C8A
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O21 | P20 | doub | 1.48Å | 1.51Å | |
| O23 | P20 | sing | 1.61Å | 1.51Å | |
| P20 | O22 | sing | 1.61Å | 1.51Å | |
| P20 | C05 | sing | 1.82Å | 1.86Å | |
| O03 | P02 | doub | 1.48Å | 1.52Å | |
| O01 | P02 | sing | 1.61Å | 1.51Å | |
| P02 | C05 | sing | 1.82Å | 1.85Å | |
| P02 | O04 | sing | 1.61Å | 1.51Å | |
| C05 | N06 | sing | 1.46Å | 1.46Å | |
| N06 | C07 | sing | 1.40Å | 1.47Å | |
| C07 | C19 | doub | 1.39Å | 1.39Å | Aromatic |
| C07 | C08 | sing | 1.39Å | 1.41Å | Aromatic |
| C19 | C18 | sing | 1.38Å | 1.39Å | Aromatic |
| C08 | C09 | doub | 1.38Å | 1.38Å | Aromatic |
| C18 | C10 | doub | 1.38Å | 1.40Å | Aromatic |
| C09 | C10 | sing | 1.38Å | 1.39Å | Aromatic |
| C10 | C11 | sing | 1.51Å | 1.52Å | |
| C11 | C12 | sing | 1.51Å | 1.51Å | |
| C17 | C12 | doub | 1.38Å | 1.39Å | Aromatic |
| C17 | C16 | sing | 1.38Å | 1.38Å | Aromatic |
| C12 | C13 | sing | 1.38Å | 1.38Å | Aromatic |
| C16 | C15 | doub | 1.38Å | 1.38Å | Aromatic |
| C13 | C14 | doub | 1.38Å | 1.38Å | Aromatic |
| C15 | C14 | sing | 1.38Å | 1.39Å | Aromatic |
| C13 | H1 | sing | 1.08Å | 1.08Å | |
| C15 | H2 | sing | 1.08Å | 1.08Å | |
| C17 | H3 | sing | 1.08Å | 1.08Å | |
| O01 | H4 | sing | 0.97Å | 0.95Å | |
| O04 | H5 | sing | 0.97Å | 0.95Å | |
| C05 | H6 | sing | 1.09Å | 1.10Å | |
| N06 | H7 | sing | 0.97Å | 1.00Å | |
| C08 | H8 | sing | 1.08Å | 1.08Å | |
| C09 | H9 | sing | 1.08Å | 1.08Å | |
| C11 | H10 | sing | 1.09Å | 1.10Å | |
| C11 | H11 | sing | 1.09Å | 1.10Å | |
| C14 | H12 | sing | 1.08Å | 1.08Å | |
| C16 | H13 | sing | 1.08Å | 1.08Å | |
| C18 | H14 | sing | 1.08Å | 1.08Å | |
| C19 | H15 | sing | 1.08Å | 1.08Å | |
| O22 | H16 | sing | 0.97Å | 0.95Å | |
| O23 | H17 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O21 | P20 | O23 | 109.5° | 109.5° |
| O21 | P20 | O22 | 109.5° | 109.5° |
| O21 | P20 | C05 | 109.5° | 109.4° |
| O23 | P20 | O22 | 109.5° | 109.5° |
| O23 | P20 | C05 | 109.5° | 109.5° |
| P20 | O23 | H17 | 109.5° | 114.0° |
| O22 | P20 | C05 | 109.4° | 109.5° |
| P20 | O22 | H16 | 109.5° | 114.0° |
| P20 | C05 | P02 | 114.8° | 109.5° |
| P20 | C05 | N06 | 107.9° | 109.5° |
| P20 | C05 | H6 | 107.1° | 109.4° |
| O03 | P02 | O01 | 109.5° | 109.5° |
| O03 | P02 | C05 | 109.5° | 109.5° |
| O03 | P02 | O04 | 109.5° | 109.5° |
| O01 | P02 | C05 | 109.5° | 109.5° |
| O01 | P02 | O04 | 109.5° | 109.5° |
| P02 | O01 | H4 | 109.5° | 114.0° |
| C05 | P02 | O04 | 109.4° | 109.5° |
| P02 | C05 | N06 | 107.8° | 109.5° |
| P02 | C05 | H6 | 107.2° | 109.5° |
| P02 | O04 | H5 | 109.5° | 114.0° |
| C05 | N06 | C07 | 120.4° | 120.0° |
| N06 | C05 | H6 | 112.0° | 109.5° |
| C05 | N06 | H7 | 106.7° | 120.0° |
| N06 | C07 | C19 | 119.8° | 120.1° |
| N06 | C07 | C08 | 120.3° | 120.1° |
| C07 | N06 | H7 | 106.7° | 120.0° |
| C19 | C07 | C08 | 119.8° | 119.9° |
| C07 | C19 | C18 | 120.1° | 119.9° |
| C07 | C19 | H15 | 120.0° | 120.1° |
| C07 | C08 | C09 | 119.9° | 120.0° |
| C07 | C08 | H8 | 120.0° | 120.0° |
| C19 | C18 | C10 | 120.1° | 120.0° |
| C19 | C18 | H14 | 119.9° | 120.0° |
| C18 | C19 | H15 | 120.0° | 120.0° |
| C08 | C09 | C10 | 120.0° | 120.0° |
| C09 | C08 | H8 | 120.1° | 120.0° |
| C08 | C09 | H9 | 120.0° | 120.0° |
| C18 | C10 | C09 | 120.1° | 120.2° |
| C18 | C10 | C11 | 119.9° | 119.9° |
| C10 | C18 | H14 | 120.0° | 120.0° |
| C09 | C10 | C11 | 120.0° | 119.9° |
| C10 | C09 | H9 | 120.0° | 120.0° |
| C10 | C11 | C12 | 109.4° | 109.5° |
| C10 | C11 | H10 | 109.5° | 109.5° |
| C10 | C11 | H11 | 109.5° | 109.5° |
| C11 | C12 | C17 | 120.0° | 120.0° |
| C11 | C12 | C13 | 119.9° | 120.0° |
| C12 | C11 | H10 | 109.5° | 109.4° |
| C12 | C11 | H11 | 109.5° | 109.5° |
| C12 | C17 | C16 | 120.0° | 120.0° |
| C17 | C12 | C13 | 120.0° | 120.0° |
| C12 | C17 | H3 | 120.0° | 120.0° |
| C17 | C16 | C15 | 119.9° | 120.0° |
| C16 | C17 | H3 | 120.0° | 120.0° |
| C17 | C16 | H13 | 120.0° | 120.0° |
| C12 | C13 | C14 | 120.0° | 120.0° |
| C12 | C13 | H1 | 120.0° | 119.9° |
| C16 | C15 | C14 | 120.0° | 120.0° |
| C16 | C15 | H2 | 120.0° | 120.0° |
| C15 | C16 | H13 | 120.0° | 120.0° |
| C13 | C14 | C15 | 120.1° | 120.0° |
| C14 | C13 | H1 | 120.0° | 120.0° |
| C13 | C14 | H12 | 120.0° | 120.0° |
| C14 | C15 | H2 | 120.0° | 120.0° |
| C15 | C14 | H12 | 119.9° | 120.0° |
| H10 | C11 | H11 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O21 | P20 | O23 | O22 | 120.0° | 120.0° |
| O21 | P20 | O23 | C05 | 120.1° | 120.0° |
| O21 | P20 | O22 | C05 | 120.0° | 120.0° |
| O21 | P20 | C05 | P02 | 22.5° | 60.0° |
| O21 | P20 | C05 | N06 | 97.8° | 60.0° |
| O21 | P20 | C05 | H6 | 141.4° | 180.0° |
| O21 | P20 | O22 | H16 | 0.0° | 60.0° |
| O21 | P20 | O23 | H17 | 0.0° | 180.0° |
| O23 | P20 | O22 | C05 | 120.0° | 120.0° |
| O23 | P20 | C05 | P02 | 142.5° | 180.0° |
| O23 | P20 | C05 | N06 | 22.2° | 60.0° |
| O23 | P20 | C05 | H6 | 98.5° | 60.0° |
| O23 | P20 | O22 | H16 | 120.0° | 60.0° |
| O22 | P20 | C05 | P02 | 97.5° | 60.0° |
| O22 | P20 | C05 | N06 | 142.2° | 180.0° |
| O22 | P20 | C05 | H6 | 21.5° | 60.0° |
| O22 | P20 | O23 | H17 | 120.0° | 60.0° |
| P20 | C05 | P02 | O03 | 86.0° | 60.0° |
| P20 | C05 | P02 | O01 | 34.0° | 180.0° |
| P20 | C05 | P02 | N06 | 120.3° | 120.0° |
| P20 | C05 | P02 | H6 | 118.9° | 120.0° |
| P20 | C05 | P02 | O04 | 154.0° | 60.0° |
| P20 | C05 | N06 | H6 | 117.7° | 120.0° |
| P20 | C05 | N06 | C07 | 136.8° | 165.0° |
| P20 | C05 | N06 | H7 | 15.3° | 15.0° |
| C05 | P20 | O22 | H16 | 120.0° | 180.0° |
| C05 | P20 | O23 | H17 | 120.0° | 60.0° |
| O03 | P02 | O01 | C05 | 120.0° | 120.0° |
| O03 | P02 | O01 | O04 | 120.1° | 120.0° |
| O03 | P02 | C05 | O04 | 120.0° | 120.0° |
| O03 | P02 | C05 | N06 | 34.3° | 60.0° |
| O03 | P02 | O01 | H4 | 0.0° | 60.0° |
| O03 | P02 | O04 | H5 | 0.0° | 60.0° |
| O03 | P02 | C05 | H6 | 155.1° | 180.0° |
| O01 | P02 | C05 | O04 | 120.0° | 120.0° |
| O01 | P02 | C05 | N06 | 154.3° | 60.0° |
| O01 | P02 | O04 | H5 | 120.1° | 180.0° |
| O01 | P02 | C05 | H6 | 84.9° | 60.0° |
| P02 | C05 | N06 | H6 | 117.7° | 120.0° |
| P02 | C05 | N06 | C07 | 98.6° | 75.0° |
| C05 | P02 | O01 | H4 | 120.0° | 60.0° |
| C05 | P02 | O04 | H5 | 120.0° | 60.0° |
| P02 | C05 | N06 | H7 | 139.9° | 105.0° |
| O04 | P02 | C05 | N06 | 85.7° | 180.0° |
| O04 | P02 | O01 | H4 | 120.1° | 180.0° |
| O04 | P02 | C05 | H6 | 35.0° | 60.0° |
| C05 | N06 | C07 | H7 | 121.5° | 180.0° |
| C05 | N06 | C07 | C19 | 163.8° | 180.0° |
| C05 | N06 | C07 | C08 | 18.5° | 0.3° |
| N06 | C07 | C19 | C08 | 177.7° | 179.7° |
| N06 | C07 | C19 | C18 | 178.7° | 180.0° |
| N06 | C07 | C08 | C09 | 178.6° | 180.0° |
| C07 | N06 | C05 | H6 | 19.2° | 45.0° |
| N06 | C07 | C08 | H8 | 1.5° | 0.1° |
| N06 | C07 | C19 | H15 | 1.4° | 0.2° |
| C07 | C19 | C18 | H15 | 180.0° | 179.8° |
| C19 | C07 | C08 | C09 | 0.8° | 0.3° |
| C07 | C19 | C18 | C10 | 0.8° | 0.0° |
| C19 | C07 | N06 | H7 | 74.7° | 0.0° |
| C19 | C07 | C08 | H8 | 179.2° | 179.8° |
| C07 | C19 | C18 | H14 | 179.2° | 180.0° |
| C08 | C07 | C19 | C18 | 0.9° | 0.3° |
| C07 | C08 | C09 | H8 | 180.0° | 179.9° |
| C07 | C08 | C09 | C10 | 0.6° | 0.1° |
| C08 | C07 | N06 | H7 | 103.0° | 179.8° |
| C07 | C08 | C09 | H9 | 179.4° | 180.0° |
| C08 | C07 | C19 | H15 | 179.1° | 179.9° |
| C19 | C18 | C10 | H14 | 180.0° | 180.0° |
| C19 | C18 | C10 | C09 | 0.6° | 0.3° |
| C19 | C18 | C10 | C11 | 179.9° | 180.0° |
| C08 | C09 | C10 | C18 | 0.5° | 0.2° |
| C08 | C09 | C10 | H9 | 180.0° | 179.9° |
| C08 | C09 | C10 | C11 | 180.0° | 179.9° |
| C18 | C10 | C09 | C11 | 179.5° | 179.7° |
| C18 | C10 | C11 | C12 | 101.7° | 89.7° |
| C18 | C10 | C09 | H9 | 179.5° | 179.7° |
| C18 | C10 | C11 | H10 | 138.4° | 30.2° |
| C18 | C10 | C11 | H11 | 18.3° | 150.3° |
| C10 | C18 | C19 | H15 | 179.2° | 179.8° |
| C09 | C10 | C11 | C12 | 77.9° | 90.0° |
| C10 | C09 | C08 | H8 | 179.4° | 180.0° |
| C09 | C10 | C11 | H10 | 42.1° | 150.0° |
| C09 | C10 | C11 | H11 | 162.1° | 30.0° |
| C09 | C10 | C18 | H14 | 179.4° | 179.8° |
| C10 | C11 | C12 | H10 | 120.0° | 120.0° |
| C10 | C11 | C12 | H11 | 120.0° | 120.0° |
| C10 | C11 | C12 | C17 | 78.1° | 90.0° |
| C10 | C11 | C12 | C13 | 100.8° | 90.0° |
| C11 | C10 | C09 | H9 | 0.0° | 0.0° |
| C10 | C11 | H10 | H11 | 120.0° | 120.0° |
| C11 | C10 | C18 | H14 | 0.1° | 0.0° |
| C11 | C12 | C17 | C13 | 178.9° | 180.0° |
| C11 | C12 | C17 | C16 | 179.4° | 179.5° |
| C11 | C12 | C13 | C14 | 179.4° | 180.0° |
| C11 | C12 | C13 | H1 | 0.6° | 0.3° |
| C11 | C12 | C17 | H3 | 0.6° | 0.0° |
| C12 | C11 | H10 | H11 | 120.1° | 120.0° |
| C12 | C17 | C16 | H3 | 180.0° | 179.4° |
| C12 | C17 | C16 | C15 | 0.4° | 0.8° |
| C17 | C12 | C13 | C14 | 0.5° | 0.1° |
| C17 | C12 | C13 | H1 | 179.5° | 179.7° |
| C17 | C12 | C11 | H10 | 161.9° | 29.9° |
| C17 | C12 | C11 | H11 | 41.8° | 149.9° |
| C12 | C17 | C16 | H13 | 179.6° | 179.9° |
| C16 | C17 | C12 | C13 | 0.6° | 0.6° |
| C17 | C16 | C15 | H13 | 180.0° | 179.3° |
| C17 | C16 | C15 | C14 | 0.3° | 0.5° |
| C17 | C16 | C15 | H2 | 179.7° | 179.4° |
| C12 | C13 | C14 | H1 | 180.0° | 179.8° |
| C12 | C13 | C14 | C15 | 0.3° | 0.2° |
| C13 | C12 | C17 | H3 | 179.4° | 180.0° |
| C13 | C12 | C11 | H10 | 19.2° | 150.0° |
| C13 | C12 | C11 | H11 | 139.3° | 30.0° |
| C12 | C13 | C14 | H12 | 179.6° | 179.7° |
| C16 | C15 | C14 | C13 | 0.2° | 0.0° |
| C16 | C15 | C14 | H2 | 180.0° | 179.9° |
| C15 | C16 | C17 | H3 | 179.6° | 179.8° |
| C16 | C15 | C14 | H12 | 179.8° | 179.8° |
| C13 | C14 | C15 | H12 | 180.0° | 179.9° |
| C13 | C14 | C15 | H2 | 179.8° | 179.9° |
| C15 | C14 | C13 | H1 | 179.7° | 180.0° |
| C14 | C15 | C16 | H13 | 179.7° | 179.8° |
| H1 | C13 | C14 | H12 | 0.3° | 0.1° |
| H2 | C15 | C14 | H12 | 0.2° | 0.0° |
| H2 | C15 | C16 | H13 | 0.3° | 0.1° |
| H3 | C17 | C16 | H13 | 0.4° | 0.5° |
| H6 | C05 | N06 | H7 | 102.4° | 135.0° |
| H8 | C08 | C09 | H9 | 0.6° | 0.1° |
| H14 | C18 | C19 | H15 | 0.8° | 0.2° |
