ZZK
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N01 | C02 | sing | 1.35Å | 1.45Å | |
| C02 | O03 | doub | 1.22Å | 1.19Å | |
| C02 | C04 | sing | 1.48Å | 1.53Å | |
| C04 | C05 | sing | 1.40Å | 1.40Å | Aromatic |
| C04 | C25 | doub | 1.40Å | 1.40Å | Aromatic |
| C05 | C06 | doub | 1.38Å | 1.40Å | Aromatic |
| C06 | C07 | sing | 1.40Å | 1.40Å | Aromatic |
| C07 | C08 | sing | 1.48Å | 1.39Å | Aromatic |
| C07 | C24 | doub | 1.40Å | 1.40Å | Aromatic |
| C08 | C09 | doub | 1.39Å | 1.38Å | Aromatic |
| C08 | C22 | sing | 1.40Å | 1.40Å | Aromatic |
| C09 | C10 | sing | 1.40Å | 1.38Å | Aromatic |
| C10 | C11 | sing | 1.48Å | 1.39Å | Aromatic |
| C10 | C20 | doub | 1.39Å | 1.40Å | Aromatic |
| C11 | C12 | sing | 1.39Å | 1.40Å | Aromatic |
| C11 | C19 | doub | 1.40Å | 1.41Å | Aromatic |
| C12 | C13 | doub | 1.38Å | 1.40Å | Aromatic |
| C13 | C14 | sing | 1.38Å | 1.40Å | Aromatic |
| C14 | C15 | doub | 1.39Å | 1.40Å | Aromatic |
| C15 | O16 | sing | 1.37Å | 1.44Å | |
| C15 | C19 | sing | 1.39Å | 1.41Å | Aromatic |
| O16 | C17 | sing | 1.44Å | 1.43Å | |
| C17 | O18 | sing | 1.44Å | 1.43Å | |
| O18 | C19 | sing | 1.36Å | 1.33Å | |
| C20 | N21 | sing | 1.32Å | 1.37Å | Aromatic |
| N21 | C22 | doub | 1.32Å | 1.37Å | Aromatic |
| C22 | N23 | sing | 1.39Å | 1.45Å | |
| C24 | C25 | sing | 1.38Å | 1.41Å | Aromatic |
| N01 | H011 | sing | 0.97Å | 1.00Å | |
| N01 | H012 | sing | 0.97Å | 1.00Å | |
| C05 | H05 | sing | 1.08Å | 1.08Å | |
| C25 | H25 | sing | 1.08Å | 1.08Å | |
| C06 | H06 | sing | 1.08Å | 1.08Å | |
| C24 | H24 | sing | 1.08Å | 1.08Å | |
| C09 | H09 | sing | 1.08Å | 1.08Å | |
| C20 | H20 | sing | 1.08Å | 1.08Å | |
| C12 | H12 | sing | 1.08Å | 1.08Å | |
| C13 | H13 | sing | 1.08Å | 1.08Å | |
| C14 | H14 | sing | 1.08Å | 1.08Å | |
| C17 | H171 | sing | 1.09Å | 1.10Å | |
| C17 | H172 | sing | 1.09Å | 1.10Å | |
| N23 | H231 | sing | 0.97Å | 1.00Å | |
| N23 | H232 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N01 | C02 | O03 | 119.2° | 120.0° |
| N01 | C02 | C04 | 118.6° | 120.0° |
| C02 | N01 | H011 | 111.0° | 120.0° |
| C02 | N01 | H012 | 124.5° | 120.0° |
| O03 | C02 | C04 | 122.2° | 120.0° |
| C02 | C04 | C05 | 119.2° | 120.0° |
| C02 | C04 | C25 | 121.3° | 120.0° |
| C05 | C04 | C25 | 119.4° | 120.0° |
| C04 | C05 | C06 | 120.1° | 119.9° |
| C04 | C05 | H05 | 119.9° | 120.0° |
| C04 | C25 | C24 | 120.3° | 120.0° |
| C04 | C25 | H25 | 119.8° | 120.0° |
| C05 | C06 | C07 | 120.6° | 120.1° |
| C06 | C05 | H05 | 119.9° | 120.1° |
| C05 | C06 | H06 | 119.7° | 120.0° |
| C06 | C07 | C08 | 119.1° | 120.0° |
| C06 | C07 | C24 | 119.2° | 120.0° |
| C07 | C06 | H06 | 119.7° | 120.0° |
| C08 | C07 | C24 | 121.7° | 120.0° |
| C07 | C08 | C09 | 120.0° | 120.5° |
| C07 | C08 | C22 | 121.0° | 120.6° |
| C07 | C24 | C25 | 120.3° | 120.1° |
| C07 | C24 | H24 | 119.9° | 120.0° |
| C09 | C08 | C22 | 119.0° | 118.9° |
| C08 | C09 | C10 | 121.2° | 118.3° |
| C08 | C09 | H09 | 119.4° | 120.8° |
| C08 | C22 | N21 | 120.0° | 120.7° |
| C08 | C22 | N23 | 120.7° | 119.6° |
| C09 | C10 | C11 | 120.4° | 120.4° |
| C09 | C10 | C20 | 119.1° | 119.3° |
| C10 | C09 | H09 | 119.4° | 120.9° |
| C11 | C10 | C20 | 120.5° | 120.3° |
| C10 | C11 | C12 | 118.8° | 120.1° |
| C10 | C11 | C19 | 121.6° | 120.1° |
| C10 | C20 | N21 | 120.0° | 120.9° |
| C10 | C20 | H20 | 120.0° | 119.6° |
| C12 | C11 | C19 | 119.4° | 119.8° |
| C11 | C12 | C13 | 120.8° | 120.0° |
| C11 | C12 | H12 | 119.6° | 120.0° |
| C11 | C19 | C15 | 119.9° | 119.7° |
| C11 | C19 | O18 | 131.5° | 131.6° |
| C12 | C13 | C14 | 119.6° | 120.2° |
| C13 | C12 | H12 | 119.6° | 120.0° |
| C12 | C13 | H13 | 120.2° | 119.9° |
| C13 | C14 | C15 | 120.3° | 120.3° |
| C14 | C13 | H13 | 120.2° | 119.8° |
| C13 | C14 | H14 | 119.9° | 119.8° |
| C14 | C15 | O16 | 131.7° | 131.5° |
| C14 | C15 | C19 | 120.1° | 119.9° |
| C15 | C14 | H14 | 119.9° | 119.8° |
| O16 | C15 | C19 | 108.2° | 108.6° |
| C15 | O16 | C17 | 106.0° | 105.5° |
| C15 | C19 | O18 | 108.6° | 108.7° |
| O16 | C17 | O18 | 105.7° | 103.7° |
| O16 | C17 | H171 | 110.8° | 110.6° |
| O16 | C17 | H172 | 111.6° | 110.6° |
| C17 | O18 | C19 | 110.7° | 105.5° |
| O18 | C17 | H171 | 110.7° | 110.6° |
| O18 | C17 | H172 | 111.5° | 110.5° |
| C20 | N21 | C22 | 120.8° | 121.9° |
| N21 | C20 | H20 | 120.0° | 119.5° |
| N21 | C22 | N23 | 119.3° | 119.7° |
| C22 | N23 | H231 | 109.5° | 120.1° |
| C22 | N23 | H232 | 109.5° | 120.0° |
| C24 | C25 | H25 | 119.9° | 120.0° |
| C25 | C24 | H24 | 119.9° | 119.9° |
| H011 | N01 | H012 | 124.5° | 120.0° |
| H171 | C17 | H172 | 106.6° | 110.6° |
| H231 | N23 | H232 | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N01 | C02 | O03 | C04 | 177.5° | 180.0° |
| N01 | C02 | C04 | C05 | 35.6° | 179.9° |
| N01 | C02 | C04 | C25 | 142.0° | 0.3° |
| C02 | N01 | H011 | H012 | 180.0° | 179.8° |
| O03 | C02 | C04 | C05 | 146.9° | 0.0° |
| O03 | C02 | C04 | C25 | 35.4° | 179.8° |
| O03 | C02 | N01 | H011 | 0.0° | 0.1° |
| O03 | C02 | N01 | H012 | 180.0° | 179.7° |
| C02 | C04 | C05 | C25 | 177.7° | 179.8° |
| C02 | C04 | C05 | C06 | 177.9° | 180.0° |
| C02 | C04 | C25 | C24 | 177.8° | 179.7° |
| C04 | C02 | N01 | H011 | 177.5° | 180.0° |
| C04 | C02 | N01 | H012 | 2.5° | 0.2° |
| C02 | C04 | C05 | H05 | 2.1° | 0.0° |
| C02 | C04 | C25 | H25 | 2.2° | 0.1° |
| C04 | C05 | C06 | H05 | 180.0° | 180.0° |
| C04 | C05 | C06 | C07 | 0.1° | 0.0° |
| C05 | C04 | C25 | C24 | 0.1° | 0.5° |
| C05 | C04 | C25 | H25 | 179.9° | 179.7° |
| C04 | C05 | C06 | H06 | 179.8° | 180.0° |
| C25 | C04 | C05 | C06 | 0.2° | 0.2° |
| C04 | C25 | C24 | C07 | 0.0° | 0.6° |
| C04 | C25 | C24 | H25 | 180.0° | 179.8° |
| C25 | C04 | C05 | H05 | 179.8° | 179.8° |
| C04 | C25 | C24 | H24 | 180.0° | 179.7° |
| C05 | C06 | C07 | H06 | 180.0° | 179.9° |
| C05 | C06 | C07 | C08 | 180.0° | 180.0° |
| C05 | C06 | C07 | C24 | 0.0° | 0.0° |
| C06 | C07 | C08 | C24 | 179.9° | 180.0° |
| C06 | C07 | C08 | C09 | 42.2° | 129.9° |
| C06 | C07 | C08 | C22 | 134.0° | 50.3° |
| C06 | C07 | C24 | C25 | 0.0° | 0.3° |
| C07 | C06 | C05 | H05 | 179.8° | 180.0° |
| C06 | C07 | C24 | H24 | 180.0° | 180.0° |
| C07 | C08 | C09 | C22 | 176.3° | 179.8° |
| C07 | C08 | C09 | C10 | 178.3° | 179.9° |
| C07 | C08 | C22 | N21 | 178.4° | 179.7° |
| C07 | C08 | C22 | N23 | 2.5° | 0.0° |
| C08 | C07 | C24 | C25 | 179.9° | 179.7° |
| C08 | C07 | C06 | H06 | 0.0° | 0.1° |
| C08 | C07 | C24 | H24 | 0.1° | 0.0° |
| C07 | C08 | C09 | H09 | 1.7° | 0.0° |
| C24 | C07 | C08 | C09 | 137.9° | 50.0° |
| C24 | C07 | C08 | C22 | 46.0° | 129.7° |
| C07 | C24 | C25 | H24 | 180.0° | 179.7° |
| C07 | C24 | C25 | H25 | 180.0° | 179.7° |
| C24 | C07 | C06 | H06 | 180.0° | 179.9° |
| C08 | C09 | C10 | H09 | 180.0° | 179.9° |
| C08 | C09 | C10 | C11 | 177.9° | 180.0° |
| C08 | C09 | C10 | C20 | 1.0° | 0.1° |
| C09 | C08 | C22 | N21 | 2.2° | 0.5° |
| C09 | C08 | C22 | N23 | 178.7° | 179.8° |
| C22 | C08 | C09 | C10 | 2.1° | 0.2° |
| C08 | C22 | N21 | C20 | 1.3° | 0.6° |
| C08 | C22 | N21 | N23 | 179.1° | 179.7° |
| C22 | C08 | C09 | H09 | 177.9° | 179.8° |
| C08 | C22 | N23 | H231 | 172.9° | 0.1° |
| C08 | C22 | N23 | H232 | 67.1° | 180.0° |
| C09 | C10 | C11 | C20 | 176.8° | 180.0° |
| C09 | C10 | C11 | C12 | 13.4° | 49.9° |
| C09 | C10 | C11 | C19 | 171.5° | 129.7° |
| C09 | C10 | C20 | N21 | 0.0° | 0.0° |
| C09 | C10 | C20 | H20 | 179.9° | 179.9° |
| C10 | C11 | C12 | C19 | 175.2° | 179.7° |
| C10 | C11 | C12 | C13 | 178.5° | 179.9° |
| C10 | C11 | C19 | C15 | 178.1° | 179.8° |
| C10 | C11 | C19 | O18 | 3.5° | 0.7° |
| C11 | C10 | C20 | N21 | 176.9° | 180.0° |
| C11 | C10 | C09 | H09 | 2.1° | 0.0° |
| C11 | C10 | C20 | H20 | 3.1° | 0.1° |
| C10 | C11 | C12 | H12 | 1.5° | 0.0° |
| C20 | C10 | C11 | C12 | 163.5° | 130.0° |
| C20 | C10 | C11 | C19 | 11.6° | 50.3° |
| C10 | C20 | N21 | H20 | 180.0° | 179.9° |
| C10 | C20 | N21 | C22 | 0.2° | 0.3° |
| C20 | C10 | C09 | H09 | 179.0° | 180.0° |
| C11 | C12 | C13 | H12 | 180.0° | 180.0° |
| C11 | C12 | C13 | C14 | 1.8° | 0.0° |
| C12 | C11 | C19 | C15 | 3.0° | 0.6° |
| C12 | C11 | C19 | O18 | 178.6° | 179.7° |
| C11 | C12 | C13 | H13 | 178.1° | 179.9° |
| C19 | C11 | C12 | C13 | 3.3° | 0.3° |
| C11 | C19 | C15 | C14 | 1.3° | 0.6° |
| C11 | C19 | C15 | O16 | 179.0° | 179.7° |
| C11 | C19 | C15 | O18 | 178.7° | 179.3° |
| C11 | C19 | O18 | C17 | 175.7° | 162.2° |
| C19 | C11 | C12 | H12 | 176.7° | 179.7° |
| C12 | C13 | C14 | H13 | 180.0° | 179.9° |
| C12 | C13 | C14 | C15 | 0.1° | 0.0° |
| C12 | C13 | C14 | H14 | 179.9° | 180.0° |
| C13 | C14 | C15 | H14 | 180.0° | 180.0° |
| C13 | C14 | C15 | O16 | 179.5° | 180.0° |
| C13 | C14 | C15 | C19 | 0.2° | 0.3° |
| C14 | C13 | C12 | H12 | 178.2° | 180.0° |
| C14 | C15 | O16 | C19 | 179.7° | 179.7° |
| C14 | C15 | O16 | C17 | 174.4° | 162.7° |
| C14 | C15 | C19 | O18 | 180.0° | 179.8° |
| C15 | C14 | C13 | H13 | 179.9° | 179.9° |
| C15 | O16 | C17 | O18 | 8.4° | 27.2° |
| O16 | C15 | C19 | O18 | 0.3° | 0.4° |
| O16 | C15 | C14 | H14 | 0.5° | 0.1° |
| C15 | O16 | C17 | H171 | 111.6° | 91.5° |
| C15 | O16 | C17 | H172 | 129.8° | 145.7° |
| C19 | C15 | O16 | C17 | 5.3° | 17.6° |
| C15 | C19 | O18 | C17 | 5.8° | 16.9° |
| C19 | C15 | C14 | H14 | 179.8° | 179.7° |
| O16 | C17 | O18 | H171 | 120.0° | 118.6° |
| O16 | C17 | O18 | H172 | 121.4° | 118.6° |
| O16 | C17 | O18 | C19 | 9.1° | 26.9° |
| O16 | C17 | H171 | H172 | 121.5° | 122.9° |
| O18 | C17 | H171 | H172 | 121.5° | 122.8° |
| C19 | O18 | C17 | H171 | 111.0° | 91.7° |
| C19 | O18 | C17 | H172 | 130.5° | 145.5° |
| C20 | N21 | C22 | N23 | 179.6° | 179.7° |
| C22 | N21 | C20 | H20 | 179.8° | 179.8° |
| N21 | C22 | N23 | H231 | 8.0° | 179.8° |
| N21 | C22 | N23 | H232 | 112.0° | 0.3° |
| C22 | N23 | H231 | H232 | 120.0° | 179.9° |
| H05 | C05 | C06 | H06 | 0.2° | 0.0° |
| H25 | C25 | C24 | H24 | 0.0° | 0.0° |
| H12 | C12 | C13 | H13 | 1.8° | 0.1° |
| H13 | C13 | C14 | H14 | 0.1° | 0.0° |
