VFY
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C04 | O03 | sing | 1.43Å | 1.40Å | |
| O03 | C02 | sing | 1.35Å | 1.40Å | |
| F24 | C22 | sing | 1.40Å | 1.36Å | |
| F25 | C22 | sing | 1.40Å | 1.36Å | |
| C20 | C19 | doub | 1.38Å | 1.38Å | Aromatic |
| C20 | C21 | sing | 1.38Å | 1.38Å | Aromatic |
| C22 | C21 | sing | 1.51Å | 1.53Å | |
| C22 | F23 | sing | 1.40Å | 1.36Å | |
| C02 | O01 | doub | 1.22Å | 1.18Å | |
| C02 | C05 | sing | 1.41Å | 1.53Å | |
| C19 | C18 | sing | 1.38Å | 1.38Å | Aromatic |
| C21 | C16 | doub | 1.38Å | 1.39Å | Aromatic |
| C18 | C17 | doub | 1.38Å | 1.39Å | Aromatic |
| C16 | C17 | sing | 1.38Å | 1.38Å | Aromatic |
| C16 | C15 | sing | 1.51Å | 1.54Å | |
| C05 | C15 | sing | 1.50Å | 1.54Å | |
| C05 | C06 | doub | 1.35Å | 1.53Å | |
| C15 | C11 | sing | 1.50Å | 1.53Å | |
| C07 | C06 | sing | 1.51Å | 1.53Å | |
| C06 | N08 | sing | 1.37Å | 1.45Å | |
| O13 | N12 | sing | 1.22Å | 1.40Å | |
| C11 | N12 | sing | 1.48Å | 1.45Å | |
| C11 | C09 | doub | 1.31Å | 1.52Å | |
| N08 | C09 | sing | 1.39Å | 1.44Å | |
| N12 | O14 | doub | 1.22Å | 1.17Å | |
| C09 | C10 | sing | 1.51Å | 1.53Å | |
| C10 | H1 | sing | 1.09Å | 1.10Å | |
| C10 | H2 | sing | 1.09Å | 1.10Å | |
| C10 | H3 | sing | 1.09Å | 1.10Å | |
| C15 | H4 | sing | 1.09Å | 1.10Å | |
| C17 | H5 | sing | 1.08Å | 1.08Å | |
| C20 | H6 | sing | 1.08Å | 1.08Å | |
| C04 | H7 | sing | 1.09Å | 1.10Å | |
| C04 | H8 | sing | 1.09Å | 1.10Å | |
| C04 | H9 | sing | 1.09Å | 1.10Å | |
| C07 | H12 | sing | 1.09Å | 1.10Å | |
| C07 | H13 | sing | 1.09Å | 1.10Å | |
| C07 | H14 | sing | 1.09Å | 1.10Å | |
| C18 | H17 | sing | 1.08Å | 1.08Å | |
| C19 | H18 | sing | 1.08Å | 1.08Å | |
| N08 | H19 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C04 | O03 | C02 | 113.6° | 117.0° |
| O03 | C04 | H7 | 109.5° | 109.5° |
| O03 | C04 | H8 | 109.4° | 109.4° |
| O03 | C04 | H9 | 109.4° | 109.5° |
| O03 | C02 | O01 | 120.0° | 120.0° |
| O03 | C02 | C05 | 120.1° | 120.0° |
| F24 | C22 | F25 | 109.3° | 109.4° |
| F24 | C22 | C21 | 109.2° | 109.5° |
| F24 | C22 | F23 | 109.7° | 109.5° |
| F25 | C22 | C21 | 109.9° | 109.4° |
| F25 | C22 | F23 | 109.4° | 109.5° |
| C19 | C20 | C21 | 119.9° | 120.0° |
| C20 | C19 | C18 | 119.9° | 120.0° |
| C19 | C20 | H6 | 120.0° | 120.0° |
| C20 | C19 | H18 | 120.0° | 120.0° |
| C20 | C21 | C22 | 120.0° | 119.9° |
| C20 | C21 | C16 | 120.1° | 120.0° |
| C21 | C20 | H6 | 120.0° | 120.0° |
| C21 | C22 | F23 | 109.4° | 109.5° |
| C22 | C21 | C16 | 119.9° | 120.1° |
| O01 | C02 | C05 | 119.9° | 120.0° |
| C02 | C05 | C15 | 118.2° | 119.4° |
| C02 | C05 | C06 | 119.6° | 119.3° |
| C19 | C18 | C17 | 120.2° | 120.0° |
| C19 | C18 | H17 | 119.9° | 120.0° |
| C18 | C19 | H18 | 120.1° | 120.0° |
| C21 | C16 | C17 | 120.0° | 120.0° |
| C21 | C16 | C15 | 119.6° | 120.0° |
| C18 | C17 | C16 | 119.9° | 120.0° |
| C18 | C17 | H5 | 120.1° | 120.0° |
| C17 | C18 | H17 | 119.9° | 120.0° |
| C17 | C16 | C15 | 120.4° | 120.0° |
| C16 | C17 | H5 | 120.0° | 120.0° |
| C16 | C15 | C05 | 108.6° | 109.1° |
| C16 | C15 | C11 | 109.5° | 109.2° |
| C16 | C15 | H4 | 108.3° | 109.3° |
| C15 | C05 | C06 | 118.6° | 121.3° |
| C05 | C15 | C11 | 113.5° | 110.9° |
| C05 | C15 | H4 | 108.3° | 109.2° |
| C05 | C06 | C07 | 119.3° | 119.8° |
| C05 | C06 | N08 | 118.0° | 120.4° |
| C15 | C11 | N12 | 118.1° | 119.1° |
| C15 | C11 | C09 | 120.1° | 121.8° |
| C11 | C15 | H4 | 108.4° | 109.1° |
| C07 | C06 | N08 | 119.3° | 119.8° |
| C06 | C07 | H12 | 109.5° | 109.5° |
| C06 | C07 | H13 | 109.4° | 109.4° |
| C06 | C07 | H14 | 109.5° | 109.5° |
| C06 | N08 | C09 | 119.5° | 120.0° |
| C06 | N08 | H19 | 120.2° | 120.0° |
| O13 | N12 | C11 | 119.6° | 120.0° |
| O13 | N12 | O14 | 120.0° | 120.0° |
| N12 | C11 | C09 | 119.3° | 119.1° |
| C11 | N12 | O14 | 120.3° | 120.0° |
| C11 | C09 | N08 | 120.4° | 121.0° |
| C11 | C09 | C10 | 119.8° | 119.5° |
| N08 | C09 | C10 | 119.8° | 119.5° |
| C09 | N08 | H19 | 120.3° | 119.9° |
| C09 | C10 | H1 | 109.5° | 109.4° |
| C09 | C10 | H2 | 109.5° | 109.5° |
| C09 | C10 | H3 | 109.5° | 109.5° |
| H1 | C10 | H2 | 109.4° | 109.5° |
| H1 | C10 | H3 | 109.5° | 109.5° |
| H2 | C10 | H3 | 109.5° | 109.5° |
| H7 | C04 | H8 | 109.5° | 109.5° |
| H7 | C04 | H9 | 109.5° | 109.4° |
| H8 | C04 | H9 | 109.5° | 109.4° |
| H12 | C07 | H13 | 109.4° | 109.5° |
| H12 | C07 | H14 | 109.5° | 109.5° |
| H13 | C07 | H14 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C04 | O03 | C02 | O01 | 61.7° | 0.1° |
| C04 | O03 | C02 | C05 | 117.8° | 180.0° |
| O03 | C04 | H7 | H8 | 120.0° | 120.0° |
| O03 | C04 | H7 | H9 | 120.0° | 120.0° |
| O03 | C04 | H8 | H9 | 120.0° | 120.0° |
| O03 | C02 | O01 | C05 | 179.5° | 179.9° |
| O03 | C02 | C05 | C15 | 87.6° | 102.9° |
| O03 | C02 | C05 | C06 | 114.1° | 77.1° |
| C02 | O03 | C04 | H7 | 180.0° | 60.0° |
| C02 | O03 | C04 | H8 | 60.0° | 60.1° |
| C02 | O03 | C04 | H9 | 60.0° | 180.0° |
| F24 | C22 | F25 | C21 | 119.8° | 119.9° |
| F24 | C22 | F25 | F23 | 120.1° | 120.0° |
| F24 | C22 | C21 | C20 | 15.0° | 119.3° |
| F24 | C22 | C21 | F23 | 120.1° | 120.0° |
| F24 | C22 | C21 | C16 | 165.2° | 60.4° |
| F25 | C22 | C21 | C20 | 134.9° | 120.8° |
| F25 | C22 | C21 | F23 | 120.1° | 120.0° |
| F25 | C22 | C21 | C16 | 45.3° | 59.5° |
| C19 | C20 | C21 | H6 | 180.0° | 179.7° |
| C19 | C20 | C21 | C22 | 179.9° | 180.0° |
| C20 | C19 | C18 | H18 | 180.0° | 179.7° |
| C19 | C20 | C21 | C16 | 0.1° | 0.3° |
| C20 | C19 | C18 | C17 | 0.1° | 0.1° |
| C20 | C19 | C18 | H17 | 180.0° | 180.0° |
| C20 | C21 | C22 | C16 | 179.9° | 179.7° |
| C20 | C21 | C22 | F23 | 105.1° | 0.7° |
| C21 | C20 | C19 | C18 | 0.0° | 0.3° |
| C20 | C21 | C16 | C17 | 0.1° | 0.0° |
| C20 | C21 | C16 | C15 | 179.9° | 180.0° |
| C21 | C20 | C19 | H18 | 180.0° | 180.0° |
| C22 | C21 | C16 | C17 | 180.0° | 179.7° |
| C22 | C21 | C16 | C15 | 0.2° | 0.3° |
| C22 | C21 | C20 | H6 | 0.1° | 0.3° |
| F23 | C22 | C21 | C16 | 74.8° | 179.6° |
| O01 | C02 | C05 | C15 | 91.9° | 77.1° |
| O01 | C02 | C05 | C06 | 66.4° | 102.9° |
| C02 | C05 | C15 | C16 | 107.6° | 75.8° |
| C02 | C05 | C15 | C06 | 158.5° | 180.0° |
| C02 | C05 | C15 | C11 | 130.3° | 163.8° |
| C02 | C05 | C06 | C07 | 76.3° | 0.4° |
| C02 | C05 | C06 | N08 | 124.9° | 179.5° |
| C02 | C05 | C15 | H4 | 9.8° | 43.5° |
| C19 | C18 | C17 | H17 | 180.0° | 179.9° |
| C19 | C18 | C17 | C16 | 0.0° | 0.2° |
| C19 | C18 | C17 | H5 | 180.0° | 180.0° |
| C18 | C19 | C20 | H6 | 180.0° | 180.0° |
| C21 | C16 | C17 | C18 | 0.1° | 0.3° |
| C21 | C16 | C17 | C15 | 179.8° | 180.0° |
| C21 | C16 | C15 | C05 | 120.5° | 118.9° |
| C21 | C16 | C15 | C11 | 115.0° | 119.7° |
| C21 | C16 | C15 | H4 | 3.0° | 0.4° |
| C21 | C16 | C17 | H5 | 179.9° | 180.0° |
| C16 | C21 | C20 | H6 | 179.9° | 180.0° |
| C18 | C17 | C16 | H5 | 180.0° | 179.7° |
| C18 | C17 | C16 | C15 | 179.9° | 179.8° |
| C17 | C18 | C19 | H18 | 179.9° | 179.7° |
| C17 | C16 | C15 | C05 | 59.3° | 61.1° |
| C17 | C16 | C15 | C11 | 65.2° | 60.3° |
| C17 | C16 | C15 | H4 | 176.8° | 179.6° |
| C16 | C17 | C18 | H17 | 180.0° | 179.7° |
| C16 | C15 | C05 | C11 | 122.1° | 120.4° |
| C16 | C15 | C05 | H4 | 117.5° | 119.4° |
| C16 | C15 | C05 | C06 | 93.8° | 104.2° |
| C16 | C15 | C11 | H4 | 118.0° | 119.4° |
| C16 | C15 | C11 | N12 | 96.4° | 75.8° |
| C16 | C15 | C11 | C09 | 101.7° | 104.2° |
| C15 | C16 | C17 | H5 | 0.1° | 0.0° |
| C05 | C15 | C11 | H4 | 120.4° | 120.3° |
| C15 | C05 | C06 | C07 | 125.5° | 179.6° |
| C15 | C05 | C06 | N08 | 33.3° | 0.5° |
| C05 | C15 | C11 | N12 | 142.0° | 163.9° |
| C05 | C15 | C11 | C09 | 19.9° | 16.2° |
| C06 | C05 | C15 | C11 | 28.2° | 16.2° |
| C05 | C06 | C07 | N08 | 158.5° | 180.0° |
| C05 | C06 | N08 | C09 | 28.2° | 17.6° |
| C06 | C05 | C15 | H4 | 148.7° | 136.5° |
| C05 | C06 | C07 | H12 | 180.0° | 93.2° |
| C05 | C06 | C07 | H13 | 60.0° | 146.8° |
| C05 | C06 | C07 | H14 | 60.0° | 26.8° |
| C05 | C06 | N08 | H19 | 151.8° | 162.5° |
| C15 | C11 | N12 | O13 | 3.1° | 94.9° |
| C15 | C11 | N12 | C09 | 162.0° | 180.0° |
| C15 | C11 | C09 | N08 | 16.0° | 0.3° |
| C15 | C11 | N12 | O14 | 176.7° | 85.1° |
| C15 | C11 | C09 | C10 | 167.5° | 179.7° |
| C07 | C06 | N08 | C09 | 130.6° | 162.4° |
| C06 | C07 | H12 | H13 | 120.0° | 120.0° |
| C06 | C07 | H12 | H14 | 120.0° | 120.0° |
| C06 | C07 | H13 | H14 | 120.0° | 119.9° |
| C07 | C06 | N08 | H19 | 49.4° | 17.5° |
| C06 | N08 | C09 | C11 | 19.8° | 17.8° |
| C06 | N08 | C09 | H19 | 180.0° | 180.0° |
| C06 | N08 | C09 | C10 | 163.7° | 162.2° |
| N08 | C06 | C07 | H12 | 21.5° | 86.7° |
| N08 | C06 | C07 | H13 | 98.5° | 33.3° |
| N08 | C06 | C07 | H14 | 141.5° | 153.2° |
| O13 | N12 | C11 | O14 | 179.9° | 180.0° |
| O13 | N12 | C11 | C09 | 165.1° | 85.1° |
| N12 | C11 | C09 | N08 | 145.6° | 179.7° |
| N12 | C11 | C09 | C10 | 30.9° | 0.3° |
| N12 | C11 | C15 | H4 | 21.5° | 43.6° |
| C11 | C09 | N08 | C10 | 176.4° | 180.0° |
| C09 | C11 | N12 | O14 | 14.8° | 94.9° |
| C11 | C09 | C10 | H1 | 180.0° | 86.4° |
| C11 | C09 | C10 | H2 | 60.0° | 153.6° |
| C11 | C09 | C10 | H3 | 60.0° | 33.6° |
| C09 | C11 | C15 | H4 | 140.3° | 136.4° |
| C11 | C09 | N08 | H19 | 160.2° | 162.2° |
| N08 | C09 | C10 | H1 | 3.5° | 93.6° |
| N08 | C09 | C10 | H2 | 116.5° | 26.4° |
| N08 | C09 | C10 | H3 | 123.5° | 146.4° |
| C09 | C10 | H1 | H2 | 120.0° | 120.0° |
| C09 | C10 | H1 | H3 | 120.0° | 120.0° |
| C09 | C10 | H2 | H3 | 120.0° | 120.0° |
| C10 | C09 | N08 | H19 | 16.3° | 17.8° |
| H1 | C10 | H2 | H3 | 120.0° | 120.0° |
| H5 | C17 | C18 | H17 | 0.0° | 0.1° |
| H6 | C20 | C19 | H18 | 0.0° | 0.3° |
| H7 | C04 | H8 | H9 | 120.0° | 120.0° |
| H12 | C07 | H13 | H14 | 120.0° | 120.1° |
| H17 | C18 | C19 | H18 | 0.1° | 0.4° |
