VW6
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C01 | N02 | sing | 1.47Å | 1.46Å | |
| N02 | C03 | sing | 1.40Å | 1.47Å | |
| C03 | C04 | doub | 1.39Å | 1.38Å | Aromatic |
| C03 | C26 | sing | 1.39Å | 1.40Å | Aromatic |
| C04 | C05 | sing | 1.38Å | 1.40Å | Aromatic |
| C26 | C25 | doub | 1.38Å | 1.40Å | Aromatic |
| C05 | C06 | doub | 1.38Å | 1.39Å | Aromatic |
| C25 | C06 | sing | 1.38Å | 1.39Å | Aromatic |
| C06 | C07 | sing | 1.51Å | 1.56Å | |
| C07 | C08 | sing | 1.53Å | 1.34Å | |
| C08 | C09 | sing | 1.51Å | 1.56Å | |
| C09 | C24 | doub | 1.38Å | 1.39Å | Aromatic |
| C09 | C10 | sing | 1.39Å | 1.39Å | Aromatic |
| C24 | N23 | sing | 1.32Å | 1.34Å | Aromatic |
| C10 | C11 | doub | 1.38Å | 1.40Å | Aromatic |
| N23 | C12 | doub | 1.32Å | 1.31Å | Aromatic |
| C11 | C12 | sing | 1.39Å | 1.39Å | Aromatic |
| C12 | O13 | sing | 1.36Å | 1.42Å | |
| O13 | C14 | sing | 1.43Å | 1.42Å | |
| C14 | C15 | sing | 1.53Å | 1.55Å | |
| C15 | O16 | sing | 1.43Å | 1.41Å | |
| O16 | C17 | sing | 1.43Å | 1.42Å | |
| C17 | C18 | sing | 1.53Å | 1.57Å | |
| C18 | O19 | sing | 1.43Å | 1.42Å | |
| O19 | C20 | sing | 1.43Å | 1.41Å | |
| C20 | C21 | sing | 1.53Å | 1.54Å | |
| C21 | F22 | sing | 1.40Å | 1.37Å | |
| C11 | H1 | sing | 1.08Å | 1.08Å | |
| C14 | H2 | sing | 1.09Å | 1.10Å | |
| C14 | H3 | sing | 1.09Å | 1.10Å | |
| C15 | H4 | sing | 1.09Å | 1.10Å | |
| C15 | H5 | sing | 1.09Å | 1.10Å | |
| C10 | H6 | sing | 1.08Å | 1.08Å | |
| C17 | H7 | sing | 1.09Å | 1.10Å | |
| C17 | 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 | |
| C04 | H12 | sing | 1.08Å | 1.08Å | |
| C05 | H13 | sing | 1.08Å | 1.08Å | |
| C07 | H14 | sing | 1.09Å | 1.10Å | |
| C07 | H15 | sing | 1.09Å | 1.10Å | |
| C08 | H16 | sing | 1.09Å | 1.10Å | |
| C08 | H17 | sing | 1.09Å | 1.10Å | |
| C18 | H18 | sing | 1.09Å | 1.10Å | |
| C18 | H19 | sing | 1.09Å | 1.10Å | |
| C20 | H20 | sing | 1.09Å | 1.10Å | |
| C20 | H21 | sing | 1.09Å | 1.10Å | |
| C21 | H22 | sing | 1.09Å | 1.10Å | |
| C21 | H23 | sing | 1.09Å | 1.10Å | |
| C24 | H24 | sing | 1.08Å | 1.08Å | |
| C25 | H25 | sing | 1.08Å | 1.08Å | |
| C26 | H26 | sing | 1.08Å | 1.08Å | |
| N02 | H27 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C01 | N02 | C03 | 120.0° | 120.0° |
| N02 | C01 | H9 | 109.5° | 109.5° |
| N02 | C01 | H10 | 109.5° | 109.4° |
| N02 | C01 | H11 | 109.5° | 109.4° |
| C01 | N02 | H27 | 106.8° | 119.9° |
| N02 | C03 | C04 | 119.7° | 120.1° |
| N02 | C03 | C26 | 120.7° | 120.1° |
| C03 | N02 | H27 | 106.8° | 120.0° |
| C04 | C03 | C26 | 119.6° | 119.8° |
| C03 | C04 | C05 | 120.2° | 119.9° |
| C03 | C04 | H12 | 119.9° | 120.0° |
| C03 | C26 | C25 | 120.3° | 119.9° |
| C03 | C26 | H26 | 119.9° | 120.0° |
| C04 | C05 | C06 | 120.3° | 120.1° |
| C05 | C04 | H12 | 119.9° | 120.1° |
| C04 | C05 | H13 | 119.8° | 120.0° |
| C26 | C25 | C06 | 120.0° | 120.1° |
| C26 | C25 | H25 | 120.0° | 120.0° |
| C25 | C26 | H26 | 119.9° | 120.0° |
| C05 | C06 | C25 | 119.6° | 120.2° |
| C05 | C06 | C07 | 119.6° | 119.9° |
| C06 | C05 | H13 | 119.9° | 119.9° |
| C25 | C06 | C07 | 120.8° | 119.9° |
| C06 | C25 | H25 | 120.0° | 119.9° |
| C06 | C07 | C08 | 113.2° | 109.5° |
| C06 | C07 | H14 | 108.6° | 109.4° |
| C06 | C07 | H15 | 108.5° | 109.5° |
| C07 | C08 | C09 | 112.3° | 109.5° |
| C08 | C07 | H14 | 108.5° | 109.5° |
| C08 | C07 | H15 | 108.5° | 109.5° |
| C07 | C08 | H16 | 108.8° | 109.5° |
| C07 | C08 | H17 | 108.8° | 109.5° |
| C08 | C09 | C24 | 119.6° | 120.4° |
| C08 | C09 | C10 | 120.7° | 120.4° |
| C09 | C08 | H16 | 108.7° | 109.5° |
| C09 | C08 | H17 | 108.7° | 109.5° |
| C24 | C09 | C10 | 119.7° | 119.3° |
| C09 | C24 | N23 | 119.8° | 120.9° |
| C09 | C24 | H24 | 120.1° | 119.6° |
| C09 | C10 | C11 | 118.1° | 118.5° |
| C09 | C10 | H6 | 121.0° | 120.7° |
| C24 | N23 | C12 | 122.8° | 121.6° |
| N23 | C24 | H24 | 120.1° | 119.5° |
| C10 | C11 | C12 | 119.4° | 119.1° |
| C10 | C11 | H1 | 120.3° | 120.5° |
| C11 | C10 | H6 | 121.0° | 120.7° |
| N23 | C12 | C11 | 120.2° | 120.7° |
| N23 | C12 | O13 | 118.6° | 119.6° |
| C11 | C12 | O13 | 121.2° | 119.7° |
| C12 | C11 | H1 | 120.3° | 120.5° |
| C12 | O13 | C14 | 117.4° | 117.0° |
| O13 | C14 | C15 | 105.3° | 109.4° |
| O13 | C14 | H2 | 110.5° | 109.5° |
| O13 | C14 | H3 | 110.5° | 109.5° |
| C14 | C15 | O16 | 111.2° | 109.5° |
| C15 | C14 | H2 | 110.5° | 109.5° |
| C15 | C14 | H3 | 110.5° | 109.5° |
| C14 | C15 | H4 | 109.1° | 109.4° |
| C14 | C15 | H5 | 109.1° | 109.5° |
| C15 | O16 | C17 | 111.7° | 114.0° |
| O16 | C15 | H4 | 109.1° | 109.5° |
| O16 | C15 | H5 | 109.1° | 109.4° |
| O16 | C17 | C18 | 110.6° | 109.4° |
| O16 | C17 | H7 | 109.2° | 109.5° |
| O16 | C17 | H8 | 109.2° | 109.5° |
| C17 | C18 | O19 | 107.3° | 109.5° |
| C18 | C17 | H7 | 109.2° | 109.5° |
| C18 | C17 | H8 | 109.2° | 109.4° |
| C17 | C18 | H18 | 110.0° | 109.5° |
| C17 | C18 | H19 | 110.0° | 109.5° |
| C18 | O19 | C20 | 114.1° | 114.0° |
| O19 | C18 | H18 | 110.0° | 109.5° |
| O19 | C18 | H19 | 110.0° | 109.4° |
| O19 | C20 | C21 | 108.5° | 109.5° |
| O19 | C20 | H20 | 109.7° | 109.5° |
| O19 | C20 | H21 | 109.7° | 109.5° |
| C20 | C21 | F22 | 110.0° | 109.5° |
| C21 | C20 | H20 | 109.7° | 109.5° |
| C21 | C20 | H21 | 109.7° | 109.5° |
| C20 | C21 | H22 | 109.3° | 109.5° |
| C20 | C21 | H23 | 109.3° | 109.5° |
| F22 | C21 | H22 | 109.3° | 109.5° |
| F22 | C21 | H23 | 109.3° | 109.5° |
| H2 | C14 | H3 | 109.5° | 109.5° |
| H4 | C15 | H5 | 109.4° | 109.4° |
| H7 | C17 | H8 | 109.4° | 109.5° |
| H9 | C01 | H10 | 109.4° | 109.5° |
| H9 | C01 | H11 | 109.5° | 109.5° |
| H10 | C01 | H11 | 109.4° | 109.5° |
| H14 | C07 | H15 | 109.5° | 109.4° |
| H16 | C08 | H17 | 109.5° | 109.4° |
| H18 | C18 | H19 | 109.5° | 109.5° |
| H20 | C20 | H21 | 109.5° | 109.4° |
| H22 | C21 | H23 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C01 | N02 | C03 | H27 | 121.5° | 179.9° |
| C01 | N02 | C03 | C04 | 1.1° | 180.0° |
| C01 | N02 | C03 | C26 | 178.7° | 0.3° |
| N02 | C01 | H9 | H10 | 120.0° | 120.0° |
| N02 | C01 | H9 | H11 | 120.0° | 120.0° |
| N02 | C01 | H10 | H11 | 120.0° | 120.0° |
| N02 | C03 | C04 | C26 | 179.8° | 179.7° |
| N02 | C03 | C04 | C05 | 179.9° | 179.8° |
| N02 | C03 | C26 | C25 | 179.9° | 179.8° |
| C03 | N02 | C01 | H9 | 180.0° | 180.0° |
| C03 | N02 | C01 | H10 | 60.0° | 60.0° |
| C03 | N02 | C01 | H11 | 60.0° | 60.0° |
| N02 | C03 | C04 | H12 | 0.1° | 0.3° |
| N02 | C03 | C26 | H26 | 0.1° | 0.3° |
| C03 | C04 | C05 | H12 | 180.0° | 179.9° |
| C04 | C03 | C26 | C25 | 0.3° | 0.0° |
| C03 | C04 | C05 | C06 | 0.2° | 0.0° |
| C03 | C04 | C05 | H13 | 179.8° | 180.0° |
| C04 | C03 | C26 | H26 | 179.7° | 180.0° |
| C04 | C03 | N02 | H27 | 122.6° | 0.0° |
| C26 | C03 | C04 | C05 | 0.3° | 0.0° |
| C03 | C26 | C25 | H26 | 180.0° | 180.0° |
| C03 | C26 | C25 | C06 | 0.1° | 0.0° |
| C26 | C03 | C04 | H12 | 179.7° | 180.0° |
| C03 | C26 | C25 | H25 | 179.9° | 179.9° |
| C26 | C03 | N02 | H27 | 57.2° | 179.7° |
| C04 | C05 | C06 | H13 | 180.0° | 179.9° |
| C04 | C05 | C06 | C25 | 0.0° | 0.0° |
| C04 | C05 | C06 | C07 | 180.0° | 179.9° |
| C26 | C25 | C06 | C05 | 0.0° | 0.0° |
| C26 | C25 | C06 | H25 | 180.0° | 180.0° |
| C26 | C25 | C06 | C07 | 180.0° | 179.9° |
| C05 | C06 | C25 | C07 | 180.0° | 179.9° |
| C05 | C06 | C07 | C08 | 176.1° | 90.0° |
| C06 | C05 | C04 | H12 | 179.8° | 179.9° |
| C05 | C06 | C07 | H14 | 55.6° | 150.0° |
| C05 | C06 | C07 | H15 | 63.3° | 30.1° |
| C05 | C06 | C25 | H25 | 180.0° | 180.0° |
| C25 | C06 | C07 | C08 | 3.9° | 89.9° |
| C25 | C06 | C05 | H13 | 180.0° | 180.0° |
| C25 | C06 | C07 | H14 | 124.4° | 30.1° |
| C25 | C06 | C07 | H15 | 116.7° | 150.0° |
| C06 | C25 | C26 | H26 | 179.9° | 180.0° |
| C06 | C07 | C08 | H14 | 120.6° | 120.0° |
| C06 | C07 | C08 | H15 | 120.5° | 120.0° |
| C06 | C07 | C08 | C09 | 179.7° | 180.0° |
| C07 | C06 | C05 | H13 | 0.0° | 0.1° |
| C06 | C07 | H14 | H15 | 118.3° | 120.0° |
| C06 | C07 | C08 | H16 | 59.9° | 60.0° |
| C06 | C07 | C08 | H17 | 59.3° | 60.0° |
| C07 | C06 | C25 | H25 | 0.0° | 0.1° |
| C07 | C08 | C09 | H16 | 120.4° | 120.0° |
| C07 | C08 | C09 | H17 | 120.4° | 120.0° |
| C07 | C08 | C09 | C24 | 6.1° | 90.0° |
| C07 | C08 | C09 | C10 | 174.4° | 90.0° |
| C08 | C07 | H14 | H15 | 118.3° | 120.0° |
| C07 | C08 | H16 | H17 | 118.7° | 120.0° |
| C08 | C09 | C24 | C10 | 179.6° | 179.9° |
| C08 | C09 | C24 | N23 | 179.8° | 179.7° |
| C08 | C09 | C10 | C11 | 179.8° | 180.0° |
| C08 | C09 | C10 | H6 | 0.3° | 0.1° |
| C09 | C08 | C07 | H14 | 59.1° | 60.0° |
| C09 | C08 | C07 | H15 | 59.7° | 60.0° |
| C09 | C08 | H16 | H17 | 118.7° | 120.0° |
| C08 | C09 | C24 | H24 | 0.2° | 0.0° |
| C09 | C24 | N23 | H24 | 180.0° | 179.8° |
| C24 | C09 | C10 | C11 | 0.2° | 0.0° |
| C09 | C24 | N23 | C12 | 0.1° | 0.5° |
| C24 | C09 | C10 | H6 | 179.9° | 180.0° |
| C24 | C09 | C08 | H16 | 126.5° | 30.0° |
| C24 | C09 | C08 | H17 | 114.4° | 149.9° |
| C10 | C09 | C24 | N23 | 0.2° | 0.2° |
| C09 | C10 | C11 | H6 | 180.0° | 179.9° |
| C09 | C10 | C11 | C12 | 0.0° | 0.0° |
| C09 | C10 | C11 | H1 | 180.0° | 180.0° |
| C10 | C09 | C08 | H16 | 53.9° | 149.9° |
| C10 | C09 | C08 | H17 | 65.2° | 30.0° |
| C10 | C09 | C24 | H24 | 179.8° | 180.0° |
| C24 | N23 | C12 | C11 | 0.1° | 0.5° |
| C24 | N23 | C12 | O13 | 179.9° | 179.8° |
| C10 | C11 | C12 | N23 | 0.1° | 0.3° |
| C10 | C11 | C12 | H1 | 180.0° | 180.0° |
| C10 | C11 | C12 | O13 | 179.9° | 180.0° |
| N23 | C12 | C11 | O13 | 180.0° | 179.7° |
| N23 | C12 | O13 | C14 | 170.9° | 0.3° |
| N23 | C12 | C11 | H1 | 179.9° | 179.7° |
| C12 | N23 | C24 | H24 | 179.9° | 179.7° |
| C11 | C12 | O13 | C14 | 9.2° | 180.0° |
| C12 | C11 | C10 | H6 | 180.0° | 180.0° |
| C12 | O13 | C14 | C15 | 168.1° | 179.9° |
| O13 | C12 | C11 | H1 | 0.1° | 0.0° |
| C12 | O13 | C14 | H2 | 48.8° | 60.0° |
| C12 | O13 | C14 | H3 | 72.5° | 60.0° |
| O13 | C14 | C15 | H2 | 119.3° | 120.0° |
| O13 | C14 | C15 | H3 | 119.3° | 120.0° |
| O13 | C14 | C15 | O16 | 160.1° | 65.0° |
| O13 | C14 | H2 | H3 | 121.9° | 120.0° |
| O13 | C14 | C15 | H4 | 39.9° | 175.0° |
| O13 | C14 | C15 | H5 | 79.6° | 55.0° |
| C14 | C15 | O16 | H4 | 120.3° | 120.0° |
| C14 | C15 | O16 | H5 | 120.3° | 120.1° |
| C14 | C15 | O16 | C17 | 168.0° | 180.0° |
| C15 | C14 | H2 | H3 | 121.9° | 120.0° |
| C14 | C15 | H4 | H5 | 119.2° | 120.0° |
| C15 | O16 | C17 | C18 | 146.8° | 180.0° |
| O16 | C15 | C14 | H2 | 80.5° | 175.0° |
| O16 | C15 | C14 | H3 | 40.8° | 55.0° |
| O16 | C15 | H4 | H5 | 119.2° | 119.9° |
| C15 | O16 | C17 | H7 | 93.0° | 60.0° |
| C15 | O16 | C17 | H8 | 26.6° | 60.0° |
| O16 | C17 | C18 | H7 | 120.2° | 120.0° |
| O16 | C17 | C18 | H8 | 120.2° | 120.0° |
| O16 | C17 | C18 | O19 | 162.0° | 65.0° |
| C17 | O16 | C15 | H4 | 47.7° | 60.0° |
| C17 | O16 | C15 | H5 | 71.8° | 59.9° |
| O16 | C17 | H7 | H8 | 119.5° | 120.0° |
| O16 | C17 | C18 | H18 | 78.3° | 175.0° |
| O16 | C17 | C18 | H19 | 42.4° | 55.0° |
| C17 | C18 | O19 | H18 | 119.7° | 120.0° |
| C17 | C18 | O19 | H19 | 119.6° | 120.0° |
| C17 | C18 | O19 | C20 | 174.9° | 180.0° |
| C18 | C17 | H7 | H8 | 119.5° | 120.0° |
| C17 | C18 | H18 | H19 | 121.0° | 120.0° |
| C18 | O19 | C20 | C21 | 160.1° | 180.0° |
| O19 | C18 | C17 | H7 | 41.8° | 175.0° |
| O19 | C18 | C17 | H8 | 77.8° | 55.0° |
| O19 | C18 | H18 | H19 | 121.0° | 120.0° |
| C18 | O19 | C20 | H20 | 40.3° | 60.0° |
| C18 | O19 | C20 | H21 | 80.0° | 60.0° |
| O19 | C20 | C21 | H20 | 119.8° | 120.0° |
| O19 | C20 | C21 | H21 | 119.9° | 120.0° |
| O19 | C20 | C21 | F22 | 172.6° | 65.0° |
| C20 | O19 | C18 | H18 | 65.4° | 60.0° |
| C20 | O19 | C18 | H19 | 55.2° | 60.0° |
| O19 | C20 | H20 | H21 | 120.5° | 120.0° |
| O19 | C20 | C21 | H22 | 67.4° | 175.0° |
| O19 | C20 | C21 | H23 | 52.5° | 55.0° |
| C20 | C21 | F22 | H22 | 120.1° | 120.0° |
| C20 | C21 | F22 | H23 | 120.1° | 120.0° |
| C21 | C20 | H20 | H21 | 120.4° | 120.0° |
| C20 | C21 | H22 | H23 | 119.7° | 120.0° |
| F22 | C21 | C20 | H20 | 52.7° | 175.0° |
| F22 | C21 | C20 | H21 | 67.6° | 55.0° |
| F22 | C21 | H22 | H23 | 119.8° | 120.0° |
| H1 | C11 | C10 | H6 | 0.0° | 0.0° |
| H2 | C14 | C15 | H4 | 159.2° | 55.0° |
| H2 | C14 | C15 | H5 | 39.7° | 65.0° |
| H3 | C14 | C15 | H4 | 79.5° | 65.0° |
| H3 | C14 | C15 | H5 | 161.1° | 175.0° |
| H7 | C17 | C18 | H18 | 161.5° | 55.0° |
| H7 | C17 | C18 | H19 | 77.8° | 65.0° |
| H8 | C17 | C18 | H18 | 41.9° | 65.0° |
| H8 | C17 | C18 | H19 | 162.6° | 175.0° |
| H9 | C01 | H10 | H11 | 120.0° | 120.0° |
| H9 | C01 | N02 | H27 | 58.5° | 0.0° |
| H10 | C01 | N02 | H27 | 61.5° | 120.0° |
| H11 | C01 | N02 | H27 | 178.5° | 120.0° |
| H12 | C04 | C05 | H13 | 0.2° | 0.0° |
| H14 | C07 | C08 | H16 | 179.5° | 180.0° |
| H14 | C07 | C08 | H17 | 61.3° | 60.0° |
| H15 | C07 | C08 | H16 | 60.7° | 60.1° |
| H15 | C07 | C08 | H17 | 179.9° | NaN° |
| H20 | C20 | C21 | H22 | 172.8° | 55.0° |
| H20 | C20 | C21 | H23 | 67.4° | 65.0° |
| H21 | C20 | C21 | H22 | 52.5° | 65.0° |
| H21 | C20 | C21 | H23 | 172.3° | 175.0° |
| H25 | C25 | C26 | H26 | 0.1° | 0.0° |
