8CF
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C23 | O22 | sing | 1.43Å | 1.48Å | |
| O20 | C16 | sing | 1.36Å | 1.35Å | |
| O22 | C11 | sing | 1.36Å | 1.39Å | |
| C16 | C17 | doub | 1.39Å | 1.38Å | Aromatic |
| C16 | C15 | sing | 1.39Å | 1.39Å | Aromatic |
| CL1 | C15 | sing | 1.74Å | 1.69Å | |
| C17 | C18 | sing | 1.38Å | 1.44Å | Aromatic |
| C10 | C11 | doub | 1.39Å | 1.36Å | Aromatic |
| C10 | C09 | sing | 1.38Å | 1.43Å | Aromatic |
| C15 | C14 | doub | 1.38Å | 1.42Å | Aromatic |
| C11 | C12 | sing | 1.39Å | 1.46Å | Aromatic |
| C09 | C07 | doub | 1.39Å | 1.43Å | Aromatic |
| C18 | O19 | sing | 1.36Å | 1.45Å | |
| C18 | C06 | doub | 1.40Å | 1.38Å | Aromatic |
| C14 | C06 | sing | 1.39Å | 1.38Å | Aromatic |
| C12 | C13 | doub | 1.38Å | 1.38Å | Aromatic |
| C06 | C05 | sing | 1.48Å | 1.50Å | |
| C07 | C13 | sing | 1.39Å | 1.39Å | Aromatic |
| C07 | C04 | sing | 1.48Å | 1.48Å | |
| C27 | C25 | sing | 1.53Å | 1.42Å | |
| C05 | C04 | sing | 1.47Å | 1.51Å | Aromatic |
| C05 | N01 | doub | 1.31Å | 1.30Å | Aromatic |
| C04 | C03 | doub | 1.39Å | 1.38Å | Aromatic |
| C25 | C24 | sing | 1.51Å | 1.54Å | |
| N01 | O02 | sing | 1.21Å | 1.31Å | Aromatic |
| C03 | O02 | sing | 1.34Å | 1.34Å | Aromatic |
| C03 | N08 | sing | 1.39Å | 1.44Å | |
| C24 | N08 | sing | 1.35Å | 1.42Å | |
| C24 | O26 | doub | 1.21Å | 1.20Å | |
| N08 | H1 | sing | 0.97Å | 1.00Å | |
| C09 | H2 | sing | 1.08Å | 1.08Å | |
| C10 | H3 | sing | 1.08Å | 1.08Å | |
| C13 | H4 | sing | 1.08Å | 1.08Å | |
| C12 | H5 | sing | 1.08Å | 1.08Å | |
| C14 | H6 | sing | 1.08Å | 1.08Å | |
| C17 | H7 | sing | 1.08Å | 1.08Å | |
| O19 | H8 | sing | 0.97Å | 0.95Å | |
| O20 | H9 | sing | 0.97Å | 0.95Å | |
| C23 | H10 | sing | 1.09Å | 1.10Å | |
| C23 | H11 | sing | 1.09Å | 1.10Å | |
| C23 | H12 | sing | 1.09Å | 1.10Å | |
| C25 | H13 | sing | 1.09Å | 1.10Å | |
| C25 | H14 | sing | 1.09Å | 1.10Å | |
| C27 | H15 | sing | 1.09Å | 1.10Å | |
| C27 | H16 | sing | 1.09Å | 1.10Å | |
| C27 | H17 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C23 | O22 | C11 | 119.4° | 117.0° |
| O22 | C23 | H10 | 109.5° | 109.5° |
| O22 | C23 | H11 | 109.5° | 109.5° |
| O22 | C23 | H12 | 109.5° | 109.5° |
| O20 | C16 | C17 | 118.9° | 119.9° |
| O20 | C16 | C15 | 120.4° | 119.9° |
| C16 | O20 | H9 | 109.5° | 114.0° |
| O22 | C11 | C10 | 121.4° | 119.9° |
| O22 | C11 | C12 | 118.2° | 119.9° |
| C17 | C16 | C15 | 120.5° | 120.2° |
| C16 | C17 | C18 | 117.9° | 120.1° |
| C16 | C17 | H7 | 121.0° | 120.0° |
| C16 | C15 | CL1 | 120.1° | 119.9° |
| C16 | C15 | C14 | 121.7° | 120.2° |
| CL1 | C15 | C14 | 118.2° | 119.9° |
| C17 | C18 | O19 | 119.2° | 120.1° |
| C17 | C18 | C06 | 121.2° | 119.8° |
| C18 | C17 | H7 | 121.0° | 119.9° |
| C11 | C10 | C09 | 119.9° | 120.1° |
| C10 | C11 | C12 | 120.3° | 120.2° |
| C11 | C10 | H3 | 120.0° | 120.0° |
| C10 | C09 | C07 | 119.4° | 119.9° |
| C10 | C09 | H2 | 120.3° | 120.0° |
| C09 | C10 | H3 | 120.0° | 120.0° |
| C15 | C14 | C06 | 117.9° | 119.9° |
| C15 | C14 | H6 | 121.0° | 120.0° |
| C11 | C12 | C13 | 119.5° | 120.1° |
| C11 | C12 | H5 | 120.2° | 119.9° |
| C09 | C07 | C13 | 119.9° | 119.8° |
| C09 | C07 | C04 | 121.7° | 120.1° |
| C07 | C09 | H2 | 120.3° | 120.0° |
| O19 | C18 | C06 | 119.5° | 120.0° |
| C18 | O19 | H8 | 109.5° | 114.0° |
| C18 | C06 | C14 | 120.7° | 119.8° |
| C18 | C06 | C05 | 121.1° | 120.1° |
| C14 | C06 | C05 | 118.2° | 120.1° |
| C06 | C14 | H6 | 121.1° | 120.0° |
| C12 | C13 | C07 | 120.8° | 120.0° |
| C12 | C13 | H4 | 119.6° | 120.0° |
| C13 | C12 | H5 | 120.2° | 120.0° |
| C06 | C05 | C04 | 123.2° | 127.3° |
| C06 | C05 | N01 | 129.1° | 127.4° |
| C13 | C07 | C04 | 118.3° | 120.1° |
| C07 | C13 | H4 | 119.6° | 120.0° |
| C07 | C04 | C05 | 125.7° | 128.6° |
| C07 | C04 | C03 | 131.0° | 128.6° |
| C27 | C25 | C24 | 116.7° | 109.5° |
| C27 | C25 | H13 | 107.6° | 109.5° |
| C27 | C25 | H14 | 107.6° | 109.5° |
| C25 | C27 | H15 | 109.5° | 109.4° |
| C25 | C27 | H16 | 109.5° | 109.5° |
| C25 | C27 | H17 | 109.5° | 109.5° |
| C04 | C05 | N01 | 107.7° | 105.3° |
| C05 | C04 | C03 | 103.3° | 102.8° |
| C05 | N01 | O02 | 108.6° | 112.4° |
| C04 | C03 | O02 | 106.6° | 106.2° |
| C04 | C03 | N08 | 129.0° | 126.9° |
| C25 | C24 | N08 | 121.3° | 120.0° |
| C25 | C24 | O26 | 119.0° | 119.9° |
| C24 | C25 | H13 | 107.6° | 109.5° |
| C24 | C25 | H14 | 107.6° | 109.5° |
| N01 | O02 | C03 | 113.9° | 113.2° |
| O02 | C03 | N08 | 124.3° | 126.9° |
| C03 | N08 | C24 | 126.8° | 120.0° |
| C03 | N08 | H1 | 116.6° | 120.0° |
| N08 | C24 | O26 | 118.4° | 120.1° |
| C24 | N08 | H1 | 116.6° | 120.1° |
| H10 | C23 | H11 | 109.4° | 109.5° |
| H10 | C23 | H12 | 109.5° | 109.5° |
| H11 | C23 | H12 | 109.5° | 109.5° |
| H13 | C25 | H14 | 109.5° | 109.4° |
| H15 | C27 | H16 | 109.4° | 109.5° |
| H15 | C27 | H17 | 109.5° | 109.5° |
| H16 | C27 | H17 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C23 | O22 | C11 | C10 | 0.1° | 180.0° |
| C23 | O22 | C11 | C12 | 178.4° | 0.1° |
| O22 | C23 | H10 | H11 | 120.0° | 120.0° |
| O22 | C23 | H10 | H12 | 120.0° | 120.0° |
| O22 | C23 | H11 | H12 | 120.0° | 120.0° |
| O20 | C16 | C17 | C15 | 175.6° | 179.7° |
| O20 | C16 | C15 | CL1 | 7.9° | 0.3° |
| O20 | C16 | C17 | C18 | 175.5° | 180.0° |
| O20 | C16 | C15 | C14 | 175.1° | 179.7° |
| O20 | C16 | C17 | H7 | 4.5° | 0.3° |
| O22 | C11 | C10 | C12 | 178.5° | 179.9° |
| O22 | C11 | C10 | C09 | 179.0° | 179.9° |
| O22 | C11 | C12 | C13 | 179.2° | 179.7° |
| O22 | C11 | C10 | H3 | 1.0° | 0.0° |
| O22 | C11 | C12 | H5 | 0.8° | 0.1° |
| C11 | O22 | C23 | H10 | 180.0° | 180.0° |
| C11 | O22 | C23 | H11 | 60.0° | 60.0° |
| C11 | O22 | C23 | H12 | 60.0° | 60.0° |
| C17 | C16 | C15 | CL1 | 176.6° | 180.0° |
| C16 | C17 | C18 | H7 | 180.0° | 179.7° |
| C17 | C16 | C15 | C14 | 0.4° | 0.0° |
| C16 | C17 | C18 | O19 | 177.3° | 180.0° |
| C16 | C17 | C18 | C06 | 0.4° | 0.6° |
| C17 | C16 | O20 | H9 | 180.0° | 89.9° |
| C16 | C15 | CL1 | C14 | 177.1° | 180.0° |
| C15 | C16 | C17 | C18 | 0.1° | 0.3° |
| C16 | C15 | C14 | C06 | 0.2° | 0.0° |
| C16 | C15 | C14 | H6 | 179.8° | 180.0° |
| C15 | C16 | C17 | H7 | 179.9° | 180.0° |
| C15 | C16 | O20 | H9 | 4.4° | 89.7° |
| CL1 | C15 | C14 | C06 | 176.8° | 180.0° |
| CL1 | C15 | C14 | H6 | 3.2° | 0.0° |
| C17 | C18 | O19 | C06 | 177.7° | 179.4° |
| C17 | C18 | C06 | C14 | 0.6° | 0.6° |
| C17 | C18 | C06 | C05 | 179.1° | 179.7° |
| C17 | C18 | O19 | H8 | 180.0° | 90.0° |
| C11 | C10 | C09 | H3 | 180.0° | 179.9° |
| C11 | C10 | C09 | C07 | 1.1° | 0.0° |
| C10 | C11 | C12 | C13 | 0.7° | 0.2° |
| C11 | C10 | C09 | H2 | 178.8° | 179.7° |
| C10 | C11 | C12 | H5 | 179.3° | 180.0° |
| C09 | C10 | C11 | C12 | 0.5° | 0.0° |
| C10 | C09 | C07 | H2 | 180.0° | 179.7° |
| C10 | C09 | C07 | C13 | 2.6° | 0.3° |
| C10 | C09 | C07 | C04 | 178.3° | 179.7° |
| C15 | C14 | C06 | C18 | 0.3° | 0.3° |
| C15 | C14 | C06 | H6 | 180.0° | 179.9° |
| C15 | C14 | C06 | C05 | 179.4° | 180.0° |
| C11 | C12 | C13 | H5 | 180.0° | 179.8° |
| C11 | C12 | C13 | C07 | 0.8° | 0.5° |
| C12 | C11 | C10 | H3 | 179.5° | 179.9° |
| C11 | C12 | C13 | H4 | 179.2° | 179.9° |
| C09 | C07 | C13 | C12 | 2.5° | 0.5° |
| C09 | C07 | C13 | C04 | 175.8° | 180.0° |
| C09 | C07 | C04 | C05 | 63.4° | 115.0° |
| C09 | C07 | C04 | C03 | 115.3° | 65.0° |
| C07 | C09 | C10 | H3 | 178.8° | 180.0° |
| C09 | C07 | C13 | H4 | 177.5° | 180.0° |
| O19 | C18 | C06 | C14 | 177.1° | 180.0° |
| O19 | C18 | C06 | C05 | 3.3° | 0.3° |
| O19 | C18 | C17 | H7 | 2.7° | 0.3° |
| C18 | C06 | C14 | C05 | 179.7° | 179.7° |
| C18 | C06 | C05 | C04 | 128.7° | 179.7° |
| C18 | C06 | C05 | N01 | 51.0° | 0.3° |
| C18 | C06 | C14 | H6 | 179.7° | 179.7° |
| C06 | C18 | C17 | H7 | 179.6° | 179.7° |
| C06 | C18 | O19 | H8 | 2.3° | 90.6° |
| C14 | C06 | C05 | C04 | 51.0° | 0.1° |
| C14 | C06 | C05 | N01 | 129.4° | 180.0° |
| C12 | C13 | C07 | H4 | 180.0° | 179.5° |
| C12 | C13 | C07 | C04 | 178.3° | 179.4° |
| C06 | C05 | C04 | C07 | 0.7° | 0.0° |
| C06 | C05 | C04 | N01 | 179.7° | 180.0° |
| C06 | C05 | C04 | C03 | 179.7° | 180.0° |
| C06 | C05 | N01 | O02 | 179.8° | 180.0° |
| C05 | C06 | C14 | H6 | 0.6° | 0.1° |
| C13 | C07 | C04 | C05 | 120.8° | 65.0° |
| C13 | C07 | C04 | C03 | 60.5° | 115.0° |
| C13 | C07 | C09 | H2 | 177.3° | 179.9° |
| C07 | C13 | C12 | H5 | 179.2° | 179.8° |
| C07 | C04 | C05 | C03 | 179.0° | 180.0° |
| C07 | C04 | C05 | N01 | 179.0° | 179.9° |
| C07 | C04 | C03 | O02 | 179.0° | 180.0° |
| C07 | C04 | C03 | N08 | 5.8° | 0.2° |
| C04 | C07 | C09 | H2 | 1.7° | 0.0° |
| C04 | C07 | C13 | H4 | 1.7° | 0.0° |
| C27 | C25 | C24 | H13 | 121.0° | 120.0° |
| C27 | C25 | C24 | H14 | 121.1° | 120.0° |
| C27 | C25 | C24 | N08 | 73.1° | 180.0° |
| C27 | C25 | C24 | O26 | 93.5° | 0.0° |
| C27 | C25 | H13 | H14 | 116.7° | 120.0° |
| C25 | C27 | H15 | H16 | 120.0° | 120.0° |
| C25 | C27 | H15 | H17 | 120.0° | 120.0° |
| C25 | C27 | H16 | H17 | 120.0° | 120.0° |
| C04 | C05 | N01 | O02 | 0.1° | 0.0° |
| C05 | C04 | C03 | O02 | 0.1° | 0.0° |
| C05 | C04 | C03 | N08 | 175.3° | 179.7° |
| N01 | C05 | C04 | C03 | 0.0° | 0.0° |
| C05 | N01 | O02 | C03 | 0.2° | 0.0° |
| C04 | C03 | O02 | N01 | 0.2° | 0.0° |
| C04 | C03 | O02 | N08 | 175.5° | 179.7° |
| C04 | C03 | N08 | C24 | 41.2° | 179.7° |
| C04 | C03 | N08 | H1 | 138.7° | 0.3° |
| C25 | C24 | N08 | C03 | 11.5° | 180.0° |
| C25 | C24 | N08 | O26 | 166.7° | 180.0° |
| C25 | C24 | N08 | H1 | 168.5° | 0.0° |
| C24 | C25 | H13 | H14 | 116.7° | 120.0° |
| C24 | C25 | C27 | H15 | 180.0° | 60.0° |
| C24 | C25 | C27 | H16 | 60.0° | 60.0° |
| C24 | C25 | C27 | H17 | 60.0° | 180.0° |
| N01 | O02 | C03 | N08 | 175.7° | 179.7° |
| O02 | C03 | N08 | C24 | 144.4° | 0.1° |
| O02 | C03 | N08 | H1 | 35.7° | 179.9° |
| C03 | N08 | C24 | H1 | 180.0° | 180.0° |
| C03 | N08 | C24 | O26 | 178.2° | 0.0° |
| N08 | C24 | C25 | H13 | 165.8° | 60.0° |
| N08 | C24 | C25 | H14 | 47.9° | 60.0° |
| O26 | C24 | N08 | H1 | 1.8° | 180.0° |
| O26 | C24 | C25 | H13 | 27.5° | 120.0° |
| O26 | C24 | C25 | H14 | 145.4° | 120.0° |
| H2 | C09 | C10 | H3 | 1.2° | 0.4° |
| H4 | C13 | C12 | H5 | 0.8° | 0.3° |
| H10 | C23 | H11 | H12 | 120.0° | 120.0° |
| H13 | C25 | C27 | H15 | 58.9° | 179.9° |
| H13 | C25 | C27 | H16 | 61.0° | 60.1° |
| H13 | C25 | C27 | H17 | 179.0° | 60.0° |
| H14 | C25 | C27 | H15 | 59.0° | 60.0° |
| H14 | C25 | C27 | H16 | 178.9° | 180.0° |
| H14 | C25 | C27 | H17 | 61.0° | 59.9° |
| H15 | C27 | H16 | H17 | 120.0° | 120.0° |
