8CO
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C25 | C28 | sing | 1.53Å | 1.50Å | |
| C25 | C27 | sing | 1.53Å | 1.50Å | |
| C25 | C24 | sing | 1.51Å | 1.51Å | |
| N08 | C24 | sing | 1.35Å | 1.45Å | |
| N08 | C03 | sing | 1.38Å | 1.45Å | |
| O02 | C03 | sing | 1.34Å | 1.31Å | Aromatic |
| O02 | N01 | sing | 1.21Å | 1.34Å | Aromatic |
| C24 | O26 | doub | 1.21Å | 1.23Å | |
| C03 | C04 | doub | 1.39Å | 1.45Å | Aromatic |
| N01 | C05 | doub | 1.31Å | 1.34Å | Aromatic |
| C04 | C05 | sing | 1.47Å | 1.46Å | Aromatic |
| C04 | C07 | sing | 1.48Å | 1.51Å | |
| C05 | C06 | sing | 1.48Å | 1.52Å | |
| C13 | C07 | doub | 1.39Å | 1.39Å | Aromatic |
| C13 | C12 | sing | 1.38Å | 1.40Å | Aromatic |
| C07 | C09 | sing | 1.39Å | 1.40Å | Aromatic |
| C06 | C14 | doub | 1.39Å | 1.39Å | Aromatic |
| C06 | C18 | sing | 1.40Å | 1.39Å | Aromatic |
| O19 | C18 | sing | 1.36Å | 1.37Å | |
| C12 | C11 | doub | 1.39Å | 1.39Å | Aromatic |
| C14 | C15 | sing | 1.38Å | 1.39Å | Aromatic |
| C18 | C17 | doub | 1.38Å | 1.40Å | Aromatic |
| C09 | C10 | doub | 1.38Å | 1.41Å | Aromatic |
| C11 | C10 | sing | 1.39Å | 1.40Å | Aromatic |
| C11 | O22 | sing | 1.36Å | 1.41Å | |
| C15 | CL1 | sing | 1.74Å | 1.73Å | |
| C15 | C16 | doub | 1.39Å | 1.39Å | Aromatic |
| C17 | C16 | sing | 1.39Å | 1.39Å | Aromatic |
| O22 | C23 | sing | 1.43Å | 1.39Å | |
| C16 | O20 | sing | 1.36Å | 1.37Å | |
| C10 | H1 | sing | 1.08Å | 1.08Å | |
| C13 | H2 | sing | 1.08Å | 1.08Å | |
| C17 | H3 | sing | 1.08Å | 1.08Å | |
| C28 | H4 | sing | 1.09Å | 1.10Å | |
| C28 | H5 | sing | 1.09Å | 1.10Å | |
| C28 | H6 | sing | 1.09Å | 1.10Å | |
| N08 | H7 | sing | 0.97Å | 1.00Å | |
| C09 | H8 | sing | 1.08Å | 1.08Å | |
| C12 | H9 | sing | 1.08Å | 1.08Å | |
| C14 | H10 | sing | 1.08Å | 1.08Å | |
| O19 | H11 | sing | 0.97Å | 0.95Å | |
| O20 | H12 | sing | 0.97Å | 0.95Å | |
| C23 | H13 | sing | 1.09Å | 1.10Å | |
| C23 | H14 | sing | 1.09Å | 1.10Å | |
| C23 | H15 | sing | 1.09Å | 1.10Å | |
| C25 | H16 | sing | 1.09Å | 1.10Å | |
| C27 | H17 | sing | 1.09Å | 1.10Å | |
| C27 | H18 | sing | 1.09Å | 1.10Å | |
| C27 | H19 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C28 | C25 | C27 | 112.8° | 109.5° |
| C28 | C25 | C24 | 112.0° | 109.5° |
| C25 | C28 | H4 | 109.5° | 109.5° |
| C25 | C28 | H5 | 109.5° | 109.4° |
| C25 | C28 | H6 | 109.5° | 109.5° |
| C28 | C25 | H16 | 106.1° | 109.5° |
| C27 | C25 | C24 | 113.3° | 109.5° |
| C27 | C25 | H16 | 106.0° | 109.4° |
| C25 | C27 | H17 | 109.5° | 109.5° |
| C25 | C27 | H18 | 109.4° | 109.5° |
| C25 | C27 | H19 | 109.4° | 109.4° |
| C25 | C24 | N08 | 117.7° | 120.0° |
| C25 | C24 | O26 | 120.7° | 120.0° |
| C24 | C25 | H16 | 105.8° | 109.4° |
| C24 | N08 | C03 | 122.8° | 120.0° |
| N08 | C24 | O26 | 121.5° | 120.0° |
| C24 | N08 | H7 | 118.6° | 120.0° |
| N08 | C03 | O02 | 128.9° | 126.8° |
| N08 | C03 | C04 | 123.9° | 126.9° |
| C03 | N08 | H7 | 118.6° | 119.9° |
| C03 | O02 | N01 | 112.1° | 113.2° |
| O02 | C03 | C04 | 107.1° | 106.3° |
| O02 | N01 | C05 | 110.2° | 112.4° |
| C03 | C04 | C05 | 104.3° | 102.8° |
| C03 | C04 | C07 | 129.2° | 128.6° |
| N01 | C05 | C04 | 106.3° | 105.4° |
| N01 | C05 | C06 | 130.9° | 127.3° |
| C05 | C04 | C07 | 126.4° | 128.6° |
| C04 | C05 | C06 | 122.8° | 127.3° |
| C04 | C07 | C13 | 118.6° | 120.1° |
| C04 | C07 | C09 | 120.6° | 120.1° |
| C05 | C06 | C14 | 119.5° | 120.1° |
| C05 | C06 | C18 | 119.5° | 120.1° |
| C07 | C13 | C12 | 119.4° | 120.0° |
| C13 | C07 | C09 | 120.7° | 119.8° |
| C07 | C13 | H2 | 120.3° | 120.1° |
| C13 | C12 | C11 | 120.6° | 120.0° |
| C12 | C13 | H2 | 120.3° | 120.0° |
| C13 | C12 | H9 | 119.7° | 120.0° |
| C07 | C09 | C10 | 119.5° | 119.9° |
| C07 | C09 | H8 | 120.2° | 120.1° |
| C14 | C06 | C18 | 120.9° | 119.8° |
| C06 | C14 | C15 | 118.7° | 120.0° |
| C06 | C14 | H10 | 120.6° | 120.0° |
| C06 | C18 | O19 | 119.3° | 120.1° |
| C06 | C18 | C17 | 120.0° | 119.8° |
| O19 | C18 | C17 | 120.7° | 120.1° |
| C18 | O19 | H11 | 109.5° | 113.9° |
| C12 | C11 | C10 | 120.1° | 120.2° |
| C12 | C11 | O22 | 118.2° | 119.9° |
| C11 | C12 | H9 | 119.7° | 120.0° |
| C14 | C15 | CL1 | 120.2° | 119.9° |
| C14 | C15 | C16 | 120.8° | 120.2° |
| C15 | C14 | H10 | 120.6° | 120.0° |
| C18 | C17 | C16 | 119.3° | 120.1° |
| C18 | C17 | H3 | 120.4° | 119.9° |
| C09 | C10 | C11 | 119.6° | 120.0° |
| C09 | C10 | H1 | 120.2° | 120.0° |
| C10 | C09 | H8 | 120.2° | 120.0° |
| C10 | C11 | O22 | 121.7° | 119.9° |
| C11 | C10 | H1 | 120.2° | 120.0° |
| C11 | O22 | C23 | 120.1° | 117.0° |
| CL1 | C15 | C16 | 119.0° | 119.9° |
| C15 | C16 | C17 | 120.2° | 120.1° |
| C15 | C16 | O20 | 119.8° | 119.9° |
| C17 | C16 | O20 | 120.0° | 119.9° |
| C16 | C17 | H3 | 120.3° | 120.0° |
| O22 | C23 | H13 | 109.5° | 109.4° |
| O22 | C23 | H14 | 109.5° | 109.5° |
| O22 | C23 | H15 | 109.4° | 109.4° |
| C16 | O20 | H12 | 109.5° | 114.0° |
| H4 | C28 | H5 | 109.5° | 109.5° |
| H4 | C28 | H6 | 109.5° | 109.5° |
| H5 | C28 | H6 | 109.5° | 109.4° |
| H13 | C23 | H14 | 109.5° | 109.5° |
| H13 | C23 | H15 | 109.5° | 109.5° |
| H14 | C23 | H15 | 109.5° | 109.5° |
| H17 | C27 | H18 | 109.5° | 109.5° |
| H17 | C27 | H19 | 109.5° | 109.4° |
| H18 | C27 | H19 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C28 | C25 | C27 | C24 | 128.6° | 120.0° |
| C28 | C25 | C27 | H16 | 115.7° | 120.1° |
| C28 | C25 | C24 | H16 | 115.2° | 120.0° |
| C28 | C25 | C24 | N08 | 77.1° | 60.0° |
| C28 | C25 | C24 | O26 | 106.7° | 119.9° |
| C25 | C28 | H4 | H5 | 120.0° | 120.0° |
| C25 | C28 | H4 | H6 | 120.0° | 120.0° |
| C25 | C28 | H5 | H6 | 120.0° | 119.9° |
| C28 | C25 | C27 | H17 | 180.0° | 59.9° |
| C28 | C25 | C27 | H18 | 60.0° | 180.0° |
| C28 | C25 | C27 | H19 | 60.0° | 60.0° |
| C27 | C25 | C24 | H16 | 115.8° | 119.9° |
| C27 | C25 | C24 | N08 | 153.9° | 180.0° |
| C27 | C25 | C24 | O26 | 22.4° | 0.1° |
| C27 | C25 | C28 | H4 | 180.0° | 59.9° |
| C27 | C25 | C28 | H5 | 60.0° | 60.1° |
| C27 | C25 | C28 | H6 | 60.0° | 180.0° |
| C25 | C27 | H17 | H18 | 120.0° | 120.1° |
| C25 | C27 | H17 | H19 | 120.0° | 119.9° |
| C25 | C27 | H18 | H19 | 119.9° | 120.0° |
| C25 | C24 | N08 | O26 | 176.2° | 179.9° |
| C25 | C24 | N08 | C03 | 174.4° | 180.0° |
| C24 | C25 | C28 | H4 | 50.7° | 60.1° |
| C24 | C25 | C28 | H5 | 170.7° | 179.9° |
| C24 | C25 | C28 | H6 | 69.3° | 60.0° |
| C25 | C24 | N08 | H7 | 5.6° | 0.1° |
| C24 | C25 | C27 | H17 | 51.4° | 60.1° |
| C24 | C25 | C27 | H18 | 68.6° | 60.0° |
| C24 | C25 | C27 | H19 | 171.4° | 180.0° |
| C24 | N08 | C03 | H7 | 180.0° | 179.9° |
| C24 | N08 | C03 | O02 | 136.9° | 0.1° |
| C24 | N08 | C03 | C04 | 46.2° | 180.0° |
| N08 | C24 | C25 | H16 | 38.1° | 60.1° |
| N08 | C03 | O02 | C04 | 177.3° | 179.9° |
| N08 | C03 | O02 | N01 | 176.9° | 179.9° |
| C03 | N08 | C24 | O26 | 9.4° | 0.1° |
| N08 | C03 | C04 | C05 | 176.8° | 179.9° |
| N08 | C03 | C04 | C07 | 1.9° | 0.0° |
| C03 | O02 | N01 | C05 | 0.2° | 0.0° |
| O02 | C03 | C04 | C05 | 0.7° | 0.0° |
| O02 | C03 | C04 | C07 | 179.4° | 180.0° |
| O02 | C03 | N08 | H7 | 43.1° | 180.0° |
| N01 | O02 | C03 | C04 | 0.4° | 0.0° |
| O02 | N01 | C05 | C04 | 0.6° | 0.0° |
| O02 | N01 | C05 | C06 | 179.8° | 180.0° |
| O26 | C24 | N08 | H7 | 170.6° | 180.0° |
| O26 | C24 | C25 | H16 | 138.2° | 120.0° |
| C03 | C04 | C05 | N01 | 0.8° | 0.0° |
| C03 | C04 | C05 | C07 | 178.7° | 180.0° |
| C03 | C04 | C05 | C06 | 179.5° | 180.0° |
| C03 | C04 | C07 | C13 | 59.5° | 65.0° |
| C03 | C04 | C07 | C09 | 121.0° | 114.7° |
| C04 | C03 | N08 | H7 | 133.8° | 0.1° |
| N01 | C05 | C04 | C06 | 179.7° | 180.0° |
| N01 | C05 | C04 | C07 | 179.5° | 180.0° |
| N01 | C05 | C06 | C14 | 128.4° | 180.0° |
| N01 | C05 | C06 | C18 | 55.5° | 0.0° |
| C05 | C04 | C07 | C13 | 118.9° | 115.0° |
| C05 | C04 | C07 | C09 | 60.6° | 65.2° |
| C04 | C05 | C06 | C14 | 52.0° | 0.0° |
| C04 | C05 | C06 | C18 | 124.1° | 180.0° |
| C07 | C04 | C05 | C06 | 0.8° | 0.0° |
| C04 | C07 | C13 | C09 | 179.5° | 179.8° |
| C04 | C07 | C13 | C12 | 179.6° | 180.0° |
| C04 | C07 | C09 | C10 | 179.3° | 179.7° |
| C04 | C07 | C13 | H2 | 0.4° | 0.2° |
| C04 | C07 | C09 | H8 | 0.7° | 0.2° |
| C05 | C06 | C14 | C18 | 176.0° | 180.0° |
| C05 | C06 | C18 | O19 | 5.9° | 0.0° |
| C05 | C06 | C14 | C15 | 178.0° | 180.0° |
| C05 | C06 | C18 | C17 | 177.8° | 179.7° |
| C05 | C06 | C14 | H10 | 2.0° | 0.0° |
| C07 | C13 | C12 | H2 | 180.0° | 179.8° |
| C07 | C13 | C12 | C11 | 0.0° | 0.3° |
| C13 | C07 | C09 | C10 | 0.2° | 0.1° |
| C13 | C07 | C09 | H8 | 179.8° | 180.0° |
| C07 | C13 | C12 | H9 | 180.0° | 179.9° |
| C12 | C13 | C07 | C09 | 0.1° | 0.2° |
| C13 | C12 | C11 | H9 | 180.0° | 179.7° |
| C13 | C12 | C11 | C10 | 0.5° | 0.0° |
| C13 | C12 | C11 | O22 | 179.6° | 180.0° |
| C07 | C09 | C10 | H8 | 180.0° | 179.9° |
| C07 | C09 | C10 | C11 | 0.7° | 0.3° |
| C07 | C09 | C10 | H1 | 179.3° | 180.0° |
| C09 | C07 | C13 | H2 | 179.9° | 180.0° |
| C14 | C06 | C18 | O19 | 178.0° | 180.0° |
| C06 | C14 | C15 | H10 | 180.0° | 179.9° |
| C14 | C06 | C18 | C17 | 1.8° | 0.3° |
| C06 | C14 | C15 | CL1 | 175.9° | 180.0° |
| C06 | C14 | C15 | C16 | 0.9° | 0.3° |
| C06 | C18 | O19 | C17 | 176.2° | 179.7° |
| C18 | C06 | C14 | C15 | 1.9° | 0.0° |
| C06 | C18 | C17 | C16 | 0.6° | 0.3° |
| C06 | C18 | C17 | H3 | 179.4° | 179.7° |
| C18 | C06 | C14 | H10 | 178.1° | 180.0° |
| C06 | C18 | O19 | H11 | 180.0° | 90.0° |
| O19 | C18 | C17 | C16 | 176.8° | 180.0° |
| O19 | C18 | C17 | H3 | 3.2° | 0.0° |
| C12 | C11 | C10 | C09 | 0.9° | 0.3° |
| C12 | C11 | C10 | O22 | 179.0° | 180.0° |
| C12 | C11 | O22 | C23 | 175.2° | 0.0° |
| C12 | C11 | C10 | H1 | 179.1° | 179.9° |
| C11 | C12 | C13 | H2 | 180.0° | 180.0° |
| C14 | C15 | CL1 | C16 | 176.9° | 179.7° |
| C14 | C15 | C16 | C17 | 0.2° | 0.3° |
| C14 | C15 | C16 | O20 | 178.0° | 179.7° |
| C18 | C17 | C16 | C15 | 0.4° | 0.0° |
| C18 | C17 | C16 | H3 | 180.0° | 180.0° |
| C18 | C17 | C16 | O20 | 178.1° | 180.0° |
| C17 | C18 | O19 | H11 | 3.8° | 89.7° |
| C09 | C10 | C11 | H1 | 180.0° | 179.6° |
| C09 | C10 | C11 | O22 | 179.9° | 179.7° |
| C10 | C11 | O22 | C23 | 5.8° | 180.0° |
| C11 | C10 | C09 | H8 | 179.3° | 179.7° |
| C10 | C11 | C12 | H9 | 179.5° | 179.7° |
| O22 | C11 | C10 | H1 | 0.1° | 0.1° |
| O22 | C11 | C12 | H9 | 0.5° | 0.3° |
| C11 | O22 | C23 | H13 | 180.0° | 60.0° |
| C11 | O22 | C23 | H14 | 60.0° | 60.0° |
| C11 | O22 | C23 | H15 | 60.0° | 180.0° |
| CL1 | C15 | C16 | C17 | 177.1° | 180.0° |
| CL1 | C15 | C16 | O20 | 5.2° | 0.0° |
| CL1 | C15 | C14 | H10 | 4.1° | 0.1° |
| C15 | C16 | C17 | O20 | 177.8° | 180.0° |
| C15 | C16 | C17 | H3 | 179.6° | 180.0° |
| C16 | C15 | C14 | H10 | 179.1° | 179.8° |
| C15 | C16 | O20 | H12 | 180.0° | 90.0° |
| C17 | C16 | O20 | H12 | 2.2° | 90.0° |
| O22 | C23 | H13 | H14 | 120.0° | 120.0° |
| O22 | C23 | H13 | H15 | 120.0° | 119.9° |
| O22 | C23 | H14 | H15 | 120.0° | 120.0° |
| O20 | C16 | C17 | H3 | 1.9° | 0.0° |
| H1 | C10 | C09 | H8 | 0.8° | 0.1° |
| H2 | C13 | C12 | H9 | 0.0° | 0.3° |
| H4 | C28 | H5 | H6 | 120.0° | 120.1° |
| H4 | C28 | C25 | H16 | 64.3° | 179.9° |
| H5 | C28 | C25 | H16 | 55.7° | 59.9° |
| H6 | C28 | C25 | H16 | 175.7° | 60.0° |
| H13 | C23 | H14 | H15 | 120.0° | 120.0° |
| H16 | C25 | C27 | H17 | 64.3° | 180.0° |
| H16 | C25 | C27 | H18 | 175.7° | 60.0° |
| H16 | C25 | C27 | H19 | 55.7° | 60.0° |
| H17 | C27 | H18 | H19 | 120.0° | 120.0° |
