ZUT
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| F01 | C02 | sing | 1.35Å | 1.42Å | |
| C02 | C03 | doub | 1.39Å | 1.40Å | Aromatic |
| C02 | C07 | sing | 1.38Å | 1.41Å | Aromatic |
| C03 | C04 | sing | 1.38Å | 1.42Å | Aromatic |
| C07 | C06 | doub | 1.39Å | 1.44Å | Aromatic |
| C11 | C10 | doub | 1.38Å | 1.42Å | Aromatic |
| C11 | C12 | sing | 1.38Å | 1.43Å | Aromatic |
| C10 | C09 | sing | 1.39Å | 1.43Å | Aromatic |
| C12 | C13 | doub | 1.39Å | 1.42Å | Aromatic |
| C04 | C05 | doub | 1.40Å | 1.42Å | Aromatic |
| C21 | C22 | doub | 1.38Å | 1.43Å | Aromatic |
| C21 | C20 | sing | 1.38Å | 1.42Å | Aromatic |
| C06 | C05 | sing | 1.41Å | 1.41Å | Aromatic |
| C06 | N08 | sing | 1.39Å | 1.51Å | |
| C22 | C17 | sing | 1.38Å | 1.43Å | Aromatic |
| C09 | N08 | sing | 1.40Å | 1.44Å | |
| C09 | C14 | doub | 1.39Å | 1.45Å | Aromatic |
| C13 | C14 | sing | 1.39Å | 1.43Å | Aromatic |
| C13 | O15 | sing | 1.36Å | 1.43Å | |
| C20 | C19 | doub | 1.38Å | 1.43Å | Aromatic |
| C05 | C23 | sing | 1.47Å | 1.56Å | |
| C17 | C16 | sing | 1.51Å | 1.58Å | |
| C17 | C18 | doub | 1.38Å | 1.42Å | Aromatic |
| O15 | C16 | sing | 1.43Å | 1.42Å | |
| C19 | C18 | sing | 1.38Å | 1.42Å | Aromatic |
| C23 | O25 | doub | 1.22Å | 1.26Å | |
| C23 | O24 | sing | 1.35Å | 1.26Å | |
| C10 | H1 | sing | 1.08Å | 1.08Å | |
| C20 | H2 | sing | 1.08Å | 1.08Å | |
| C21 | H3 | sing | 1.08Å | 1.08Å | |
| C22 | H4 | sing | 1.08Å | 1.08Å | |
| C03 | H5 | sing | 1.08Å | 1.08Å | |
| C04 | H6 | sing | 1.08Å | 1.08Å | |
| C07 | H7 | sing | 1.08Å | 1.08Å | |
| C11 | H8 | sing | 1.08Å | 1.08Å | |
| C12 | H9 | sing | 1.08Å | 1.08Å | |
| C14 | H10 | sing | 1.08Å | 1.08Å | |
| C16 | H11 | sing | 1.09Å | 1.10Å | |
| C16 | H12 | sing | 1.09Å | 1.10Å | |
| C18 | H13 | sing | 1.08Å | 1.08Å | |
| C19 | H14 | sing | 1.08Å | 1.08Å | |
| N08 | H15 | sing | 0.97Å | 1.00Å | |
| O24 | H16 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| F01 | C02 | C03 | 116.6° | 119.8° |
| F01 | C02 | C07 | 117.8° | 119.8° |
| C03 | C02 | C07 | 125.6° | 120.4° |
| C02 | C03 | C04 | 115.6° | 120.3° |
| C02 | C03 | H5 | 122.2° | 119.8° |
| C02 | C07 | C06 | 117.4° | 120.1° |
| C02 | C07 | H7 | 121.3° | 120.0° |
| C03 | C04 | C05 | 121.5° | 119.9° |
| C04 | C03 | H5 | 122.2° | 119.9° |
| C03 | C04 | H6 | 119.2° | 120.0° |
| C07 | C06 | C05 | 118.9° | 119.6° |
| C07 | C06 | N08 | 119.7° | 120.2° |
| C06 | C07 | H7 | 121.3° | 119.9° |
| C10 | C11 | C12 | 122.0° | 120.1° |
| C11 | C10 | C09 | 121.0° | 120.0° |
| C11 | C10 | H1 | 119.5° | 120.0° |
| C10 | C11 | H8 | 119.0° | 120.0° |
| C11 | C12 | C13 | 118.1° | 120.1° |
| C12 | C11 | H8 | 119.0° | 119.9° |
| C11 | C12 | H9 | 120.9° | 120.0° |
| C10 | C09 | N08 | 120.5° | 120.0° |
| C10 | C09 | C14 | 116.7° | 119.9° |
| C09 | C10 | H1 | 119.5° | 120.0° |
| C12 | C13 | C14 | 120.4° | 120.0° |
| C12 | C13 | O15 | 120.2° | 120.0° |
| C13 | C12 | H9 | 120.9° | 119.9° |
| C04 | C05 | C06 | 121.0° | 119.7° |
| C04 | C05 | C23 | 119.7° | 120.2° |
| C05 | C04 | H6 | 119.3° | 120.1° |
| C22 | C21 | C20 | 120.3° | 119.9° |
| C21 | C22 | C17 | 121.1° | 120.0° |
| C22 | C21 | H3 | 119.9° | 120.0° |
| C21 | C22 | H4 | 119.5° | 120.0° |
| C21 | C20 | C19 | 118.7° | 120.0° |
| C21 | C20 | H2 | 120.6° | 119.9° |
| C20 | C21 | H3 | 119.8° | 120.1° |
| C05 | C06 | N08 | 121.3° | 120.2° |
| C06 | C05 | C23 | 119.3° | 120.2° |
| C06 | N08 | C09 | 126.1° | 120.0° |
| C06 | N08 | H15 | 116.9° | 120.0° |
| C22 | C17 | C16 | 121.5° | 120.0° |
| C22 | C17 | C18 | 118.1° | 120.0° |
| C17 | C22 | H4 | 119.5° | 120.0° |
| N08 | C09 | C14 | 122.8° | 120.1° |
| C09 | N08 | H15 | 116.9° | 119.9° |
| C09 | C14 | C13 | 121.8° | 119.8° |
| C09 | C14 | H10 | 119.1° | 120.1° |
| C14 | C13 | O15 | 119.4° | 120.0° |
| C13 | C14 | H10 | 119.1° | 120.1° |
| C13 | O15 | C16 | 118.9° | 117.0° |
| C20 | C19 | C18 | 120.6° | 120.0° |
| C19 | C20 | H2 | 120.6° | 120.0° |
| C20 | C19 | H14 | 119.7° | 120.0° |
| C05 | C23 | O25 | 118.2° | 120.0° |
| C05 | C23 | O24 | 116.4° | 120.0° |
| C16 | C17 | C18 | 120.3° | 120.0° |
| C17 | C16 | O15 | 111.8° | 109.4° |
| C17 | C16 | H11 | 108.9° | 109.4° |
| C17 | C16 | H12 | 108.9° | 109.4° |
| C17 | C18 | C19 | 121.2° | 120.0° |
| C17 | C18 | H13 | 119.4° | 120.0° |
| O15 | C16 | H11 | 108.9° | 109.5° |
| O15 | C16 | H12 | 108.9° | 109.5° |
| C19 | C18 | H13 | 119.4° | 120.0° |
| C18 | C19 | H14 | 119.7° | 120.1° |
| O25 | C23 | O24 | 125.4° | 120.0° |
| C23 | O24 | H16 | 109.5° | 117.0° |
| H11 | C16 | H12 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F01 | C02 | C03 | C07 | 179.7° | 179.7° |
| F01 | C02 | C03 | C04 | 179.5° | 179.8° |
| F01 | C02 | C07 | C06 | 179.7° | 179.7° |
| F01 | C02 | C03 | H5 | 0.5° | 0.3° |
| F01 | C02 | C07 | H7 | 0.3° | 0.3° |
| C02 | C03 | C04 | H5 | 180.0° | 179.9° |
| C03 | C02 | C07 | C06 | 0.0° | 0.0° |
| C02 | C03 | C04 | C05 | 0.5° | 0.1° |
| C02 | C03 | C04 | H6 | 179.5° | 180.0° |
| C03 | C02 | C07 | H7 | 180.0° | 180.0° |
| C07 | C02 | C03 | C04 | 0.2° | 0.1° |
| C02 | C07 | C06 | H7 | 180.0° | 180.0° |
| C02 | C07 | C06 | C05 | 0.0° | 0.0° |
| C02 | C07 | C06 | N08 | 179.7° | 180.0° |
| C07 | C02 | C03 | H5 | 179.8° | 180.0° |
| C03 | C04 | C05 | H6 | 180.0° | 180.0° |
| C03 | C04 | C05 | C06 | 0.5° | 0.0° |
| C03 | C04 | C05 | C23 | 179.8° | 180.0° |
| C07 | C06 | C05 | C04 | 0.3° | 0.0° |
| C07 | C06 | C05 | N08 | 179.7° | 180.0° |
| C07 | C06 | N08 | C09 | 20.5° | 98.8° |
| C07 | C06 | C05 | C23 | 179.5° | 180.0° |
| C07 | C06 | N08 | H15 | 159.5° | 81.3° |
| C10 | C11 | C12 | H8 | 180.0° | 180.0° |
| C11 | C10 | C09 | H1 | 180.0° | 179.7° |
| C10 | C11 | C12 | C13 | 1.6° | 0.0° |
| C11 | C10 | C09 | N08 | 179.0° | 179.8° |
| C11 | C10 | C09 | C14 | 0.8° | 0.3° |
| C10 | C11 | C12 | H9 | 178.4° | 180.0° |
| C12 | C11 | C10 | C09 | 2.1° | 0.0° |
| C11 | C12 | C13 | H9 | 180.0° | 180.0° |
| C11 | C12 | C13 | C14 | 0.1° | 0.2° |
| C11 | C12 | C13 | O15 | 178.6° | 179.8° |
| C12 | C11 | C10 | H1 | 177.9° | 179.7° |
| C10 | C09 | N08 | C06 | 67.5° | 2.2° |
| C10 | C09 | N08 | C14 | 179.8° | 179.9° |
| C10 | C09 | C14 | C13 | 0.8° | 0.6° |
| C09 | C10 | C11 | H8 | 177.9° | 180.0° |
| C10 | C09 | C14 | H10 | 179.2° | 180.0° |
| C10 | C09 | N08 | H15 | 112.4° | 177.9° |
| C12 | C13 | C14 | C09 | 1.3° | 0.5° |
| C12 | C13 | C14 | O15 | 178.5° | 179.5° |
| C12 | C13 | O15 | C16 | 134.4° | 0.5° |
| C13 | C12 | C11 | H8 | 178.4° | 180.0° |
| C12 | C13 | C14 | H10 | 178.8° | 180.0° |
| C04 | C05 | C06 | C23 | 179.3° | 180.0° |
| C04 | C05 | C06 | N08 | 179.9° | 180.0° |
| C04 | C05 | C23 | O25 | 3.2° | 174.5° |
| C04 | C05 | C23 | O24 | 176.2° | 5.5° |
| C05 | C04 | C03 | H5 | 179.6° | 180.0° |
| C22 | C21 | C20 | H3 | 180.0° | 179.9° |
| C21 | C22 | C17 | H4 | 180.0° | 179.9° |
| C22 | C21 | C20 | C19 | 0.9° | 0.2° |
| C21 | C22 | C17 | C16 | 179.5° | 180.0° |
| C21 | C22 | C17 | C18 | 0.7° | 0.4° |
| C22 | C21 | C20 | H2 | 179.1° | 180.0° |
| C20 | C21 | C22 | C17 | 1.1° | 0.1° |
| C21 | C20 | C19 | H2 | 180.0° | 179.8° |
| C21 | C20 | C19 | C18 | 0.4° | 0.3° |
| C20 | C21 | C22 | H4 | 178.9° | 180.0° |
| C21 | C20 | C19 | H14 | 179.6° | 179.9° |
| C05 | C06 | N08 | C09 | 159.8° | 81.2° |
| C06 | C05 | C23 | O25 | 177.6° | 5.5° |
| C06 | C05 | C23 | O24 | 3.1° | 174.5° |
| C06 | C05 | C04 | H6 | 179.5° | 180.0° |
| C05 | C06 | C07 | H7 | 180.0° | 180.0° |
| C05 | C06 | N08 | H15 | 20.2° | 98.7° |
| C06 | N08 | C09 | H15 | 180.0° | 179.9° |
| C06 | N08 | C09 | C14 | 112.3° | 177.9° |
| N08 | C06 | C05 | C23 | 0.8° | 0.0° |
| N08 | C06 | C07 | H7 | 0.3° | 0.0° |
| C22 | C17 | C16 | C18 | 179.8° | 179.7° |
| C22 | C17 | C16 | O15 | 134.0° | 90.3° |
| C22 | C17 | C18 | C19 | 0.2° | 0.3° |
| C17 | C22 | C21 | H3 | 178.9° | 180.0° |
| C22 | C17 | C16 | H11 | 13.6° | 29.7° |
| C22 | C17 | C16 | H12 | 105.7° | 149.7° |
| C22 | C17 | C18 | H13 | 179.9° | 179.6° |
| N08 | C09 | C14 | C13 | 179.4° | 179.5° |
| N08 | C09 | C10 | H1 | 1.0° | 0.1° |
| N08 | C09 | C14 | H10 | 0.6° | 0.1° |
| C09 | C14 | C13 | H10 | 180.0° | 179.4° |
| C09 | C14 | C13 | O15 | 179.8° | 179.9° |
| C14 | C09 | C10 | H1 | 179.2° | 180.0° |
| C14 | C09 | N08 | H15 | 67.8° | 2.0° |
| C14 | C13 | O15 | C16 | 44.2° | 180.0° |
| C14 | C13 | C12 | H9 | 180.0° | 179.8° |
| C13 | O15 | C16 | C17 | 142.0° | 180.0° |
| O15 | C13 | C12 | H9 | 1.5° | 0.2° |
| O15 | C13 | C14 | H10 | 0.2° | 0.5° |
| C13 | O15 | C16 | H11 | 21.6° | 60.0° |
| C13 | O15 | C16 | H12 | 97.7° | 60.1° |
| C20 | C19 | C18 | C17 | 0.0° | 0.0° |
| C20 | C19 | C18 | H14 | 180.0° | 179.7° |
| C19 | C20 | C21 | H3 | 179.0° | 179.7° |
| C20 | C19 | C18 | H13 | 180.0° | 179.9° |
| C05 | C23 | O25 | O24 | 179.3° | 180.0° |
| C23 | C05 | C04 | H6 | 0.2° | 0.0° |
| C05 | C23 | O24 | H16 | 179.3° | 180.0° |
| C17 | C16 | O15 | H11 | 120.3° | 119.9° |
| C17 | C16 | O15 | H12 | 120.3° | 119.9° |
| C16 | C17 | C18 | C19 | 180.0° | 180.0° |
| C16 | C17 | C22 | H4 | 0.5° | 0.1° |
| C17 | C16 | H11 | H12 | 118.9° | 120.0° |
| C16 | C17 | C18 | H13 | 0.1° | 0.0° |
| C18 | C17 | C16 | O15 | 46.2° | 90.0° |
| C17 | C18 | C19 | H13 | 180.0° | 179.9° |
| C18 | C17 | C22 | H4 | 179.3° | 179.7° |
| C18 | C17 | C16 | H11 | 166.6° | 150.0° |
| C18 | C17 | C16 | H12 | 74.1° | 30.0° |
| C17 | C18 | C19 | H14 | 180.0° | 179.7° |
| O15 | C16 | H11 | H12 | 119.0° | 120.1° |
| C18 | C19 | C20 | H2 | 179.6° | 179.9° |
| O25 | C23 | O24 | H16 | 0.0° | 0.1° |
| H1 | C10 | C11 | H8 | 2.1° | 0.3° |
| H2 | C20 | C21 | H3 | 0.9° | 0.1° |
| H2 | C20 | C19 | H14 | 0.4° | 0.3° |
| H3 | C21 | C22 | H4 | 1.1° | 0.1° |
| H5 | C03 | C04 | H6 | 0.5° | 0.1° |
| H8 | C11 | C12 | H9 | 1.6° | 0.1° |
| H13 | C18 | C19 | H14 | 0.0° | 0.4° |
