VGN
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CB | CG | sing | 1.38Å | 1.45Å | Aromatic |
| CB | C6 | doub | 1.39Å | 1.42Å | Aromatic |
| CG | C3 | doub | 1.40Å | 1.36Å | Aromatic |
| C16 | C17 | sing | 1.48Å | 1.54Å | Aromatic |
| C16 | C12 | sing | 1.39Å | 1.40Å | Aromatic |
| C16 | C13 | doub | 1.39Å | 1.44Å | Aromatic |
| O1 | C5 | doub | 1.22Å | 1.20Å | |
| C22 | C19 | doub | 1.38Å | 1.42Å | Aromatic |
| C22 | C21 | sing | 1.38Å | 1.41Å | Aromatic |
| C9 | C13 | sing | 1.38Å | 1.42Å | Aromatic |
| C9 | C23 | doub | 1.39Å | 1.42Å | Aromatic |
| C19 | C17 | sing | 1.39Å | 1.42Å | Aromatic |
| C17 | C18 | doub | 1.39Å | 1.44Å | Aromatic |
| C8 | C12 | doub | 1.38Å | 1.38Å | Aromatic |
| C8 | C23 | sing | 1.39Å | 1.43Å | Aromatic |
| C18 | C20 | sing | 1.38Å | 1.41Å | Aromatic |
| C6 | C4 | sing | 1.40Å | 1.42Å | Aromatic |
| C6 | N10 | sing | 1.39Å | 1.49Å | |
| C3 | C2 | sing | 1.39Å | 1.40Å | Aromatic |
| C3 | C23 | sing | 1.48Å | 1.50Å | Aromatic |
| C4 | C5 | sing | 1.47Å | 1.51Å | |
| C4 | C2 | doub | 1.39Å | 1.42Å | Aromatic |
| O2 | C5 | sing | 1.35Å | 1.35Å | |
| C21 | C20 | doub | 1.38Å | 1.41Å | Aromatic |
| N10 | C14 | sing | 1.35Å | 1.46Å | |
| C1 | C14 | sing | 1.51Å | 1.53Å | |
| C14 | O15 | doub | 1.21Å | 1.43Å | |
| CB | HB | sing | 1.08Å | 1.08Å | |
| CG | HG | sing | 1.08Å | 1.08Å | |
| C12 | H12 | sing | 1.08Å | 1.08Å | |
| C13 | H13 | sing | 1.08Å | 1.08Å | |
| C22 | H22 | sing | 1.08Å | 1.08Å | |
| C19 | H19 | sing | 1.08Å | 1.08Å | |
| C21 | H21 | sing | 1.08Å | 1.08Å | |
| C9 | H9 | sing | 1.08Å | 1.08Å | |
| C18 | H18 | sing | 1.08Å | 1.08Å | |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| C20 | H20 | sing | 1.08Å | 1.08Å | |
| N10 | H10 | sing | 0.97Å | 1.00Å | |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| O2 | HA | sing | 0.97Å | 0.95Å | |
| C1 | H11C | sing | 1.09Å | 1.10Å | |
| C1 | H12C | sing | 1.09Å | 1.10Å | |
| C1 | H13C | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CG | CB | C6 | 121.4° | 120.2° |
| CB | CG | C3 | 118.3° | 120.3° |
| CG | CB | HB | 119.3° | 119.9° |
| CB | CG | HG | 120.9° | 119.9° |
| CB | C6 | C4 | 117.4° | 119.9° |
| CB | C6 | N10 | 121.3° | 120.0° |
| C6 | CB | HB | 119.3° | 119.9° |
| CG | C3 | C2 | 122.7° | 120.1° |
| CG | C3 | C23 | 111.9° | 120.0° |
| C3 | CG | HG | 120.9° | 119.8° |
| C17 | C16 | C12 | 119.2° | 120.0° |
| C17 | C16 | C13 | 122.1° | 120.0° |
| C16 | C17 | C19 | 123.5° | 120.1° |
| C16 | C17 | C18 | 117.4° | 120.2° |
| C12 | C16 | C13 | 118.7° | 120.0° |
| C16 | C12 | C8 | 123.8° | 120.0° |
| C16 | C12 | H12 | 118.1° | 120.0° |
| C16 | C13 | C9 | 118.6° | 120.0° |
| C16 | C13 | H13 | 120.7° | 120.0° |
| O1 | C5 | C4 | 124.5° | 120.0° |
| O1 | C5 | O2 | 119.6° | 120.0° |
| C19 | C22 | C21 | 121.6° | 120.1° |
| C22 | C19 | C17 | 119.0° | 119.9° |
| C19 | C22 | H22 | 119.2° | 119.9° |
| C22 | C19 | H19 | 120.5° | 120.1° |
| C22 | C21 | C20 | 120.0° | 120.3° |
| C21 | C22 | H22 | 119.2° | 120.0° |
| C22 | C21 | H21 | 120.0° | 119.8° |
| C13 | C9 | C23 | 120.6° | 120.0° |
| C9 | C13 | H13 | 120.7° | 120.0° |
| C13 | C9 | H9 | 119.7° | 120.0° |
| C9 | C23 | C8 | 120.6° | 120.0° |
| C9 | C23 | C3 | 123.1° | 120.0° |
| C23 | C9 | H9 | 119.7° | 120.0° |
| C19 | C17 | C18 | 119.1° | 119.8° |
| C17 | C19 | H19 | 120.5° | 120.1° |
| C17 | C18 | C20 | 120.9° | 119.9° |
| C17 | C18 | H18 | 119.6° | 120.0° |
| C12 | C8 | C23 | 117.7° | 120.0° |
| C8 | C12 | H12 | 118.1° | 120.0° |
| C12 | C8 | H8 | 121.1° | 120.0° |
| C8 | C23 | C3 | 116.2° | 120.0° |
| C23 | C8 | H8 | 121.1° | 120.0° |
| C18 | C20 | C21 | 119.4° | 120.1° |
| C20 | C18 | H18 | 119.6° | 120.1° |
| C18 | C20 | H20 | 120.3° | 119.9° |
| C4 | C6 | N10 | 121.3° | 120.1° |
| C6 | C4 | C5 | 119.6° | 120.2° |
| C6 | C4 | C2 | 121.1° | 119.7° |
| C6 | N10 | C14 | 126.1° | 120.0° |
| C6 | N10 | H10 | 116.9° | 120.0° |
| C2 | C3 | C23 | 125.5° | 120.0° |
| C3 | C2 | C4 | 119.1° | 119.8° |
| C3 | C2 | H2 | 120.4° | 120.1° |
| C5 | C4 | C2 | 119.2° | 120.1° |
| C4 | C5 | O2 | 115.9° | 120.0° |
| C4 | C2 | H2 | 120.4° | 120.1° |
| C5 | O2 | HA | 109.5° | 117.0° |
| C20 | C21 | H21 | 120.0° | 119.9° |
| C21 | C20 | H20 | 120.3° | 120.0° |
| N10 | C14 | C1 | 118.8° | 120.0° |
| N10 | C14 | O15 | 121.7° | 120.0° |
| C14 | N10 | H10 | 117.0° | 120.0° |
| C1 | C14 | O15 | 119.5° | 120.0° |
| C14 | C1 | H11C | 109.5° | 109.4° |
| C14 | C1 | H12C | 109.5° | 109.5° |
| C14 | C1 | H13C | 109.4° | 109.4° |
| H11C | C1 | H12C | 109.4° | 109.5° |
| H11C | C1 | H13C | 109.5° | 109.5° |
| H12C | C1 | H13C | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CG | CB | C6 | HB | 180.0° | 179.8° |
| CB | CG | C3 | HG | 180.0° | 180.0° |
| CG | CB | C6 | C4 | 0.1° | 0.0° |
| CG | CB | C6 | N10 | 180.0° | 180.0° |
| CB | CG | C3 | C2 | 0.2° | 0.0° |
| CB | CG | C3 | C23 | 178.8° | 180.0° |
| C6 | CB | CG | C3 | 0.1° | 0.0° |
| CB | C6 | C4 | N10 | 179.9° | 180.0° |
| CB | C6 | C4 | C5 | 179.7° | 180.0° |
| CB | C6 | C4 | C2 | 0.2° | 0.0° |
| CB | C6 | N10 | C14 | 0.2° | 35.5° |
| C6 | CB | CG | HG | 179.9° | 179.9° |
| CB | C6 | N10 | H10 | 179.8° | 144.6° |
| CG | C3 | C23 | C9 | 42.1° | 0.0° |
| CG | C3 | C23 | C8 | 136.7° | 179.7° |
| CG | C3 | C2 | C23 | 178.5° | 180.0° |
| CG | C3 | C2 | C4 | 0.0° | 0.0° |
| C3 | CG | CB | HB | 179.9° | 179.8° |
| CG | C3 | C2 | H2 | 180.0° | 180.0° |
| C17 | C16 | C12 | C13 | 178.9° | 179.7° |
| C16 | C17 | C19 | C22 | 179.0° | 179.9° |
| C17 | C16 | C13 | C9 | 178.3° | 180.0° |
| C16 | C17 | C19 | C18 | 178.9° | 180.0° |
| C17 | C16 | C12 | C8 | 178.3° | 180.0° |
| C16 | C17 | C18 | C20 | 179.1° | 180.0° |
| C17 | C16 | C12 | H12 | 1.7° | 0.1° |
| C17 | C16 | C13 | H13 | 1.7° | 0.1° |
| C16 | C17 | C19 | H19 | 1.0° | 0.0° |
| C16 | C17 | C18 | H18 | 0.8° | 0.0° |
| C12 | C16 | C13 | C9 | 0.5° | 0.3° |
| C12 | C16 | C17 | C19 | 59.0° | 180.0° |
| C12 | C16 | C17 | C18 | 119.9° | 0.0° |
| C16 | C12 | C8 | H12 | 180.0° | 179.9° |
| C16 | C12 | C8 | C23 | 0.1° | 0.1° |
| C12 | C16 | C13 | H13 | 179.5° | 179.7° |
| C16 | C12 | C8 | H8 | 179.9° | 180.0° |
| C16 | C13 | C9 | H13 | 180.0° | 179.9° |
| C16 | C13 | C9 | C23 | 0.0° | 0.0° |
| C13 | C16 | C17 | C19 | 122.2° | 0.2° |
| C13 | C16 | C17 | C18 | 58.9° | 179.7° |
| C13 | C16 | C12 | C8 | 0.5° | 0.3° |
| C13 | C16 | C12 | H12 | 179.5° | 179.8° |
| C16 | C13 | C9 | H9 | 180.0° | 179.9° |
| O1 | C5 | C4 | C6 | 9.8° | 4.9° |
| O1 | C5 | C4 | O2 | 179.4° | 180.0° |
| O1 | C5 | C4 | C2 | 170.2° | 175.1° |
| O1 | C5 | O2 | HA | 0.0° | 0.0° |
| C19 | C22 | C21 | H22 | 180.0° | 179.6° |
| C22 | C19 | C17 | H19 | 180.0° | 180.0° |
| C22 | C19 | C17 | C18 | 0.1° | 0.0° |
| C19 | C22 | C21 | C20 | 0.1° | 0.1° |
| C19 | C22 | C21 | H21 | 179.9° | 180.0° |
| C21 | C22 | C19 | C17 | 0.0° | 0.1° |
| C22 | C21 | C20 | C18 | 0.0° | 0.0° |
| C22 | C21 | C20 | H21 | 180.0° | 180.0° |
| C21 | C22 | C19 | H19 | 180.0° | 180.0° |
| C22 | C21 | C20 | H20 | 180.0° | 179.9° |
| C13 | C9 | C23 | H9 | 180.0° | 180.0° |
| C13 | C9 | C23 | C8 | 0.6° | 0.3° |
| C13 | C9 | C23 | C3 | 178.1° | 180.0° |
| C9 | C23 | C8 | C12 | 0.7° | 0.2° |
| C9 | C23 | C8 | C3 | 178.8° | 179.8° |
| C9 | C23 | C3 | C2 | 139.3° | 180.0° |
| C23 | C9 | C13 | H13 | 180.0° | 179.9° |
| C9 | C23 | C8 | H8 | 179.3° | 179.7° |
| C19 | C17 | C18 | C20 | 0.1° | 0.0° |
| C17 | C19 | C22 | H22 | 180.0° | 179.7° |
| C19 | C17 | C18 | H18 | 179.8° | 180.0° |
| C17 | C18 | C20 | H18 | 180.0° | 180.0° |
| C17 | C18 | C20 | C21 | 0.1° | 0.0° |
| C18 | C17 | C19 | H19 | 179.9° | 180.0° |
| C17 | C18 | C20 | H20 | 179.9° | 180.0° |
| C12 | C8 | C23 | H8 | 180.0° | 179.9° |
| C12 | C8 | C23 | C3 | 178.2° | 180.0° |
| C8 | C23 | C3 | C2 | 41.9° | 0.3° |
| C23 | C8 | C12 | H12 | 179.9° | 179.9° |
| C8 | C23 | C9 | H9 | 179.4° | 179.7° |
| C18 | C20 | C21 | H20 | 180.0° | 179.9° |
| C18 | C20 | C21 | H21 | 180.0° | 180.0° |
| C6 | C4 | C2 | C3 | 0.2° | 0.1° |
| C6 | C4 | C5 | C2 | 180.0° | 180.0° |
| C6 | C4 | C5 | O2 | 169.6° | 175.1° |
| C4 | C6 | N10 | C14 | 179.9° | 144.4° |
| C4 | C6 | CB | HB | 179.9° | 179.8° |
| C4 | C6 | N10 | H10 | 0.1° | 35.4° |
| C6 | C4 | C2 | H2 | 179.8° | 179.9° |
| N10 | C6 | C4 | C5 | 0.1° | 0.0° |
| N10 | C6 | C4 | C2 | 179.9° | 180.0° |
| C6 | N10 | C14 | H10 | 180.0° | 179.9° |
| C6 | N10 | C14 | C1 | 179.6° | 175.6° |
| C6 | N10 | C14 | O15 | 0.3° | 4.5° |
| N10 | C6 | CB | HB | 0.0° | 0.2° |
| C3 | C2 | C4 | C5 | 179.8° | 180.0° |
| C3 | C2 | C4 | H2 | 180.0° | 180.0° |
| C2 | C3 | CG | HG | 179.8° | 179.9° |
| C23 | C3 | C2 | C4 | 178.5° | 180.0° |
| C23 | C3 | CG | HG | 1.2° | 0.0° |
| C3 | C23 | C9 | H9 | 1.9° | 0.0° |
| C3 | C23 | C8 | H8 | 1.8° | 0.1° |
| C23 | C3 | C2 | H2 | 1.5° | 0.0° |
| C5 | C4 | C2 | H2 | 0.2° | 0.0° |
| C4 | C5 | O2 | HA | 179.5° | 180.0° |
| C2 | C4 | C5 | O2 | 10.3° | 4.9° |
| C20 | C21 | C22 | H22 | 179.9° | 179.7° |
| C21 | C20 | C18 | H18 | 179.9° | 180.0° |
| N10 | C14 | C1 | O15 | 179.9° | 179.9° |
| N10 | C14 | C1 | H11C | 2.7° | 90.0° |
| N10 | C14 | C1 | H12C | 122.7° | 149.9° |
| N10 | C14 | C1 | H13C | 117.3° | 30.0° |
| C1 | C14 | N10 | H10 | 0.4° | 4.3° |
| C14 | C1 | H11C | H12C | 120.0° | 120.0° |
| C14 | C1 | H11C | H13C | 120.0° | 120.0° |
| C14 | C1 | H12C | H13C | 120.0° | 119.9° |
| O15 | C14 | N10 | H10 | 179.7° | 175.6° |
| O15 | C14 | C1 | H11C | 177.4° | 90.0° |
| O15 | C14 | C1 | H12C | 57.5° | 30.0° |
| O15 | C14 | C1 | H13C | 62.6° | 150.0° |
| HB | CB | CG | HG | 0.1° | 0.3° |
| H12 | C12 | C8 | H8 | 0.1° | 0.1° |
| H13 | C13 | C9 | H9 | 0.1° | 0.0° |
| H22 | C22 | C19 | H19 | 0.0° | 0.4° |
| H22 | C22 | C21 | H21 | 0.1° | 0.3° |
| H21 | C21 | C20 | H20 | 0.0° | 0.1° |
| H18 | C18 | C20 | H20 | 0.1° | 0.0° |
| H11C | C1 | H12C | H13C | 120.0° | 120.1° |
