VBF
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N05 | C04 | trip | 1.14Å | 1.13Å | |
| C04 | C03 | sing | 1.43Å | 1.53Å | |
| C06 | C03 | doub | 1.40Å | 1.38Å | Aromatic |
| C06 | C07 | sing | 1.38Å | 1.38Å | Aromatic |
| C03 | C02 | sing | 1.40Å | 1.38Å | Aromatic |
| C07 | C08 | doub | 1.38Å | 1.38Å | Aromatic |
| C02 | C01 | sing | 1.51Å | 1.53Å | |
| C02 | C09 | doub | 1.39Å | 1.41Å | Aromatic |
| C08 | C09 | sing | 1.40Å | 1.39Å | Aromatic |
| C09 | C10 | sing | 1.48Å | 1.40Å | |
| C10 | C11 | doub | 1.40Å | 1.39Å | Aromatic |
| C10 | N34 | sing | 1.33Å | 1.33Å | Aromatic |
| O29 | C28 | doub | 1.22Å | 1.19Å | |
| C11 | C12 | sing | 1.39Å | 1.39Å | Aromatic |
| C30 | C28 | sing | 1.40Å | 1.39Å | |
| C30 | C13 | doub | 1.38Å | 1.39Å | |
| C28 | N16 | sing | 1.35Å | 1.33Å | |
| N34 | C32 | doub | 1.32Å | 1.32Å | Aromatic |
| C12 | C13 | sing | 1.48Å | 1.39Å | |
| C12 | N31 | doub | 1.33Å | 1.32Å | Aromatic |
| C13 | C14 | sing | 1.41Å | 1.39Å | |
| C19 | C20 | doub | 1.39Å | 1.39Å | Aromatic |
| C19 | C18 | sing | 1.38Å | 1.38Å | Aromatic |
| C20 | C21 | sing | 1.39Å | 1.39Å | Aromatic |
| C32 | N31 | sing | 1.32Å | 1.32Å | Aromatic |
| C32 | N33 | sing | 1.38Å | 1.45Å | |
| N16 | C17 | sing | 1.46Å | 1.46Å | |
| N16 | C15 | sing | 1.36Å | 1.32Å | |
| C17 | C18 | sing | 1.51Å | 1.53Å | |
| C18 | N27 | doub | 1.32Å | 1.32Å | Aromatic |
| C14 | C15 | doub | 1.35Å | 1.39Å | |
| C21 | C22 | doub | 1.38Å | 1.38Å | Aromatic |
| N27 | C22 | sing | 1.32Å | 1.32Å | Aromatic |
| C22 | C23 | sing | 1.51Å | 1.53Å | |
| C24 | C23 | sing | 1.53Å | 1.53Å | |
| C23 | O26 | sing | 1.43Å | 1.40Å | |
| C23 | C25 | sing | 1.53Å | 1.53Å | |
| C15 | H1 | sing | 1.08Å | 1.08Å | |
| C17 | H2 | sing | 1.09Å | 1.10Å | |
| C17 | H3 | sing | 1.09Å | 1.10Å | |
| C20 | H4 | sing | 1.08Å | 1.08Å | |
| C21 | H5 | sing | 1.08Å | 1.08Å | |
| C24 | H6 | sing | 1.09Å | 1.10Å | |
| C24 | H7 | sing | 1.09Å | 1.10Å | |
| C24 | H8 | sing | 1.09Å | 1.10Å | |
| C01 | H9 | sing | 1.09Å | 1.10Å | |
| C01 | H10 | sing | 1.09Å | 1.10Å | |
| C01 | H11 | sing | 1.09Å | 1.10Å | |
| C06 | H12 | sing | 1.08Å | 1.08Å | |
| C07 | H13 | sing | 1.08Å | 1.08Å | |
| C08 | H14 | sing | 1.08Å | 1.08Å | |
| C11 | H15 | sing | 1.08Å | 1.08Å | |
| C14 | H16 | sing | 1.08Å | 1.08Å | |
| C19 | H17 | sing | 1.08Å | 1.08Å | |
| C25 | H18 | sing | 1.09Å | 1.10Å | |
| C25 | H19 | sing | 1.09Å | 1.10Å | |
| C25 | H20 | sing | 1.09Å | 1.10Å | |
| C30 | H21 | sing | 1.08Å | 1.08Å | |
| N33 | H22 | sing | 0.97Å | 1.00Å | |
| N33 | H23 | sing | 0.97Å | 1.00Å | |
| O26 | H24 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N05 | C04 | C03 | 179.6° | 180.0° |
| C04 | C03 | C06 | 119.8° | 120.1° |
| C04 | C03 | C02 | 119.1° | 120.1° |
| C03 | C06 | C07 | 119.5° | 120.1° |
| C06 | C03 | C02 | 121.2° | 119.8° |
| C03 | C06 | H12 | 120.3° | 120.0° |
| C06 | C07 | C08 | 119.7° | 120.3° |
| C07 | C06 | H12 | 120.3° | 119.9° |
| C06 | C07 | H13 | 120.1° | 119.9° |
| C03 | C02 | C01 | 115.3° | 120.1° |
| C03 | C02 | C09 | 119.7° | 119.7° |
| C07 | C08 | C09 | 121.7° | 120.2° |
| C08 | C07 | H13 | 120.1° | 119.8° |
| C07 | C08 | H14 | 119.1° | 119.9° |
| C01 | C02 | C09 | 125.0° | 120.2° |
| C02 | C01 | H9 | 109.5° | 109.5° |
| C02 | C01 | H10 | 109.4° | 109.5° |
| C02 | C01 | H11 | 109.5° | 109.5° |
| C02 | C09 | C08 | 118.3° | 119.9° |
| C02 | C09 | C10 | 126.7° | 120.0° |
| C08 | C09 | C10 | 115.1° | 120.1° |
| C09 | C08 | H14 | 119.2° | 119.9° |
| C09 | C10 | C11 | 124.6° | 120.5° |
| C09 | C10 | N34 | 117.9° | 120.5° |
| C11 | C10 | N34 | 117.5° | 119.0° |
| C10 | C11 | C12 | 119.3° | 118.3° |
| C10 | C11 | H15 | 120.4° | 120.8° |
| C10 | N34 | C32 | 122.0° | 120.9° |
| O29 | C28 | C30 | 120.3° | 119.9° |
| O29 | C28 | N16 | 119.8° | 119.9° |
| C11 | C12 | C13 | 119.9° | 120.4° |
| C11 | C12 | N31 | 119.5° | 119.1° |
| C12 | C11 | H15 | 120.3° | 120.9° |
| C28 | C30 | C13 | 119.3° | 119.0° |
| C30 | C28 | N16 | 119.9° | 120.2° |
| C28 | C30 | H21 | 120.4° | 120.5° |
| C30 | C13 | C12 | 120.9° | 120.6° |
| C30 | C13 | C14 | 119.1° | 118.9° |
| C13 | C30 | H21 | 120.3° | 120.5° |
| C28 | N16 | C17 | 119.2° | 119.5° |
| C28 | N16 | C15 | 121.9° | 121.1° |
| N34 | C32 | N31 | 121.4° | 121.8° |
| N34 | C32 | N33 | 119.3° | 119.1° |
| C13 | C12 | N31 | 120.6° | 120.5° |
| C12 | C13 | C14 | 120.0° | 120.5° |
| C12 | N31 | C32 | 120.3° | 120.8° |
| C13 | C14 | C15 | 118.5° | 119.8° |
| C13 | C14 | H16 | 120.7° | 120.1° |
| C20 | C19 | C18 | 119.9° | 119.2° |
| C19 | C20 | C21 | 117.9° | 118.4° |
| C19 | C20 | H4 | 121.1° | 120.8° |
| C20 | C19 | H17 | 120.1° | 120.4° |
| C19 | C18 | C17 | 120.7° | 119.6° |
| C19 | C18 | N27 | 120.2° | 120.8° |
| C18 | C19 | H17 | 120.0° | 120.4° |
| C20 | C21 | C22 | 119.2° | 119.2° |
| C21 | C20 | H4 | 121.1° | 120.8° |
| C20 | C21 | H5 | 120.4° | 120.4° |
| N31 | C32 | N33 | 119.3° | 119.0° |
| C32 | N33 | H22 | 109.5° | 120.0° |
| C32 | N33 | H23 | 109.5° | 119.9° |
| C17 | N16 | C15 | 118.9° | 119.4° |
| N16 | C17 | C18 | 107.4° | 109.5° |
| N16 | C17 | H2 | 110.0° | 109.4° |
| N16 | C17 | H3 | 110.0° | 109.5° |
| N16 | C15 | C14 | 121.3° | 121.0° |
| N16 | C15 | H1 | 119.3° | 119.5° |
| C17 | C18 | N27 | 119.1° | 119.6° |
| C18 | C17 | H2 | 110.0° | 109.5° |
| C18 | C17 | H3 | 110.0° | 109.5° |
| C18 | N27 | C22 | 121.8° | 121.7° |
| C14 | C15 | H1 | 119.3° | 119.6° |
| C15 | C14 | H16 | 120.7° | 120.1° |
| C21 | C22 | N27 | 121.0° | 120.8° |
| C21 | C22 | C23 | 120.7° | 119.6° |
| C22 | C21 | H5 | 120.4° | 120.4° |
| N27 | C22 | C23 | 118.4° | 119.6° |
| C22 | C23 | C24 | 109.5° | 109.4° |
| C22 | C23 | O26 | 108.3° | 109.4° |
| C22 | C23 | C25 | 109.9° | 109.4° |
| C24 | C23 | O26 | 109.4° | 109.5° |
| C24 | C23 | C25 | 109.9° | 109.5° |
| C23 | C24 | H6 | 109.5° | 109.5° |
| C23 | C24 | H7 | 109.5° | 109.5° |
| C23 | C24 | H8 | 109.5° | 109.5° |
| O26 | C23 | C25 | 109.7° | 109.5° |
| C23 | O26 | H24 | 109.5° | 114.0° |
| C23 | C25 | H18 | 109.5° | 109.5° |
| C23 | C25 | H19 | 109.5° | 109.4° |
| C23 | C25 | H20 | 109.5° | 109.5° |
| H2 | C17 | H3 | 109.5° | 109.5° |
| H6 | C24 | H7 | 109.5° | 109.4° |
| H6 | C24 | H8 | 109.5° | 109.5° |
| H7 | C24 | H8 | 109.5° | 109.4° |
| H9 | C01 | H10 | 109.5° | 109.5° |
| H9 | C01 | H11 | 109.4° | 109.4° |
| H10 | C01 | H11 | 109.5° | 109.4° |
| H18 | C25 | H19 | 109.4° | 109.4° |
| H18 | C25 | H20 | 109.5° | 109.5° |
| H19 | C25 | H20 | 109.5° | 109.4° |
| H22 | N33 | H23 | 109.4° | 120.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N05 | C04 | C03 | C06 | 176.8° | 79.7° |
| N05 | C04 | C03 | C02 | 3.5° | 100.3° |
| C04 | C03 | C06 | C02 | 179.8° | 179.9° |
| C04 | C03 | C06 | C07 | 179.9° | 180.0° |
| C04 | C03 | C02 | C01 | 0.4° | 0.1° |
| C04 | C03 | C02 | C09 | 179.8° | 179.8° |
| C04 | C03 | C06 | H12 | 0.1° | 0.0° |
| C03 | C06 | C07 | H12 | 180.0° | 179.9° |
| C03 | C06 | C07 | C08 | 0.0° | 0.1° |
| C06 | C03 | C02 | C01 | 179.8° | 180.0° |
| C06 | C03 | C02 | C09 | 0.0° | 0.3° |
| C03 | C06 | C07 | H13 | 180.0° | 180.0° |
| C07 | C06 | C03 | C02 | 0.1° | 0.1° |
| C06 | C07 | C08 | H13 | 180.0° | 179.9° |
| C06 | C07 | C08 | C09 | 0.3° | 0.3° |
| C06 | C07 | C08 | H14 | 179.7° | 180.0° |
| C03 | C02 | C01 | C09 | 179.8° | 179.7° |
| C03 | C02 | C09 | C08 | 0.2° | 0.5° |
| C03 | C02 | C09 | C10 | 179.7° | 179.7° |
| C03 | C02 | C01 | H9 | 89.9° | 94.9° |
| C03 | C02 | C01 | H10 | 150.1° | 25.1° |
| C03 | C02 | C01 | H11 | 30.1° | 145.1° |
| C02 | C03 | C06 | H12 | 179.9° | 180.0° |
| C07 | C08 | C09 | C02 | 0.3° | 0.5° |
| C07 | C08 | C09 | H14 | 180.0° | 179.7° |
| C07 | C08 | C09 | C10 | 179.9° | 179.7° |
| C08 | C07 | C06 | H12 | 180.0° | 180.0° |
| C01 | C02 | C09 | C08 | 179.6° | 179.8° |
| C01 | C02 | C09 | C10 | 0.1° | 0.0° |
| C02 | C01 | H9 | H10 | 120.0° | 120.0° |
| C02 | C01 | H9 | H11 | 120.0° | 120.0° |
| C02 | C01 | H10 | H11 | 120.0° | 120.0° |
| C02 | C09 | C08 | C10 | 179.6° | 179.8° |
| C02 | C09 | C10 | C11 | 38.3° | 132.3° |
| C02 | C09 | C10 | N34 | 144.0° | 47.9° |
| C09 | C02 | C01 | H9 | 89.9° | 84.8° |
| C09 | C02 | C01 | H10 | 30.1° | 155.2° |
| C09 | C02 | C01 | H11 | 150.1° | 35.2° |
| C02 | C09 | C08 | H14 | 179.6° | 179.7° |
| C08 | C09 | C10 | C11 | 142.2° | 47.4° |
| C08 | C09 | C10 | N34 | 35.5° | 132.3° |
| C09 | C08 | C07 | H13 | 179.8° | 179.7° |
| C09 | C10 | C11 | N34 | 177.8° | 179.7° |
| C09 | C10 | C11 | C12 | 179.4° | 179.7° |
| C09 | C10 | N34 | C32 | 179.3° | 179.7° |
| C10 | C09 | C08 | H14 | 0.1° | 0.0° |
| C09 | C10 | C11 | H15 | 0.6° | 0.3° |
| C10 | C11 | C12 | H15 | 180.0° | 180.0° |
| C11 | C10 | N34 | C32 | 1.4° | 0.1° |
| C10 | C11 | C12 | C13 | 178.7° | 180.0° |
| C10 | C11 | C12 | N31 | 1.1° | 0.0° |
| N34 | C10 | C11 | C12 | 1.7° | 0.0° |
| C10 | N34 | C32 | N31 | 0.5° | 0.1° |
| C10 | N34 | C32 | N33 | 179.5° | 180.0° |
| N34 | C10 | C11 | H15 | 178.3° | 180.0° |
| O29 | C28 | C30 | N16 | 179.8° | 179.1° |
| O29 | C28 | C30 | C13 | 179.8° | 179.7° |
| O29 | C28 | N16 | C17 | 0.5° | 0.9° |
| O29 | C28 | N16 | C15 | 180.0° | 180.0° |
| O29 | C28 | C30 | H21 | 0.2° | 0.3° |
| C11 | C12 | C13 | C30 | 5.8° | 0.3° |
| C11 | C12 | C13 | N31 | 179.8° | 180.0° |
| C11 | C12 | C13 | C14 | 173.4° | 180.0° |
| C11 | C12 | N31 | C32 | 0.2° | 0.0° |
| C28 | C30 | C13 | H21 | 180.0° | 180.0° |
| C28 | C30 | C13 | C12 | 179.6° | 179.7° |
| C28 | C30 | C13 | C14 | 0.4° | 0.0° |
| C30 | C28 | N16 | C17 | 179.7° | 180.0° |
| C30 | C28 | N16 | C15 | 0.2° | 0.9° |
| C13 | C30 | C28 | N16 | 0.4° | 0.6° |
| C30 | C13 | C12 | C14 | 179.2° | 179.7° |
| C30 | C13 | C12 | N31 | 174.4° | 179.7° |
| C30 | C13 | C14 | C15 | 0.2° | 0.3° |
| C30 | C13 | C14 | H16 | 179.8° | 179.8° |
| C28 | N16 | C17 | C15 | 179.5° | 179.1° |
| C28 | N16 | C17 | C18 | 101.5° | 90.0° |
| C28 | N16 | C15 | C14 | 0.1° | 0.6° |
| C28 | N16 | C15 | H1 | 179.9° | 179.4° |
| C28 | N16 | C17 | H2 | 18.1° | 30.0° |
| C28 | N16 | C17 | H3 | 138.8° | 150.0° |
| N16 | C28 | C30 | H21 | 179.6° | 179.4° |
| N34 | C32 | N31 | C12 | 0.1° | 0.0° |
| N34 | C32 | N31 | N33 | 180.0° | 179.9° |
| N34 | C32 | N33 | H22 | 0.0° | 180.0° |
| N34 | C32 | N33 | H23 | 120.0° | 0.1° |
| C13 | C12 | N31 | C32 | 179.6° | 180.0° |
| C12 | C13 | C14 | C15 | 179.4° | 180.0° |
| C13 | C12 | C11 | H15 | 1.3° | 0.0° |
| C12 | C13 | C14 | H16 | 0.6° | 0.1° |
| C12 | C13 | C30 | H21 | 0.4° | 0.3° |
| N31 | C12 | C13 | C14 | 6.4° | 0.0° |
| C12 | N31 | C32 | N33 | 179.9° | 180.0° |
| N31 | C12 | C11 | H15 | 178.9° | 180.0° |
| C13 | C14 | C15 | N16 | 0.1° | 0.0° |
| C13 | C14 | C15 | H16 | 180.0° | 179.9° |
| C13 | C14 | C15 | H1 | 179.9° | 180.0° |
| C14 | C13 | C30 | H21 | 179.6° | 180.0° |
| C20 | C19 | C18 | H17 | 180.0° | 179.9° |
| C19 | C20 | C21 | H4 | 180.0° | 179.7° |
| C20 | C19 | C18 | C17 | 179.7° | 179.7° |
| C20 | C19 | C18 | N27 | 0.5° | 0.5° |
| C19 | C20 | C21 | C22 | 0.1° | 0.2° |
| C19 | C20 | C21 | H5 | 179.9° | 179.7° |
| C18 | C19 | C20 | C21 | 0.4° | 0.0° |
| C19 | C18 | C17 | N16 | 109.3° | 94.3° |
| C19 | C18 | C17 | N27 | 179.2° | 179.2° |
| C19 | C18 | N27 | C22 | 0.3° | 0.8° |
| C19 | C18 | C17 | H2 | 10.4° | 145.8° |
| C19 | C18 | C17 | H3 | 131.0° | 25.8° |
| C18 | C19 | C20 | H4 | 179.6° | 179.8° |
| C20 | C21 | C22 | H5 | 180.0° | 179.9° |
| C20 | C21 | C22 | N27 | 0.1° | 0.1° |
| C20 | C21 | C22 | C23 | 179.9° | 180.0° |
| C21 | C20 | C19 | H17 | 179.6° | 180.0° |
| N31 | C32 | N33 | H22 | 180.0° | 0.0° |
| N31 | C32 | N33 | H23 | 60.0° | 180.0° |
| C32 | N33 | H22 | H23 | 120.0° | 180.0° |
| N16 | C17 | C18 | H2 | 119.7° | 119.9° |
| N16 | C17 | C18 | H3 | 119.7° | 120.0° |
| N16 | C17 | C18 | N27 | 69.9° | 85.0° |
| C17 | N16 | C15 | C14 | 179.4° | 179.7° |
| C17 | N16 | C15 | H1 | 0.6° | 0.3° |
| N16 | C17 | H2 | H3 | 121.0° | 120.0° |
| C15 | N16 | C17 | C18 | 78.0° | 90.9° |
| N16 | C15 | C14 | H1 | 180.0° | 180.0° |
| C15 | N16 | C17 | H2 | 162.3° | 149.2° |
| C15 | N16 | C17 | H3 | 41.7° | 29.1° |
| N16 | C15 | C14 | H16 | 179.9° | 179.9° |
| C17 | C18 | N27 | C22 | 179.5° | 180.0° |
| C18 | C17 | H2 | H3 | 120.9° | 120.0° |
| C17 | C18 | C19 | H17 | 0.3° | 0.2° |
| C18 | N27 | C22 | C21 | 0.0° | 0.6° |
| C18 | N27 | C22 | C23 | 180.0° | 179.5° |
| N27 | C18 | C17 | H2 | 170.4° | 35.0° |
| N27 | C18 | C17 | H3 | 49.8° | 155.0° |
| N27 | C18 | C19 | H17 | 179.5° | 179.5° |
| C21 | C22 | N27 | C23 | 180.0° | 179.9° |
| C21 | C22 | C23 | C24 | 49.3° | 180.0° |
| C21 | C22 | C23 | O26 | 168.5° | 60.0° |
| C21 | C22 | C23 | C25 | 71.6° | 60.0° |
| C22 | C21 | C20 | H4 | 179.9° | 180.0° |
| N27 | C22 | C23 | C24 | 130.7° | 0.1° |
| N27 | C22 | C23 | O26 | 11.4° | 120.1° |
| N27 | C22 | C23 | C25 | 108.4° | 119.9° |
| N27 | C22 | C21 | H5 | 179.9° | 180.0° |
| C22 | C23 | C24 | O26 | 118.6° | 120.0° |
| C22 | C23 | C24 | C25 | 120.9° | 120.0° |
| C22 | C23 | O26 | C25 | 120.0° | 120.0° |
| C23 | C22 | C21 | H5 | 0.1° | 0.0° |
| C22 | C23 | C24 | H6 | 180.0° | 60.1° |
| C22 | C23 | C24 | H7 | 60.0° | 180.0° |
| C22 | C23 | C24 | H8 | 60.0° | 60.0° |
| C22 | C23 | C25 | H18 | 180.0° | 60.1° |
| C22 | C23 | C25 | H19 | 60.0° | 180.0° |
| C22 | C23 | C25 | H20 | 60.0° | 60.0° |
| C22 | C23 | O26 | H24 | 180.0° | 180.0° |
| C24 | C23 | O26 | C25 | 120.6° | 120.1° |
| C23 | C24 | H6 | H7 | 120.0° | 120.0° |
| C23 | C24 | H6 | H8 | 120.0° | 120.1° |
| C23 | C24 | H7 | H8 | 120.0° | 120.0° |
| C24 | C23 | C25 | H18 | 59.4° | 180.0° |
| C24 | C23 | C25 | H19 | 60.6° | 60.0° |
| C24 | C23 | C25 | H20 | 179.3° | 59.9° |
| C24 | C23 | O26 | H24 | 60.6° | 60.0° |
| O26 | C23 | C24 | H6 | 61.4° | 180.0° |
| O26 | C23 | C24 | H7 | 58.6° | 60.0° |
| O26 | C23 | C24 | H8 | 178.6° | 60.0° |
| O26 | C23 | C25 | H18 | 61.0° | 59.9° |
| O26 | C23 | C25 | H19 | 179.1° | 60.0° |
| O26 | C23 | C25 | H20 | 59.0° | 180.0° |
| C25 | C23 | C24 | H6 | 59.1° | 59.9° |
| C25 | C23 | C24 | H7 | 179.1° | 60.0° |
| C25 | C23 | C24 | H8 | 60.9° | 180.0° |
| C23 | C25 | H18 | H19 | 120.0° | 119.9° |
| C23 | C25 | H18 | H20 | 120.0° | 120.1° |
| C23 | C25 | H19 | H20 | 120.0° | 120.0° |
| C25 | C23 | O26 | H24 | 60.0° | 60.0° |
| H1 | C15 | C14 | H16 | 0.1° | 0.0° |
| H4 | C20 | C21 | H5 | 0.1° | 0.0° |
| H4 | C20 | C19 | H17 | 0.4° | 0.3° |
| H6 | C24 | H7 | H8 | 120.0° | 120.0° |
| H9 | C01 | H10 | H11 | 120.0° | 119.9° |
| H12 | C06 | C07 | H13 | 0.0° | 0.0° |
| H13 | C07 | C08 | H14 | 0.2° | 0.0° |
| H18 | C25 | H19 | H20 | 120.0° | 120.0° |
