6ZP
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C24 | C25 | doub | 1.38Å | 1.39Å | Aromatic |
| C24 | C23 | sing | 1.38Å | 1.39Å | Aromatic |
| C25 | C26 | sing | 1.38Å | 1.39Å | Aromatic |
| C23 | C22 | doub | 1.39Å | 1.39Å | Aromatic |
| N01 | C02 | trip | 1.14Å | 1.13Å | |
| C26 | C27 | doub | 1.38Å | 1.39Å | Aromatic |
| C02 | C03 | sing | 1.43Å | 1.53Å | |
| C22 | C27 | sing | 1.39Å | 1.39Å | Aromatic |
| C22 | N21 | sing | 1.40Å | 1.33Å | |
| O11 | C10 | doub | 1.22Å | 1.19Å | |
| C03 | C04 | doub | 1.39Å | 1.39Å | Aromatic |
| C03 | C08 | sing | 1.41Å | 1.39Å | Aromatic |
| C04 | C05 | sing | 1.38Å | 1.38Å | Aromatic |
| C10 | N21 | sing | 1.35Å | 1.35Å | |
| C10 | C09 | sing | 1.42Å | 1.40Å | |
| N21 | C20 | sing | 1.36Å | 1.32Å | |
| C08 | C09 | sing | 1.48Å | 1.39Å | |
| C08 | C07 | doub | 1.39Å | 1.38Å | Aromatic |
| C05 | C06 | doub | 1.39Å | 1.39Å | Aromatic |
| C09 | C12 | doub | 1.39Å | 1.39Å | |
| C20 | C13 | doub | 1.38Å | 1.37Å | |
| C13 | C12 | sing | 1.41Å | 1.37Å | |
| C13 | C14 | sing | 1.48Å | 1.39Å | |
| C07 | C06 | sing | 1.38Å | 1.39Å | Aromatic |
| C19 | C14 | doub | 1.39Å | 1.39Å | Aromatic |
| C19 | C18 | sing | 1.38Å | 1.39Å | Aromatic |
| C14 | N15 | sing | 1.33Å | 1.32Å | Aromatic |
| C18 | C17 | doub | 1.39Å | 1.38Å | Aromatic |
| N15 | C16 | doub | 1.32Å | 1.32Å | Aromatic |
| C17 | C16 | sing | 1.38Å | 1.39Å | Aromatic |
| C04 | H1 | sing | 1.08Å | 1.08Å | |
| C05 | H2 | sing | 1.08Å | 1.08Å | |
| C06 | H3 | sing | 1.08Å | 1.08Å | |
| C07 | H4 | sing | 1.08Å | 1.08Å | |
| C12 | H5 | sing | 1.08Å | 1.08Å | |
| C16 | H6 | sing | 1.08Å | 1.08Å | |
| C17 | H7 | sing | 1.08Å | 1.08Å | |
| C18 | H8 | sing | 1.08Å | 1.08Å | |
| C19 | H9 | sing | 1.08Å | 1.08Å | |
| C20 | H10 | sing | 1.08Å | 1.08Å | |
| C23 | H11 | sing | 1.08Å | 1.08Å | |
| C24 | H12 | sing | 1.08Å | 1.08Å | |
| C25 | H13 | sing | 1.08Å | 1.08Å | |
| C26 | H14 | sing | 1.08Å | 1.08Å | |
| C27 | H15 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C25 | C24 | C23 | 120.0° | 120.1° |
| C24 | C25 | C26 | 120.0° | 120.1° |
| C25 | C24 | H12 | 120.0° | 120.0° |
| C24 | C25 | H13 | 120.0° | 119.9° |
| C24 | C23 | C22 | 120.0° | 119.9° |
| C24 | C23 | H11 | 120.0° | 120.1° |
| C23 | C24 | H12 | 120.0° | 119.9° |
| C25 | C26 | C27 | 120.0° | 120.1° |
| C26 | C25 | H13 | 120.0° | 120.0° |
| C25 | C26 | H14 | 120.0° | 120.0° |
| C23 | C22 | C27 | 120.0° | 119.8° |
| C23 | C22 | N21 | 120.0° | 120.1° |
| C22 | C23 | H11 | 120.0° | 120.0° |
| N01 | C02 | C03 | 180.0° | 179.9° |
| C26 | C27 | C22 | 120.0° | 120.0° |
| C27 | C26 | H14 | 120.0° | 120.0° |
| C26 | C27 | H15 | 120.0° | 120.0° |
| C02 | C03 | C04 | 119.8° | 120.2° |
| C02 | C03 | C08 | 120.2° | 120.2° |
| C27 | C22 | N21 | 120.0° | 120.1° |
| C22 | C27 | H15 | 120.0° | 120.0° |
| C22 | N21 | C10 | 122.2° | 119.4° |
| C22 | N21 | C20 | 116.2° | 119.4° |
| O11 | C10 | N21 | 122.0° | 119.9° |
| O11 | C10 | C09 | 118.3° | 119.9° |
| C04 | C03 | C08 | 120.0° | 119.5° |
| C03 | C04 | C05 | 120.0° | 120.0° |
| C03 | C04 | H1 | 120.0° | 120.0° |
| C03 | C08 | C09 | 120.2° | 120.2° |
| C03 | C08 | C07 | 120.0° | 119.6° |
| C04 | C05 | C06 | 120.0° | 120.5° |
| C05 | C04 | H1 | 120.0° | 120.0° |
| C04 | C05 | H2 | 120.0° | 119.8° |
| N21 | C10 | C09 | 119.7° | 120.3° |
| C10 | N21 | C20 | 121.6° | 121.1° |
| C10 | C09 | C08 | 121.6° | 120.4° |
| C10 | C09 | C12 | 118.8° | 119.1° |
| N21 | C20 | C13 | 120.6° | 120.8° |
| N21 | C20 | H10 | 119.7° | 119.6° |
| C09 | C08 | C07 | 119.9° | 120.2° |
| C08 | C09 | C12 | 119.6° | 120.4° |
| C08 | C07 | C06 | 120.0° | 120.0° |
| C08 | C07 | H4 | 120.0° | 120.0° |
| C05 | C06 | C07 | 120.0° | 120.4° |
| C06 | C05 | H2 | 120.0° | 119.7° |
| C05 | C06 | H3 | 120.0° | 119.8° |
| C09 | C12 | C13 | 119.1° | 118.9° |
| C09 | C12 | H5 | 120.4° | 120.5° |
| C20 | C13 | C12 | 120.1° | 119.8° |
| C20 | C13 | C14 | 120.0° | 120.1° |
| C13 | C20 | H10 | 119.7° | 119.6° |
| C12 | C13 | C14 | 119.9° | 120.1° |
| C13 | C12 | H5 | 120.4° | 120.6° |
| C13 | C14 | C19 | 119.5° | 119.7° |
| C13 | C14 | N15 | 119.5° | 119.7° |
| C07 | C06 | H3 | 120.0° | 119.8° |
| C06 | C07 | H4 | 120.0° | 120.0° |
| C14 | C19 | C18 | 119.0° | 119.0° |
| C19 | C14 | N15 | 121.0° | 120.6° |
| C14 | C19 | H9 | 120.5° | 120.5° |
| C19 | C18 | C17 | 118.2° | 118.5° |
| C19 | C18 | H8 | 120.9° | 120.7° |
| C18 | C19 | H9 | 120.5° | 120.5° |
| C14 | N15 | C16 | 121.7° | 121.6° |
| C18 | C17 | C16 | 119.9° | 119.4° |
| C18 | C17 | H7 | 120.1° | 120.3° |
| C17 | C18 | H8 | 120.9° | 120.8° |
| N15 | C16 | C17 | 120.2° | 120.9° |
| N15 | C16 | H6 | 119.9° | 119.5° |
| C17 | C16 | H6 | 119.9° | 119.5° |
| C16 | C17 | H7 | 120.1° | 120.3° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C25 | C24 | C23 | H12 | 180.0° | 180.0° |
| C24 | C25 | C26 | H13 | 180.0° | 179.9° |
| C25 | C24 | C23 | C22 | 0.0° | 0.0° |
| C24 | C25 | C26 | C27 | 0.0° | 0.1° |
| C25 | C24 | C23 | H11 | 180.0° | 180.0° |
| C24 | C25 | C26 | H14 | 179.9° | 180.0° |
| C23 | C24 | C25 | C26 | 0.0° | 0.1° |
| C24 | C23 | C22 | H11 | 180.0° | 180.0° |
| C24 | C23 | C22 | C27 | 0.0° | 0.0° |
| C24 | C23 | C22 | N21 | 180.0° | 179.7° |
| C23 | C24 | C25 | H13 | 180.0° | 180.0° |
| C25 | C26 | C27 | H14 | 180.0° | 179.9° |
| C25 | C26 | C27 | C22 | 0.0° | 0.1° |
| C26 | C25 | C24 | H12 | 180.0° | 180.0° |
| C25 | C26 | C27 | H15 | 180.0° | 179.7° |
| C23 | C22 | C27 | C26 | 0.0° | 0.0° |
| C23 | C22 | C27 | N21 | 180.0° | 179.7° |
| C23 | C22 | N21 | C10 | 58.2° | 90.2° |
| C23 | C22 | N21 | C20 | 121.8° | 89.9° |
| C22 | C23 | C24 | H12 | 180.0° | 180.0° |
| C23 | C22 | C27 | H15 | 180.0° | 179.7° |
| N01 | C02 | C03 | C04 | 142.0° | 70.4° |
| N01 | C02 | C03 | C08 | 38.0° | 109.9° |
| C26 | C27 | C22 | H15 | 180.0° | 179.7° |
| C26 | C27 | C22 | N21 | 180.0° | 179.8° |
| C27 | C26 | C25 | H13 | 180.0° | 180.0° |
| C02 | C03 | C04 | C08 | 180.0° | 179.7° |
| C02 | C03 | C04 | C05 | 180.0° | 179.9° |
| C02 | C03 | C08 | C09 | 0.1° | 0.1° |
| C02 | C03 | C08 | C07 | 180.0° | 179.8° |
| C02 | C03 | C04 | H1 | 0.0° | 0.1° |
| C27 | C22 | N21 | C10 | 121.8° | 90.1° |
| C27 | C22 | N21 | C20 | 58.2° | 89.8° |
| C27 | C22 | C23 | H11 | 180.0° | 180.0° |
| C22 | C27 | C26 | H14 | 179.9° | 180.0° |
| C22 | N21 | C10 | O11 | 0.1° | 0.1° |
| C22 | N21 | C10 | C20 | 180.0° | 179.9° |
| C22 | N21 | C10 | C09 | 180.0° | 180.0° |
| C22 | N21 | C20 | C13 | 180.0° | 179.7° |
| C22 | N21 | C20 | H10 | 0.0° | 0.0° |
| N21 | C22 | C23 | H11 | 0.1° | 0.3° |
| N21 | C22 | C27 | H15 | 0.0° | 0.0° |
| O11 | C10 | N21 | C09 | 179.9° | 179.9° |
| O11 | C10 | N21 | C20 | 180.0° | 180.0° |
| O11 | C10 | C09 | C08 | 0.0° | 0.0° |
| O11 | C10 | C09 | C12 | 180.0° | 179.7° |
| C03 | C04 | C05 | H1 | 180.0° | 180.0° |
| C04 | C03 | C08 | C09 | 180.0° | 179.7° |
| C04 | C03 | C08 | C07 | 0.1° | 0.5° |
| C03 | C04 | C05 | C06 | 0.1° | 0.0° |
| C03 | C04 | C05 | H2 | 179.9° | 180.0° |
| C08 | C03 | C04 | C05 | 0.1° | 0.3° |
| C03 | C08 | C09 | C10 | 71.7° | 105.3° |
| C03 | C08 | C09 | C07 | 179.9° | 179.7° |
| C03 | C08 | C09 | C12 | 108.3° | 75.0° |
| C03 | C08 | C07 | C06 | 0.1° | 0.5° |
| C08 | C03 | C04 | H1 | 179.9° | 179.7° |
| C03 | C08 | C07 | H4 | 180.0° | 179.7° |
| C04 | C05 | C06 | H2 | 180.0° | 179.9° |
| C04 | C05 | C06 | C07 | 0.1° | 0.1° |
| C04 | C05 | C06 | H3 | 180.0° | 180.0° |
| N21 | C10 | C09 | C08 | 180.0° | 180.0° |
| N21 | C10 | C09 | C12 | 0.0° | 0.2° |
| C10 | N21 | C20 | C13 | 0.0° | 0.3° |
| C10 | N21 | C20 | H10 | 180.0° | 179.9° |
| C09 | C10 | N21 | C20 | 0.0° | 0.1° |
| C10 | C09 | C08 | C12 | 180.0° | 179.7° |
| C10 | C09 | C08 | C07 | 108.3° | 74.5° |
| C10 | C09 | C12 | C13 | 0.0° | 0.3° |
| C10 | C09 | C12 | H5 | 180.0° | 179.8° |
| N21 | C20 | C13 | H10 | 180.0° | 179.7° |
| N21 | C20 | C13 | C12 | 0.0° | 0.3° |
| N21 | C20 | C13 | C14 | 180.0° | 179.8° |
| C08 | C09 | C12 | C13 | 180.0° | 180.0° |
| C09 | C08 | C07 | C06 | 180.0° | 179.7° |
| C09 | C08 | C07 | H4 | 0.0° | 0.0° |
| C08 | C09 | C12 | H5 | 0.0° | 0.0° |
| C08 | C07 | C06 | C05 | 0.1° | 0.2° |
| C07 | C08 | C09 | C12 | 71.7° | 105.3° |
| C08 | C07 | C06 | H4 | 180.0° | 179.8° |
| C08 | C07 | C06 | H3 | 180.0° | 179.8° |
| C05 | C06 | C07 | H3 | 180.0° | 180.0° |
| C06 | C05 | C04 | H1 | 179.9° | 180.0° |
| C05 | C06 | C07 | H4 | 179.9° | 180.0° |
| C09 | C12 | C13 | C20 | 0.0° | 0.0° |
| C09 | C12 | C13 | H5 | 180.0° | 180.0° |
| C09 | C12 | C13 | C14 | 180.0° | 179.9° |
| C20 | C13 | C12 | C14 | 180.0° | 179.9° |
| C20 | C13 | C14 | C19 | 50.7° | 0.2° |
| C20 | C13 | C14 | N15 | 129.3° | 180.0° |
| C20 | C13 | C12 | H5 | 180.0° | 180.0° |
| C12 | C13 | C14 | C19 | 129.3° | 179.7° |
| C12 | C13 | C14 | N15 | 50.7° | 0.0° |
| C12 | C13 | C20 | H10 | 180.0° | 180.0° |
| C13 | C14 | C19 | N15 | 180.0° | 179.8° |
| C13 | C14 | C19 | C18 | 180.0° | 179.7° |
| C13 | C14 | N15 | C16 | 180.0° | 180.0° |
| C14 | C13 | C12 | H5 | 0.0° | 0.0° |
| C13 | C14 | C19 | H9 | 0.0° | 0.0° |
| C14 | C13 | C20 | H10 | 0.0° | 0.0° |
| C07 | C06 | C05 | H2 | 179.9° | 180.0° |
| C14 | C19 | C18 | H9 | 180.0° | 179.6° |
| C14 | C19 | C18 | C17 | 0.0° | 0.6° |
| C19 | C14 | N15 | C16 | 0.0° | 0.3° |
| C14 | C19 | C18 | H8 | 180.0° | 179.7° |
| C18 | C19 | C14 | N15 | 0.0° | 0.6° |
| C19 | C18 | C17 | H8 | 180.0° | 179.7° |
| C19 | C18 | C17 | C16 | 0.0° | 0.3° |
| C19 | C18 | C17 | H7 | 180.0° | 179.7° |
| C14 | N15 | C16 | C17 | 0.0° | 0.0° |
| C14 | N15 | C16 | H6 | 180.0° | 180.0° |
| N15 | C14 | C19 | H9 | 180.0° | 179.8° |
| C18 | C17 | C16 | N15 | 0.0° | 0.0° |
| C18 | C17 | C16 | H7 | 180.0° | 180.0° |
| C18 | C17 | C16 | H6 | 180.0° | 180.0° |
| C17 | C18 | C19 | H9 | 180.0° | 179.8° |
| N15 | C16 | C17 | H6 | 180.0° | 180.0° |
| N15 | C16 | C17 | H7 | 180.0° | 180.0° |
| C16 | C17 | C18 | H8 | 180.0° | 180.0° |
| H1 | C04 | C05 | H2 | 0.1° | 0.0° |
| H2 | C05 | C06 | H3 | 0.0° | 0.0° |
| H3 | C06 | C07 | H4 | 0.0° | 0.0° |
| H6 | C16 | C17 | H7 | 0.0° | 0.0° |
| H7 | C17 | C18 | H8 | 0.1° | 0.0° |
| H8 | C18 | C19 | H9 | 0.1° | 0.1° |
| H11 | C23 | C24 | H12 | 0.0° | 0.0° |
| H12 | C24 | C25 | H13 | 0.0° | 0.1° |
| H13 | C25 | C26 | H14 | 0.1° | 0.1° |
| H14 | C26 | C27 | H15 | 0.0° | 0.3° |
