4VC
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C5 | C4 | doub | 1.38Å | 1.38Å | Aromatic |
| C5 | C6 | sing | 1.38Å | 1.38Å | Aromatic |
| C4 | C3 | sing | 1.38Å | 1.38Å | Aromatic |
| C6 | C7 | doub | 1.39Å | 1.39Å | Aromatic |
| C3 | C2 | doub | 1.38Å | 1.38Å | Aromatic |
| C7 | C2 | sing | 1.39Å | 1.39Å | Aromatic |
| C7 | N8 | sing | 1.40Å | 1.42Å | |
| C2 | CL1 | sing | 1.74Å | 1.74Å | |
| O10 | C9 | doub | 1.22Å | 1.23Å | |
| N8 | C9 | sing | 1.35Å | 1.38Å | |
| C9 | N11 | sing | 1.35Å | 1.35Å | |
| N11 | C12 | sing | 1.46Å | 1.46Å | |
| C15 | C14 | doub | 1.39Å | 1.38Å | Aromatic |
| C15 | C16 | sing | 1.38Å | 1.37Å | Aromatic |
| C14 | C13 | sing | 1.39Å | 1.39Å | Aromatic |
| C16 | N17 | doub | 1.32Å | 1.34Å | Aromatic |
| N17 | C18 | sing | 1.32Å | 1.34Å | Aromatic |
| C13 | C18 | doub | 1.38Å | 1.39Å | Aromatic |
| C13 | C12 | sing | 1.51Å | 1.51Å | |
| C3 | H19 | sing | 1.08Å | 1.08Å | |
| C5 | H21 | sing | 1.08Å | 1.08Å | |
| C6 | H22 | sing | 1.08Å | 1.08Å | |
| C12 | H25 | sing | 1.09Å | 1.10Å | |
| C12 | H26 | sing | 1.09Å | 1.10Å | |
| C14 | H27 | sing | 1.08Å | 1.08Å | |
| C15 | H28 | sing | 1.08Å | 1.08Å | |
| C16 | H29 | sing | 1.08Å | 1.08Å | |
| C4 | H20 | sing | 1.08Å | 1.08Å | |
| N8 | H23 | sing | 0.97Å | 1.00Å | |
| N11 | H24 | sing | 0.97Å | 1.00Å | |
| C18 | H30 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C4 | C5 | C6 | 120.2° | 120.1° |
| C5 | C4 | C3 | 120.1° | 120.2° |
| C4 | C5 | H21 | 119.9° | 120.0° |
| C5 | C4 | H20 | 119.9° | 119.9° |
| C5 | C6 | C7 | 120.4° | 119.9° |
| C6 | C5 | H21 | 119.9° | 119.9° |
| C5 | C6 | H22 | 119.8° | 120.0° |
| C4 | C3 | C2 | 119.8° | 120.0° |
| C4 | C3 | H19 | 120.1° | 120.0° |
| C3 | C4 | H20 | 119.9° | 119.9° |
| C6 | C7 | C2 | 118.7° | 119.9° |
| C6 | C7 | N8 | 123.3° | 120.1° |
| C7 | C6 | H22 | 119.8° | 120.0° |
| C3 | C2 | C7 | 120.8° | 119.9° |
| C3 | C2 | CL1 | 118.5° | 120.1° |
| C2 | C3 | H19 | 120.1° | 119.9° |
| C2 | C7 | N8 | 118.0° | 120.1° |
| C7 | C2 | CL1 | 120.7° | 120.1° |
| C7 | N8 | C9 | 129.2° | 120.0° |
| C7 | N8 | H23 | 115.4° | 120.0° |
| O10 | C9 | N8 | 123.0° | 120.0° |
| O10 | C9 | N11 | 122.9° | 120.0° |
| N8 | C9 | N11 | 114.2° | 120.1° |
| C9 | N8 | H23 | 115.4° | 119.9° |
| C9 | N11 | C12 | 123.3° | 120.0° |
| C9 | N11 | H24 | 118.3° | 119.9° |
| N11 | C12 | C13 | 113.5° | 109.5° |
| N11 | C12 | H25 | 108.5° | 109.4° |
| N11 | C12 | H26 | 108.5° | 109.5° |
| C12 | N11 | H24 | 118.3° | 120.1° |
| C14 | C15 | C16 | 119.6° | 119.2° |
| C15 | C14 | C13 | 119.0° | 118.4° |
| C15 | C14 | H27 | 120.5° | 120.8° |
| C14 | C15 | H28 | 120.3° | 120.5° |
| C15 | C16 | N17 | 122.4° | 120.7° |
| C16 | C15 | H28 | 120.2° | 120.4° |
| C15 | C16 | H29 | 118.8° | 119.6° |
| C14 | C13 | C18 | 117.9° | 119.2° |
| C14 | C13 | C12 | 121.4° | 120.4° |
| C13 | C14 | H27 | 120.5° | 120.8° |
| C16 | N17 | C18 | 118.0° | 121.8° |
| N17 | C16 | H29 | 118.8° | 119.6° |
| N17 | C18 | C13 | 123.2° | 120.8° |
| N17 | C18 | H30 | 118.4° | 119.7° |
| C18 | C13 | C12 | 120.7° | 120.4° |
| C13 | C18 | H30 | 118.4° | 119.6° |
| C13 | C12 | H25 | 108.4° | 109.5° |
| C13 | C12 | H26 | 108.4° | 109.4° |
| H25 | C12 | H26 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C4 | C5 | C6 | H21 | 180.0° | 179.7° |
| C5 | C4 | C3 | H20 | 180.0° | 179.6° |
| C4 | C5 | C6 | C7 | 0.0° | 0.3° |
| C5 | C4 | C3 | C2 | 0.0° | 0.0° |
| C5 | C4 | C3 | H19 | 180.0° | 180.0° |
| C4 | C5 | C6 | H22 | 179.9° | 180.0° |
| C6 | C5 | C4 | C3 | 0.0° | 0.4° |
| C5 | C6 | C7 | H22 | 180.0° | 179.7° |
| C5 | C6 | C7 | C2 | 0.0° | 0.0° |
| C5 | C6 | C7 | N8 | 180.0° | 180.0° |
| C6 | C5 | C4 | H20 | 180.0° | 180.0° |
| C4 | C3 | C2 | H19 | 180.0° | 179.9° |
| C4 | C3 | C2 | C7 | 0.0° | 0.3° |
| C4 | C3 | C2 | CL1 | 180.0° | 179.9° |
| C3 | C4 | C5 | H21 | 180.0° | 180.0° |
| C6 | C7 | C2 | C3 | 0.0° | 0.3° |
| C6 | C7 | C2 | N8 | 180.0° | 180.0° |
| C6 | C7 | C2 | CL1 | 180.0° | 179.9° |
| C6 | C7 | N8 | C9 | 29.6° | 24.8° |
| C7 | C6 | C5 | H21 | 180.0° | 180.0° |
| C6 | C7 | N8 | H23 | 150.4° | 155.3° |
| C3 | C2 | C7 | CL1 | 179.9° | 179.7° |
| C3 | C2 | C7 | N8 | 180.0° | 179.7° |
| C2 | C3 | C4 | H20 | 180.0° | 179.7° |
| C2 | C7 | N8 | C9 | 150.4° | 155.2° |
| C7 | C2 | C3 | H19 | 180.0° | 179.7° |
| C2 | C7 | C6 | H22 | 179.9° | 179.7° |
| C2 | C7 | N8 | H23 | 29.6° | 24.8° |
| N8 | C7 | C2 | CL1 | 0.0° | 0.0° |
| C7 | N8 | C9 | O10 | 7.7° | 5.6° |
| C7 | N8 | C9 | H23 | 180.0° | 180.0° |
| C7 | N8 | C9 | N11 | 172.4° | 174.4° |
| N8 | C7 | C6 | H22 | 0.1° | 0.3° |
| CL1 | C2 | C3 | H19 | 0.0° | 0.0° |
| O10 | C9 | N8 | N11 | 180.0° | 180.0° |
| O10 | C9 | N11 | C12 | 8.0° | 0.0° |
| O10 | C9 | N8 | H23 | 172.3° | 174.3° |
| O10 | C9 | N11 | H24 | 172.0° | 179.9° |
| N8 | C9 | N11 | C12 | 172.0° | 180.0° |
| N8 | C9 | N11 | H24 | 8.0° | 0.1° |
| C9 | N11 | C12 | H24 | 180.0° | 179.9° |
| C9 | N11 | C12 | C13 | 110.0° | 180.0° |
| C9 | N11 | C12 | H25 | 10.6° | 60.0° |
| C9 | N11 | C12 | H26 | 129.4° | 60.0° |
| N11 | C9 | N8 | H23 | 7.7° | 5.6° |
| N11 | C12 | C13 | C14 | 16.9° | 89.8° |
| N11 | C12 | C13 | C18 | 163.0° | 90.0° |
| N11 | C12 | C13 | H25 | 120.6° | 120.0° |
| N11 | C12 | C13 | H26 | 120.6° | 119.9° |
| N11 | C12 | H25 | H26 | 118.2° | 120.0° |
| C14 | C15 | C16 | H28 | 180.0° | 179.9° |
| C15 | C14 | C13 | H27 | 180.0° | 179.9° |
| C14 | C15 | C16 | N17 | 0.0° | 0.1° |
| C15 | C14 | C13 | C18 | 0.1° | 0.1° |
| C15 | C14 | C13 | C12 | 180.0° | 179.7° |
| C14 | C15 | C16 | H29 | 180.0° | 180.0° |
| C16 | C15 | C14 | C13 | 0.0° | 0.1° |
| C15 | C16 | N17 | H29 | 180.0° | 180.0° |
| C15 | C16 | N17 | C18 | 0.0° | 0.0° |
| C16 | C15 | C14 | H27 | 179.9° | 180.0° |
| C14 | C13 | C18 | N17 | 0.1° | 0.0° |
| C14 | C13 | C18 | C12 | 179.9° | 179.8° |
| C14 | C13 | C12 | H25 | 137.5° | 30.2° |
| C14 | C13 | C12 | H26 | 103.7° | 150.3° |
| C13 | C14 | C15 | H28 | 180.0° | 180.0° |
| C14 | C13 | C18 | H30 | 179.9° | 179.7° |
| C16 | N17 | C18 | C13 | 0.1° | 0.0° |
| N17 | C16 | C15 | H28 | 180.0° | 179.9° |
| C16 | N17 | C18 | H30 | 179.9° | 179.7° |
| N17 | C18 | C13 | H30 | 180.0° | 179.7° |
| N17 | C18 | C13 | C12 | 180.0° | 179.8° |
| C18 | N17 | C16 | H29 | 180.0° | 179.9° |
| C18 | C13 | C12 | H25 | 42.4° | 150.0° |
| C18 | C13 | C12 | H26 | 76.4° | 29.9° |
| C18 | C13 | C14 | H27 | 179.9° | 180.0° |
| C13 | C12 | H25 | H26 | 118.1° | 120.0° |
| C12 | C13 | C14 | H27 | 0.0° | 0.2° |
| C13 | C12 | N11 | H24 | 70.0° | 0.0° |
| C12 | C13 | C18 | H30 | 0.0° | 0.1° |
| H19 | C3 | C4 | H20 | 0.0° | 0.4° |
| H21 | C5 | C6 | H22 | 0.0° | 0.3° |
| H21 | C5 | C4 | H20 | 0.0° | 0.3° |
| H25 | C12 | N11 | H24 | 169.4° | 120.1° |
| H26 | C12 | N11 | H24 | 50.6° | 119.9° |
| H27 | C14 | C15 | H28 | 0.0° | 0.1° |
| H28 | C15 | C16 | H29 | 0.0° | 0.1° |
