5C4
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O01 | C02 | sing | 1.36Å | 1.41Å | |
| C03 | C02 | doub | 1.39Å | 1.38Å | Aromatic |
| C03 | C04 | sing | 1.38Å | 1.39Å | Aromatic |
| C02 | C30 | sing | 1.39Å | 1.39Å | Aromatic |
| C04 | C05 | doub | 1.40Å | 1.39Å | Aromatic |
| C30 | C29 | doub | 1.38Å | 1.39Å | Aromatic |
| C05 | C29 | sing | 1.40Å | 1.39Å | Aromatic |
| C05 | C06 | sing | 1.48Å | 1.52Å | |
| C06 | C07 | sing | 1.48Å | 1.51Å | |
| C06 | C14 | doub | 1.36Å | 1.36Å | |
| C07 | C13 | doub | 1.40Å | 1.39Å | Aromatic |
| C07 | C08 | sing | 1.40Å | 1.38Å | Aromatic |
| C13 | C12 | sing | 1.38Å | 1.38Å | Aromatic |
| C08 | C09 | doub | 1.38Å | 1.39Å | Aromatic |
| C12 | C10 | doub | 1.39Å | 1.38Å | Aromatic |
| C09 | C10 | sing | 1.39Å | 1.39Å | Aromatic |
| C10 | O11 | sing | 1.36Å | 1.40Å | |
| C28 | C14 | sing | 1.51Å | 1.51Å | |
| C14 | C15 | sing | 1.47Å | 1.52Å | |
| C15 | C27 | doub | 1.40Å | 1.39Å | Aromatic |
| C15 | C16 | sing | 1.40Å | 1.39Å | Aromatic |
| C27 | C19 | sing | 1.39Å | 1.39Å | Aromatic |
| C16 | C17 | doub | 1.38Å | 1.39Å | Aromatic |
| C19 | N20 | sing | 1.40Å | 1.42Å | |
| C19 | C18 | doub | 1.39Å | 1.39Å | Aromatic |
| C17 | C18 | sing | 1.38Å | 1.39Å | Aromatic |
| N20 | C21 | sing | 1.40Å | 1.42Å | |
| C26 | C21 | doub | 1.39Å | 1.39Å | Aromatic |
| C26 | C25 | sing | 1.38Å | 1.39Å | Aromatic |
| C21 | C22 | sing | 1.39Å | 1.39Å | Aromatic |
| C25 | C24 | doub | 1.38Å | 1.39Å | Aromatic |
| C22 | C23 | doub | 1.38Å | 1.39Å | Aromatic |
| C24 | C23 | sing | 1.38Å | 1.39Å | Aromatic |
| O01 | H1 | sing | 0.97Å | 0.95Å | |
| C03 | H2 | sing | 1.08Å | 1.08Å | |
| C04 | H3 | sing | 1.08Å | 1.08Å | |
| C08 | H5 | sing | 1.08Å | 1.08Å | |
| C09 | H6 | sing | 1.08Å | 1.08Å | |
| O11 | H7 | sing | 0.97Å | 0.95Å | |
| C12 | H8 | sing | 1.08Å | 1.08Å | |
| C13 | H9 | sing | 1.08Å | 1.08Å | |
| C16 | H11 | sing | 1.08Å | 1.08Å | |
| C17 | H12 | sing | 1.08Å | 1.08Å | |
| C18 | H13 | sing | 1.08Å | 1.08Å | |
| N20 | H14 | sing | 0.97Å | 1.00Å | |
| C22 | H15 | sing | 1.08Å | 1.08Å | |
| C23 | H16 | sing | 1.08Å | 1.08Å | |
| C24 | H17 | sing | 1.08Å | 1.08Å | |
| C25 | H18 | sing | 1.08Å | 1.08Å | |
| C26 | H19 | sing | 1.08Å | 1.08Å | |
| C27 | H20 | sing | 1.08Å | 1.08Å | |
| C28 | H21 | sing | 1.09Å | 1.10Å | |
| C28 | H22 | sing | 1.09Å | 1.10Å | |
| C28 | H23 | sing | 1.09Å | 1.10Å | |
| C29 | H24 | sing | 1.08Å | 1.08Å | |
| C30 | H25 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O01 | C02 | C03 | 119.8° | 120.0° |
| O01 | C02 | C30 | 120.3° | 119.8° |
| C02 | O01 | H1 | 109.5° | 114.0° |
| C02 | C03 | C04 | 119.8° | 120.1° |
| C03 | C02 | C30 | 119.9° | 120.2° |
| C02 | C03 | H2 | 120.1° | 120.0° |
| C03 | C04 | C05 | 120.5° | 120.0° |
| C04 | C03 | H2 | 120.1° | 120.0° |
| C03 | C04 | H3 | 119.7° | 120.0° |
| C02 | C30 | C29 | 120.2° | 120.0° |
| C02 | C30 | H25 | 119.9° | 120.0° |
| C04 | C05 | C29 | 119.6° | 119.8° |
| C04 | C05 | C06 | 118.5° | 120.1° |
| C05 | C04 | H3 | 119.7° | 120.1° |
| C30 | C29 | C05 | 120.0° | 120.0° |
| C30 | C29 | H24 | 120.0° | 120.0° |
| C29 | C30 | H25 | 119.9° | 120.0° |
| C29 | C05 | C06 | 121.9° | 120.1° |
| C05 | C29 | H24 | 120.0° | 120.0° |
| C05 | C06 | C07 | 117.1° | 120.0° |
| C05 | C06 | C14 | 122.6° | 120.0° |
| C07 | C06 | C14 | 120.3° | 120.0° |
| C06 | C07 | C13 | 119.2° | 120.1° |
| C06 | C07 | C08 | 120.6° | 120.1° |
| C06 | C14 | C28 | 120.6° | 120.0° |
| C06 | C14 | C15 | 120.1° | 120.0° |
| C13 | C07 | C08 | 120.2° | 119.9° |
| C07 | C13 | C12 | 120.1° | 119.9° |
| C07 | C13 | H9 | 120.0° | 120.0° |
| C07 | C08 | C09 | 119.7° | 119.9° |
| C07 | C08 | H5 | 120.1° | 120.1° |
| C13 | C12 | C10 | 119.9° | 120.1° |
| C13 | C12 | H8 | 120.0° | 119.9° |
| C12 | C13 | H9 | 120.0° | 120.1° |
| C08 | C09 | C10 | 120.0° | 120.1° |
| C09 | C08 | H5 | 120.1° | 120.0° |
| C08 | C09 | H6 | 120.0° | 119.9° |
| C12 | C10 | C09 | 120.2° | 120.1° |
| C12 | C10 | O11 | 119.9° | 119.9° |
| C10 | C12 | H8 | 120.1° | 120.0° |
| C09 | C10 | O11 | 119.9° | 120.0° |
| C10 | C09 | H6 | 120.0° | 119.9° |
| C10 | O11 | H7 | 109.5° | 114.0° |
| C28 | C14 | C15 | 118.7° | 120.1° |
| C14 | C28 | H21 | 109.5° | 109.5° |
| C14 | C28 | H22 | 109.5° | 109.5° |
| C14 | C28 | H23 | 109.5° | 109.5° |
| C14 | C15 | C27 | 120.1° | 120.2° |
| C14 | C15 | C16 | 120.2° | 120.1° |
| C27 | C15 | C16 | 119.7° | 119.7° |
| C15 | C27 | C19 | 120.2° | 119.8° |
| C15 | C27 | H20 | 119.9° | 120.1° |
| C15 | C16 | C17 | 120.2° | 119.9° |
| C15 | C16 | H11 | 119.9° | 120.0° |
| C27 | C19 | N20 | 119.8° | 120.0° |
| C27 | C19 | C18 | 119.9° | 120.0° |
| C19 | C27 | H20 | 119.9° | 120.1° |
| C16 | C17 | C18 | 120.1° | 120.3° |
| C17 | C16 | H11 | 119.9° | 120.1° |
| C16 | C17 | H12 | 119.9° | 119.8° |
| N20 | C19 | C18 | 120.3° | 120.0° |
| C19 | N20 | C21 | 122.2° | 120.0° |
| C19 | N20 | H14 | 118.9° | 120.0° |
| C19 | C18 | C17 | 120.0° | 120.3° |
| C19 | C18 | H13 | 120.0° | 119.8° |
| C18 | C17 | H12 | 120.0° | 119.9° |
| C17 | C18 | H13 | 120.0° | 119.9° |
| N20 | C21 | C26 | 120.7° | 120.0° |
| N20 | C21 | C22 | 119.6° | 120.1° |
| C21 | N20 | H14 | 118.9° | 120.0° |
| C21 | C26 | C25 | 120.2° | 119.9° |
| C26 | C21 | C22 | 119.7° | 119.9° |
| C21 | C26 | H19 | 119.9° | 120.1° |
| C26 | C25 | C24 | 120.0° | 120.1° |
| C26 | C25 | H18 | 120.0° | 120.0° |
| C25 | C26 | H19 | 119.9° | 120.0° |
| C21 | C22 | C23 | 120.1° | 119.9° |
| C21 | C22 | H15 | 119.9° | 120.0° |
| C25 | C24 | C23 | 119.9° | 120.1° |
| C25 | C24 | H17 | 120.0° | 119.9° |
| C24 | C25 | H18 | 120.0° | 120.0° |
| C22 | C23 | C24 | 120.1° | 120.1° |
| C23 | C22 | H15 | 120.0° | 120.1° |
| C22 | C23 | H16 | 120.0° | 119.9° |
| C24 | C23 | H16 | 119.9° | 120.0° |
| C23 | C24 | H17 | 120.0° | 119.9° |
| H21 | C28 | H22 | 109.5° | 109.4° |
| H21 | C28 | H23 | 109.5° | 109.5° |
| H22 | C28 | H23 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O01 | C02 | C03 | C30 | 179.9° | 179.7° |
| O01 | C02 | C03 | C04 | 180.0° | 180.0° |
| O01 | C02 | C30 | C29 | 179.9° | 179.8° |
| O01 | C02 | C03 | H2 | 0.0° | 0.1° |
| O01 | C02 | C30 | H25 | 0.1° | 0.0° |
| C02 | C03 | C04 | H2 | 180.0° | 179.9° |
| C02 | C03 | C04 | C05 | 0.3° | 0.1° |
| C03 | C02 | C30 | C29 | 0.2° | 0.5° |
| C03 | C02 | O01 | H1 | 180.0° | 89.6° |
| C02 | C03 | C04 | H3 | 179.7° | 179.9° |
| C03 | C02 | C30 | H25 | 179.8° | 179.7° |
| C04 | C03 | C02 | C30 | 0.1° | 0.3° |
| C03 | C04 | C05 | H3 | 180.0° | 180.0° |
| C03 | C04 | C05 | C29 | 0.6° | 0.0° |
| C03 | C04 | C05 | C06 | 179.7° | 180.0° |
| C02 | C30 | C29 | H25 | 180.0° | 179.8° |
| C02 | C30 | C29 | C05 | 0.5° | 0.5° |
| C30 | C02 | O01 | H1 | 0.1° | 90.1° |
| C30 | C02 | C03 | H2 | 179.9° | 179.8° |
| C02 | C30 | C29 | H24 | 179.5° | 179.7° |
| C04 | C05 | C29 | C30 | 0.7° | 0.2° |
| C04 | C05 | C29 | C06 | 179.0° | 180.0° |
| C04 | C05 | C06 | C07 | 35.7° | 65.0° |
| C04 | C05 | C06 | C14 | 143.9° | 115.0° |
| C05 | C04 | C03 | H2 | 179.7° | 179.9° |
| C04 | C05 | C29 | H24 | 179.3° | 180.0° |
| C30 | C29 | C05 | H24 | 180.0° | 179.8° |
| C30 | C29 | C05 | C06 | 179.8° | 179.7° |
| C29 | C05 | C06 | C07 | 143.4° | 115.0° |
| C29 | C05 | C06 | C14 | 37.0° | 65.0° |
| C29 | C05 | C04 | H3 | 179.4° | 180.0° |
| C05 | C29 | C30 | H25 | 179.5° | 179.7° |
| C05 | C06 | C07 | C14 | 179.6° | 179.9° |
| C05 | C06 | C07 | C13 | 56.4° | 65.0° |
| C05 | C06 | C07 | C08 | 123.1° | 115.3° |
| C05 | C06 | C14 | C28 | 24.1° | 0.1° |
| C05 | C06 | C14 | C15 | 164.5° | 180.0° |
| C06 | C05 | C04 | H3 | 0.3° | 0.1° |
| C06 | C05 | C29 | H24 | 0.2° | 0.1° |
| C06 | C07 | C13 | C08 | 179.4° | 179.7° |
| C06 | C07 | C13 | C12 | 179.8° | 179.8° |
| C06 | C07 | C08 | C09 | 179.8° | 180.0° |
| C07 | C06 | C14 | C28 | 155.5° | 180.0° |
| C07 | C06 | C14 | C15 | 16.0° | 0.0° |
| C06 | C07 | C08 | H5 | 0.2° | 0.1° |
| C06 | C07 | C13 | H9 | 0.1° | 0.0° |
| C14 | C06 | C07 | C13 | 124.0° | 115.0° |
| C14 | C06 | C07 | C08 | 56.5° | 64.7° |
| C06 | C14 | C28 | C15 | 171.5° | 180.0° |
| C06 | C14 | C15 | C27 | 129.5° | 115.1° |
| C06 | C14 | C15 | C16 | 50.5° | 64.7° |
| C06 | C14 | C28 | H21 | 180.0° | 90.0° |
| C06 | C14 | C28 | H22 | 60.0° | 150.1° |
| C06 | C14 | C28 | H23 | 60.0° | 30.0° |
| C07 | C13 | C12 | H9 | 180.0° | 179.8° |
| C13 | C07 | C08 | C09 | 0.4° | 0.3° |
| C07 | C13 | C12 | C10 | 0.2° | 0.5° |
| C13 | C07 | C08 | H5 | 179.7° | 179.8° |
| C07 | C13 | C12 | H8 | 179.8° | 179.8° |
| C08 | C07 | C13 | C12 | 0.4° | 0.5° |
| C07 | C08 | C09 | H5 | 180.0° | 179.9° |
| C07 | C08 | C09 | C10 | 0.2° | 0.0° |
| C07 | C08 | C09 | H6 | 179.8° | 180.0° |
| C08 | C07 | C13 | H9 | 179.6° | 179.7° |
| C13 | C12 | C10 | H8 | 180.0° | 179.7° |
| C13 | C12 | C10 | C09 | 0.1° | 0.2° |
| C13 | C12 | C10 | O11 | 180.0° | 179.8° |
| C08 | C09 | C10 | C12 | 0.1° | 0.0° |
| C08 | C09 | C10 | H6 | 180.0° | 180.0° |
| C08 | C09 | C10 | O11 | 180.0° | 180.0° |
| C12 | C10 | C09 | O11 | 179.9° | 180.0° |
| C12 | C10 | C09 | H6 | 179.9° | 180.0° |
| C12 | C10 | O11 | H7 | 180.0° | 90.0° |
| C10 | C12 | C13 | H9 | 179.7° | 179.8° |
| C10 | C09 | C08 | H5 | 179.8° | 180.0° |
| C09 | C10 | O11 | H7 | 0.0° | 90.0° |
| C09 | C10 | C12 | H8 | 179.9° | 180.0° |
| O11 | C10 | C09 | H6 | 0.0° | 0.0° |
| O11 | C10 | C12 | H8 | 0.0° | 0.1° |
| C28 | C14 | C15 | C27 | 42.0° | 64.9° |
| C28 | C14 | C15 | C16 | 137.9° | 115.2° |
| C14 | C28 | H21 | H22 | 120.0° | 119.9° |
| C14 | C28 | H21 | H23 | 120.0° | 120.1° |
| C14 | C28 | H22 | H23 | 120.0° | 120.1° |
| C14 | C15 | C27 | C16 | 179.9° | 179.8° |
| C14 | C15 | C27 | C19 | 180.0° | 179.7° |
| C14 | C15 | C16 | C17 | 180.0° | 180.0° |
| C14 | C15 | C16 | H11 | 0.0° | 0.0° |
| C14 | C15 | C27 | H20 | 0.0° | 0.1° |
| C15 | C14 | C28 | H21 | 8.5° | 90.0° |
| C15 | C14 | C28 | H22 | 128.5° | 29.9° |
| C15 | C14 | C28 | H23 | 111.5° | 150.0° |
| C15 | C27 | C19 | H20 | 180.0° | 179.8° |
| C27 | C15 | C16 | C17 | 0.0° | 0.2° |
| C15 | C27 | C19 | N20 | 179.8° | 179.8° |
| C15 | C27 | C19 | C18 | 0.2° | 0.5° |
| C27 | C15 | C16 | H11 | 180.0° | 179.8° |
| C16 | C15 | C27 | C19 | 0.1° | 0.5° |
| C15 | C16 | C17 | H11 | 180.0° | 180.0° |
| C15 | C16 | C17 | C18 | 0.1° | 0.1° |
| C15 | C16 | C17 | H12 | 179.9° | 180.0° |
| C16 | C15 | C27 | H20 | 179.9° | 179.7° |
| C27 | C19 | N20 | C18 | 179.6° | 179.7° |
| C27 | C19 | C18 | C17 | 0.3° | 0.2° |
| C27 | C19 | N20 | C21 | 137.3° | 148.0° |
| C27 | C19 | C18 | H13 | 179.7° | 179.7° |
| C27 | C19 | N20 | H14 | 42.7° | 32.1° |
| C16 | C17 | C18 | C19 | 0.3° | 0.1° |
| C16 | C17 | C18 | H12 | 180.0° | 179.9° |
| C16 | C17 | C18 | H13 | 179.7° | 180.0° |
| N20 | C19 | C18 | C17 | 179.9° | 179.9° |
| C19 | N20 | C21 | H14 | 180.0° | 180.0° |
| C19 | N20 | C21 | C26 | 25.7° | 25.4° |
| C19 | N20 | C21 | C22 | 154.8° | 154.9° |
| N20 | C19 | C18 | H13 | 0.1° | 0.0° |
| N20 | C19 | C27 | H20 | 0.2° | 0.0° |
| C19 | C18 | C17 | H13 | 180.0° | 179.9° |
| C18 | C19 | N20 | C21 | 43.1° | 32.3° |
| C19 | C18 | C17 | H12 | 179.7° | 180.0° |
| C18 | C19 | N20 | H14 | 136.9° | 147.7° |
| C18 | C19 | C27 | H20 | 179.8° | 179.7° |
| C18 | C17 | C16 | H11 | 179.9° | 179.9° |
| N20 | C21 | C26 | C22 | 179.5° | 179.7° |
| N20 | C21 | C26 | C25 | 179.8° | 179.8° |
| N20 | C21 | C22 | C23 | 179.8° | 180.0° |
| N20 | C21 | C22 | H15 | 0.2° | 0.0° |
| N20 | C21 | C26 | H19 | 0.2° | 0.0° |
| C21 | C26 | C25 | H19 | 180.0° | 179.8° |
| C21 | C26 | C25 | C24 | 0.2° | 0.5° |
| C26 | C21 | C22 | C23 | 0.3° | 0.3° |
| C26 | C21 | N20 | H14 | 154.3° | 154.6° |
| C26 | C21 | C22 | H15 | 179.7° | 179.8° |
| C21 | C26 | C25 | H18 | 179.8° | 179.7° |
| C25 | C26 | C21 | C22 | 0.4° | 0.5° |
| C26 | C25 | C24 | H18 | 180.0° | 179.8° |
| C26 | C25 | C24 | C23 | 0.1° | 0.2° |
| C26 | C25 | C24 | H17 | 179.9° | 179.8° |
| C21 | C22 | C23 | H15 | 180.0° | 180.0° |
| C21 | C22 | C23 | C24 | 0.2° | 0.0° |
| C22 | C21 | N20 | H14 | 25.1° | 25.1° |
| C21 | C22 | C23 | H16 | 179.8° | 180.0° |
| C22 | C21 | C26 | H19 | 179.6° | 179.7° |
| C25 | C24 | C23 | C22 | 0.0° | 0.0° |
| C25 | C24 | C23 | H17 | 180.0° | 180.0° |
| C25 | C24 | C23 | H16 | 180.0° | 180.0° |
| C24 | C25 | C26 | H19 | 179.8° | 179.7° |
| C22 | C23 | C24 | H16 | 180.0° | 180.0° |
| C22 | C23 | C24 | H17 | 180.0° | 180.0° |
| C24 | C23 | C22 | H15 | 179.8° | 180.0° |
| C23 | C24 | C25 | H18 | 179.9° | 180.0° |
| H2 | C03 | C04 | H3 | 0.3° | 0.0° |
| H5 | C08 | C09 | H6 | 0.2° | 0.0° |
| H8 | C12 | C13 | H9 | 0.3° | 0.0° |
| H11 | C16 | C17 | H12 | 0.2° | 0.0° |
| H12 | C17 | C18 | H13 | 0.3° | 0.1° |
| H15 | C22 | C23 | H16 | 0.2° | 0.0° |
| H16 | C23 | C24 | H17 | 0.0° | 0.0° |
| H17 | C24 | C25 | H18 | 0.1° | 0.0° |
| H18 | C25 | C26 | H19 | 0.2° | 0.1° |
| H21 | C28 | H22 | H23 | 120.0° | 120.0° |
| H24 | C29 | C30 | H25 | 0.5° | 0.1° |
