BVA
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C14 | O10 | doub | 0.00Å | 1.27Å | |
| C14 | N13 | sing | 0.00Å | 1.30Å | |
| C14 | C15 | sing | 0.00Å | 1.48Å | |
| C17 | C15 | doub | 0.00Å | 1.38Å | Aromatic |
| C17 | C18 | sing | 0.00Å | 1.39Å | Aromatic |
| C17 | H17 | sing | 0.00Å | 1.08Å | |
| C19 | C18 | doub | 0.00Å | 1.37Å | Aromatic |
| C19 | C20 | sing | 0.00Å | 1.37Å | Aromatic |
| C19 | H19 | sing | 0.00Å | 1.08Å | |
| C21 | C15 | sing | 0.00Å | 1.38Å | Aromatic |
| C21 | C20 | doub | 0.00Å | 1.39Å | Aromatic |
| C21 | H21 | sing | 0.00Å | 1.08Å | |
| C20 | H20 | sing | 0.00Å | 1.08Å | |
| C18 | H18 | sing | 0.00Å | 1.08Å | |
| O8 | V16 | sing | 0.00Å | 1.89Å | |
| O8 | N13 | sing | 0.00Å | 1.35Å | |
| O9 | V16 | sing | 0.00Å | 1.81Å | |
| O9 | HO9 | sing | 0.00Å | 0.95Å | |
| O10 | V16 | sing | 0.00Å | 1.98Å | |
| O11 | V16 | sing | 0.00Å | 1.89Å | |
| O11 | HO11 | sing | 0.00Å | 0.95Å | |
| O12 | V16 | sing | 0.00Å | 1.91Å | |
| O12 | HO12 | sing | 0.00Å | 0.95Å | |
| N13 | HN13 | sing | 0.00Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O10 | C14 | N13 | 117.6° | 90.0° |
| O10 | C14 | C15 | 122.3° | 90.0° |
| C14 | O10 | V16 | 109.1° | 90.0° |
| N13 | C14 | C15 | 120.1° | 90.0° |
| C14 | N13 | O8 | 121.9° | 90.0° |
| C14 | N13 | HN13 | 119.0° | 90.0° |
| C14 | C15 | C17 | 118.5° | 90.0° |
| C14 | C15 | C21 | 121.9° | 90.0° |
| C15 | C17 | C18 | 120.1° | 90.0° |
| C15 | C17 | H17 | 119.9° | 90.0° |
| C17 | C15 | C21 | 119.6° | 90.0° |
| C18 | C17 | H17 | 119.9° | 90.0° |
| C17 | C18 | C19 | 119.7° | 90.0° |
| C17 | C18 | H18 | 120.2° | 90.0° |
| C18 | C19 | C20 | 120.5° | 90.0° |
| C18 | C19 | H19 | 119.8° | 90.0° |
| C19 | C18 | H18 | 120.2° | 90.0° |
| C20 | C19 | H19 | 119.8° | 90.0° |
| C19 | C20 | C21 | 120.3° | 90.0° |
| C19 | C20 | H20 | 119.8° | 90.0° |
| C15 | C21 | C20 | 119.9° | 90.0° |
| C15 | C21 | H21 | 120.1° | 90.0° |
| C20 | C21 | H21 | 120.0° | 90.0° |
| C21 | C20 | H20 | 119.9° | 90.0° |
| V16 | O8 | N13 | 106.8° | 90.0° |
| O8 | V16 | O9 | 95.2° | 90.0° |
| O8 | V16 | O10 | 84.4° | 90.0° |
| O8 | V16 | O11 | 88.7° | 90.0° |
| O8 | V16 | O12 | 88.5° | 90.0° |
| O8 | N13 | HN13 | 119.0° | 90.0° |
| V16 | O9 | HO9 | 109.5° | 90.0° |
| O9 | V16 | O10 | 114.7° | 90.0° |
| O9 | V16 | O11 | 91.2° | 90.0° |
| O9 | V16 | O12 | 175.1° | 90.0° |
| O10 | V16 | O11 | 153.7° | 90.0° |
| O10 | V16 | O12 | 68.8° | 90.0° |
| V16 | O11 | HO11 | 109.5° | 90.0° |
| O11 | V16 | O12 | 85.6° | 90.0° |
| V16 | O12 | HO12 | 109.5° | 90.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O10 | C14 | N13 | C15 | 179.1° | 90.0° |
| O10 | C14 | C15 | C17 | 1.6° | 90.0° |
| O10 | C14 | C15 | C21 | 176.6° | 90.0° |
| C14 | O10 | V16 | O8 | 4.9° | 90.0° |
| O10 | C14 | N13 | O8 | 1.2° | 90.0° |
| C14 | O10 | V16 | O9 | 88.3° | 90.0° |
| C14 | O10 | V16 | O11 | 80.3° | 90.0° |
| C14 | O10 | V16 | O12 | 95.4° | 90.0° |
| O10 | C14 | N13 | HN13 | 178.8° | 90.0° |
| N13 | C14 | C15 | C17 | 179.4° | 90.0° |
| N13 | C14 | C15 | C21 | 2.5° | 90.0° |
| C14 | N13 | O8 | V16 | 3.0° | 90.0° |
| C14 | N13 | O8 | HN13 | 180.0° | 90.0° |
| N13 | C14 | O10 | V16 | 4.6° | 90.0° |
| C14 | C15 | C17 | C21 | 178.2° | 90.0° |
| C14 | C15 | C17 | C18 | 177.1° | 90.0° |
| C14 | C15 | C17 | H17 | 2.9° | 90.0° |
| C14 | C15 | C21 | C20 | 177.2° | 90.0° |
| C14 | C15 | C21 | H21 | 2.9° | 90.0° |
| C15 | C14 | N13 | O8 | 177.8° | 90.0° |
| C15 | C14 | O10 | V16 | 174.5° | 90.0° |
| C15 | C14 | N13 | HN13 | 2.2° | 90.0° |
| C15 | C17 | C18 | H17 | 180.0° | 90.0° |
| C15 | C17 | C18 | C19 | 0.9° | 90.0° |
| C17 | C15 | C21 | C20 | 1.0° | 90.0° |
| C17 | C15 | C21 | H21 | 179.0° | 90.0° |
| C15 | C17 | C18 | H18 | 179.1° | 90.0° |
| C17 | C18 | C19 | H18 | 180.0° | 90.0° |
| C17 | C18 | C19 | C20 | 0.7° | 90.0° |
| C17 | C18 | C19 | H19 | 179.3° | 90.0° |
| C18 | C17 | C15 | C21 | 1.1° | 90.0° |
| H17 | C17 | C18 | C19 | 179.1° | 90.0° |
| H17 | C17 | C15 | C21 | 178.9° | 90.0° |
| H17 | C17 | C18 | H18 | 0.9° | 90.0° |
| C18 | C19 | C20 | H19 | 180.0° | 90.0° |
| C18 | C19 | C20 | C21 | 0.6° | 90.0° |
| C18 | C19 | C20 | H20 | 179.4° | 90.0° |
| C19 | C20 | C21 | C15 | 0.8° | 90.0° |
| C19 | C20 | C21 | H20 | 180.0° | 90.0° |
| C19 | C20 | C21 | H21 | 179.2° | 90.0° |
| C20 | C19 | C18 | H18 | 179.3° | 90.0° |
| H19 | C19 | C20 | C21 | 179.4° | 90.0° |
| H19 | C19 | C20 | H20 | 0.6° | 90.0° |
| H19 | C19 | C18 | H18 | 0.7° | 90.0° |
| C15 | C21 | C20 | H21 | 180.0° | 90.0° |
| C15 | C21 | C20 | H20 | 179.2° | 90.0° |
| H21 | C21 | C20 | H20 | 0.8° | 90.0° |
| O8 | V16 | O9 | O10 | 86.2° | 90.0° |
| O8 | V16 | O9 | O11 | 88.8° | 90.0° |
| O8 | V16 | O9 | O12 | 138.9° | 90.0° |
| O8 | V16 | O9 | HO9 | 180.0° | 90.0° |
| O8 | V16 | O10 | O11 | 75.5° | 90.0° |
| O8 | V16 | O10 | O12 | 90.5° | 90.0° |
| O8 | V16 | O11 | O12 | 88.6° | 90.0° |
| O8 | V16 | O11 | HO11 | 180.0° | 90.0° |
| O8 | V16 | O12 | HO12 | 180.0° | 90.0° |
| V16 | O8 | N13 | HN13 | 177.0° | 90.0° |
| N13 | O8 | V16 | O9 | 110.3° | 90.0° |
| N13 | O8 | V16 | O10 | 4.0° | 90.0° |
| N13 | O8 | V16 | O11 | 158.6° | 90.0° |
| N13 | O8 | V16 | O12 | 72.9° | 90.0° |
| O9 | V16 | O10 | O11 | 168.7° | 90.0° |
| O9 | V16 | O10 | O12 | 176.3° | 90.0° |
| O9 | V16 | O11 | O12 | 176.2° | 90.0° |
| O9 | V16 | O11 | HO11 | 84.8° | 90.0° |
| O9 | V16 | O12 | HO12 | 40.9° | 90.0° |
| HO9 | O9 | V16 | O10 | 93.7° | 90.0° |
| HO9 | O9 | V16 | O11 | 91.3° | 90.0° |
| HO9 | O9 | V16 | O12 | 41.1° | 90.0° |
| O10 | V16 | O11 | O12 | 14.1° | 90.0° |
| O10 | V16 | O11 | HO11 | 105.5° | 90.0° |
| O10 | V16 | O12 | HO12 | 95.4° | 90.0° |
| O11 | V16 | O12 | HO12 | 91.2° | 90.0° |
| HO11 | O11 | V16 | O12 | 91.4° | 90.0° |
