° | 179.7° |
| C14 | C13 | C12 | H121 | 180.0° | 180.0° |
| C15 | C9 | C8 | C10 | 179.0° | 180.0° |
| C15 | C9 | C8 | C6 | 59.1° | 90.0° |
| C15 | C9 | C10 | C12 | 0.3° | 0.2° |
| C15 | C9 | C8 | C2 | 121.0° | 90.5° |
| C15 | C9 | C10 | F11 | 179.8° | 180.0° |
| C9 | C15 | C14 | H141 | 179.8° | 180.0° |
| C13 | C12 | C10 | C9 | 0.2° | 0.2° |
| C13 | C12 | C10 | H121 | 180.0° | 179.9° |
| C13 | C12 | C10 | F11 | 179.9° | 180.0° |
| C12 | C13 | C14 | H141 | 180.0° | 180.0° |
| C28 | C27 | C26 | H271 | 180.0° | 179.6° |
| C27 | C28 | C23 | H281 | 180.0° | 179.9° |
| C28 | C27 | C26 | C25 | 0.3° | 0.6° |
| C27 | C28 | C23 | C21 | 179.7° | 179.9° |
| C27 | C28 | C23 | C24 | 0.1° | 0.0° |
| C28 | C27 | C26 | H261 | 179.7° | 180.0° |
| C26 | C27 | C28 | C23 | 0.3° | 0.3° |
| C27 | C26 | C25 | H261 | 180.0° | 179.4° |
| C27 | C26 | C25 | C24 | 0.1° | 0.6° |
| C26 | C27 | C28 | H281 | 179.7° | 179.8° |
| C27 | C26 | C25 | H251 | 179.9° | 180.0° |
| F7 | C6 | C8 | C9 | 0.3° | 0.5° |
| F7 | C6 | C8 | C5 | 179.7° | 179.6° |
| F7 | C6 | C8 | C2 | 179.8° | 179.9° |
| F7 | C6 | C5 | C4 | 180.0° | 179.7° |
| F7 | C6 | C5 | H051 | 0.1° | 0.2° |
| C28 | C23 | C21 | O22 | 0.3° | 0.1° |
| C28 | C23 | C21 | C24 | 179.8° | 180.0° |
| C28 | C23 | C21 | C20 | 180.0° | 180.0° |
| C28 | C23 | C24 | C25 | 0.1° | 0.1° |
| C28 | C23 | C24 | C29 | 179.9° | 179.7° |
| C23 | C28 | C27 | H271 | 179.7° | 179.9° |
| O22 | C21 | C23 | C20 | 179.7° | 179.9° |
| O22 | C21 | C23 | C24 | 179.9° | 180.0° |
| O22 | C21 | C20 | N16 | 0.2° | 0.1° |
| O22 | C21 | C20 | C19 | 179.9° | 179.7° |
| C26 | C25 | C24 | C23 | 0.1° | 0.4° |
| C26 | C25 | C24 | H251 | 180.0° | 179.4° |
| C26 | C25 | C24 | C29 | 179.9° | 180.0° |
| C25 | C26 | C27 | H271 | 179.7° | 179.8° |
| C9 | C8 | C6 | C2 | 179.9° | 179.4° |
| C9 | C8 | C6 | C5 | 179.9° | 179.9° |
| C8 | C9 | C10 | C12 | 179.4° | 179.8° |
| C8 | C9 | C10 | F11 | 0.7° | 0.0° |
| C9 | C8 | C2 | F1 | 0.0° | 0.3° |
| C9 | C8 | C2 | C3 | 179.8° | 180.0° |
| C8 | C9 | C15 | H151 | 0.6° | 0.0° |
| C10 | C9 | C8 | C6 | 121.8° | 90.0° |
| C9 | C10 | C12 | F11 | 179.9° | 179.8° |
| C10 | C9 | C8 | C2 | 58.0° | 89.5° |
| C10 | C9 | C15 | H151 | 179.7° | 180.0° |
| C9 | C10 | C12 | H121 | 179.8° | 179.7° |
| C8 | C6 | C5 | C4 | 0.2° | 0.2° |
| C6 | C8 | C2 | F1 | 179.9° | 179.7° |
| C6 | C8 | C2 | C3 | 0.0° | 0.6° |
| C8 | C6 | C5 | H051 | 179.8° | 179.8° |
| C5 | C6 | C8 | C2 | 0.0° | 0.5° |
| C6 | C5 | C4 | H051 | 180.0° | 179.9° |
| C6 | C5 | C4 | C3 | 0.3° | 0.1° |
| C6 | C5 | C4 | N16 | 179.9° | 180.0° |
| C10 | C12 | C13 | H131 | 180.0° | 180.0° |
| C21 | C23 | C24 | C25 | 179.9° | 179.9° |
| C21 | C23 | C24 | C29 | 0.1° | 0.3° |
| C23 | C21 | C20 | N16 | 179.9° | 180.0° |
| C23 | C21 | C20 | C19 | 0.2° | 0.4° |
| C21 | C23 | C28 | H281 | 0.3° | 0.0° |
| C24 | C23 | C21 | C20 | 0.2° | 0.1° |
| C23 | C24 | C25 | C29 | 180.0° | 179.6° |
| C23 | C24 | C29 | C19 | 0.0° | 0.4° |
| C23 | C24 | C29 | O30 | 179.8° | 180.0° |
| C24 | C23 | C28 | H281 | 179.9° | 179.9° |
| C23 | C24 | C25 | H251 | 179.9° | 179.7° |
| C8 | C2 | F1 | C3 | 179.9° | 179.7° |
| C8 | C2 | C3 | C4 | 0.1° | 0.3° |
| C8 | C2 | C3 | H031 | 179.9° | 179.7° |
| C21 | C20 | N16 | C4 | 0.3° | 0.3° |
| C21 | C20 | N16 | C19 | 179.9° | 179.6° |
| C21 | C20 | N16 | N17 | 180.0° | 179.7° |
| C21 | C20 | C19 | C29 | 0.2° | 0.3° |
| C21 | C20 | C19 | N18 | 180.0° | 179.7° |
| C5 | C4 | C3 | C2 | 0.2° | 0.0° |
| C5 | C4 | C3 | N16 | 179.6° | 179.9° |
| C5 | C4 | N16 | C20 | 55.0° | 35.0° |
| C5 | C4 | N16 | N17 | 125.3° | 145.0° |
| C5 | C4 | C3 | H031 | 179.8° | 179.9° |
| F11 | C10 | C12 | H121 | 0.1° | 0.1° |
| C25 | C24 | C29 | C19 | 180.0° | 180.0° |
| C25 | C24 | C29 | O30 | 0.2° | 0.4° |
| C24 | C25 | C26 | H261 | 179.9° | 180.0° |
| C24 | C29 | C19 | C20 | 0.0° | 0.1° |
| C24 | C29 | C19 | O30 | 179.8° | 179.6° |
| C24 | C29 | C19 | N18 | 179.8° | 179.9° |
| C29 | C24 | C25 | H251 | 0.1° | 0.7° |
| F1 | C2 | C3 | C4 | 179.8° | 180.0° |
| F1 | C2 | C3 | H031 | 0.2° | 0.0° |
| C2 | C3 | C4 | H031 | 180.0° | 180.0° |
| C2 | C3 | C4 | N16 | 179.8° | 180.0° |
| C3 | C4 | N16 | C20 | 124.5° | 145.0° |
| C3 | C4 | N16 | N17 | 55.2° | 35.0° |
| C3 | C4 | C5 | H051 | 179.7° | 180.0° |
| C4 | N16 | C20 | N17 | 179.8° | 180.0° |
| C4 | N16 | C20 | C19 | 179.6° | 179.9° |
| C4 | N16 | N17 | N18 | 179.7° | 180.0° |
| N16 | C4 | C3 | H031 | 0.2° | 0.0° |
| N16 | C4 | C5 | H051 | 0.2° | 0.0° |
| N16 | C20 | C19 | C29 | 179.9° | 180.0° |
| N16 | C20 | C19 | N18 | 0.1° | 0.1° |
| C20 | N16 | N17 | N18 | 0.1° | 0.0° |
| C19 | C20 | N16 | N17 | 0.1° | 0.0° |
| C20 | C19 | C29 | N18 | 179.8° | 180.0° |
| C20 | C19 | C29 | O30 | 179.7° | 179.7° |
| C20 | C19 | N18 | N17 | 0.1° | 0.0° |
| N16 | N17 | N18 | C19 | 0.0° | 0.0° |
| C29 | C19 | N18 | N17 | 179.9° | 180.0° |
| O30 | C29 | C19 | N18 | 0.0° | 0.3° |
| H131 | C13 | C12 | H121 | 0.1° | 0.1° |
| H131 | C13 | C14 | H141 | 0.0° | 0.1° |
| H151 | C15 | C14 | H141 | 0.2° | 0.0° |
| H261 | C26 | C25 | H251 | 0.1° | 0.6° |
| H261 | C26 | C27 | H271 | 0.3° | 0.4° |
| H281 | C28 | C27 | H271 | 0.3° | 0.2° |
