VFU
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C10 | C11 | sing | 1.53Å | 1.40Å | |
| C10 | C09 | sing | 1.53Å | 1.39Å | |
| F18 | C17 | sing | 1.40Å | 1.37Å | |
| C11 | C09 | sing | 1.53Å | 1.39Å | |
| C09 | C08 | sing | 1.51Å | 1.53Å | |
| C17 | F19 | sing | 1.40Å | 1.37Å | |
| C17 | F20 | sing | 1.40Å | 1.37Å | |
| C17 | C16 | sing | 1.51Å | 1.54Å | |
| C21 | C16 | doub | 1.38Å | 1.39Å | Aromatic |
| C21 | C22 | sing | 1.38Å | 1.40Å | Aromatic |
| C16 | C15 | sing | 1.38Å | 1.39Å | Aromatic |
| C08 | C07 | doub | 1.33Å | 1.30Å | |
| C22 | C13 | doub | 1.40Å | 1.40Å | Aromatic |
| C07 | C06 | sing | 1.47Å | 1.55Å | |
| C15 | C14 | doub | 1.38Å | 1.39Å | Aromatic |
| C13 | C14 | sing | 1.39Å | 1.39Å | Aromatic |
| C13 | C12 | sing | 1.48Å | 1.53Å | |
| C06 | C12 | doub | 1.41Å | 1.39Å | Aromatic |
| C06 | C04 | sing | 1.41Å | 1.40Å | Aromatic |
| C12 | N23 | sing | 1.33Å | 1.31Å | Aromatic |
| N05 | C04 | sing | 1.38Å | 1.45Å | |
| C04 | N03 | doub | 1.33Å | 1.33Å | Aromatic |
| N23 | C02 | doub | 1.32Å | 1.32Å | Aromatic |
| N03 | C02 | sing | 1.33Å | 1.33Å | Aromatic |
| C02 | N01 | sing | 1.38Å | 1.46Å | |
| C10 | H1 | sing | 1.09Å | 1.10Å | |
| C10 | H2 | sing | 1.09Å | 1.10Å | |
| C15 | H3 | sing | 1.08Å | 1.08Å | |
| C21 | H4 | sing | 1.08Å | 1.08Å | |
| C22 | H5 | sing | 1.08Å | 1.08Å | |
| C07 | H6 | sing | 1.08Å | 1.08Å | |
| C08 | H7 | sing | 1.08Å | 1.08Å | |
| C09 | H8 | sing | 1.09Å | 1.10Å | |
| C11 | H9 | sing | 1.09Å | 1.10Å | |
| C11 | H10 | sing | 1.09Å | 1.10Å | |
| C14 | H11 | sing | 1.08Å | 1.08Å | |
| N01 | H12 | sing | 0.97Å | 1.00Å | |
| N01 | H13 | sing | 0.97Å | 1.00Å | |
| N05 | H14 | sing | 0.97Å | 1.00Å | |
| N05 | H15 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C11 | C10 | C09 | 59.8° | 60.0° |
| C10 | C11 | C09 | 59.8° | 60.0° |
| C11 | C10 | H1 | 120.0° | 117.5° |
| C11 | C10 | H2 | 120.1° | 117.5° |
| C10 | C11 | H9 | 120.1° | 117.5° |
| C10 | C11 | H10 | 120.0° | 117.5° |
| C10 | C09 | C11 | 60.4° | 60.0° |
| C10 | C09 | C08 | 148.8° | 117.5° |
| C09 | C10 | H1 | 120.0° | 117.5° |
| C09 | C10 | H2 | 120.1° | 117.6° |
| C10 | C09 | H8 | 91.1° | 117.5° |
| F18 | C17 | F19 | 110.5° | 109.5° |
| F18 | C17 | F20 | 110.8° | 109.5° |
| F18 | C17 | C16 | 106.5° | 109.5° |
| C11 | C09 | C08 | 150.6° | 117.5° |
| C11 | C09 | H8 | 91.2° | 117.5° |
| C09 | C11 | H9 | 120.0° | 117.5° |
| C09 | C11 | H10 | 120.0° | 117.5° |
| C09 | C08 | C07 | 117.5° | 120.0° |
| C09 | C08 | H7 | 121.2° | 120.0° |
| C08 | C09 | H8 | 91.1° | 115.5° |
| F19 | C17 | F20 | 108.5° | 109.5° |
| F19 | C17 | C16 | 109.5° | 109.5° |
| F20 | C17 | C16 | 111.1° | 109.4° |
| C17 | C16 | C21 | 120.6° | 119.8° |
| C17 | C16 | C15 | 118.7° | 119.9° |
| C16 | C21 | C22 | 120.0° | 120.1° |
| C21 | C16 | C15 | 120.7° | 120.3° |
| C16 | C21 | H4 | 120.0° | 120.0° |
| C21 | C22 | C13 | 119.0° | 119.8° |
| C22 | C21 | H4 | 120.0° | 119.9° |
| C21 | C22 | H5 | 120.5° | 120.1° |
| C16 | C15 | C14 | 119.5° | 120.1° |
| C16 | C15 | H3 | 120.2° | 119.9° |
| C08 | C07 | C06 | 127.6° | 120.0° |
| C08 | C07 | H6 | 116.2° | 120.0° |
| C07 | C08 | H7 | 121.2° | 120.0° |
| C22 | C13 | C14 | 120.7° | 119.7° |
| C22 | C13 | C12 | 121.7° | 120.1° |
| C13 | C22 | H5 | 120.5° | 120.0° |
| C07 | C06 | C12 | 116.5° | 121.0° |
| C07 | C06 | C04 | 127.0° | 120.9° |
| C06 | C07 | H6 | 116.2° | 120.0° |
| C15 | C14 | C13 | 120.0° | 119.9° |
| C14 | C15 | H3 | 120.2° | 120.0° |
| C15 | C14 | H11 | 120.0° | 120.1° |
| C14 | C13 | C12 | 117.6° | 120.1° |
| C13 | C14 | H11 | 120.0° | 120.1° |
| C13 | C12 | C06 | 118.6° | 120.6° |
| C13 | C12 | N23 | 120.5° | 120.5° |
| C12 | C06 | C04 | 116.5° | 118.1° |
| C06 | C12 | N23 | 120.9° | 118.9° |
| C06 | C04 | N05 | 122.1° | 120.6° |
| C06 | C04 | N03 | 119.7° | 118.9° |
| C12 | N23 | C02 | 120.8° | 121.0° |
| N05 | C04 | N03 | 118.2° | 120.5° |
| C04 | N05 | H14 | 109.5° | 120.0° |
| C04 | N05 | H15 | 109.5° | 120.0° |
| C04 | N03 | C02 | 120.7° | 121.0° |
| N23 | C02 | N03 | 121.4° | 122.1° |
| N23 | C02 | N01 | 118.7° | 119.0° |
| N03 | C02 | N01 | 119.8° | 118.9° |
| C02 | N01 | H12 | 109.5° | 120.1° |
| C02 | N01 | H13 | 109.5° | 120.0° |
| H1 | C10 | H2 | 109.5° | 115.6° |
| H9 | C11 | H10 | 109.5° | 115.6° |
| H12 | N01 | H13 | 109.4° | 120.0° |
| H14 | N05 | H15 | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C11 | C10 | C09 | H1 | 109.4° | 107.5° |
| C11 | C10 | C09 | H2 | 109.4° | 107.5° |
| C10 | C11 | C09 | H9 | 109.4° | 107.5° |
| C10 | C11 | C09 | H10 | 109.4° | 107.5° |
| C11 | C10 | C09 | C08 | 175.4° | 107.5° |
| C11 | C10 | H1 | H2 | 144.9° | 145.7° |
| C11 | C10 | C09 | H8 | 90.7° | 107.5° |
| C10 | C11 | H9 | H10 | 144.9° | 145.7° |
| C10 | C09 | C08 | H8 | 94.0° | 145.6° |
| C10 | C09 | C08 | C07 | 117.2° | 120.0° |
| C09 | C10 | H1 | H2 | 144.9° | 145.7° |
| C10 | C09 | C08 | H7 | 62.8° | 60.0° |
| F18 | C17 | F19 | F20 | 121.7° | 120.0° |
| F18 | C17 | F19 | C16 | 117.0° | 120.0° |
| F18 | C17 | F20 | C16 | 118.1° | 120.0° |
| F18 | C17 | C16 | C21 | 21.8° | 30.0° |
| F18 | C17 | C16 | C15 | 157.0° | 149.3° |
| C11 | C09 | C08 | H8 | 94.2° | 145.7° |
| C11 | C09 | C08 | C07 | 54.7° | 171.4° |
| C11 | C09 | C08 | H7 | 125.4° | 8.6° |
| C09 | C11 | H9 | H10 | 144.8° | 145.7° |
| C09 | C08 | C07 | H7 | 180.0° | 180.0° |
| C09 | C08 | C07 | C06 | 178.8° | 180.0° |
| C08 | C09 | C10 | H1 | 75.2° | 0.0° |
| C08 | C09 | C10 | H2 | 66.0° | 145.0° |
| C09 | C08 | C07 | H6 | 1.2° | 0.0° |
| C08 | C09 | C11 | H9 | 65.7° | 0.0° |
| C08 | C09 | C11 | H10 | 75.5° | 145.0° |
| F19 | C17 | F20 | C16 | 120.4° | 120.0° |
| F19 | C17 | C16 | C21 | 141.4° | 90.0° |
| F19 | C17 | C16 | C15 | 37.5° | 90.7° |
| F20 | C17 | C16 | C21 | 98.9° | 150.0° |
| F20 | C17 | C16 | C15 | 82.2° | 29.3° |
| C17 | C16 | C21 | C15 | 178.9° | 179.3° |
| C17 | C16 | C21 | C22 | 179.8° | 180.0° |
| C17 | C16 | C15 | C14 | 179.9° | 179.7° |
| C17 | C16 | C15 | H3 | 0.1° | 0.3° |
| C17 | C16 | C21 | H4 | 0.3° | 0.7° |
| C16 | C21 | C22 | H4 | 180.0° | 179.2° |
| C16 | C21 | C22 | C13 | 0.3° | 0.5° |
| C21 | C16 | C15 | C14 | 1.2° | 0.5° |
| C21 | C16 | C15 | H3 | 178.8° | 179.5° |
| C16 | C21 | C22 | H5 | 179.7° | 179.5° |
| C22 | C21 | C16 | C15 | 0.9° | 0.7° |
| C21 | C22 | C13 | H5 | 180.0° | 180.0° |
| C21 | C22 | C13 | C14 | 0.0° | 0.0° |
| C21 | C22 | C13 | C12 | 178.7° | 179.8° |
| C16 | C15 | C14 | H3 | 180.0° | 180.0° |
| C16 | C15 | C14 | C13 | 0.9° | 0.1° |
| C15 | C16 | C21 | H4 | 179.1° | 180.0° |
| C16 | C15 | C14 | H11 | 179.1° | 180.0° |
| C08 | C07 | C06 | H6 | 180.0° | 180.0° |
| C08 | C07 | C06 | C12 | 178.8° | 130.0° |
| C08 | C07 | C06 | C04 | 2.6° | 50.3° |
| C07 | C08 | C09 | H8 | 148.9° | 25.7° |
| C22 | C13 | C14 | C15 | 0.3° | 0.3° |
| C22 | C13 | C14 | C12 | 178.8° | 179.8° |
| C22 | C13 | C12 | C06 | 77.9° | 35.2° |
| C22 | C13 | C12 | N23 | 105.0° | 144.5° |
| C13 | C22 | C21 | H4 | 179.7° | 179.8° |
| C22 | C13 | C14 | H11 | 179.7° | 179.8° |
| C07 | C06 | C12 | C13 | 1.8° | 0.3° |
| C07 | C06 | C12 | C04 | 178.7° | 179.7° |
| C07 | C06 | C12 | N23 | 178.9° | 180.0° |
| C07 | C06 | C04 | N05 | 0.2° | 0.0° |
| C07 | C06 | C04 | N03 | 179.8° | 180.0° |
| C06 | C07 | C08 | H7 | 1.2° | 0.0° |
| C15 | C14 | C13 | H11 | 180.0° | 179.9° |
| C15 | C14 | C13 | C12 | 178.5° | 180.0° |
| C14 | C13 | C12 | C06 | 100.8° | 145.0° |
| C14 | C13 | C12 | N23 | 76.3° | 35.3° |
| C13 | C14 | C15 | H3 | 179.1° | 179.9° |
| C14 | C13 | C22 | H5 | 180.0° | 180.0° |
| C13 | C12 | C06 | N23 | 177.1° | 179.7° |
| C13 | C12 | C06 | C04 | 179.5° | 180.0° |
| C13 | C12 | N23 | C02 | 179.2° | 179.7° |
| C12 | C13 | C22 | H5 | 1.3° | 0.2° |
| C12 | C13 | C14 | H11 | 1.5° | 0.0° |
| C12 | C06 | C04 | N05 | 178.4° | 179.7° |
| C12 | C06 | C04 | N03 | 1.2° | 0.3° |
| C06 | C12 | N23 | C02 | 2.2° | 0.0° |
| C12 | C06 | C07 | H6 | 1.2° | 50.0° |
| C04 | C06 | C12 | N23 | 2.4° | 0.3° |
| C06 | C04 | N05 | N03 | 179.6° | 180.0° |
| C06 | C04 | N03 | C02 | 0.2° | 0.0° |
| C04 | C06 | C07 | H6 | 177.4° | 129.7° |
| C06 | C04 | N05 | H14 | 179.6° | 180.0° |
| C06 | C04 | N05 | H15 | 60.4° | 0.0° |
| C12 | N23 | C02 | N03 | 0.7° | 0.3° |
| C12 | N23 | C02 | N01 | 177.0° | 180.0° |
| N05 | C04 | N03 | C02 | 179.8° | 180.0° |
| C04 | N05 | H14 | H15 | 120.0° | 179.9° |
| C04 | N03 | C02 | N23 | 0.5° | 0.3° |
| C04 | N03 | C02 | N01 | 178.2° | 180.0° |
| N03 | C04 | N05 | H14 | 0.0° | 0.1° |
| N03 | C04 | N05 | H15 | 120.0° | 180.0° |
| N23 | C02 | N03 | N01 | 177.7° | 179.7° |
| N23 | C02 | N01 | H12 | 0.0° | 179.7° |
| N23 | C02 | N01 | H13 | 120.0° | 0.3° |
| N03 | C02 | N01 | H12 | 177.8° | 0.0° |
| N03 | C02 | N01 | H13 | 62.3° | 180.0° |
| C02 | N01 | H12 | H13 | 120.0° | 180.0° |
| H1 | C10 | C09 | H8 | 18.7° | 145.0° |
| H1 | C10 | C11 | H9 | 141.2° | 0.0° |
| H1 | C10 | C11 | H10 | 0.0° | 145.0° |
| H2 | C10 | C09 | H8 | 159.9° | 0.1° |
| H2 | C10 | C11 | H9 | 0.0° | 145.0° |
| H2 | C10 | C11 | H10 | 141.1° | 0.0° |
| H3 | C15 | C14 | H11 | 0.9° | 0.0° |
| H4 | C21 | C22 | H5 | 0.3° | 0.3° |
| H6 | C07 | C08 | H7 | 178.8° | 180.0° |
| H7 | C08 | C09 | H8 | 31.1° | 154.4° |
| H8 | C09 | C11 | H9 | 159.9° | 145.0° |
| H8 | C09 | C11 | H10 | 18.7° | 0.0° |
