7FD
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C05 | C06 | doub | 1.38Å | 1.43Å | Aromatic |
| C05 | C02 | sing | 1.39Å | 1.40Å | Aromatic |
| O01 | C02 | sing | 1.36Å | 1.39Å | |
| C06 | C07 | sing | 1.40Å | 1.39Å | Aromatic |
| C13 | C12 | sing | 1.47Å | 1.53Å | |
| C20 | C21 | doub | 1.37Å | 1.40Å | Aromatic |
| C20 | C12 | sing | 1.40Å | 1.37Å | Aromatic |
| C02 | C03 | doub | 1.39Å | 1.39Å | Aromatic |
| C21 | C09 | sing | 1.40Å | 1.38Å | Aromatic |
| C12 | C11 | doub | 1.40Å | 1.39Å | Aromatic |
| C07 | C08 | sing | 1.48Å | 1.58Å | |
| C07 | C04 | doub | 1.39Å | 1.41Å | Aromatic |
| C09 | C08 | sing | 1.48Å | 1.51Å | |
| C09 | C10 | doub | 1.40Å | 1.37Å | Aromatic |
| C11 | C10 | sing | 1.37Å | 1.39Å | Aromatic |
| C03 | C04 | sing | 1.38Å | 1.41Å | Aromatic |
| C08 | C22 | doub | 1.34Å | 1.45Å | |
| C26 | C27 | sing | 1.54Å | 1.52Å | |
| C26 | C25 | sing | 1.53Å | 1.46Å | |
| C22 | C27 | sing | 1.51Å | 1.58Å | |
| C22 | C23 | sing | 1.51Å | 1.61Å | |
| C24 | C25 | sing | 1.53Å | 1.45Å | |
| C24 | C23 | sing | 1.53Å | 1.50Å | |
| O01 | H1 | sing | 0.97Å | 0.95Å | |
| C03 | H2 | sing | 1.08Å | 1.08Å | |
| C04 | H3 | sing | 1.08Å | 1.08Å | |
| C05 | H4 | sing | 1.08Å | 1.08Å | |
| C06 | H5 | sing | 1.08Å | 1.08Å | |
| C10 | H7 | sing | 1.08Å | 1.08Å | |
| C11 | H8 | sing | 1.08Å | 1.08Å | |
| C13 | H9 | sing | 1.08Å | 1.08Å | |
| C20 | H12 | sing | 1.08Å | 1.08Å | |
| C21 | H13 | sing | 1.08Å | 1.08Å | |
| C23 | H15 | sing | 1.09Å | 1.10Å | |
| C23 | H16 | sing | 1.09Å | 1.10Å | |
| C24 | H17 | sing | 1.09Å | 1.10Å | |
| C24 | H18 | sing | 1.09Å | 1.10Å | |
| C25 | H19 | sing | 1.09Å | 1.10Å | |
| C25 | H20 | sing | 1.09Å | 1.10Å | |
| C26 | H21 | sing | 1.09Å | 1.10Å | |
| C26 | H22 | sing | 1.09Å | 1.10Å | |
| C27 | H23 | sing | 1.09Å | 1.10Å | |
| C27 | H24 | sing | 1.09Å | 1.10Å | |
| C13 | C1 | doub | 1.35Å | 21.12Å | |
| C1 | C2 | sing | 1.46Å | 0.00Å | |
| C2 | O1 | doub | 1.22Å | 0.00Å | |
| C2 | O2 | sing | 1.35Å | 0.00Å | |
| O2 | C5 | sing | 1.43Å | 0.00Å | |
| C5 | C6 | sing | 1.53Å | 0.00Å | |
| C1 | H6 | sing | 1.08Å | 0.00Å | |
| C5 | H10 | sing | 1.09Å | 0.00Å | |
| C5 | H11 | sing | 1.09Å | 0.00Å | |
| C6 | H14 | sing | 1.09Å | 0.00Å | |
| C6 | H25 | sing | 1.09Å | 0.00Å | |
| C6 | H26 | sing | 1.09Å | 0.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C06 | C05 | C02 | 120.1° | 120.1° |
| C05 | C06 | C07 | 119.8° | 119.9° |
| C06 | C05 | H4 | 120.0° | 120.0° |
| C05 | C06 | H5 | 120.1° | 120.1° |
| C05 | C02 | O01 | 120.4° | 120.0° |
| C05 | C02 | C03 | 120.2° | 120.2° |
| C02 | C05 | H4 | 119.9° | 120.0° |
| O01 | C02 | C03 | 119.4° | 119.9° |
| C02 | O01 | H1 | 109.5° | 114.0° |
| C06 | C07 | C08 | 121.4° | 120.0° |
| C06 | C07 | C04 | 119.8° | 119.9° |
| C07 | C06 | H5 | 120.1° | 120.0° |
| C13 | C12 | C20 | 120.1° | 120.0° |
| C13 | C12 | C11 | 120.0° | 120.0° |
| C12 | C13 | H9 | 129.0° | 120.0° |
| C12 | C13 | C1 | 101.9° | 120.0° |
| C21 | C20 | C12 | 120.0° | 120.0° |
| C20 | C21 | C09 | 120.1° | 120.1° |
| C21 | C20 | H12 | 120.0° | 120.0° |
| C20 | C21 | H13 | 119.9° | 120.0° |
| C20 | C12 | C11 | 119.9° | 119.9° |
| C12 | C20 | H12 | 120.0° | 120.0° |
| C02 | C03 | C04 | 119.7° | 120.0° |
| C02 | C03 | H2 | 120.1° | 120.0° |
| C21 | C09 | C08 | 119.4° | 120.0° |
| C21 | C09 | C10 | 120.0° | 120.1° |
| C09 | C21 | H13 | 119.9° | 119.9° |
| C12 | C11 | C10 | 120.0° | 119.9° |
| C12 | C11 | H8 | 120.0° | 120.0° |
| C08 | C07 | C04 | 118.9° | 120.1° |
| C07 | C08 | C09 | 97.5° | 120.0° |
| C07 | C08 | C22 | 111.7° | 120.0° |
| C07 | C04 | C03 | 120.4° | 119.9° |
| C07 | C04 | H3 | 119.8° | 120.1° |
| C08 | C09 | C10 | 120.6° | 120.0° |
| C09 | C08 | C22 | 112.4° | 120.0° |
| C09 | C10 | C11 | 120.1° | 120.1° |
| C09 | C10 | H7 | 119.9° | 120.0° |
| C11 | C10 | H7 | 120.0° | 119.9° |
| C10 | C11 | H8 | 120.0° | 120.0° |
| C04 | C03 | H2 | 120.1° | 120.0° |
| C03 | C04 | H3 | 119.8° | 120.0° |
| C08 | C22 | C27 | 108.9° | 120.8° |
| C08 | C22 | C23 | 109.5° | 120.9° |
| C27 | C26 | C25 | 111.6° | 109.3° |
| C26 | C27 | C22 | 112.0° | 108.3° |
| C27 | C26 | H21 | 108.9° | 109.5° |
| C27 | C26 | H22 | 108.9° | 109.4° |
| C26 | C27 | H23 | 108.8° | 109.8° |
| C26 | C27 | H24 | 108.8° | 109.7° |
| C26 | C25 | C24 | 112.7° | 109.8° |
| C26 | C25 | H19 | 108.7° | 109.4° |
| C26 | C25 | H20 | 108.7° | 109.4° |
| C25 | C26 | H21 | 108.9° | 109.7° |
| C25 | C26 | H22 | 108.9° | 109.3° |
| C27 | C22 | C23 | 105.5° | 118.3° |
| C22 | C27 | H23 | 108.8° | 109.6° |
| C22 | C27 | H24 | 108.8° | 109.6° |
| C22 | C23 | C24 | 112.5° | 108.5° |
| C22 | C23 | H15 | 108.7° | 109.6° |
| C22 | C23 | H16 | 108.7° | 109.6° |
| C25 | C24 | C23 | 112.1° | 109.4° |
| C25 | C24 | H17 | 108.8° | 109.5° |
| C25 | C24 | H18 | 108.8° | 109.5° |
| C24 | C25 | H19 | 108.7° | 109.4° |
| C24 | C25 | H20 | 108.6° | 109.4° |
| C24 | C23 | H15 | 108.7° | 109.6° |
| C24 | C23 | H16 | 108.7° | 109.8° |
| C23 | C24 | H17 | 108.8° | 109.5° |
| C23 | C24 | H18 | 108.8° | 109.5° |
| H9 | C13 | C1 | 129.1° | 119.9° |
| H15 | C23 | H16 | 109.4° | 109.6° |
| H17 | C24 | H18 | 109.5° | 109.5° |
| H19 | C25 | H20 | 109.5° | 109.4° |
| H21 | C26 | H22 | 109.5° | 109.5° |
| H23 | C27 | H24 | 109.5° | 109.8° |
| C13 | C1 | C2 | 90.0° | 120.0° |
| C13 | C1 | H6 | 90.0° | 120.0° |
| C1 | C2 | O1 | 90.0° | 120.0° |
| C1 | C2 | O2 | 90.0° | 120.0° |
| C2 | C1 | H6 | 90.0° | 120.0° |
| O1 | C2 | O2 | 90.0° | 120.0° |
| C2 | O2 | C5 | 90.0° | 117.0° |
| O2 | C5 | C6 | 90.0° | 109.5° |
| O2 | C5 | H10 | 90.0° | 109.5° |
| O2 | C5 | H11 | 90.0° | 109.5° |
| C6 | C5 | H10 | 90.0° | 109.5° |
| C6 | C5 | H11 | 90.0° | 109.5° |
| C5 | C6 | H14 | 90.0° | 109.5° |
| C5 | C6 | H25 | 90.0° | 109.5° |
| C5 | C6 | H26 | 90.0° | 109.5° |
| H10 | C5 | H11 | 90.0° | 109.4° |
| H14 | C6 | H25 | 90.0° | 109.4° |
| H14 | C6 | H26 | 90.0° | 109.4° |
| H25 | C6 | H26 | 90.0° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C06 | C05 | C02 | H4 | 180.0° | 180.0° |
| C06 | C05 | C02 | O01 | 179.9° | 180.0° |
| C05 | C06 | C07 | H5 | 180.0° | 180.0° |
| C06 | C05 | C02 | C03 | 0.0° | 0.3° |
| C05 | C06 | C07 | C08 | 179.7° | 180.0° |
| C05 | C06 | C07 | C04 | 0.5° | 0.3° |
| C05 | C02 | O01 | C03 | 180.0° | 179.7° |
| C02 | C05 | C06 | C07 | 0.3° | 0.0° |
| C05 | C02 | C03 | C04 | 0.1° | 0.3° |
| C05 | C02 | O01 | H1 | 180.0° | 90.3° |
| C05 | C02 | C03 | H2 | 179.9° | 179.8° |
| C02 | C05 | C06 | H5 | 179.7° | 180.0° |
| O01 | C02 | C03 | C04 | 180.0° | 180.0° |
| O01 | C02 | C03 | H2 | 0.1° | 0.1° |
| O01 | C02 | C05 | H4 | 0.1° | 0.0° |
| C06 | C07 | C08 | C04 | 179.2° | 179.7° |
| C06 | C07 | C08 | C09 | 59.3° | 65.0° |
| C06 | C07 | C04 | C03 | 0.4° | 0.3° |
| C06 | C07 | C08 | C22 | 177.1° | 115.1° |
| C06 | C07 | C04 | H3 | 179.6° | 179.8° |
| C07 | C06 | C05 | H4 | 179.7° | 180.0° |
| C13 | C12 | C20 | C21 | 180.0° | 179.7° |
| C13 | C12 | C20 | C11 | 180.0° | 180.0° |
| C13 | C12 | C11 | C10 | 179.9° | 180.0° |
| C13 | C12 | C11 | H8 | 0.1° | 0.0° |
| C12 | C13 | H9 | C1 | 180.0° | 180.0° |
| C13 | C12 | C20 | H12 | 0.0° | 0.3° |
| C12 | C13 | C1 | C2 | 90.0° | 180.0° |
| C12 | C13 | C1 | H6 | 90.0° | 0.0° |
| C21 | C20 | C12 | H12 | 180.0° | 179.5° |
| C20 | C21 | C09 | H13 | 180.0° | 179.5° |
| C21 | C20 | C12 | C11 | 0.1° | 0.3° |
| C20 | C21 | C09 | C08 | 179.5° | 179.8° |
| C20 | C21 | C09 | C10 | 0.9° | 0.5° |
| C12 | C20 | C21 | C09 | 0.4° | 0.5° |
| C20 | C12 | C11 | C10 | 0.1° | 0.0° |
| C20 | C12 | C11 | H8 | 179.9° | 180.0° |
| C20 | C12 | C13 | H9 | 110.3° | 180.0° |
| C12 | C20 | C21 | H13 | 179.5° | 180.0° |
| C20 | C12 | C13 | C1 | 69.7° | 0.0° |
| C02 | C03 | C04 | C07 | 0.1° | 0.0° |
| C02 | C03 | C04 | H2 | 180.0° | 179.9° |
| C03 | C02 | O01 | H1 | 0.0° | 90.0° |
| C02 | C03 | C04 | H3 | 179.9° | 180.0° |
| C03 | C02 | C05 | H4 | 180.0° | 179.7° |
| C21 | C09 | C08 | C07 | 116.7° | 114.8° |
| C21 | C09 | C08 | C10 | 178.6° | 179.7° |
| C21 | C09 | C10 | C11 | 0.9° | 0.3° |
| C21 | C09 | C08 | C22 | 126.0° | 65.3° |
| C21 | C09 | C10 | H7 | 179.1° | 179.8° |
| C09 | C21 | C20 | H12 | 179.6° | 180.0° |
| C12 | C11 | C10 | C09 | 0.5° | 0.1° |
| C12 | C11 | C10 | H8 | 180.0° | 180.0° |
| C12 | C11 | C10 | H7 | 179.4° | 180.0° |
| C11 | C12 | C13 | H9 | 69.8° | 0.0° |
| C11 | C12 | C20 | H12 | 180.0° | 179.8° |
| C11 | C12 | C13 | C1 | 110.2° | 180.0° |
| C07 | C08 | C09 | C22 | 117.3° | 179.9° |
| C07 | C08 | C09 | C10 | 64.7° | 64.9° |
| C08 | C07 | C04 | C03 | 179.7° | 180.0° |
| C07 | C08 | C22 | C27 | 84.1° | 0.1° |
| C07 | C08 | C22 | C23 | 161.1° | 179.7° |
| C08 | C07 | C04 | H3 | 0.3° | 0.0° |
| C08 | C07 | C06 | H5 | 0.3° | 0.0° |
| C04 | C07 | C08 | C09 | 121.5° | 114.7° |
| C07 | C04 | C03 | H3 | 180.0° | 180.0° |
| C04 | C07 | C08 | C22 | 3.7° | 65.2° |
| C07 | C04 | C03 | H2 | 179.9° | 179.9° |
| C04 | C07 | C06 | H5 | 179.5° | 179.7° |
| C08 | C09 | C10 | C11 | 179.5° | 180.0° |
| C09 | C08 | C22 | C27 | 167.5° | 180.0° |
| C09 | C08 | C22 | C23 | 52.6° | 0.4° |
| C08 | C09 | C10 | H7 | 0.4° | 0.1° |
| C08 | C09 | C21 | H13 | 0.5° | 0.3° |
| C09 | C10 | C11 | H7 | 180.0° | 179.9° |
| C10 | C09 | C08 | C22 | 52.6° | 115.0° |
| C09 | C10 | C11 | H8 | 179.5° | 179.9° |
| C10 | C09 | C21 | H13 | 179.1° | 180.0° |
| C08 | C22 | C27 | C26 | 64.8° | 128.7° |
| C08 | C22 | C27 | C23 | 117.4° | 179.7° |
| C08 | C22 | C23 | C24 | 64.7° | 128.7° |
| C08 | C22 | C23 | H15 | 55.7° | 9.0° |
| C08 | C22 | C23 | H16 | 174.8° | 111.4° |
| C08 | C22 | C27 | H23 | 55.6° | 111.6° |
| C08 | C22 | C27 | H24 | 174.9° | 9.0° |
| C27 | C26 | C25 | H21 | 120.3° | 120.1° |
| C27 | C26 | C25 | H22 | 120.3° | 119.8° |
| C26 | C27 | C22 | H23 | 120.4° | 119.7° |
| C26 | C27 | C22 | H24 | 120.4° | 119.6° |
| C26 | C27 | C22 | C23 | 52.7° | 51.7° |
| C27 | C26 | C25 | C24 | 58.5° | 63.8° |
| C27 | C26 | C25 | H19 | 62.0° | 176.1° |
| C27 | C26 | C25 | H20 | 178.9° | 56.3° |
| C27 | C26 | H21 | H22 | 119.0° | 120.0° |
| C26 | C27 | H23 | H24 | 118.8° | 120.7° |
| C25 | C26 | C27 | C22 | 57.6° | 54.9° |
| C26 | C25 | C24 | H19 | 120.5° | 120.1° |
| C26 | C25 | C24 | H20 | 120.5° | 120.1° |
| C26 | C25 | C24 | C23 | 58.0° | 63.6° |
| C26 | C25 | C24 | H17 | 178.4° | 56.3° |
| C26 | C25 | C24 | H18 | 62.4° | 176.4° |
| C26 | C25 | H19 | H20 | 118.6° | 119.8° |
| C25 | C26 | H21 | H22 | 119.0° | 120.0° |
| C25 | C26 | C27 | H23 | 178.0° | 64.7° |
| C25 | C26 | C27 | H24 | 62.7° | 174.5° |
| C27 | C22 | C23 | C24 | 52.3° | 51.6° |
| C27 | C22 | C23 | H15 | 172.7° | 171.3° |
| C27 | C22 | C23 | H16 | 68.2° | 68.3° |
| C22 | C27 | C26 | H21 | 178.0° | 65.3° |
| C22 | C27 | C26 | H22 | 62.7° | 174.6° |
| C22 | C27 | H23 | H24 | 118.9° | 120.5° |
| C22 | C23 | C24 | C25 | 56.1° | 54.6° |
| C22 | C23 | C24 | H15 | 120.5° | 119.7° |
| C22 | C23 | C24 | H16 | 120.5° | 119.8° |
| C22 | C23 | H15 | H16 | 118.6° | 120.4° |
| C22 | C23 | C24 | H17 | 176.5° | 65.3° |
| C22 | C23 | C24 | H18 | 64.3° | 174.6° |
| C23 | C22 | C27 | H23 | 173.0° | 68.1° |
| C23 | C22 | C27 | H24 | 67.7° | 171.3° |
| C25 | C24 | C23 | H17 | 120.4° | 119.9° |
| C25 | C24 | C23 | H18 | 120.4° | 120.0° |
| C25 | C24 | C23 | H15 | 176.5° | 174.3° |
| C25 | C24 | C23 | H16 | 64.4° | 65.2° |
| C25 | C24 | H17 | H18 | 118.8° | 120.0° |
| C24 | C25 | H19 | H20 | 118.5° | 119.8° |
| C24 | C25 | C26 | H21 | 178.8° | 56.3° |
| C24 | C25 | C26 | H22 | 61.8° | 176.5° |
| C24 | C23 | H15 | H16 | 118.6° | 120.6° |
| C23 | C24 | H17 | H18 | 118.8° | 120.1° |
| C23 | C24 | C25 | H19 | 62.5° | 176.3° |
| C23 | C24 | C25 | H20 | 178.5° | 56.5° |
| H2 | C03 | C04 | H3 | 0.1° | 0.0° |
| H4 | C05 | C06 | H5 | 0.3° | 0.0° |
| H7 | C10 | C11 | H8 | 0.5° | 0.0° |
| H9 | C13 | C1 | C2 | 90.0° | 0.0° |
| H9 | C13 | C1 | H6 | 90.0° | 180.0° |
| H12 | C20 | C21 | H13 | 0.4° | 0.5° |
| H15 | C23 | C24 | H17 | 63.1° | 54.4° |
| H15 | C23 | C24 | H18 | 56.1° | 65.7° |
| H16 | C23 | C24 | H17 | 56.0° | 174.8° |
| H16 | C23 | C24 | H18 | 175.2° | 54.8° |
| H17 | C24 | C25 | H19 | 57.9° | 63.8° |
| H17 | C24 | C25 | H20 | 61.1° | 176.4° |
| H18 | C24 | C25 | H19 | 177.1° | 56.3° |
| H18 | C24 | C25 | H20 | 58.1° | 63.5° |
| H19 | C25 | C26 | H21 | 58.3° | 63.8° |
| H19 | C25 | C26 | H22 | 177.7° | 56.4° |
| H20 | C25 | C26 | H21 | 60.8° | 176.4° |
| H20 | C25 | C26 | H22 | 58.6° | 63.5° |
| H21 | C26 | C27 | H23 | 61.7° | 175.0° |
| H21 | C26 | C27 | H24 | 57.6° | 54.2° |
| H22 | C26 | C27 | H23 | 57.7° | 55.0° |
| H22 | C26 | C27 | H24 | 177.0° | 65.8° |
| C13 | C1 | C2 | H6 | 90.0° | 180.0° |
| C13 | C1 | C2 | O1 | 90.0° | 0.0° |
| C13 | C1 | C2 | O2 | 90.0° | 179.9° |
| C1 | C2 | O1 | O2 | 90.0° | 179.9° |
| C1 | C2 | O2 | C5 | 90.0° | 180.0° |
| O1 | C2 | O2 | C5 | 90.0° | 0.1° |
| O1 | C2 | C1 | H6 | 90.0° | 180.0° |
| C2 | O2 | C5 | C6 | 90.0° | 180.0° |
| O2 | C2 | C1 | H6 | 90.0° | 0.1° |
| C2 | O2 | C5 | H10 | 90.0° | 59.9° |
| C2 | O2 | C5 | H11 | 90.0° | 60.0° |
| O2 | C5 | C6 | H10 | 90.0° | 120.0° |
| O2 | C5 | C6 | H11 | 90.0° | 120.0° |
| O2 | C5 | H10 | H11 | 90.0° | 120.0° |
| O2 | C5 | C6 | H14 | 90.0° | 180.0° |
| O2 | C5 | C6 | H25 | 90.0° | 60.0° |
| O2 | C5 | C6 | H26 | 90.0° | 60.0° |
| C6 | C5 | H10 | H11 | 90.0° | 120.0° |
| C5 | C6 | H14 | H25 | 90.0° | 120.1° |
| C5 | C6 | H14 | H26 | 90.0° | 120.0° |
| C5 | C6 | H25 | H26 | 90.0° | 120.0° |
| H10 | C5 | C6 | H14 | 90.0° | 59.9° |
| H10 | C5 | C6 | H25 | 90.0° | 180.0° |
| H10 | C5 | C6 | H26 | 90.0° | 60.0° |
| H11 | C5 | C6 | H14 | 90.0° | 60.0° |
| H11 | C5 | C6 | H25 | 90.0° | 60.0° |
| H11 | C5 | C6 | H26 | 90.0° | 179.9° |
| H14 | C6 | H25 | H26 | 90.0° | 119.9° |
