BVA
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C14 | O10 | doub | 1.23Å | 1.27Å | |
| C14 | N13 | sing | 1.34Å | 1.30Å | |
| C14 | C15 | sing | 1.51Å | 1.48Å | |
| C17 | C15 | doub | 1.39Å | 1.38Å | Aromatic |
| C17 | C18 | sing | 1.39Å | 1.39Å | Aromatic |
| C17 | H17 | sing | 0.94Å | 1.08Å | |
| C19 | C18 | doub | 1.37Å | 1.37Å | Aromatic |
| C19 | C20 | sing | 1.37Å | 1.37Å | Aromatic |
| C19 | H19 | sing | 0.94Å | 1.08Å | |
| C21 | C15 | sing | 1.39Å | 1.38Å | Aromatic |
| C21 | C20 | doub | 1.38Å | 1.39Å | Aromatic |
| C21 | H21 | sing | 0.94Å | 1.08Å | |
| C20 | H20 | sing | 0.94Å | 1.08Å | |
| C18 | H18 | sing | 0.94Å | 1.08Å | |
| O8 | V16 | sing | 1.63Å | 1.89Å | |
| O8 | N13 | sing | 1.22Å | 1.35Å | |
| O9 | V16 | sing | 1.96Å | 1.81Å | |
| O9 | HO9 | sing | 0.87Å | 0.95Å | |
| O10 | V16 | sing | 1.63Å | 1.98Å | |
| O11 | V16 | sing | 1.62Å | 1.89Å | |
| O11 | HO11 | sing | 0.87Å | 0.95Å | |
| O12 | V16 | sing | 1.62Å | 1.91Å | |
| O12 | HO12 | sing | 0.87Å | 0.95Å | |
| N13 | HN13 | sing | 0.87Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O10 | C14 | N13 | 117.6° | 117.4° |
| O10 | C14 | C15 | 122.3° | 122.0° |
| C14 | O10 | V16 | 109.1° | 104.9° |
| N13 | C14 | C15 | 120.1° | 120.6° |
| C14 | N13 | O8 | 121.9° | 115.0° |
| C14 | N13 | HN13 | 119.0° | 125.4° |
| C14 | C15 | C17 | 118.5° | 117.9° |
| C14 | C15 | C21 | 121.9° | 124.4° |
| C15 | C17 | C18 | 120.1° | 120.9° |
| C15 | C17 | H17 | 119.9° | 120.0° |
| C17 | C15 | C21 | 119.6° | 117.7° |
| C18 | C17 | H17 | 119.9° | 119.1° |
| C17 | C18 | C19 | 119.7° | 120.4° |
| C17 | C18 | H18 | 120.2° | 119.7° |
| C18 | C19 | C20 | 120.5° | 119.7° |
| C18 | C19 | H19 | 119.8° | 120.1° |
| C19 | C18 | H18 | 120.2° | 119.9° |
| C20 | C19 | H19 | 119.8° | 120.2° |
| C19 | C20 | C21 | 120.3° | 120.4° |
| C19 | C20 | H20 | 119.8° | 119.8° |
| C15 | C21 | C20 | 119.9° | 120.9° |
| C15 | C21 | H21 | 120.1° | 120.1° |
| C20 | C21 | H21 | 120.0° | 119.0° |
| C21 | C20 | H20 | 119.9° | 119.8° |
| V16 | O8 | N13 | 106.8° | 106.5° |
| O8 | V16 | O9 | 95.2° | 91.6° |
| O8 | V16 | O10 | 84.4° | 96.0° |
| O8 | V16 | O11 | 88.7° | 91.4° |
| O8 | V16 | O12 | 88.5° | 92.5° |
| O8 | N13 | HN13 | 119.0° | 119.5° |
| V16 | O9 | HO9 | 109.5° | 109.6° |
| O9 | V16 | O10 | 114.7° | 90.9° |
| O9 | V16 | O11 | 91.2° | 86.4° |
| O9 | V16 | O12 | 175.1° | 172.2° |
| O10 | V16 | O11 | 153.7° | 172.3° |
| O10 | V16 | O12 | 68.8° | 95.2° |
| V16 | O11 | HO11 | 109.5° | 109.4° |
| O11 | V16 | O12 | 85.6° | 86.9° |
| V16 | O12 | HO12 | 109.5° | 109.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O10 | C14 | N13 | C15 | 179.1° | 180.0° |
| O10 | C14 | C15 | C17 | 1.6° | 0.1° |
| O10 | C14 | C15 | C21 | 176.6° | 179.9° |
| C14 | O10 | V16 | O8 | 4.9° | 3.5° |
| O10 | C14 | N13 | O8 | 1.2° | 0.3° |
| C14 | O10 | V16 | O9 | 88.3° | 88.2° |
| C14 | O10 | V16 | O11 | 80.3° | 157.9° |
| C14 | O10 | V16 | O12 | 95.4° | 96.5° |
| O10 | C14 | N13 | HN13 | 178.8° | 179.5° |
| N13 | C14 | C15 | C17 | 179.4° | 179.8° |
| N13 | C14 | C15 | C21 | 2.5° | 0.2° |
| C14 | N13 | O8 | V16 | 3.0° | 2.4° |
| C14 | N13 | O8 | HN13 | 180.0° | 179.8° |
| N13 | C14 | O10 | V16 | 4.6° | 2.8° |
| C14 | C15 | C17 | C21 | 178.2° | 180.0° |
| C14 | C15 | C17 | C18 | 177.1° | 180.0° |
| C14 | C15 | C17 | H17 | 2.9° | 0.0° |
| C14 | C15 | C21 | C20 | 177.2° | 179.9° |
| C14 | C15 | C21 | H21 | 2.9° | 0.0° |
| C15 | C14 | N13 | O8 | 177.8° | 179.7° |
| C15 | C14 | O10 | V16 | 174.5° | 177.2° |
| C15 | C14 | N13 | HN13 | 2.2° | 0.5° |
| C15 | C17 | C18 | H17 | 180.0° | 180.0° |
| C15 | C17 | C18 | C19 | 0.9° | 0.0° |
| C17 | C15 | C21 | C20 | 1.0° | 0.1° |
| C17 | C15 | C21 | H21 | 179.0° | 180.0° |
| C15 | C17 | C18 | H18 | 179.1° | 180.0° |
| C17 | C18 | C19 | H18 | 180.0° | 180.0° |
| C17 | C18 | C19 | C20 | 0.7° | 0.1° |
| C17 | C18 | C19 | H19 | 179.3° | 180.0° |
| C18 | C17 | C15 | C21 | 1.1° | 0.0° |
| H17 | C17 | C18 | C19 | 179.1° | 180.0° |
| H17 | C17 | C15 | C21 | 178.9° | 180.0° |
| H17 | C17 | C18 | H18 | 0.9° | 0.0° |
| C18 | C19 | C20 | H19 | 180.0° | 179.9° |
| C18 | C19 | C20 | C21 | 0.6° | 0.1° |
| C18 | C19 | C20 | H20 | 179.4° | 180.0° |
| C19 | C20 | C21 | C15 | 0.8° | 0.1° |
| C19 | C20 | C21 | H20 | 180.0° | 179.9° |
| C19 | C20 | C21 | H21 | 179.2° | 180.0° |
| C20 | C19 | C18 | H18 | 179.3° | 180.0° |
| H19 | C19 | C20 | C21 | 179.4° | 180.0° |
| H19 | C19 | C20 | H20 | 0.6° | 0.1° |
| H19 | C19 | C18 | H18 | 0.7° | 0.0° |
| C15 | C21 | C20 | H21 | 180.0° | 179.9° |
| C15 | C21 | C20 | H20 | 179.2° | 180.0° |
| H21 | C21 | C20 | H20 | 0.8° | 0.1° |
| O8 | V16 | O9 | O10 | 86.2° | 96.0° |
| O8 | V16 | O9 | O11 | 88.8° | 91.3° |
| O8 | V16 | O9 | O12 | 138.9° | 121.6° |
| O8 | V16 | O9 | HO9 | 180.0° | 119.7° |
| O8 | V16 | O10 | O11 | 75.5° | 161.5° |
| O8 | V16 | O10 | O12 | 90.5° | 93.0° |
| O8 | V16 | O11 | O12 | 88.6° | 92.4° |
| O8 | V16 | O11 | HO11 | 180.0° | 153.4° |
| O8 | V16 | O12 | HO12 | 180.0° | 152.5° |
| V16 | O8 | N13 | HN13 | 177.0° | 177.8° |
| N13 | O8 | V16 | O9 | 110.3° | 87.7° |
| N13 | O8 | V16 | O10 | 4.0° | 3.4° |
| N13 | O8 | V16 | O11 | 158.6° | 174.1° |
| N13 | O8 | V16 | O12 | 72.9° | 98.9° |
| O9 | V16 | O10 | O11 | 168.7° | 69.7° |
| O9 | V16 | O10 | O12 | 176.3° | 175.2° |
| O9 | V16 | O11 | O12 | 176.2° | 176.1° |
| O9 | V16 | O11 | HO11 | 84.8° | 61.9° |
| O9 | V16 | O12 | HO12 | 40.9° | 85.9° |
| HO9 | O9 | V16 | O10 | 93.7° | 23.7° |
| HO9 | O9 | V16 | O11 | 91.3° | 149.0° |
| HO9 | O9 | V16 | O12 | 41.1° | 118.7° |
| O10 | V16 | O11 | O12 | 14.1° | 106.1° |
| O10 | V16 | O11 | HO11 | 105.5° | 8.1° |
| O10 | V16 | O12 | HO12 | 95.4° | 56.3° |
| O11 | V16 | O12 | HO12 | 91.2° | 116.2° |
| HO11 | O11 | V16 | O12 | 91.4° | 114.2° |
