WIP
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O26 | C24 | doub | 1.21Å | 1.29Å | |
| O25 | C24 | sing | 1.35Å | 1.24Å | |
| C24 | C23 | sing | 1.48Å | 1.49Å | |
| C23 | C22 | doub | 1.39Å | 1.38Å | Aromatic |
| C23 | C27 | sing | 1.40Å | 1.40Å | Aromatic |
| C22 | C04 | sing | 1.39Å | 1.39Å | Aromatic |
| C27 | C02 | doub | 1.39Å | 1.42Å | Aromatic |
| C06 | C07 | doub | 1.36Å | 1.40Å | Aromatic |
| C06 | C05 | sing | 1.40Å | 1.40Å | Aromatic |
| C04 | C05 | sing | 1.48Å | 1.47Å | |
| C04 | C03 | doub | 1.39Å | 1.41Å | Aromatic |
| C02 | C03 | sing | 1.39Å | 1.41Å | Aromatic |
| C02 | O01 | sing | 1.36Å | 1.39Å | |
| C07 | C08 | sing | 1.40Å | 1.39Å | Aromatic |
| C05 | C21 | doub | 1.39Å | 1.38Å | Aromatic |
| C08 | C09 | sing | 1.47Å | 1.50Å | |
| C08 | C12 | doub | 1.40Å | 1.38Å | Aromatic |
| C21 | C12 | sing | 1.39Å | 1.39Å | Aromatic |
| C09 | O11 | doub | 1.22Å | 1.25Å | |
| C09 | O10 | sing | 1.35Å | 1.25Å | |
| C12 | O13 | sing | 1.36Å | 1.38Å | |
| O13 | C14 | sing | 1.43Å | 1.42Å | |
| C14 | C15 | sing | 1.51Å | 1.52Å | |
| C20 | C15 | doub | 1.38Å | 1.40Å | Aromatic |
| C20 | C19 | sing | 1.38Å | 1.40Å | Aromatic |
| C15 | C16 | sing | 1.38Å | 1.41Å | Aromatic |
| C19 | C18 | doub | 1.38Å | 1.39Å | Aromatic |
| C16 | C17 | doub | 1.38Å | 1.40Å | Aromatic |
| C18 | C17 | sing | 1.38Å | 1.41Å | Aromatic |
| C17 | H1 | sing | 1.08Å | 1.08Å | |
| C20 | H2 | sing | 1.08Å | 1.08Å | |
| C21 | H3 | sing | 1.08Å | 1.08Å | |
| C22 | H4 | sing | 1.08Å | 1.08Å | |
| C03 | H5 | sing | 1.08Å | 1.08Å | |
| C06 | H6 | sing | 1.08Å | 1.08Å | |
| C07 | H7 | sing | 1.08Å | 1.08Å | |
| C14 | H8 | sing | 1.09Å | 1.10Å | |
| C14 | H9 | sing | 1.09Å | 1.10Å | |
| C16 | H10 | sing | 1.08Å | 1.08Å | |
| C18 | H11 | sing | 1.08Å | 1.08Å | |
| C19 | H12 | sing | 1.08Å | 1.08Å | |
| C27 | H13 | sing | 1.08Å | 1.08Å | |
| O01 | H14 | sing | 0.97Å | 0.95Å | |
| O10 | H15 | sing | 0.97Å | 0.95Å | |
| O25 | H16 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O26 | C24 | O25 | 127.6° | 120.0° |
| O26 | C24 | C23 | 119.3° | 120.0° |
| O25 | C24 | C23 | 113.0° | 120.0° |
| C24 | O25 | H16 | 109.5° | 117.0° |
| C24 | C23 | C22 | 121.4° | 120.0° |
| C24 | C23 | C27 | 117.2° | 120.1° |
| C22 | C23 | C27 | 121.3° | 119.9° |
| C23 | C22 | C04 | 123.4° | 119.8° |
| C23 | C22 | H4 | 118.3° | 120.1° |
| C23 | C27 | C02 | 116.1° | 120.0° |
| C23 | C27 | H13 | 122.0° | 119.9° |
| C22 | C04 | C05 | 120.5° | 120.0° |
| C22 | C04 | C03 | 116.8° | 119.9° |
| C04 | C22 | H4 | 118.3° | 120.1° |
| C27 | C02 | C03 | 122.3° | 120.2° |
| C27 | C02 | O01 | 119.9° | 119.9° |
| C02 | C27 | H13 | 122.0° | 120.0° |
| C07 | C06 | C05 | 119.9° | 120.4° |
| C06 | C07 | C08 | 122.5° | 120.2° |
| C07 | C06 | H6 | 120.1° | 119.8° |
| C06 | C07 | H7 | 118.8° | 119.9° |
| C06 | C05 | C04 | 121.5° | 119.9° |
| C06 | C05 | C21 | 116.6° | 120.1° |
| C05 | C06 | H6 | 120.0° | 119.8° |
| C05 | C04 | C03 | 122.5° | 120.0° |
| C04 | C05 | C21 | 121.6° | 119.9° |
| C04 | C03 | C02 | 120.1° | 120.1° |
| C04 | C03 | H5 | 120.0° | 119.9° |
| C03 | C02 | O01 | 117.8° | 119.9° |
| C02 | C03 | H5 | 120.0° | 119.9° |
| C02 | O01 | H14 | 109.5° | 114.0° |
| C07 | C08 | C09 | 119.3° | 120.1° |
| C07 | C08 | C12 | 117.4° | 119.8° |
| C08 | C07 | H7 | 118.8° | 119.9° |
| C05 | C21 | C12 | 123.6° | 119.8° |
| C05 | C21 | H3 | 118.2° | 120.1° |
| C09 | C08 | C12 | 123.3° | 120.1° |
| C08 | C09 | O11 | 117.6° | 120.0° |
| C08 | C09 | O10 | 116.1° | 120.0° |
| C08 | C12 | C21 | 120.0° | 119.7° |
| C08 | C12 | O13 | 119.8° | 120.1° |
| C21 | C12 | O13 | 120.2° | 120.2° |
| C12 | C21 | H3 | 118.2° | 120.1° |
| O11 | C09 | O10 | 126.4° | 120.0° |
| C09 | O10 | H15 | 109.5° | 117.0° |
| C12 | O13 | C14 | 115.8° | 117.0° |
| O13 | C14 | C15 | 112.2° | 109.4° |
| O13 | C14 | H8 | 108.8° | 109.5° |
| O13 | C14 | H9 | 108.8° | 109.4° |
| C14 | C15 | C20 | 122.9° | 120.0° |
| C14 | C15 | C16 | 120.1° | 120.0° |
| C15 | C14 | H8 | 108.8° | 109.5° |
| C15 | C14 | H9 | 108.8° | 109.5° |
| C15 | C20 | C19 | 121.8° | 120.0° |
| C20 | C15 | C16 | 116.9° | 120.0° |
| C15 | C20 | H2 | 119.1° | 120.0° |
| C20 | C19 | C18 | 120.9° | 120.0° |
| C19 | C20 | H2 | 119.1° | 120.0° |
| C20 | C19 | H12 | 119.5° | 120.0° |
| C15 | C16 | C17 | 121.3° | 120.0° |
| C15 | C16 | H10 | 119.4° | 120.0° |
| C19 | C18 | C17 | 118.1° | 120.0° |
| C19 | C18 | H11 | 120.9° | 120.0° |
| C18 | C19 | H12 | 119.5° | 120.0° |
| C16 | C17 | C18 | 120.9° | 120.0° |
| C16 | C17 | H1 | 119.5° | 119.9° |
| C17 | C16 | H10 | 119.3° | 120.0° |
| C18 | C17 | H1 | 119.6° | 120.0° |
| C17 | C18 | H11 | 121.0° | 120.0° |
| H8 | C14 | H9 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O26 | C24 | O25 | C23 | 177.6° | 179.9° |
| O26 | C24 | C23 | C22 | 25.0° | 0.0° |
| O26 | C24 | C23 | C27 | 156.8° | 180.0° |
| O26 | C24 | O25 | H16 | 0.0° | 0.1° |
| O25 | C24 | C23 | C22 | 152.8° | 179.9° |
| O25 | C24 | C23 | C27 | 25.4° | 0.1° |
| C24 | C23 | C22 | C27 | 178.1° | 180.0° |
| C24 | C23 | C22 | C04 | 179.6° | 179.9° |
| C24 | C23 | C27 | C02 | 179.1° | 179.9° |
| C24 | C23 | C22 | H4 | 0.3° | 0.3° |
| C24 | C23 | C27 | H13 | 0.9° | 0.0° |
| C23 | C24 | O25 | H16 | 177.6° | 180.0° |
| C23 | C22 | C04 | H4 | 180.0° | 179.8° |
| C22 | C23 | C27 | C02 | 1.0° | 0.0° |
| C23 | C22 | C04 | C05 | 177.7° | 179.8° |
| C23 | C22 | C04 | C03 | 2.8° | 0.2° |
| C22 | C23 | C27 | H13 | 179.0° | 180.0° |
| C27 | C23 | C22 | C04 | 2.3° | 0.0° |
| C23 | C27 | C02 | H13 | 180.0° | 180.0° |
| C23 | C27 | C02 | C03 | 0.4° | 0.2° |
| C23 | C27 | C02 | O01 | 179.5° | 179.8° |
| C27 | C23 | C22 | H4 | 177.8° | 179.7° |
| C22 | C04 | C05 | C06 | 32.6° | 0.0° |
| C22 | C04 | C05 | C03 | 174.5° | 180.0° |
| C22 | C04 | C03 | C02 | 2.2° | 0.4° |
| C22 | C04 | C05 | C21 | 140.9° | 180.0° |
| C22 | C04 | C03 | H5 | 177.8° | 179.5° |
| C27 | C02 | C03 | C04 | 1.1° | 0.4° |
| C27 | C02 | C03 | O01 | 179.9° | 179.6° |
| C27 | C02 | C03 | H5 | 178.9° | 179.5° |
| C27 | C02 | O01 | H14 | 180.0° | 90.5° |
| C07 | C06 | C05 | H6 | 180.0° | 180.0° |
| C07 | C06 | C05 | C04 | 176.6° | 180.0° |
| C06 | C07 | C08 | H7 | 180.0° | 180.0° |
| C07 | C06 | C05 | C21 | 2.8° | 0.1° |
| C06 | C07 | C08 | C09 | 179.3° | 180.0° |
| C06 | C07 | C08 | C12 | 0.8° | 0.1° |
| C06 | C05 | C04 | C21 | 173.5° | 180.0° |
| C06 | C05 | C04 | C03 | 152.9° | 180.0° |
| C05 | C06 | C07 | C08 | 1.1° | 0.1° |
| C06 | C05 | C21 | C12 | 2.8° | 0.0° |
| C06 | C05 | C21 | H3 | 177.2° | 179.7° |
| C05 | C06 | C07 | H7 | 178.9° | 180.0° |
| C05 | C04 | C03 | C02 | 176.9° | 179.5° |
| C04 | C05 | C21 | C12 | 176.5° | 180.0° |
| C04 | C05 | C21 | H3 | 3.4° | 0.3° |
| C05 | C04 | C22 | H4 | 2.4° | 0.0° |
| C05 | C04 | C03 | H5 | 3.1° | 0.5° |
| C04 | C05 | C06 | H6 | 3.4° | 0.0° |
| C04 | C03 | C02 | H5 | 180.0° | 179.9° |
| C04 | C03 | C02 | O01 | 178.8° | 180.0° |
| C03 | C04 | C05 | C21 | 33.6° | 0.0° |
| C03 | C04 | C22 | H4 | 177.2° | 180.0° |
| C03 | C02 | C27 | H13 | 179.6° | 179.8° |
| C03 | C02 | O01 | H14 | 0.1° | 90.0° |
| O01 | C02 | C03 | H5 | 1.2° | 0.0° |
| O01 | C02 | C27 | H13 | 0.5° | 0.2° |
| C07 | C08 | C09 | C12 | 179.9° | 180.0° |
| C07 | C08 | C12 | C21 | 1.0° | 0.1° |
| C07 | C08 | C09 | O11 | 105.2° | 180.0° |
| C07 | C08 | C09 | O10 | 75.1° | 0.1° |
| C07 | C08 | C12 | O13 | 179.9° | 179.7° |
| C08 | C07 | C06 | H6 | 178.9° | 179.9° |
| C05 | C21 | C12 | C08 | 0.9° | 0.1° |
| C05 | C21 | C12 | H3 | 180.0° | 179.7° |
| C05 | C21 | C12 | O13 | 178.0° | 179.7° |
| C21 | C05 | C06 | H6 | 177.2° | 179.9° |
| C09 | C08 | C12 | C21 | 179.2° | 180.0° |
| C08 | C09 | O11 | O10 | 179.6° | 180.0° |
| C09 | C08 | C12 | O13 | 0.2° | 0.2° |
| C09 | C08 | C07 | H7 | 0.7° | 0.0° |
| C08 | C09 | O10 | H15 | 179.7° | 180.0° |
| C08 | C12 | C21 | O13 | 178.9° | 179.8° |
| C12 | C08 | C09 | O11 | 74.7° | 0.0° |
| C12 | C08 | C09 | O10 | 105.0° | 180.0° |
| C08 | C12 | O13 | C14 | 97.4° | 179.8° |
| C08 | C12 | C21 | H3 | 179.1° | 179.7° |
| C12 | C08 | C07 | H7 | 179.1° | 180.0° |
| C21 | C12 | O13 | C14 | 81.5° | 0.0° |
| O11 | C09 | O10 | H15 | 0.0° | 0.0° |
| C12 | O13 | C14 | C15 | 86.5° | 180.0° |
| O13 | C12 | C21 | H3 | 2.0° | 0.0° |
| C12 | O13 | C14 | H8 | 33.9° | 60.0° |
| C12 | O13 | C14 | H9 | 153.1° | 60.0° |
| O13 | C14 | C15 | H8 | 120.4° | 120.0° |
| O13 | C14 | C15 | H9 | 120.4° | 119.9° |
| O13 | C14 | C15 | C20 | 29.1° | 90.4° |
| O13 | C14 | C15 | C16 | 150.7° | 90.0° |
| O13 | C14 | H8 | H9 | 118.8° | 119.9° |
| C14 | C15 | C20 | C16 | 179.8° | 179.6° |
| C14 | C15 | C20 | C19 | 179.9° | 179.7° |
| C14 | C15 | C16 | C17 | 179.7° | 179.7° |
| C14 | C15 | C20 | H2 | 0.1° | 0.4° |
| C15 | C14 | H8 | H9 | 118.7° | 120.1° |
| C14 | C15 | C16 | H10 | 0.3° | 0.3° |
| C15 | C20 | C19 | H2 | 180.0° | 179.9° |
| C15 | C20 | C19 | C18 | 0.1° | 0.1° |
| C20 | C15 | C16 | C17 | 0.4° | 0.0° |
| C20 | C15 | C14 | H8 | 149.6° | 29.7° |
| C20 | C15 | C14 | H9 | 91.3° | 149.7° |
| C20 | C15 | C16 | H10 | 179.6° | 179.9° |
| C15 | C20 | C19 | H12 | 179.9° | 180.0° |
| C19 | C20 | C15 | C16 | 0.1° | 0.1° |
| C20 | C19 | C18 | H12 | 180.0° | 179.9° |
| C20 | C19 | C18 | C17 | 0.0° | 0.0° |
| C20 | C19 | C18 | H11 | 180.0° | 180.0° |
| C15 | C16 | C17 | H10 | 180.0° | 180.0° |
| C15 | C16 | C17 | C18 | 0.6° | 0.0° |
| C15 | C16 | C17 | H1 | 179.4° | 180.0° |
| C16 | C15 | C20 | H2 | 179.9° | 180.0° |
| C16 | C15 | C14 | H8 | 30.3° | 150.0° |
| C16 | C15 | C14 | H9 | 88.9° | 29.9° |
| C19 | C18 | C17 | C16 | 0.3° | 0.0° |
| C19 | C18 | C17 | H11 | 180.0° | 180.0° |
| C19 | C18 | C17 | H1 | 179.7° | 180.0° |
| C18 | C19 | C20 | H2 | 179.9° | 180.0° |
| C16 | C17 | C18 | H1 | 180.0° | 179.9° |
| C16 | C17 | C18 | H11 | 179.6° | 179.9° |
| C18 | C17 | C16 | H10 | 179.4° | 180.0° |
| C17 | C18 | C19 | H12 | 180.0° | 179.9° |
| H1 | C17 | C16 | H10 | 0.6° | 0.1° |
| H1 | C17 | C18 | H11 | 0.3° | 0.0° |
| H2 | C20 | C19 | H12 | 0.1° | 0.1° |
| H6 | C06 | C07 | H7 | 1.1° | 0.1° |
| H11 | C18 | C19 | H12 | 0.0° | 0.1° |






