UUZ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C18 | C19 | doub | 1.38Å | 1.40Å | Aromatic |
| C18 | C17 | sing | 1.38Å | 1.39Å | Aromatic |
| C19 | C14 | sing | 1.39Å | 1.39Å | Aromatic |
| C17 | C16 | doub | 1.38Å | 1.39Å | Aromatic |
| C14 | O13 | sing | 1.36Å | 1.36Å | |
| C14 | C15 | doub | 1.39Å | 1.39Å | Aromatic |
| O13 | C1 | sing | 1.36Å | 1.37Å | |
| O23 | C21 | doub | 1.22Å | 1.23Å | |
| CL1 | C6 | sing | 1.74Å | 1.73Å | |
| C1 | C6 | doub | 1.38Å | 1.39Å | Aromatic |
| C1 | C2 | sing | 1.40Å | 1.40Å | Aromatic |
| C6 | C5 | sing | 1.41Å | 1.40Å | Aromatic |
| C2 | C3 | doub | 1.37Å | 1.39Å | Aromatic |
| C21 | N22 | sing | 1.34Å | 1.38Å | |
| C21 | N12 | sing | 1.34Å | 1.39Å | |
| C16 | C15 | sing | 1.38Å | 1.39Å | Aromatic |
| C15 | C20 | sing | 1.51Å | 1.53Å | |
| N22 | C27 | doub | 1.30Å | 1.38Å | |
| C5 | C10 | sing | 1.41Å | 1.40Å | Aromatic |
| C5 | C4 | doub | 1.42Å | 1.40Å | Aromatic |
| C3 | C4 | sing | 1.41Å | 1.39Å | Aromatic |
| C3 | N12 | sing | 1.40Å | 1.39Å | |
| F30 | C28 | sing | 1.40Å | 1.33Å | |
| C10 | C9 | doub | 1.36Å | 1.39Å | Aromatic |
| C4 | C7 | sing | 1.40Å | 1.40Å | Aromatic |
| N12 | C24 | sing | 1.35Å | 1.38Å | |
| C27 | C28 | sing | 1.51Å | 1.54Å | |
| C27 | C26 | sing | 1.52Å | 1.40Å | |
| C9 | C8 | sing | 1.39Å | 1.40Å | Aromatic |
| C7 | C8 | doub | 1.36Å | 1.40Å | Aromatic |
| C28 | F29 | sing | 1.40Å | 1.34Å | |
| C28 | F31 | sing | 1.40Å | 1.34Å | |
| C24 | C26 | sing | 1.52Å | 1.40Å | |
| C24 | O25 | doub | 1.21Å | 1.23Å | |
| C7 | H1 | sing | 1.08Å | 1.08Å | |
| C8 | H2 | sing | 1.08Å | 1.08Å | |
| C10 | H3 | sing | 1.08Å | 1.08Å | |
| C17 | H4 | sing | 1.08Å | 1.08Å | |
| C20 | H5 | sing | 1.09Å | 1.10Å | |
| C20 | H6 | sing | 1.09Å | 1.10Å | |
| C20 | H7 | sing | 1.09Å | 1.10Å | |
| C26 | H8 | sing | 1.09Å | 1.10Å | |
| C26 | H9 | sing | 1.09Å | 1.10Å | |
| C16 | H10 | sing | 1.08Å | 1.08Å | |
| C18 | H11 | sing | 1.08Å | 1.08Å | |
| C19 | H12 | sing | 1.08Å | 1.08Å | |
| C2 | H13 | sing | 1.08Å | 1.08Å | |
| C9 | H14 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C19 | C18 | C17 | 120.3° | 120.1° |
| C18 | C19 | C14 | 119.2° | 119.9° |
| C19 | C18 | H11 | 119.8° | 119.9° |
| C18 | C19 | H12 | 120.4° | 120.0° |
| C18 | C17 | C16 | 120.2° | 120.2° |
| C18 | C17 | H4 | 119.9° | 119.9° |
| C17 | C18 | H11 | 119.9° | 120.0° |
| C19 | C14 | O13 | 118.4° | 120.0° |
| C19 | C14 | C15 | 120.8° | 119.9° |
| C14 | C19 | H12 | 120.4° | 120.1° |
| C17 | C16 | C15 | 119.8° | 120.0° |
| C16 | C17 | H4 | 119.9° | 119.9° |
| C17 | C16 | H10 | 120.1° | 120.1° |
| O13 | C14 | C15 | 120.8° | 120.0° |
| C14 | O13 | C1 | 117.7° | 118.0° |
| C14 | C15 | C16 | 119.7° | 119.9° |
| C14 | C15 | C20 | 120.6° | 120.0° |
| O13 | C1 | C6 | 116.6° | 119.6° |
| O13 | C1 | C2 | 123.8° | 119.6° |
| O23 | C21 | N22 | 119.9° | 117.6° |
| O23 | C21 | N12 | 120.4° | 117.6° |
| CL1 | C6 | C1 | 116.7° | 120.2° |
| CL1 | C6 | C5 | 122.5° | 120.2° |
| C6 | C1 | C2 | 119.5° | 120.8° |
| C1 | C6 | C5 | 120.8° | 119.6° |
| C1 | C2 | C3 | 119.6° | 120.9° |
| C1 | C2 | H13 | 120.2° | 119.6° |
| C6 | C5 | C10 | 121.0° | 121.2° |
| C6 | C5 | C4 | 119.5° | 119.5° |
| C2 | C3 | C4 | 121.1° | 119.8° |
| C2 | C3 | N12 | 119.5° | 120.1° |
| C3 | C2 | H13 | 120.2° | 119.5° |
| N22 | C21 | N12 | 119.7° | 124.8° |
| C21 | N22 | C27 | 120.5° | 122.9° |
| C21 | N12 | C3 | 117.6° | 119.4° |
| C21 | N12 | C24 | 120.8° | 121.3° |
| C16 | C15 | C20 | 119.7° | 120.0° |
| C15 | C16 | H10 | 120.1° | 119.9° |
| C15 | C20 | H5 | 109.5° | 109.4° |
| C15 | C20 | H6 | 109.5° | 109.5° |
| C15 | C20 | H7 | 109.5° | 109.5° |
| N22 | C27 | C28 | 116.0° | 121.0° |
| N22 | C27 | C26 | 120.0° | 118.0° |
| C10 | C5 | C4 | 119.4° | 119.3° |
| C5 | C10 | C9 | 120.4° | 119.7° |
| C5 | C10 | H3 | 119.8° | 120.2° |
| C5 | C4 | C3 | 119.4° | 119.4° |
| C5 | C4 | C7 | 120.3° | 119.4° |
| C4 | C3 | N12 | 119.3° | 120.1° |
| C3 | C4 | C7 | 120.3° | 121.2° |
| C3 | N12 | C24 | 121.6° | 119.4° |
| F30 | C28 | C27 | 108.1° | 109.5° |
| F30 | C28 | F29 | 106.2° | 109.5° |
| F30 | C28 | F31 | 112.1° | 109.5° |
| C10 | C9 | C8 | 120.2° | 121.0° |
| C9 | C10 | H3 | 119.8° | 120.1° |
| C10 | C9 | H14 | 119.9° | 119.5° |
| C4 | C7 | C8 | 119.8° | 119.7° |
| C4 | C7 | H1 | 120.1° | 120.2° |
| N12 | C24 | C26 | 119.6° | 116.9° |
| N12 | C24 | O25 | 119.3° | 121.5° |
| C28 | C27 | C26 | 124.0° | 121.0° |
| C27 | C28 | F29 | 109.5° | 109.5° |
| C27 | C28 | F31 | 110.3° | 109.5° |
| C27 | C26 | C24 | 119.4° | 116.2° |
| C27 | C26 | H8 | 106.9° | 108.1° |
| C27 | C26 | H9 | 107.0° | 108.0° |
| C9 | C8 | C7 | 120.0° | 121.0° |
| C9 | C8 | H2 | 120.0° | 119.5° |
| C8 | C9 | H14 | 119.9° | 119.5° |
| C8 | C7 | H1 | 120.1° | 120.1° |
| C7 | C8 | H2 | 120.0° | 119.6° |
| F29 | C28 | F31 | 110.5° | 109.5° |
| C26 | C24 | O25 | 121.1° | 121.6° |
| C24 | C26 | H8 | 106.9° | 108.1° |
| C24 | C26 | H9 | 106.9° | 108.2° |
| H5 | C20 | H6 | 109.4° | 109.5° |
| H5 | C20 | H7 | 109.4° | 109.5° |
| H6 | C20 | H7 | 109.5° | 109.5° |
| H8 | C26 | H9 | 109.5° | 108.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C19 | C18 | C17 | H11 | 180.0° | 179.8° |
| C18 | C19 | C14 | H12 | 180.0° | 179.7° |
| C19 | C18 | C17 | C16 | 0.7° | 0.2° |
| C18 | C19 | C14 | O13 | 179.5° | 180.0° |
| C18 | C19 | C14 | C15 | 0.7° | 0.0° |
| C19 | C18 | C17 | H4 | 179.3° | 179.8° |
| C17 | C18 | C19 | C14 | 0.1° | 0.2° |
| C18 | C17 | C16 | H4 | 180.0° | 180.0° |
| C18 | C17 | C16 | C15 | 0.5° | 0.0° |
| C18 | C17 | C16 | H10 | 179.5° | 180.0° |
| C17 | C18 | C19 | H12 | 179.9° | 180.0° |
| C19 | C14 | O13 | C15 | 178.8° | 179.9° |
| C19 | C14 | O13 | C1 | 112.7° | 5.3° |
| C19 | C14 | C15 | C16 | 0.9° | 0.2° |
| C19 | C14 | C15 | C20 | 179.8° | 180.0° |
| C14 | C19 | C18 | H11 | 179.9° | 179.9° |
| C17 | C16 | C15 | C14 | 0.3° | 0.2° |
| C17 | C16 | C15 | H10 | 180.0° | 180.0° |
| C17 | C16 | C15 | C20 | 179.6° | 180.0° |
| C16 | C17 | C18 | H11 | 179.3° | 180.0° |
| C14 | O13 | C1 | C6 | 164.0° | 85.9° |
| C14 | O13 | C1 | C2 | 16.4° | 94.1° |
| O13 | C14 | C15 | C16 | 179.7° | 179.7° |
| O13 | C14 | C15 | C20 | 1.0° | 0.0° |
| O13 | C14 | C19 | H12 | 0.4° | 0.3° |
| C15 | C14 | O13 | C1 | 68.5° | 174.6° |
| C14 | C15 | C16 | C20 | 179.3° | 179.8° |
| C14 | C15 | C20 | H5 | 90.3° | 90.3° |
| C14 | C15 | C20 | H6 | 149.7° | 29.7° |
| C14 | C15 | C20 | H7 | 29.6° | 149.8° |
| C14 | C15 | C16 | H10 | 179.7° | 179.8° |
| C15 | C14 | C19 | H12 | 179.3° | 179.8° |
| O13 | C1 | C6 | CL1 | 0.4° | 0.0° |
| O13 | C1 | C6 | C2 | 179.6° | 180.0° |
| O13 | C1 | C6 | C5 | 179.5° | 180.0° |
| O13 | C1 | C2 | C3 | 179.3° | 179.7° |
| O13 | C1 | C2 | H13 | 0.7° | 0.1° |
| O23 | C21 | N22 | N12 | 179.9° | 179.9° |
| O23 | C21 | N22 | C27 | 180.0° | 180.0° |
| O23 | C21 | N12 | C3 | 0.6° | 0.2° |
| O23 | C21 | N12 | C24 | 179.1° | 180.0° |
| CL1 | C6 | C1 | C5 | 179.9° | 180.0° |
| CL1 | C6 | C1 | C2 | 180.0° | 180.0° |
| CL1 | C6 | C5 | C10 | 0.6° | 0.0° |
| CL1 | C6 | C5 | C4 | 179.6° | 180.0° |
| C6 | C1 | C2 | C3 | 1.1° | 0.3° |
| C1 | C6 | C5 | C10 | 179.3° | 180.0° |
| C1 | C6 | C5 | C4 | 0.5° | 0.0° |
| C6 | C1 | C2 | H13 | 178.9° | 180.0° |
| C2 | C1 | C6 | C5 | 0.1° | 0.0° |
| C1 | C2 | C3 | H13 | 180.0° | 179.8° |
| C1 | C2 | C3 | C4 | 1.9° | 0.5° |
| C1 | C2 | C3 | N12 | 179.8° | 180.0° |
| C6 | C5 | C10 | C4 | 179.8° | 180.0° |
| C6 | C5 | C4 | C3 | 0.3° | 0.3° |
| C6 | C5 | C10 | C9 | 179.5° | 179.9° |
| C6 | C5 | C4 | C7 | 179.7° | 180.0° |
| C6 | C5 | C10 | H3 | 0.4° | 0.0° |
| C2 | C3 | N12 | C21 | 93.3° | 89.8° |
| C2 | C3 | C4 | C5 | 1.5° | 0.5° |
| C2 | C3 | C4 | N12 | 177.9° | 179.5° |
| C2 | C3 | C4 | C7 | 179.1° | 179.7° |
| C2 | C3 | N12 | C24 | 88.2° | 90.0° |
| N22 | C21 | N12 | C3 | 179.5° | 179.7° |
| N22 | C21 | N12 | C24 | 1.0° | 0.1° |
| C21 | N22 | C27 | C28 | 179.9° | 180.0° |
| C21 | N22 | C27 | C26 | 0.9° | 0.0° |
| N12 | C21 | N22 | C27 | 0.1° | 0.1° |
| C21 | N12 | C3 | C4 | 84.6° | 90.8° |
| C21 | N12 | C3 | C24 | 178.5° | 179.7° |
| C21 | N12 | C24 | C26 | 1.0° | 0.0° |
| C21 | N12 | C24 | O25 | 178.3° | 180.0° |
| C15 | C16 | C17 | H4 | 179.5° | 180.0° |
| C16 | C15 | C20 | H5 | 90.3° | 90.0° |
| C16 | C15 | C20 | H6 | 29.7° | 150.1° |
| C16 | C15 | C20 | H7 | 149.7° | 30.0° |
| C15 | C20 | H5 | H6 | 120.0° | 120.0° |
| C15 | C20 | H5 | H7 | 120.0° | 120.0° |
| C15 | C20 | H6 | H7 | 120.0° | 120.0° |
| C20 | C15 | C16 | H10 | 0.4° | 0.0° |
| N22 | C27 | C28 | F30 | 55.0° | 120.0° |
| N22 | C27 | C28 | C26 | 179.2° | 180.0° |
| N22 | C27 | C28 | F29 | 60.3° | 0.0° |
| N22 | C27 | C28 | F31 | 177.8° | 120.0° |
| N22 | C27 | C26 | C24 | 0.9° | 0.0° |
| N22 | C27 | C26 | H8 | 122.3° | 121.7° |
| N22 | C27 | C26 | H9 | 120.5° | 121.7° |
| C10 | C5 | C4 | C3 | 179.8° | 179.7° |
| C5 | C10 | C9 | H3 | 180.0° | 180.0° |
| C10 | C5 | C4 | C7 | 0.5° | 0.0° |
| C5 | C10 | C9 | C8 | 0.5° | 0.1° |
| C5 | C10 | C9 | H14 | 179.5° | 180.0° |
| C5 | C4 | C3 | C7 | 179.3° | 179.8° |
| C5 | C4 | C3 | N12 | 179.4° | 180.0° |
| C4 | C5 | C10 | C9 | 0.6° | 0.1° |
| C5 | C4 | C7 | C8 | 0.3° | 0.1° |
| C5 | C4 | C7 | H1 | 179.7° | 179.9° |
| C4 | C5 | C10 | H3 | 179.4° | 180.0° |
| C4 | C3 | N12 | C24 | 93.9° | 89.5° |
| C3 | C4 | C7 | C8 | 179.6° | 179.7° |
| C3 | C4 | C7 | H1 | 0.4° | 0.2° |
| C4 | C3 | C2 | H13 | 178.1° | 179.7° |
| N12 | C3 | C4 | C7 | 1.3° | 0.3° |
| C3 | N12 | C24 | C26 | 179.5° | 179.7° |
| C3 | N12 | C24 | O25 | 0.1° | 0.3° |
| N12 | C3 | C2 | H13 | 0.2° | 0.3° |
| F30 | C28 | C27 | F29 | 115.3° | 120.0° |
| F30 | C28 | C27 | F31 | 122.9° | 120.0° |
| F30 | C28 | C27 | C26 | 125.9° | 60.0° |
| F30 | C28 | F29 | F31 | 121.8° | 120.0° |
| C10 | C9 | C8 | H14 | 180.0° | 179.9° |
| C10 | C9 | C8 | C7 | 0.3° | 0.0° |
| C10 | C9 | C8 | H2 | 179.8° | 180.0° |
| C4 | C7 | C8 | C9 | 0.1° | 0.1° |
| C4 | C7 | C8 | H1 | 180.0° | 179.8° |
| C4 | C7 | C8 | H2 | 179.9° | 180.0° |
| N12 | C24 | C26 | C27 | 0.1° | 0.0° |
| N12 | C24 | C26 | O25 | 179.4° | 180.0° |
| N12 | C24 | C26 | H8 | 121.3° | 121.8° |
| N12 | C24 | C26 | H9 | 121.5° | 121.6° |
| C27 | C28 | F29 | F31 | 121.7° | 120.0° |
| C28 | C27 | C26 | C24 | 180.0° | 180.0° |
| C28 | C27 | C26 | H8 | 58.6° | 58.3° |
| C28 | C27 | C26 | H9 | 58.6° | 58.3° |
| C26 | C27 | C28 | F29 | 118.8° | 180.0° |
| C26 | C27 | C28 | F31 | 3.0° | 60.0° |
| C27 | C26 | C24 | H8 | 121.4° | 121.7° |
| C27 | C26 | C24 | H9 | 121.4° | 121.6° |
| C27 | C26 | C24 | O25 | 179.3° | 180.0° |
| C27 | C26 | H8 | H9 | 115.5° | 116.6° |
| C9 | C8 | C7 | H2 | 180.0° | 180.0° |
| C9 | C8 | C7 | H1 | 179.9° | 179.9° |
| C8 | C9 | C10 | H3 | 179.5° | 179.9° |
| C7 | C8 | C9 | H14 | 179.7° | 179.9° |
| C24 | C26 | H8 | H9 | 115.5° | 116.8° |
| O25 | C24 | C26 | H8 | 59.3° | 58.3° |
| O25 | C24 | C26 | H9 | 57.9° | 58.4° |
| H1 | C7 | C8 | H2 | 0.1° | 0.1° |
| H2 | C8 | C9 | H14 | 0.3° | 0.1° |
| H3 | C10 | C9 | H14 | 0.5° | 0.1° |
| H4 | C17 | C16 | H10 | 0.5° | 0.0° |
| H4 | C17 | C18 | H11 | 0.8° | 0.0° |
| H5 | C20 | H6 | H7 | 119.9° | 120.0° |
| H11 | C18 | C19 | H12 | 0.1° | 0.2° |
