VBH
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C23 | N2 | sing | 1.47Å | 1.46Å | |
| O2 | C22 | doub | 1.22Å | 1.23Å | |
| O1 | C17 | doub | 1.22Å | 1.23Å | |
| C22 | N2 | sing | 1.35Å | 1.40Å | |
| C22 | C20 | sing | 1.41Å | 1.44Å | |
| N2 | C24 | sing | 1.35Å | 1.37Å | |
| C21 | C20 | sing | 1.51Å | 1.49Å | |
| C20 | C19 | doub | 1.36Å | 1.34Å | |
| C24 | C18 | doub | 1.38Å | 1.36Å | |
| C19 | C18 | sing | 1.42Å | 1.42Å | |
| C18 | C17 | sing | 1.47Å | 1.48Å | |
| C17 | N1 | sing | 1.35Å | 1.35Å | |
| O | C1 | doub | 1.21Å | 1.23Å | |
| C | N | sing | 1.46Å | 1.45Å | |
| N | C1 | sing | 1.35Å | 1.33Å | |
| C1 | C2 | sing | 1.51Å | 1.52Å | |
| N1 | C2 | sing | 1.47Å | 1.45Å | |
| N1 | C3 | sing | 1.47Å | 1.47Å | |
| C3 | C4 | sing | 1.53Å | 1.54Å | |
| C14 | C15 | doub | 1.38Å | 1.38Å | Aromatic |
| C14 | C13 | sing | 1.38Å | 1.38Å | Aromatic |
| C15 | C16 | sing | 1.38Å | 1.38Å | Aromatic |
| C13 | C12 | doub | 1.38Å | 1.38Å | Aromatic |
| C16 | C11 | doub | 1.38Å | 1.39Å | Aromatic |
| C12 | C11 | sing | 1.38Å | 1.39Å | Aromatic |
| C11 | C4 | sing | 1.51Å | 1.52Å | |
| C4 | C5 | sing | 1.51Å | 1.53Å | |
| C10 | C5 | doub | 1.38Å | 1.39Å | Aromatic |
| C10 | C9 | sing | 1.38Å | 1.38Å | Aromatic |
| C5 | C6 | sing | 1.38Å | 1.39Å | Aromatic |
| C9 | C8 | doub | 1.38Å | 1.38Å | Aromatic |
| C6 | C7 | doub | 1.38Å | 1.39Å | Aromatic |
| C8 | C7 | sing | 1.38Å | 1.38Å | Aromatic |
| C4 | H1 | sing | 1.09Å | 1.10Å | |
| C6 | H2 | sing | 1.08Å | 1.08Å | |
| C7 | H3 | sing | 1.08Å | 1.08Å | |
| C8 | H4 | sing | 1.08Å | 1.08Å | |
| C10 | H5 | sing | 1.08Å | 1.08Å | |
| C13 | H6 | sing | 1.08Å | 1.08Å | |
| C15 | H7 | sing | 1.08Å | 1.08Å | |
| C21 | H8 | sing | 1.09Å | 1.10Å | |
| C21 | H9 | sing | 1.09Å | 1.10Å | |
| C21 | H10 | sing | 1.09Å | 1.10Å | |
| C24 | H11 | sing | 1.08Å | 1.08Å | |
| C19 | H12 | sing | 1.08Å | 1.08Å | |
| C23 | H13 | sing | 1.09Å | 1.10Å | |
| C23 | H14 | sing | 1.09Å | 1.10Å | |
| C23 | H15 | sing | 1.09Å | 1.10Å | |
| C2 | H16 | sing | 1.09Å | 1.10Å | |
| C2 | H17 | sing | 1.09Å | 1.10Å | |
| N | H18 | sing | 0.97Å | 1.00Å | |
| C | H19 | sing | 1.09Å | 1.10Å | |
| C | H20 | sing | 1.09Å | 1.10Å | |
| C | H21 | sing | 1.09Å | 1.10Å | |
| C3 | H22 | sing | 1.09Å | 1.10Å | |
| C3 | H23 | sing | 1.09Å | 1.10Å | |
| C16 | H24 | sing | 1.08Å | 1.08Å | |
| C14 | H25 | sing | 1.08Å | 1.08Å | |
| C12 | H26 | sing | 1.08Å | 1.08Å | |
| C9 | H27 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C23 | N2 | C22 | 117.2° | 119.5° |
| C23 | N2 | C24 | 120.5° | 119.5° |
| N2 | C23 | H13 | 109.5° | 109.5° |
| N2 | C23 | H14 | 109.4° | 109.5° |
| N2 | C23 | H15 | 109.5° | 109.4° |
| O2 | C22 | N2 | 119.8° | 119.7° |
| O2 | C22 | C20 | 123.8° | 119.8° |
| O1 | C17 | C18 | 118.7° | 120.0° |
| O1 | C17 | N1 | 122.4° | 120.0° |
| N2 | C22 | C20 | 116.3° | 120.4° |
| C22 | N2 | C24 | 122.2° | 121.1° |
| C22 | C20 | C21 | 117.8° | 120.2° |
| C22 | C20 | C19 | 119.7° | 119.6° |
| N2 | C24 | C18 | 121.0° | 120.4° |
| N2 | C24 | H11 | 119.5° | 119.8° |
| C21 | C20 | C19 | 122.5° | 120.3° |
| C20 | C21 | H8 | 109.5° | 109.5° |
| C20 | C21 | H9 | 109.5° | 109.5° |
| C20 | C21 | H10 | 109.5° | 109.5° |
| C20 | C19 | C18 | 122.9° | 119.0° |
| C20 | C19 | H12 | 118.6° | 120.5° |
| C24 | C18 | C19 | 117.8° | 119.5° |
| C24 | C18 | C17 | 116.7° | 120.2° |
| C18 | C24 | H11 | 119.5° | 119.8° |
| C19 | C18 | C17 | 125.3° | 120.3° |
| C18 | C19 | H12 | 118.5° | 120.5° |
| C18 | C17 | N1 | 118.9° | 120.0° |
| C17 | N1 | C2 | 118.0° | 120.0° |
| C17 | N1 | C3 | 125.6° | 120.0° |
| O | C1 | N | 122.6° | 120.0° |
| O | C1 | C2 | 120.3° | 120.0° |
| C | N | C1 | 122.7° | 120.0° |
| C | N | H18 | 118.7° | 120.0° |
| N | C | H19 | 109.5° | 109.5° |
| N | C | H20 | 109.4° | 109.5° |
| N | C | H21 | 109.5° | 109.5° |
| N | C1 | C2 | 117.0° | 120.0° |
| C1 | N | H18 | 118.7° | 119.9° |
| C1 | C2 | N1 | 113.0° | 109.4° |
| C1 | C2 | H16 | 108.6° | 109.5° |
| C1 | C2 | H17 | 108.6° | 109.5° |
| C2 | N1 | C3 | 115.7° | 120.0° |
| N1 | C2 | H16 | 108.6° | 109.5° |
| N1 | C2 | H17 | 108.6° | 109.4° |
| N1 | C3 | C4 | 113.2° | 109.5° |
| N1 | C3 | H22 | 108.6° | 109.4° |
| N1 | C3 | H23 | 108.5° | 109.4° |
| C3 | C4 | C11 | 111.5° | 109.5° |
| C3 | C4 | C5 | 111.1° | 109.5° |
| C3 | C4 | H1 | 107.5° | 109.5° |
| C4 | C3 | H22 | 108.5° | 109.5° |
| C4 | C3 | H23 | 108.5° | 109.5° |
| C15 | C14 | C13 | 119.6° | 120.0° |
| C14 | C15 | C16 | 120.3° | 120.0° |
| C14 | C15 | H7 | 119.9° | 120.1° |
| C15 | C14 | H25 | 120.2° | 120.0° |
| C14 | C13 | C12 | 120.2° | 120.0° |
| C14 | C13 | H6 | 119.9° | 120.0° |
| C13 | C14 | H25 | 120.2° | 120.0° |
| C15 | C16 | C11 | 120.7° | 120.0° |
| C16 | C15 | H7 | 119.8° | 119.9° |
| C15 | C16 | H24 | 119.6° | 120.0° |
| C13 | C12 | C11 | 120.6° | 120.1° |
| C12 | C13 | H6 | 119.9° | 120.1° |
| C13 | C12 | H26 | 119.7° | 119.9° |
| C16 | C11 | C12 | 118.5° | 119.9° |
| C16 | C11 | C4 | 120.7° | 120.0° |
| C11 | C16 | H24 | 119.7° | 120.0° |
| C12 | C11 | C4 | 120.8° | 120.0° |
| C11 | C12 | H26 | 119.7° | 120.0° |
| C11 | C4 | C5 | 111.1° | 109.5° |
| C11 | C4 | H1 | 107.7° | 109.5° |
| C4 | C5 | C10 | 121.8° | 120.0° |
| C4 | C5 | C6 | 119.7° | 120.0° |
| C5 | C4 | H1 | 107.7° | 109.5° |
| C5 | C10 | C9 | 120.7° | 120.0° |
| C10 | C5 | C6 | 118.5° | 120.0° |
| C5 | C10 | H5 | 119.7° | 120.0° |
| C10 | C9 | C8 | 120.3° | 120.0° |
| C9 | C10 | H5 | 119.7° | 120.1° |
| C10 | C9 | H27 | 119.8° | 120.0° |
| C5 | C6 | C7 | 120.7° | 120.0° |
| C5 | C6 | H2 | 119.6° | 120.0° |
| C9 | C8 | C7 | 119.6° | 120.0° |
| C9 | C8 | H4 | 120.2° | 120.0° |
| C8 | C9 | H27 | 119.9° | 120.0° |
| C6 | C7 | C8 | 120.2° | 120.0° |
| C7 | C6 | H2 | 119.6° | 120.0° |
| C6 | C7 | H3 | 119.9° | 120.0° |
| C8 | C7 | H3 | 119.9° | 120.1° |
| C7 | C8 | H4 | 120.2° | 119.9° |
| H8 | C21 | H9 | 109.5° | 109.5° |
| H8 | C21 | H10 | 109.5° | 109.4° |
| H9 | C21 | H10 | 109.4° | 109.4° |
| H13 | C23 | H14 | 109.5° | 109.5° |
| H13 | C23 | H15 | 109.5° | 109.4° |
| H14 | C23 | H15 | 109.5° | 109.5° |
| H16 | C2 | H17 | 109.5° | 109.5° |
| H19 | C | H20 | 109.5° | 109.4° |
| H19 | C | H21 | 109.4° | 109.4° |
| H20 | C | H21 | 109.5° | 109.4° |
| H22 | C3 | H23 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C23 | N2 | C22 | O2 | 2.0° | 0.0° |
| C23 | N2 | C22 | C24 | 179.2° | 180.0° |
| C23 | N2 | C22 | C20 | 178.8° | 180.0° |
| C23 | N2 | C24 | C18 | 178.9° | 179.7° |
| C23 | N2 | C24 | H11 | 1.1° | 0.3° |
| N2 | C23 | H13 | H14 | 120.0° | 120.0° |
| N2 | C23 | H13 | H15 | 120.0° | 120.0° |
| N2 | C23 | H14 | H15 | 120.0° | 120.0° |
| O2 | C22 | N2 | C20 | 179.2° | 180.0° |
| O2 | C22 | N2 | C24 | 178.8° | 180.0° |
| O2 | C22 | C20 | C21 | 3.2° | 0.2° |
| O2 | C22 | C20 | C19 | 178.2° | 180.0° |
| O1 | C17 | C18 | C24 | 90.5° | 100.8° |
| O1 | C17 | C18 | C19 | 85.3° | 79.8° |
| O1 | C17 | C18 | N1 | 178.5° | 180.0° |
| O1 | C17 | N1 | C2 | 2.9° | 175.2° |
| O1 | C17 | N1 | C3 | 167.4° | 4.5° |
| N2 | C22 | C20 | C21 | 177.6° | 179.7° |
| N2 | C22 | C20 | C19 | 1.0° | 0.0° |
| C22 | N2 | C24 | C18 | 0.3° | 0.3° |
| C22 | N2 | C24 | H11 | 179.7° | 179.7° |
| C22 | N2 | C23 | H13 | 180.0° | 0.0° |
| C22 | N2 | C23 | H14 | 60.0° | 120.0° |
| C22 | N2 | C23 | H15 | 60.0° | 120.0° |
| C20 | C22 | N2 | C24 | 0.4° | 0.0° |
| C22 | C20 | C21 | C19 | 178.5° | 179.8° |
| C22 | C20 | C19 | C18 | 1.5° | 0.2° |
| C22 | C20 | C21 | H8 | 180.0° | 89.8° |
| C22 | C20 | C21 | H9 | 60.0° | 30.3° |
| C22 | C20 | C21 | H10 | 60.0° | 150.3° |
| C22 | C20 | C19 | H12 | 178.5° | 179.7° |
| N2 | C24 | C18 | H11 | 180.0° | 179.4° |
| N2 | C24 | C18 | C19 | 0.7° | 0.6° |
| N2 | C24 | C18 | C17 | 175.5° | 180.0° |
| C24 | N2 | C23 | H13 | 0.8° | 180.0° |
| C24 | N2 | C23 | H14 | 119.2° | 60.0° |
| C24 | N2 | C23 | H15 | 120.8° | 60.0° |
| C21 | C20 | C19 | C18 | 177.0° | 180.0° |
| C20 | C21 | H8 | H9 | 120.0° | 120.1° |
| C20 | C21 | H8 | H10 | 120.0° | 120.0° |
| C20 | C21 | H9 | H10 | 120.0° | 120.0° |
| C21 | C20 | C19 | H12 | 3.0° | 0.1° |
| C20 | C19 | C18 | C24 | 1.3° | 0.6° |
| C20 | C19 | C18 | H12 | 180.0° | 179.9° |
| C20 | C19 | C18 | C17 | 174.5° | 180.0° |
| C19 | C20 | C21 | H8 | 1.5° | 90.0° |
| C19 | C20 | C21 | H9 | 121.5° | 149.9° |
| C19 | C20 | C21 | H10 | 118.5° | 30.0° |
| C24 | C18 | C19 | C17 | 175.8° | 179.4° |
| C24 | C18 | C17 | N1 | 88.0° | 79.1° |
| C24 | C18 | C19 | H12 | 178.7° | 179.4° |
| C19 | C18 | C17 | N1 | 96.2° | 100.3° |
| C19 | C18 | C24 | H11 | 179.3° | 180.0° |
| C18 | C17 | N1 | C2 | 178.7° | 4.9° |
| C18 | C17 | N1 | C3 | 11.1° | 175.5° |
| C17 | C18 | C24 | H11 | 4.5° | 0.6° |
| C17 | C18 | C19 | H12 | 5.5° | 0.1° |
| C17 | N1 | C2 | C1 | 74.1° | 95.6° |
| C17 | N1 | C2 | C3 | 171.2° | 179.7° |
| C17 | N1 | C3 | C4 | 116.4° | 89.7° |
| C17 | N1 | C2 | H16 | 46.5° | 24.4° |
| C17 | N1 | C2 | H17 | 165.4° | 144.4° |
| C17 | N1 | C3 | H22 | 123.0° | 30.3° |
| C17 | N1 | C3 | H23 | 4.1° | 150.3° |
| O | C1 | N | C | 11.6° | 0.0° |
| O | C1 | N | C2 | 179.6° | 180.0° |
| O | C1 | C2 | N1 | 9.6° | 0.0° |
| O | C1 | C2 | H16 | 130.2° | 119.9° |
| O | C1 | C2 | H17 | 110.9° | 120.0° |
| O | C1 | N | H18 | 168.4° | 179.9° |
| C | N | C1 | H18 | 180.0° | 179.9° |
| C | N | C1 | C2 | 168.0° | 180.0° |
| N | C | H19 | H20 | 120.0° | 120.0° |
| N | C | H19 | H21 | 120.0° | 120.0° |
| N | C | H20 | H21 | 120.0° | 120.1° |
| N | C1 | C2 | N1 | 170.7° | 180.0° |
| N | C1 | C2 | H16 | 50.2° | 60.0° |
| N | C1 | C2 | H17 | 68.7° | 60.0° |
| C1 | N | C | H19 | 180.0° | 180.0° |
| C1 | N | C | H20 | 60.0° | 60.0° |
| C1 | N | C | H21 | 60.0° | 60.0° |
| C1 | C2 | N1 | H16 | 120.6° | 120.0° |
| C1 | C2 | N1 | H17 | 120.5° | 120.0° |
| C1 | C2 | N1 | C3 | 97.1° | 84.7° |
| C1 | C2 | H16 | H17 | 118.4° | 120.0° |
| C2 | C1 | N | H18 | 12.0° | 0.0° |
| C2 | N1 | C3 | C4 | 73.1° | 90.0° |
| N1 | C2 | H16 | H17 | 118.4° | 120.0° |
| C2 | N1 | C3 | H22 | 47.4° | 150.0° |
| C2 | N1 | C3 | H23 | 166.3° | 30.0° |
| N1 | C3 | C4 | H22 | 120.6° | 120.0° |
| N1 | C3 | C4 | H23 | 120.6° | 120.0° |
| N1 | C3 | C4 | C11 | 72.1° | 65.0° |
| N1 | C3 | C4 | C5 | 163.4° | 175.0° |
| N1 | C3 | C4 | H1 | 45.8° | 55.0° |
| C3 | N1 | C2 | H16 | 142.3° | 155.3° |
| C3 | N1 | C2 | H17 | 23.4° | 35.3° |
| N1 | C3 | H22 | H23 | 118.3° | 119.9° |
| C3 | C4 | C11 | C16 | 108.2° | 113.3° |
| C3 | C4 | C11 | C12 | 71.8° | 67.2° |
| C3 | C4 | C11 | C5 | 124.5° | 120.0° |
| C3 | C4 | C11 | H1 | 117.8° | 120.0° |
| C3 | C4 | C5 | H1 | 117.5° | 120.0° |
| C3 | C4 | C5 | C10 | 23.5° | 134.9° |
| C3 | C4 | C5 | C6 | 158.3° | 44.8° |
| C4 | C3 | H22 | H23 | 118.2° | 120.0° |
| C15 | C14 | C13 | H25 | 180.0° | 179.8° |
| C14 | C15 | C16 | H7 | 180.0° | 179.7° |
| C15 | C14 | C13 | C12 | 0.3° | 0.1° |
| C14 | C15 | C16 | C11 | 0.1° | 0.3° |
| C15 | C14 | C13 | H6 | 179.7° | 179.8° |
| C14 | C15 | C16 | H24 | 179.9° | 179.6° |
| C13 | C14 | C15 | C16 | 0.2° | 0.1° |
| C14 | C13 | C12 | H6 | 180.0° | 179.7° |
| C14 | C13 | C12 | C11 | 0.0° | 0.3° |
| C13 | C14 | C15 | H7 | 179.8° | 179.8° |
| C14 | C13 | C12 | H26 | 180.0° | 179.7° |
| C15 | C16 | C11 | H24 | 180.0° | 180.0° |
| C15 | C16 | C11 | C12 | 0.4° | 0.5° |
| C15 | C16 | C11 | C4 | 179.6° | 180.0° |
| C16 | C15 | C14 | H25 | 179.8° | 180.0° |
| C13 | C12 | C11 | C16 | 0.3° | 0.5° |
| C13 | C12 | C11 | H26 | 180.0° | 179.9° |
| C13 | C12 | C11 | C4 | 179.7° | 180.0° |
| C12 | C13 | C14 | H25 | 179.7° | 179.9° |
| C16 | C11 | C12 | C4 | 180.0° | 179.5° |
| C16 | C11 | C4 | C5 | 127.3° | 126.7° |
| C16 | C11 | C4 | H1 | 9.6° | 6.7° |
| C11 | C16 | C15 | H7 | 179.9° | 180.0° |
| C16 | C11 | C12 | H26 | 179.7° | 179.5° |
| C12 | C11 | C4 | C5 | 52.7° | 52.8° |
| C12 | C11 | C4 | H1 | 170.4° | 172.8° |
| C11 | C12 | C13 | H6 | 180.0° | 180.0° |
| C12 | C11 | C16 | H24 | 179.6° | 179.5° |
| C11 | C4 | C5 | H1 | 117.7° | 120.0° |
| C11 | C4 | C5 | C10 | 101.3° | 105.1° |
| C11 | C4 | C5 | C6 | 77.0° | 75.2° |
| C11 | C4 | C3 | H22 | 167.4° | 55.0° |
| C11 | C4 | C3 | H23 | 48.5° | 175.0° |
| C4 | C11 | C16 | H24 | 0.4° | 0.0° |
| C4 | C11 | C12 | H26 | 0.3° | 0.0° |
| C4 | C5 | C10 | C6 | 178.3° | 179.6° |
| C4 | C5 | C10 | C9 | 177.9° | 179.7° |
| C4 | C5 | C6 | C7 | 177.8° | 180.0° |
| C4 | C5 | C6 | H2 | 2.2° | 0.1° |
| C4 | C5 | C10 | H5 | 2.1° | 0.1° |
| C5 | C4 | C3 | H22 | 42.8° | 65.0° |
| C5 | C4 | C3 | H23 | 76.0° | 55.0° |
| C5 | C10 | C9 | H5 | 180.0° | 179.7° |
| C5 | C10 | C9 | C8 | 0.1° | 0.6° |
| C10 | C5 | C6 | C7 | 0.5° | 0.4° |
| C10 | C5 | C4 | H1 | 141.0° | 14.9° |
| C10 | C5 | C6 | H2 | 179.5° | 179.8° |
| C5 | C10 | C9 | H27 | 179.9° | 179.9° |
| C9 | C10 | C5 | C6 | 0.4° | 0.6° |
| C10 | C9 | C8 | H27 | 180.0° | 179.5° |
| C10 | C9 | C8 | C7 | 0.2° | 0.2° |
| C10 | C9 | C8 | H4 | 179.8° | 179.8° |
| C5 | C6 | C7 | H2 | 180.0° | 179.9° |
| C5 | C6 | C7 | C8 | 0.2° | 0.0° |
| C6 | C5 | C4 | H1 | 40.8° | 164.7° |
| C5 | C6 | C7 | H3 | 179.8° | 179.9° |
| C6 | C5 | C10 | H5 | 179.6° | 179.7° |
| C9 | C8 | C7 | C6 | 0.1° | 0.0° |
| C9 | C8 | C7 | H4 | 180.0° | 180.0° |
| C9 | C8 | C7 | H3 | 179.9° | 180.0° |
| C8 | C9 | C10 | H5 | 179.9° | 179.8° |
| C6 | C7 | C8 | H3 | 180.0° | 179.9° |
| C6 | C7 | C8 | H4 | 179.9° | 180.0° |
| C8 | C7 | C6 | H2 | 179.8° | 179.9° |
| C7 | C8 | C9 | H27 | 179.8° | 179.7° |
| H1 | C4 | C3 | H22 | 74.8° | 175.0° |
| H1 | C4 | C3 | H23 | 166.4° | 65.0° |
| H2 | C6 | C7 | H3 | 0.2° | 0.0° |
| H3 | C7 | C8 | H4 | 0.1° | 0.0° |
| H4 | C8 | C9 | H27 | 0.1° | 0.3° |
| H5 | C10 | C9 | H27 | 0.1° | 0.3° |
| H6 | C13 | C14 | H25 | 0.3° | 0.3° |
| H6 | C13 | C12 | H26 | 0.0° | 0.0° |
| H7 | C15 | C16 | H24 | 0.1° | 0.0° |
| H7 | C15 | C14 | H25 | 0.2° | 0.4° |
| H8 | C21 | H9 | H10 | 120.0° | 120.0° |
| H13 | C23 | H14 | H15 | 120.0° | 120.0° |
| H18 | N | C | H19 | 0.0° | 0.1° |
| H18 | N | C | H20 | 120.0° | 120.0° |
| H18 | N | C | H21 | 120.0° | 120.0° |
| H19 | C | H20 | H21 | 120.0° | 119.9° |
