DFA
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C8 | O11 | doub | 1.21Å | 1.24Å | |
| C8 | C11 | sing | 1.51Å | 1.52Å | |
| C8 | O1' | sing | 1.34Å | 1.32Å | |
| C5 | C4 | doub | 1.38Å | 1.40Å | Aromatic |
| C5 | C6 | sing | 1.38Å | 1.38Å | Aromatic |
| C5 | H5 | sing | 1.08Å | 1.10Å | |
| C4 | C3 | sing | 1.38Å | 1.39Å | Aromatic |
| C4 | H4 | sing | 1.08Å | 1.10Å | |
| C3 | C2 | doub | 1.38Å | 1.39Å | Aromatic |
| C3 | C11 | sing | 1.51Å | 1.54Å | |
| C2 | C1 | sing | 1.38Å | 1.40Å | Aromatic |
| C2 | H2 | sing | 1.08Å | 1.10Å | |
| C1 | C6 | doub | 1.38Å | 1.39Å | Aromatic |
| C1 | H1 | sing | 1.08Å | 1.10Å | |
| C6 | H6 | sing | 1.08Å | 1.10Å | |
| C10 | C16 | doub | 1.38Å | 1.40Å | Aromatic |
| C10 | C12 | sing | 1.38Å | 1.40Å | Aromatic |
| C10 | C11 | sing | 1.51Å | 1.52Å | |
| C16 | C15 | sing | 1.38Å | 1.40Å | Aromatic |
| C16 | H16 | sing | 1.08Å | 1.10Å | |
| C15 | C14 | doub | 1.38Å | 1.40Å | Aromatic |
| C15 | H15 | sing | 1.08Å | 1.10Å | |
| C14 | C13 | sing | 1.38Å | 1.40Å | Aromatic |
| C14 | H14 | sing | 1.08Å | 1.10Å | |
| C13 | C12 | doub | 1.38Å | 1.40Å | Aromatic |
| C13 | H13 | sing | 1.08Å | 1.10Å | |
| C12 | H12 | sing | 1.08Å | 1.10Å | |
| C11 | H11 | sing | 1.09Å | 1.12Å | |
| O1' | H1' | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O11 | C8 | C11 | 120.9° | 120.0° |
| O11 | C8 | O1' | 121.7° | 120.0° |
| C11 | C8 | O1' | 117.4° | 120.0° |
| C8 | C11 | C3 | 110.8° | 109.4° |
| C8 | C11 | C10 | 102.0° | 109.5° |
| C8 | C11 | H11 | 109.9° | 109.5° |
| C8 | O1' | H1' | 121.7° | 120.0° |
| C4 | C5 | C6 | 119.8° | 120.1° |
| C4 | C5 | H5 | 120.1° | 120.0° |
| C5 | C4 | C3 | 121.3° | 120.0° |
| C5 | C4 | H4 | 119.4° | 120.1° |
| C6 | C5 | H5 | 120.1° | 120.0° |
| C5 | C6 | C1 | 119.6° | 120.0° |
| C5 | C6 | H6 | 120.2° | 120.1° |
| C3 | C4 | H4 | 119.4° | 119.9° |
| C4 | C3 | C2 | 117.9° | 120.0° |
| C4 | C3 | C11 | 120.9° | 120.0° |
| C2 | C3 | C11 | 121.2° | 120.0° |
| C3 | C2 | C1 | 121.3° | 120.0° |
| C3 | C2 | H2 | 119.4° | 120.0° |
| C3 | C11 | C10 | 114.2° | 109.5° |
| C3 | C11 | H11 | 109.9° | 109.4° |
| C1 | C2 | H2 | 119.3° | 120.0° |
| C2 | C1 | C6 | 120.1° | 120.0° |
| C2 | C1 | H1 | 119.9° | 120.0° |
| C6 | C1 | H1 | 120.0° | 120.0° |
| C1 | C6 | H6 | 120.2° | 120.0° |
| C16 | C10 | C12 | 118.0° | 120.0° |
| C16 | C10 | C11 | 121.1° | 120.0° |
| C10 | C16 | C15 | 121.3° | 120.0° |
| C10 | C16 | H16 | 119.3° | 120.0° |
| C12 | C10 | C11 | 120.5° | 120.0° |
| C10 | C12 | C13 | 121.1° | 120.0° |
| C10 | C12 | H12 | 119.4° | 120.0° |
| C10 | C11 | H11 | 109.9° | 109.5° |
| C15 | C16 | H16 | 119.3° | 120.0° |
| C16 | C15 | C14 | 119.8° | 120.1° |
| C16 | C15 | H15 | 120.1° | 119.9° |
| C14 | C15 | H15 | 120.1° | 120.0° |
| C15 | C14 | C13 | 119.6° | 120.0° |
| C15 | C14 | H14 | 120.2° | 120.0° |
| C13 | C14 | H14 | 120.2° | 120.0° |
| C14 | C13 | C12 | 120.1° | 120.0° |
| C14 | C13 | H13 | 120.0° | 120.0° |
| C12 | C13 | H13 | 119.9° | 120.0° |
| C13 | C12 | H12 | 119.4° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O11 | C8 | C11 | O1' | 179.2° | 180.0° |
| O11 | C8 | C11 | C3 | 85.6° | 0.0° |
| O11 | C8 | C11 | C10 | 36.3° | 120.0° |
| O11 | C8 | C11 | H11 | 152.8° | 120.0° |
| O11 | C8 | O1' | H1' | 180.0° | 0.0° |
| C8 | C11 | C3 | C4 | 144.9° | 126.1° |
| C8 | C11 | C3 | C2 | 35.5° | 53.7° |
| C8 | C11 | C3 | C10 | 114.5° | 120.0° |
| C8 | C11 | C3 | H11 | 121.6° | 120.0° |
| C8 | C11 | C10 | C16 | 80.8° | 128.6° |
| C8 | C11 | C10 | C12 | 91.5° | 51.6° |
| C8 | C11 | C10 | H11 | 116.5° | 120.0° |
| C11 | C8 | O1' | H1' | 0.8° | 180.0° |
| O1' | C8 | C11 | C3 | 95.2° | 180.0° |
| O1' | C8 | C11 | C10 | 142.9° | 60.0° |
| O1' | C8 | C11 | H11 | 26.4° | 60.0° |
| C4 | C5 | C6 | H5 | 180.0° | 180.0° |
| C5 | C4 | C3 | H4 | 180.0° | 180.0° |
| C5 | C4 | C3 | C2 | 0.3° | 0.2° |
| C5 | C4 | C3 | C11 | 179.3° | 180.0° |
| C4 | C5 | C6 | C1 | 0.1° | 0.1° |
| C4 | C5 | C6 | H6 | 179.9° | 180.0° |
| C6 | C5 | C4 | C3 | 0.2° | 0.0° |
| C6 | C5 | C4 | H4 | 179.8° | 180.0° |
| C5 | C6 | C1 | C2 | 0.2° | 0.2° |
| C5 | C6 | C1 | H6 | 180.0° | 180.0° |
| C5 | C6 | C1 | H1 | 179.8° | 180.0° |
| H5 | C5 | C4 | C3 | 179.8° | 180.0° |
| H5 | C5 | C4 | H4 | 0.2° | 0.0° |
| H5 | C5 | C6 | C1 | 179.9° | 180.0° |
| H5 | C5 | C6 | H6 | 0.1° | 0.0° |
| C4 | C3 | C2 | C11 | 179.6° | 179.8° |
| C4 | C3 | C2 | C1 | 0.2° | 0.5° |
| C4 | C3 | C2 | H2 | 179.8° | 180.0° |
| C4 | C3 | C11 | C10 | 100.7° | 113.9° |
| C4 | C3 | C11 | H11 | 23.3° | 6.1° |
| H4 | C4 | C3 | C2 | 179.7° | 179.8° |
| H4 | C4 | C3 | C11 | 0.7° | 0.0° |
| C3 | C2 | C1 | H2 | 180.0° | 179.5° |
| C3 | C2 | C1 | C6 | 0.1° | 0.4° |
| C3 | C2 | C1 | H1 | 179.9° | 179.8° |
| C2 | C3 | C11 | C10 | 79.0° | 66.3° |
| C2 | C3 | C11 | H11 | 157.1° | 173.7° |
| C11 | C3 | C2 | C1 | 179.5° | 179.7° |
| C11 | C3 | C2 | H2 | 0.6° | 0.2° |
| C3 | C11 | C10 | C16 | 38.8° | 111.4° |
| C3 | C11 | C10 | C12 | 148.9° | 68.3° |
| C3 | C11 | C10 | H11 | 123.9° | 120.0° |
| C2 | C1 | C6 | H1 | 180.0° | 179.8° |
| C2 | C1 | C6 | H6 | 179.8° | 179.8° |
| H2 | C2 | C1 | C6 | 179.9° | 180.0° |
| H2 | C2 | C1 | H1 | 0.0° | 0.2° |
| H1 | C1 | C6 | H6 | 0.2° | 0.0° |
| C16 | C10 | C12 | C11 | 172.5° | 179.7° |
| C10 | C16 | C15 | H16 | 180.0° | 179.9° |
| C10 | C16 | C15 | C14 | 0.3° | 0.1° |
| C10 | C16 | C15 | H15 | 179.7° | 180.0° |
| C16 | C10 | C12 | C13 | 0.8° | 0.4° |
| C16 | C10 | C12 | H12 | 179.2° | 179.9° |
| C16 | C10 | C11 | H11 | 162.7° | 8.6° |
| C12 | C10 | C16 | C15 | 0.9° | 0.2° |
| C12 | C10 | C16 | H16 | 179.1° | 179.7° |
| C10 | C12 | C13 | C14 | 0.3° | 0.4° |
| C10 | C12 | C13 | H12 | 180.0° | 179.6° |
| C10 | C12 | C13 | H13 | 179.7° | 179.8° |
| C12 | C10 | C11 | H11 | 25.0° | 171.7° |
| C11 | C10 | C16 | C15 | 171.6° | 179.9° |
| C11 | C10 | C16 | H16 | 8.4° | 0.0° |
| C11 | C10 | C12 | C13 | 171.7° | 179.8° |
| C11 | C10 | C12 | H12 | 8.3° | 0.2° |
| C16 | C15 | C14 | H15 | 180.0° | 179.9° |
| C16 | C15 | C14 | C13 | 0.3° | 0.1° |
| C16 | C15 | C14 | H14 | 179.7° | 180.0° |
| H16 | C16 | C15 | C14 | 179.7° | 180.0° |
| H16 | C16 | C15 | H15 | 0.3° | 0.1° |
| C15 | C14 | C13 | H14 | 180.0° | 179.9° |
| C15 | C14 | C13 | C12 | 0.3° | 0.1° |
| C15 | C14 | C13 | H13 | 179.7° | 180.0° |
| H15 | C15 | C14 | C13 | 179.7° | 180.0° |
| H15 | C15 | C14 | H14 | 0.3° | 0.1° |
| C14 | C13 | C12 | H13 | 180.0° | 179.8° |
| C14 | C13 | C12 | H12 | 179.8° | 179.9° |
| H14 | C14 | C13 | C12 | 179.7° | 179.8° |
| H14 | C14 | C13 | H13 | 0.3° | 0.0° |
| H13 | C13 | C12 | H12 | 0.3° | 0.1° |
