VVV
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C6 | C1 | doub | 1.39Å | 1.46Å | Aromatic |
| C1 | O11 | sing | 1.36Å | 1.38Å | |
| C1 | C2 | sing | 1.40Å | 1.49Å | Aromatic |
| C3 | C2 | doub | 1.41Å | 1.44Å | Aromatic |
| C2 | C7 | sing | 1.46Å | 1.51Å | |
| C4 | C3 | sing | 1.39Å | 1.47Å | Aromatic |
| C3 | N10 | sing | 1.38Å | 1.32Å | |
| O17 | C4 | sing | 1.36Å | 1.38Å | |
| C5 | C4 | doub | 1.38Å | 1.39Å | Aromatic |
| C5 | C6 | sing | 1.39Å | 1.42Å | Aromatic |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| O13 | C6 | sing | 1.36Å | 1.35Å | |
| C7 | C8 | doub | 1.36Å | 1.39Å | |
| C7 | C15 | sing | 1.51Å | 1.49Å | |
| C9 | C8 | sing | 1.41Å | 1.43Å | |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| N10 | C9 | sing | 1.34Å | 1.35Å | |
| C9 | O16 | doub | 1.22Å | 1.27Å | |
| N10 | HN10 | sing | 0.97Å | 1.00Å | |
| O11 | C12 | sing | 1.43Å | 1.44Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| C12 | H12A | sing | 1.09Å | 1.10Å | |
| C12 | H12B | sing | 1.09Å | 1.10Å | |
| C14 | O13 | sing | 1.43Å | 1.41Å | |
| C14 | H14 | sing | 1.09Å | 1.10Å | |
| C14 | H14A | sing | 1.09Å | 1.10Å | |
| C14 | H14B | sing | 1.09Å | 1.10Å | |
| C15 | H15 | sing | 1.09Å | 1.10Å | |
| C15 | H15A | sing | 1.09Å | 1.10Å | |
| C15 | H15B | sing | 1.09Å | 1.10Å | |
| C18 | O17 | sing | 1.43Å | 1.42Å | |
| C18 | H18 | sing | 1.09Å | 1.10Å | |
| C18 | H18A | sing | 1.09Å | 1.10Å | |
| C18 | H18B | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C6 | C1 | O11 | 116.8° | 120.3° |
| C6 | C1 | C2 | 116.4° | 119.6° |
| C1 | C6 | C5 | 122.3° | 120.3° |
| C1 | C6 | O13 | 116.4° | 119.8° |
| O11 | C1 | C2 | 126.7° | 120.2° |
| C1 | O11 | C12 | 133.9° | 117.0° |
| C1 | C2 | C3 | 119.0° | 119.8° |
| C1 | C2 | C7 | 122.8° | 121.1° |
| C3 | C2 | C7 | 118.2° | 119.0° |
| C2 | C3 | C4 | 121.9° | 119.6° |
| C2 | C3 | N10 | 119.6° | 119.5° |
| C2 | C7 | C8 | 118.5° | 118.6° |
| C2 | C7 | C15 | 119.3° | 120.7° |
| C4 | C3 | N10 | 118.4° | 120.9° |
| C3 | C4 | O17 | 116.1° | 120.0° |
| C3 | C4 | C5 | 117.8° | 120.0° |
| C3 | N10 | C9 | 122.5° | 120.9° |
| C3 | N10 | HN10 | 118.7° | 119.5° |
| O17 | C4 | C5 | 126.1° | 120.0° |
| C4 | O17 | C18 | 123.3° | 117.0° |
| C4 | C5 | C6 | 122.5° | 120.6° |
| C4 | C5 | H5 | 118.7° | 119.7° |
| C6 | C5 | H5 | 118.7° | 119.6° |
| C5 | C6 | O13 | 121.3° | 119.9° |
| C6 | O13 | C14 | 116.7° | 117.0° |
| C8 | C7 | C15 | 122.1° | 120.7° |
| C7 | C8 | C9 | 117.0° | 120.3° |
| C7 | C8 | H8 | 121.5° | 119.8° |
| C7 | C15 | H15 | 109.5° | 109.5° |
| C7 | C15 | H15A | 109.5° | 109.5° |
| C7 | C15 | H15B | 109.5° | 109.5° |
| C9 | C8 | H8 | 121.5° | 119.9° |
| C8 | C9 | N10 | 124.1° | 121.6° |
| C8 | C9 | O16 | 121.6° | 119.2° |
| N10 | C9 | O16 | 114.3° | 119.2° |
| C9 | N10 | HN10 | 118.7° | 119.5° |
| O11 | C12 | H12 | 109.5° | 109.5° |
| O11 | C12 | H12A | 109.5° | 109.4° |
| O11 | C12 | H12B | 109.4° | 109.5° |
| H12 | C12 | H12A | 109.4° | 109.5° |
| H12 | C12 | H12B | 109.5° | 109.5° |
| H12A | C12 | H12B | 109.5° | 109.5° |
| O13 | C14 | H14 | 109.5° | 109.5° |
| O13 | C14 | H14A | 109.4° | 109.4° |
| O13 | C14 | H14B | 109.5° | 109.5° |
| H14 | C14 | H14A | 109.5° | 109.5° |
| H14 | C14 | H14B | 109.5° | 109.5° |
| H14A | C14 | H14B | 109.5° | 109.5° |
| H15 | C15 | H15A | 109.4° | 109.5° |
| H15 | C15 | H15B | 109.5° | 109.4° |
| H15A | C15 | H15B | 109.5° | 109.4° |
| O17 | C18 | H18 | 109.5° | 109.5° |
| O17 | C18 | H18A | 109.5° | 109.5° |
| O17 | C18 | H18B | 109.4° | 109.5° |
| H18 | C18 | H18A | 109.5° | 109.5° |
| H18 | C18 | H18B | 109.5° | 109.4° |
| H18A | C18 | H18B | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C6 | C1 | O11 | C2 | 176.0° | 179.7° |
| C6 | C1 | C2 | C3 | 1.7° | 0.3° |
| C6 | C1 | C2 | C7 | 177.6° | 179.7° |
| C1 | C6 | C5 | C4 | 0.1° | 0.6° |
| C1 | C6 | C5 | O13 | 179.9° | 179.4° |
| C1 | C6 | C5 | H5 | 179.9° | 179.6° |
| C6 | C1 | O11 | C12 | 157.0° | 82.7° |
| C1 | C6 | O13 | C14 | 171.2° | 179.5° |
| O11 | C1 | C2 | C3 | 177.6° | 180.0° |
| O11 | C1 | C2 | C7 | 1.6° | 0.1° |
| O11 | C1 | C6 | C5 | 177.1° | 179.7° |
| O11 | C1 | C6 | O13 | 2.8° | 0.3° |
| C1 | O11 | C12 | H12 | 180.0° | 64.7° |
| C1 | O11 | C12 | H12A | 60.0° | 175.3° |
| C1 | O11 | C12 | H12B | 60.0° | 55.3° |
| C1 | C2 | C3 | C7 | 179.3° | 179.9° |
| C1 | C2 | C3 | C4 | 1.9° | 0.0° |
| C1 | C2 | C3 | N10 | 180.0° | 179.9° |
| C2 | C1 | C6 | C5 | 0.7° | 0.6° |
| C2 | C1 | C6 | O13 | 179.2° | 180.0° |
| C1 | C2 | C7 | C8 | 178.5° | 179.9° |
| C1 | C2 | C7 | C15 | 1.4° | 0.1° |
| C2 | C1 | O11 | C12 | 27.1° | 97.0° |
| C2 | C3 | C4 | N10 | 178.1° | 179.9° |
| C2 | C3 | C4 | O17 | 179.3° | 180.0° |
| C2 | C3 | C4 | C5 | 1.1° | 0.0° |
| C3 | C2 | C7 | C8 | 2.2° | 0.0° |
| C3 | C2 | C7 | C15 | 179.3° | 180.0° |
| C2 | C3 | N10 | C9 | 0.4° | 0.0° |
| C2 | C3 | N10 | HN10 | 179.7° | 179.9° |
| C7 | C2 | C3 | C4 | 177.3° | 179.9° |
| C7 | C2 | C3 | N10 | 0.7° | 0.0° |
| C2 | C7 | C8 | C15 | 177.0° | 180.0° |
| C2 | C7 | C8 | C9 | 2.5° | 0.0° |
| C2 | C7 | C8 | H8 | 177.5° | 180.0° |
| C2 | C7 | C15 | H15 | 180.0° | 84.1° |
| C2 | C7 | C15 | H15A | 60.0° | 155.9° |
| C2 | C7 | C15 | H15B | 60.0° | 35.9° |
| C3 | C4 | O17 | C5 | 178.0° | 180.0° |
| C3 | C4 | C5 | C6 | 0.1° | 0.3° |
| C3 | C4 | C5 | H5 | 179.9° | 180.0° |
| C4 | C3 | N10 | C9 | 178.5° | 180.0° |
| C4 | C3 | N10 | HN10 | 1.5° | 0.1° |
| C3 | C4 | O17 | C18 | 174.6° | 179.9° |
| N10 | C3 | C4 | O17 | 2.6° | 0.0° |
| N10 | C3 | C4 | C5 | 179.3° | 180.0° |
| C3 | N10 | C9 | C8 | 0.0° | 0.1° |
| C3 | N10 | C9 | HN10 | 180.0° | 179.9° |
| C3 | N10 | C9 | O16 | 178.8° | 180.0° |
| O17 | C4 | C5 | C6 | 178.0° | 179.7° |
| O17 | C4 | C5 | H5 | 2.0° | 0.0° |
| C4 | O17 | C18 | H18 | 180.0° | 60.0° |
| C4 | O17 | C18 | H18A | 60.0° | 60.1° |
| C4 | O17 | C18 | H18B | 60.0° | 180.0° |
| C4 | C5 | C6 | H5 | 180.0° | 179.8° |
| C4 | C5 | C6 | O13 | 180.0° | 180.0° |
| C5 | C4 | O17 | C18 | 3.3° | 0.1° |
| C5 | C6 | O13 | C14 | 8.7° | 0.1° |
| H5 | C5 | C6 | O13 | 0.0° | 0.3° |
| C6 | O13 | C14 | H14 | 180.0° | 180.0° |
| C6 | O13 | C14 | H14A | 60.0° | 60.1° |
| C6 | O13 | C14 | H14B | 60.0° | 60.0° |
| C7 | C8 | C9 | H8 | 180.0° | 180.0° |
| C7 | C8 | C9 | N10 | 1.5° | 0.0° |
| C7 | C8 | C9 | O16 | 179.7° | 180.0° |
| C8 | C7 | C15 | H15 | 3.0° | 95.9° |
| C8 | C7 | C15 | H15A | 116.9° | 24.1° |
| C8 | C7 | C15 | H15B | 123.0° | 144.1° |
| C15 | C7 | C8 | C9 | 179.5° | 180.0° |
| C15 | C7 | C8 | H8 | 0.5° | 0.0° |
| C7 | C15 | H15 | H15A | 120.0° | 120.0° |
| C7 | C15 | H15 | H15B | 120.0° | 120.0° |
| C7 | C15 | H15A | H15B | 120.0° | 120.0° |
| C8 | C9 | N10 | O16 | 178.8° | 179.9° |
| C8 | C9 | N10 | HN10 | 180.0° | 180.0° |
| H8 | C8 | C9 | N10 | 178.5° | 179.9° |
| H8 | C8 | C9 | O16 | 0.3° | 0.0° |
| O16 | C9 | N10 | HN10 | 1.1° | 0.1° |
| O11 | C12 | H12 | H12A | 120.0° | 120.0° |
| O11 | C12 | H12 | H12B | 120.0° | 120.0° |
| O11 | C12 | H12A | H12B | 120.0° | 120.0° |
| H12 | C12 | H12A | H12B | 120.0° | 120.0° |
| O13 | C14 | H14 | H14A | 120.0° | 119.9° |
| O13 | C14 | H14 | H14B | 120.0° | 120.0° |
| O13 | C14 | H14A | H14B | 120.0° | 120.0° |
| H14 | C14 | H14A | H14B | 120.0° | 120.0° |
| H15 | C15 | H15A | H15B | 120.0° | 119.9° |
| O17 | C18 | H18 | H18A | 120.0° | 120.1° |
| O17 | C18 | H18 | H18B | 120.0° | 120.1° |
| O17 | C18 | H18A | H18B | 120.0° | 120.0° |
| H18 | C18 | H18A | H18B | 120.0° | 119.9° |
