EKY
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N06 | C12 | sing | 1.40Å | 0.00Å | |
| C14 | C12 | doub | 1.39Å | 0.00Å | Aromatic |
| C14 | C13 | sing | 1.39Å | 0.00Å | Aromatic |
| O05 | C13 | sing | 1.36Å | 0.00Å | |
| O05 | C25 | sing | 1.43Å | 0.00Å | |
| C12 | C08 | sing | 1.39Å | 0.00Å | Aromatic |
| C13 | C20 | doub | 1.39Å | 0.00Å | Aromatic |
| C25 | C27 | sing | 1.53Å | 0.00Å | |
| C08 | O04 | sing | 1.36Å | 0.00Å | |
| C08 | C15 | doub | 1.38Å | 0.00Å | Aromatic |
| C20 | C15 | sing | 1.38Å | 0.00Å | Aromatic |
| O04 | C11 | sing | 1.36Å | 0.00Å | |
| C11 | C19 | doub | 1.39Å | 0.00Å | Aromatic |
| C11 | C18 | sing | 1.39Å | 0.00Å | Aromatic |
| C19 | C17 | sing | 1.38Å | 0.00Å | Aromatic |
| C18 | C16 | doub | 1.38Å | 0.00Å | Aromatic |
| C17 | C10 | doub | 1.39Å | 0.00Å | Aromatic |
| C16 | C10 | sing | 1.39Å | 0.00Å | Aromatic |
| C10 | O03 | sing | 1.36Å | 0.00Å | |
| O03 | C07 | sing | 1.43Å | 0.00Å | |
| C07 | C09 | sing | 1.51Å | 0.00Å | |
| C22 | C09 | doub | 1.38Å | 0.00Å | Aromatic |
| C22 | C23 | sing | 1.39Å | 0.00Å | Aromatic |
| C09 | C21 | sing | 1.39Å | 0.00Å | Aromatic |
| F02 | C23 | sing | 1.35Å | 0.00Å | |
| C23 | C26 | doub | 1.38Å | 0.00Å | Aromatic |
| C21 | F01 | sing | 1.35Å | 0.00Å | |
| C21 | C24 | doub | 1.38Å | 0.00Å | Aromatic |
| C26 | C24 | sing | 1.38Å | 0.00Å | Aromatic |
| C15 | H1 | sing | 1.08Å | 0.00Å | |
| C17 | H2 | sing | 1.08Å | 0.00Å | |
| C20 | H3 | sing | 1.08Å | 0.00Å | |
| C22 | H4 | sing | 1.08Å | 0.00Å | |
| C24 | H5 | sing | 1.08Å | 0.00Å | |
| C26 | H6 | sing | 1.08Å | 0.00Å | |
| C07 | H7 | sing | 1.09Å | 0.00Å | |
| C07 | H8 | sing | 1.09Å | 0.00Å | |
| C14 | H9 | sing | 1.08Å | 0.00Å | |
| C16 | H10 | sing | 1.08Å | 0.00Å | |
| C18 | H11 | sing | 1.08Å | 0.00Å | |
| C19 | H12 | sing | 1.08Å | 0.00Å | |
| C25 | H13 | sing | 1.09Å | 0.00Å | |
| C25 | H14 | sing | 1.09Å | 0.00Å | |
| C27 | H15 | sing | 1.09Å | 0.00Å | |
| C27 | H16 | sing | 1.09Å | 0.00Å | |
| C27 | H17 | sing | 1.09Å | 0.00Å | |
| N06 | H18 | sing | 0.97Å | 0.00Å | |
| N06 | H19 | sing | 0.97Å | 0.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N06 | C12 | C14 | 90.0° | 120.0° |
| N06 | C12 | C08 | 90.0° | 120.1° |
| C12 | N06 | H18 | 90.0° | 120.0° |
| C12 | N06 | H19 | 90.0° | 120.0° |
| C12 | C14 | C13 | 90.0° | 119.9° |
| C14 | C12 | C08 | 90.0° | 119.9° |
| C12 | C14 | H9 | 90.0° | 120.1° |
| C14 | C13 | O05 | 90.0° | 119.9° |
| C14 | C13 | C20 | 90.0° | 120.1° |
| C13 | C14 | H9 | 90.0° | 120.1° |
| C13 | O05 | C25 | 90.0° | 116.9° |
| O05 | C13 | C20 | 90.0° | 120.0° |
| O05 | C25 | C27 | 90.0° | 109.4° |
| O05 | C25 | H13 | 90.0° | 109.5° |
| O05 | C25 | H14 | 90.0° | 109.5° |
| C12 | C08 | O04 | 90.0° | 120.0° |
| C12 | C08 | C15 | 90.0° | 119.9° |
| C13 | C20 | C15 | 90.0° | 120.1° |
| C13 | C20 | H3 | 90.0° | 119.9° |
| C27 | C25 | H13 | 90.0° | 109.5° |
| C27 | C25 | H14 | 90.0° | 109.5° |
| C25 | C27 | H15 | 90.0° | 109.5° |
| C25 | C27 | H16 | 90.0° | 109.5° |
| C25 | C27 | H17 | 90.0° | 109.5° |
| O04 | C08 | C15 | 90.0° | 120.1° |
| C08 | O04 | C11 | 90.0° | 118.0° |
| C08 | C15 | C20 | 90.0° | 120.1° |
| C08 | C15 | H1 | 90.0° | 120.0° |
| C20 | C15 | H1 | 90.0° | 120.0° |
| C15 | C20 | H3 | 90.0° | 119.9° |
| O04 | C11 | C19 | 90.0° | 120.0° |
| O04 | C11 | C18 | 90.0° | 120.0° |
| C19 | C11 | C18 | 90.0° | 120.0° |
| C11 | C19 | C17 | 90.0° | 120.0° |
| C11 | C19 | H12 | 90.0° | 120.0° |
| C11 | C18 | C16 | 90.0° | 120.0° |
| C11 | C18 | H11 | 90.0° | 120.0° |
| C19 | C17 | C10 | 90.0° | 120.0° |
| C19 | C17 | H2 | 90.0° | 120.0° |
| C17 | C19 | H12 | 90.0° | 120.0° |
| C18 | C16 | C10 | 90.0° | 120.0° |
| C18 | C16 | H10 | 90.0° | 120.0° |
| C16 | C18 | H11 | 90.0° | 120.0° |
| C17 | C10 | C16 | 90.0° | 120.0° |
| C17 | C10 | O03 | 90.0° | 120.0° |
| C10 | C17 | H2 | 90.0° | 120.0° |
| C16 | C10 | O03 | 90.0° | 120.0° |
| C10 | C16 | H10 | 90.0° | 120.0° |
| C10 | O03 | C07 | 90.0° | 117.0° |
| O03 | C07 | C09 | 90.0° | 109.5° |
| O03 | C07 | H7 | 90.0° | 109.5° |
| O03 | C07 | H8 | 90.0° | 109.5° |
| C07 | C09 | C22 | 90.0° | 120.0° |
| C07 | C09 | C21 | 90.0° | 120.0° |
| C09 | C07 | H7 | 90.0° | 109.4° |
| C09 | C07 | H8 | 90.0° | 109.5° |
| C09 | C22 | C23 | 90.0° | 120.0° |
| C22 | C09 | C21 | 90.0° | 120.0° |
| C09 | C22 | H4 | 90.0° | 120.0° |
| C22 | C23 | F02 | 90.0° | 120.0° |
| C22 | C23 | C26 | 90.0° | 120.0° |
| C23 | C22 | H4 | 90.0° | 120.0° |
| C09 | C21 | F01 | 90.0° | 120.0° |
| C09 | C21 | C24 | 90.0° | 120.0° |
| F02 | C23 | C26 | 90.0° | 120.0° |
| C23 | C26 | C24 | 90.0° | 120.0° |
| C23 | C26 | H6 | 90.0° | 119.9° |
| F01 | C21 | C24 | 90.0° | 120.0° |
| C21 | C24 | C26 | 90.0° | 120.0° |
| C21 | C24 | H5 | 90.0° | 119.9° |
| C26 | C24 | H5 | 90.0° | 120.0° |
| C24 | C26 | H6 | 90.0° | 120.0° |
| H7 | C07 | H8 | 90.0° | 109.5° |
| H13 | C25 | H14 | 90.0° | 109.5° |
| H15 | C27 | H16 | 90.0° | 109.4° |
| H15 | C27 | H17 | 90.0° | 109.4° |
| H16 | C27 | H17 | 90.0° | 109.5° |
| H18 | N06 | H19 | 90.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N06 | C12 | C14 | C08 | 90.0° | 180.0° |
| N06 | C12 | C14 | C13 | 90.0° | 180.0° |
| N06 | C12 | C08 | O04 | 90.0° | 0.0° |
| N06 | C12 | C08 | C15 | 90.0° | 180.0° |
| N06 | C12 | C14 | H9 | 90.0° | 0.0° |
| C12 | N06 | H18 | H19 | 90.0° | 180.0° |
| C12 | C14 | C13 | H9 | 90.0° | 180.0° |
| C12 | C14 | C13 | O05 | 90.0° | 179.7° |
| C12 | C14 | C13 | C20 | 90.0° | 0.0° |
| C14 | C12 | C08 | O04 | 90.0° | 180.0° |
| C14 | C12 | C08 | C15 | 90.0° | 0.0° |
| C14 | C12 | N06 | H18 | 90.0° | 179.9° |
| C14 | C12 | N06 | H19 | 90.0° | 0.0° |
| C14 | C13 | O05 | C20 | 90.0° | 179.7° |
| C14 | C13 | O05 | C25 | 90.0° | 179.7° |
| C13 | C14 | C12 | C08 | 90.0° | 0.0° |
| C14 | C13 | C20 | C15 | 90.0° | 0.0° |
| C14 | C13 | C20 | H3 | 90.0° | 180.0° |
| C13 | O05 | C25 | C27 | 90.0° | 180.0° |
| O05 | C13 | C20 | C15 | 90.0° | 179.7° |
| O05 | C13 | C20 | H3 | 90.0° | 0.4° |
| O05 | C13 | C14 | H9 | 90.0° | 0.3° |
| C13 | O05 | C25 | H13 | 90.0° | 60.0° |
| C13 | O05 | C25 | H14 | 90.0° | 60.0° |
| C25 | O05 | C13 | C20 | 90.0° | 0.0° |
| O05 | C25 | C27 | H13 | 90.0° | 120.0° |
| O05 | C25 | C27 | H14 | 90.0° | 120.0° |
| O05 | C25 | H13 | H14 | 90.0° | 120.0° |
| O05 | C25 | C27 | H15 | 90.0° | 60.0° |
| O05 | C25 | C27 | H16 | 90.0° | 60.0° |
| O05 | C25 | C27 | H17 | 90.0° | 180.0° |
| C12 | C08 | O04 | C15 | 90.0° | 180.0° |
| C12 | C08 | C15 | C20 | 90.0° | 0.0° |
| C12 | C08 | O04 | C11 | 90.0° | 179.6° |
| C12 | C08 | C15 | H1 | 90.0° | 180.0° |
| C08 | C12 | C14 | H9 | 90.0° | 180.0° |
| C08 | C12 | N06 | H18 | 90.0° | 0.0° |
| C08 | C12 | N06 | H19 | 90.0° | 180.0° |
| C13 | C20 | C15 | C08 | 90.0° | 0.0° |
| C13 | C20 | C15 | H3 | 90.0° | 179.9° |
| C13 | C20 | C15 | H1 | 90.0° | 179.9° |
| C20 | C13 | C14 | H9 | 90.0° | 180.0° |
| C27 | C25 | H13 | H14 | 90.0° | 120.1° |
| C25 | C27 | H15 | H16 | 90.0° | 120.1° |
| C25 | C27 | H15 | H17 | 90.0° | 120.0° |
| C25 | C27 | H16 | H17 | 90.0° | 120.0° |
| O04 | C08 | C15 | C20 | 90.0° | 180.0° |
| C08 | O04 | C11 | C19 | 90.0° | 90.3° |
| C08 | O04 | C11 | C18 | 90.0° | 90.0° |
| O04 | C08 | C15 | H1 | 90.0° | 0.1° |
| C08 | C15 | C20 | H1 | 90.0° | 179.9° |
| C15 | C08 | O04 | C11 | 90.0° | 0.4° |
| C08 | C15 | C20 | H3 | 90.0° | 180.0° |
| O04 | C11 | C19 | C18 | 90.0° | 179.7° |
| O04 | C11 | C19 | C17 | 90.0° | 180.0° |
| O04 | C11 | C18 | C16 | 90.0° | 180.0° |
| O04 | C11 | C18 | H11 | 90.0° | 0.3° |
| O04 | C11 | C19 | H12 | 90.0° | 0.4° |
| C11 | C19 | C17 | H12 | 90.0° | 179.7° |
| C19 | C11 | C18 | C16 | 90.0° | 0.3° |
| C11 | C19 | C17 | C10 | 90.0° | 0.0° |
| C11 | C19 | C17 | H2 | 90.0° | 180.0° |
| C19 | C11 | C18 | H11 | 90.0° | 180.0° |
| C18 | C11 | C19 | C17 | 90.0° | 0.3° |
| C11 | C18 | C16 | H11 | 90.0° | 179.7° |
| C11 | C18 | C16 | C10 | 90.0° | 0.0° |
| C11 | C18 | C16 | H10 | 90.0° | 180.0° |
| C18 | C11 | C19 | H12 | 90.0° | 180.0° |
| C19 | C17 | C10 | H2 | 90.0° | 180.0° |
| C19 | C17 | C10 | C16 | 90.0° | 0.3° |
| C19 | C17 | C10 | O03 | 90.0° | 180.0° |
| C18 | C16 | C10 | C17 | 90.0° | 0.3° |
| C18 | C16 | C10 | H10 | 90.0° | 180.0° |
| C18 | C16 | C10 | O03 | 90.0° | 180.0° |
| C17 | C10 | C16 | O03 | 90.0° | 179.7° |
| C17 | C10 | O03 | C07 | 90.0° | 180.0° |
| C17 | C10 | C16 | H10 | 90.0° | 179.7° |
| C10 | C17 | C19 | H12 | 90.0° | 179.7° |
| C16 | C10 | O03 | C07 | 90.0° | 0.3° |
| C16 | C10 | C17 | H2 | 90.0° | 179.7° |
| C10 | C16 | C18 | H11 | 90.0° | 179.7° |
| C10 | O03 | C07 | C09 | 90.0° | 180.0° |
| O03 | C10 | C17 | H2 | 90.0° | 0.1° |
| C10 | O03 | C07 | H7 | 90.0° | 60.0° |
| C10 | O03 | C07 | H8 | 90.0° | 60.0° |
| O03 | C10 | C16 | H10 | 90.0° | 0.0° |
| O03 | C07 | C09 | H7 | 90.0° | 120.0° |
| O03 | C07 | C09 | H8 | 90.0° | 120.0° |
| O03 | C07 | C09 | C22 | 90.0° | 0.1° |
| O03 | C07 | C09 | C21 | 90.0° | 179.9° |
| O03 | C07 | H7 | H8 | 90.0° | 120.0° |
| C07 | C09 | C22 | C21 | 90.0° | 179.9° |
| C07 | C09 | C22 | C23 | 90.0° | 180.0° |
| C07 | C09 | C21 | F01 | 90.0° | 0.0° |
| C07 | C09 | C21 | C24 | 90.0° | 179.8° |
| C07 | C09 | C22 | H4 | 90.0° | 0.1° |
| C09 | C07 | H7 | H8 | 90.0° | 120.0° |
| C09 | C22 | C23 | H4 | 90.0° | 179.9° |
| C09 | C22 | C23 | F02 | 90.0° | 180.0° |
| C09 | C22 | C23 | C26 | 90.0° | 0.2° |
| C22 | C09 | C21 | F01 | 90.0° | 179.9° |
| C22 | C09 | C21 | C24 | 90.0° | 0.3° |
| C22 | C09 | C07 | H7 | 90.0° | 120.0° |
| C22 | C09 | C07 | H8 | 90.0° | 119.9° |
| C23 | C22 | C09 | C21 | 90.0° | 0.1° |
| C22 | C23 | F02 | C26 | 90.0° | 179.8° |
| C22 | C23 | C26 | C24 | 90.0° | 0.3° |
| C22 | C23 | C26 | H6 | 90.0° | 179.8° |
| C09 | C21 | F01 | C24 | 90.0° | 179.7° |
| C09 | C21 | C24 | C26 | 90.0° | 0.2° |
| C21 | C09 | C22 | H4 | 90.0° | 180.0° |
| C09 | C21 | C24 | H5 | 90.0° | 179.7° |
| C21 | C09 | C07 | H7 | 90.0° | 60.1° |
| C21 | C09 | C07 | H8 | 90.0° | 60.0° |
| F02 | C23 | C26 | C24 | 90.0° | 179.9° |
| F02 | C23 | C22 | H4 | 90.0° | 0.1° |
| F02 | C23 | C26 | H6 | 90.0° | 0.0° |
| C23 | C26 | C24 | C21 | 90.0° | 0.1° |
| C23 | C26 | C24 | H6 | 90.0° | 179.9° |
| C26 | C23 | C22 | H4 | 90.0° | 179.7° |
| C23 | C26 | C24 | H5 | 90.0° | 179.9° |
| F01 | C21 | C24 | C26 | 90.0° | 180.0° |
| F01 | C21 | C24 | H5 | 90.0° | 0.0° |
| C21 | C24 | C26 | H5 | 90.0° | 180.0° |
| C21 | C24 | C26 | H6 | 90.0° | 180.0° |
| H1 | C15 | C20 | H3 | 90.0° | 0.0° |
| H2 | C17 | C19 | H12 | 90.0° | 0.3° |
| H5 | C24 | C26 | H6 | 90.0° | 0.0° |
| H10 | C16 | C18 | H11 | 90.0° | 0.3° |
| H13 | C25 | C27 | H15 | 90.0° | 60.0° |
| H13 | C25 | C27 | H16 | 90.0° | 180.0° |
| H13 | C25 | C27 | H17 | 90.0° | 60.0° |
| H14 | C25 | C27 | H15 | 90.0° | 180.0° |
| H14 | C25 | C27 | H16 | 90.0° | 60.0° |
| H14 | C25 | C27 | H17 | 90.0° | 60.1° |
| H15 | C27 | H16 | H17 | 90.0° | 119.9° |
