O8B
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C10 | C11 | sing | 1.51Å | 1.54Å | |
| C11 | H11 | sing | 1.09Å | 1.10Å | |
| C11 | H11A | sing | 1.09Å | 1.10Å | |
| C11 | H11B | sing | 1.09Å | 1.10Å | |
| C09 | C10 | doub | 1.39Å | 1.38Å | Aromatic |
| C10 | C01 | sing | 1.38Å | 1.39Å | Aromatic |
| C03 | C01 | doub | 1.38Å | 1.41Å | Aromatic |
| C01 | H01 | sing | 1.08Å | 1.08Å | |
| C05 | C03 | sing | 1.38Å | 1.40Å | Aromatic |
| C03 | H03 | sing | 1.08Å | 1.08Å | |
| C07 | C05 | doub | 1.38Å | 1.40Å | Aromatic |
| C05 | H05 | sing | 1.08Å | 1.08Å | |
| C07 | C09 | sing | 1.39Å | 1.40Å | Aromatic |
| C07 | H07 | sing | 1.08Å | 1.08Å | |
| O15 | C09 | sing | 1.36Å | 1.38Å | |
| C16 | O15 | sing | 1.43Å | 1.44Å | |
| C19 | C16 | sing | 1.51Å | 1.55Å | |
| C16 | H16 | sing | 1.09Å | 1.10Å | |
| C16 | H16A | sing | 1.09Å | 1.10Å | |
| O22 | C19 | doub | 1.21Å | 1.23Å | |
| C19 | N20 | sing | 1.35Å | 1.35Å | |
| C23 | N20 | sing | 1.40Å | 1.36Å | |
| N20 | HN20 | sing | 0.97Å | 1.00Å | |
| C24 | C23 | doub | 1.37Å | 1.41Å | Aromatic |
| C23 | C28 | sing | 1.40Å | 1.41Å | Aromatic |
| C31 | C24 | sing | 1.40Å | 1.41Å | Aromatic |
| C24 | H24 | sing | 1.08Å | 1.08Å | |
| C26 | C28 | doub | 1.36Å | 1.39Å | Aromatic |
| C28 | H28 | sing | 1.08Å | 1.08Å | |
| C30 | C26 | sing | 1.41Å | 1.40Å | Aromatic |
| C26 | H26 | sing | 1.08Å | 1.08Å | |
| C31 | C30 | sing | 1.47Å | 1.38Å | Aromatic |
| N34 | C30 | doub | 1.32Å | 1.35Å | Aromatic |
| N33 | N34 | sing | 1.29Å | 1.26Å | Aromatic |
| N32 | C31 | doub | 1.32Å | 1.34Å | Aromatic |
| N32 | N33 | sing | 1.29Å | 1.23Å | Aromatic |
| C35 | N33 | sing | 1.40Å | 1.36Å | Aromatic |
| C36 | C35 | doub | 1.39Å | 1.40Å | Aromatic |
| C35 | C43 | sing | 1.39Å | 1.42Å | Aromatic |
| C38 | C36 | sing | 1.38Å | 1.38Å | Aromatic |
| C36 | H36 | sing | 1.08Å | 1.08Å | |
| C38 | C40 | doub | 1.38Å | 1.40Å | Aromatic |
| C38 | H38 | sing | 1.08Å | 1.08Å | |
| C45 | C40 | sing | 1.51Å | 1.54Å | |
| C40 | C41 | sing | 1.38Å | 1.40Å | Aromatic |
| C45 | H45 | sing | 1.09Å | 1.10Å | |
| C45 | H45A | sing | 1.09Å | 1.10Å | |
| C45 | H45B | sing | 1.09Å | 1.10Å | |
| C41 | C43 | doub | 1.38Å | 1.41Å | Aromatic |
| C41 | H41 | sing | 1.08Å | 1.08Å | |
| C43 | H43 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C10 | C11 | H11 | 109.5° | 109.5° |
| C10 | C11 | H11A | 109.5° | 109.5° |
| C10 | C11 | H11B | 109.5° | 109.5° |
| C11 | C10 | C09 | 118.5° | 120.0° |
| C11 | C10 | C01 | 120.8° | 120.1° |
| H11 | C11 | H11A | 109.5° | 109.5° |
| H11 | C11 | H11B | 109.5° | 109.4° |
| H11A | C11 | H11B | 109.5° | 109.5° |
| C09 | C10 | C01 | 120.8° | 120.0° |
| C10 | C09 | C07 | 119.4° | 119.9° |
| C10 | C09 | O15 | 117.3° | 120.1° |
| C10 | C01 | C03 | 120.3° | 120.1° |
| C10 | C01 | H01 | 119.8° | 120.0° |
| C03 | C01 | H01 | 119.9° | 120.0° |
| C01 | C03 | C05 | 119.3° | 120.1° |
| C01 | C03 | H03 | 120.4° | 120.0° |
| C05 | C03 | H03 | 120.4° | 119.9° |
| C03 | C05 | C07 | 119.3° | 120.0° |
| C03 | C05 | H05 | 120.4° | 120.0° |
| C07 | C05 | H05 | 120.4° | 120.0° |
| C05 | C07 | C09 | 121.0° | 120.0° |
| C05 | C07 | H07 | 119.5° | 120.0° |
| C09 | C07 | H07 | 119.5° | 120.1° |
| C07 | C09 | O15 | 123.3° | 120.0° |
| C09 | O15 | C16 | 122.5° | 117.0° |
| O15 | C16 | C19 | 108.6° | 109.5° |
| O15 | C16 | H16 | 109.8° | 109.5° |
| O15 | C16 | H16A | 109.8° | 109.5° |
| C19 | C16 | H16 | 109.8° | 109.4° |
| C19 | C16 | H16A | 109.7° | 109.5° |
| C16 | C19 | O22 | 118.1° | 120.0° |
| C16 | C19 | N20 | 119.2° | 120.0° |
| H16 | C16 | H16A | 109.2° | 109.5° |
| O22 | C19 | N20 | 122.7° | 120.0° |
| C19 | N20 | C23 | 127.1° | 120.0° |
| C19 | N20 | HN20 | 116.5° | 120.0° |
| C23 | N20 | HN20 | 116.5° | 120.0° |
| N20 | C23 | C24 | 124.1° | 119.2° |
| N20 | C23 | C28 | 117.5° | 119.2° |
| C24 | C23 | C28 | 118.3° | 121.6° |
| C23 | C24 | C31 | 119.9° | 119.4° |
| C23 | C24 | H24 | 120.0° | 120.3° |
| C23 | C28 | C26 | 121.4° | 121.6° |
| C23 | C28 | H28 | 119.3° | 119.2° |
| C31 | C24 | H24 | 120.1° | 120.3° |
| C24 | C31 | C30 | 120.6° | 118.9° |
| C24 | C31 | N32 | 135.1° | 136.4° |
| C26 | C28 | H28 | 119.3° | 119.2° |
| C28 | C26 | C30 | 119.9° | 119.6° |
| C28 | C26 | H26 | 120.1° | 120.2° |
| C30 | C26 | H26 | 120.0° | 120.2° |
| C26 | C30 | C31 | 119.9° | 118.9° |
| C26 | C30 | N34 | 134.9° | 136.4° |
| C31 | C30 | N34 | 105.2° | 104.7° |
| C30 | C31 | N32 | 104.3° | 104.7° |
| C30 | N34 | N33 | 108.3° | 108.9° |
| N34 | N33 | N32 | 111.9° | 112.7° |
| N34 | N33 | C35 | 125.2° | 123.6° |
| C31 | N32 | N33 | 110.3° | 108.9° |
| N32 | N33 | C35 | 122.8° | 123.6° |
| N33 | C35 | C36 | 118.0° | 120.1° |
| N33 | C35 | C43 | 122.9° | 120.0° |
| C36 | C35 | C43 | 119.1° | 119.9° |
| C35 | C36 | C38 | 121.0° | 119.9° |
| C35 | C36 | H36 | 119.5° | 120.0° |
| C35 | C43 | C41 | 120.7° | 119.9° |
| C35 | C43 | H43 | 119.6° | 120.1° |
| C38 | C36 | H36 | 119.5° | 120.0° |
| C36 | C38 | C40 | 120.0° | 120.1° |
| C36 | C38 | H38 | 120.0° | 119.9° |
| C40 | C38 | H38 | 120.0° | 120.0° |
| C38 | C40 | C45 | 117.0° | 119.9° |
| C38 | C40 | C41 | 120.9° | 120.1° |
| C45 | C40 | C41 | 122.1° | 119.9° |
| C40 | C45 | H45 | 109.5° | 109.5° |
| C40 | C45 | H45A | 109.5° | 109.4° |
| C40 | C45 | H45B | 109.5° | 109.4° |
| C40 | C41 | C43 | 118.3° | 120.1° |
| C40 | C41 | H41 | 120.8° | 119.9° |
| H45 | C45 | H45A | 109.5° | 109.5° |
| H45 | C45 | H45B | 109.5° | 109.5° |
| H45A | C45 | H45B | 109.5° | 109.5° |
| C43 | C41 | H41 | 120.8° | 120.0° |
| C41 | C43 | H43 | 119.7° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C10 | C11 | H11 | H11A | 120.0° | 120.0° |
| C10 | C11 | H11 | H11B | 120.0° | 120.0° |
| C10 | C11 | H11A | H11B | 120.0° | 120.0° |
| C11 | C10 | C09 | C01 | 178.8° | 179.7° |
| C11 | C10 | C01 | C03 | 179.1° | 180.0° |
| C11 | C10 | C01 | H01 | 1.0° | 0.0° |
| C11 | C10 | C09 | C07 | 178.5° | 179.8° |
| C11 | C10 | C09 | O15 | 1.3° | 0.3° |
| H11 | C11 | H11A | H11B | 120.0° | 120.0° |
| H11 | C11 | C10 | C09 | 90.5° | 90.3° |
| H11 | C11 | C10 | C01 | 90.6° | 90.0° |
| H11A | C11 | C10 | C09 | 149.5° | 29.7° |
| H11A | C11 | C10 | C01 | 29.4° | 150.0° |
| H11B | C11 | C10 | C09 | 29.5° | 149.8° |
| H11B | C11 | C10 | C01 | 149.4° | 30.0° |
| C09 | C10 | C01 | C03 | 0.3° | 0.3° |
| C09 | C10 | C01 | H01 | 179.8° | 179.8° |
| C10 | C09 | C07 | C05 | 1.6° | 0.5° |
| C10 | C09 | C07 | O15 | 177.0° | 179.5° |
| C10 | C09 | C07 | H07 | 178.5° | 179.8° |
| C10 | C09 | O15 | C16 | 173.4° | 179.5° |
| C10 | C01 | C03 | H01 | 180.0° | 180.0° |
| C10 | C01 | C03 | C05 | 0.4° | 0.0° |
| C10 | C01 | C03 | H03 | 179.6° | 179.9° |
| C01 | C10 | C09 | C07 | 0.3° | 0.5° |
| C01 | C10 | C09 | O15 | 177.5° | 180.0° |
| C01 | C03 | C05 | H03 | 180.0° | 179.9° |
| C01 | C03 | C05 | C07 | 1.6° | 0.0° |
| C01 | C03 | C05 | H05 | 178.4° | 180.0° |
| H01 | C01 | C03 | C05 | 179.6° | 180.0° |
| H01 | C01 | C03 | H03 | 0.4° | 0.0° |
| C03 | C05 | C07 | H05 | 180.0° | 179.9° |
| C03 | C05 | C07 | C09 | 2.2° | 0.2° |
| C03 | C05 | C07 | H07 | 177.8° | 180.0° |
| H03 | C03 | C05 | C07 | 178.4° | 180.0° |
| H03 | C03 | C05 | H05 | 1.6° | 0.1° |
| C05 | C07 | C09 | H07 | 180.0° | 179.7° |
| C05 | C07 | C09 | O15 | 178.6° | 180.0° |
| H05 | C05 | C07 | C09 | 177.8° | 179.7° |
| H05 | C05 | C07 | H07 | 2.2° | 0.0° |
| C07 | C09 | O15 | C16 | 3.7° | 0.1° |
| H07 | C07 | C09 | O15 | 1.4° | 0.3° |
| C09 | O15 | C16 | C19 | 168.3° | 180.0° |
| C09 | O15 | C16 | H16 | 71.7° | 60.1° |
| C09 | O15 | C16 | H16A | 48.3° | 59.9° |
| O15 | C16 | C19 | H16 | 120.0° | 120.0° |
| O15 | C16 | C19 | H16A | 120.0° | 120.0° |
| O15 | C16 | H16 | H16A | 120.4° | 120.0° |
| O15 | C16 | C19 | O22 | 155.0° | 0.0° |
| O15 | C16 | C19 | N20 | 27.0° | 180.0° |
| C19 | C16 | H16 | H16A | 120.3° | 120.0° |
| C16 | C19 | O22 | N20 | 177.9° | 179.9° |
| C16 | C19 | N20 | C23 | 178.8° | 175.6° |
| C16 | C19 | N20 | HN20 | 1.2° | 4.5° |
| H16 | C16 | C19 | O22 | 85.0° | 120.0° |
| H16 | C16 | C19 | N20 | 93.0° | 60.0° |
| H16A | C16 | C19 | O22 | 35.0° | 120.0° |
| H16A | C16 | C19 | N20 | 147.0° | 60.0° |
| O22 | C19 | N20 | C23 | 3.3° | 4.5° |
| O22 | C19 | N20 | HN20 | 176.7° | 175.5° |
| C19 | N20 | C23 | HN20 | 180.0° | 180.0° |
| C19 | N20 | C23 | C24 | 5.5° | 35.6° |
| C19 | N20 | C23 | C28 | 178.8° | 144.7° |
| N20 | C23 | C24 | C28 | 175.7° | 179.7° |
| N20 | C23 | C24 | C31 | 176.5° | 180.0° |
| N20 | C23 | C24 | H24 | 3.6° | 0.1° |
| N20 | C23 | C28 | C26 | 178.1° | 180.0° |
| N20 | C23 | C28 | H28 | 1.9° | 0.1° |
| HN20 | N20 | C23 | C24 | 174.5° | 144.4° |
| HN20 | N20 | C23 | C28 | 1.2° | 35.3° |
| C23 | C24 | C31 | H24 | 180.0° | 179.9° |
| C24 | C23 | C28 | C26 | 2.1° | 0.3° |
| C24 | C23 | C28 | H28 | 177.9° | 179.7° |
| C23 | C24 | C31 | C30 | 0.5° | 0.0° |
| C23 | C24 | C31 | N32 | 179.8° | 179.9° |
| C28 | C23 | C24 | C31 | 0.8° | 0.3° |
| C28 | C23 | C24 | H24 | 179.3° | 179.8° |
| C23 | C28 | C26 | H28 | 180.0° | 179.9° |
| C23 | C28 | C26 | C30 | 2.1° | 0.1° |
| C23 | C28 | C26 | H26 | 177.9° | 180.0° |
| C24 | C31 | C30 | C26 | 0.5° | 0.3° |
| C24 | C31 | C30 | N32 | 179.5° | 179.9° |
| C24 | C31 | C30 | N34 | 179.6° | 179.9° |
| C24 | C31 | N32 | N33 | 178.2° | 179.7° |
| H24 | C24 | C31 | C30 | 179.5° | 179.9° |
| H24 | C24 | C31 | N32 | 0.2° | 0.0° |
| C28 | C26 | C30 | H26 | 180.0° | 180.0° |
| C28 | C26 | C30 | C31 | 0.8° | 0.3° |
| C28 | C26 | C30 | N34 | 179.1° | 179.9° |
| H28 | C28 | C26 | C30 | 177.9° | 180.0° |
| H28 | C28 | C26 | H26 | 2.2° | 0.1° |
| C26 | C30 | C31 | N34 | 179.9° | 179.8° |
| C26 | C30 | N34 | N33 | 178.8° | 180.0° |
| C26 | C30 | C31 | N32 | 180.0° | 179.8° |
| H26 | C26 | C30 | C31 | 179.2° | 179.7° |
| H26 | C26 | C30 | N34 | 0.9° | 0.0° |
| C31 | C30 | N34 | N33 | 1.3° | 0.3° |
| C30 | C31 | N32 | N33 | 1.2° | 0.2° |
| N34 | C30 | C31 | N32 | 0.1° | 0.0° |
| C30 | N34 | N33 | N32 | 2.2° | 0.4° |
| C30 | N34 | N33 | C35 | 178.8° | 179.9° |
| N34 | N33 | N32 | C31 | 2.2° | 0.4° |
| N34 | N33 | N32 | C35 | 176.7° | 179.5° |
| N34 | N33 | C35 | C36 | 173.5° | 179.2° |
| N34 | N33 | C35 | C43 | 5.7° | 0.5° |
| C31 | N32 | N33 | C35 | 178.9° | 179.9° |
| N32 | N33 | C35 | C36 | 2.8° | 0.3° |
| N32 | N33 | C35 | C43 | 178.0° | 180.0° |
| N33 | C35 | C36 | C43 | 179.3° | 179.7° |
| N33 | C35 | C36 | C38 | 179.9° | 180.0° |
| N33 | C35 | C36 | H36 | 0.1° | 0.1° |
| N33 | C35 | C43 | C41 | 178.6° | 179.7° |
| N33 | C35 | C43 | H43 | 1.3° | 0.0° |
| C35 | C36 | C38 | H36 | 180.0° | 179.9° |
| C35 | C36 | C38 | C40 | 1.5° | 0.0° |
| C35 | C36 | C38 | H38 | 178.5° | 180.0° |
| C36 | C35 | C43 | C41 | 0.6° | 0.6° |
| C36 | C35 | C43 | H43 | 179.4° | 179.7° |
| C43 | C35 | C36 | C38 | 0.8° | 0.3° |
| C43 | C35 | C36 | H36 | 179.2° | 179.8° |
| C35 | C43 | C41 | C40 | 1.3° | 0.5° |
| C35 | C43 | C41 | H43 | 180.0° | 179.7° |
| C35 | C43 | C41 | H41 | 178.7° | 179.7° |
| C36 | C38 | C40 | H38 | 180.0° | 180.0° |
| C36 | C38 | C40 | C45 | 179.3° | 180.0° |
| C36 | C38 | C40 | C41 | 0.8° | 0.1° |
| H36 | C36 | C38 | C40 | 178.5° | 179.9° |
| H36 | C36 | C38 | H38 | 1.5° | 0.1° |
| C38 | C40 | C45 | C41 | 178.5° | 179.9° |
| C38 | C40 | C45 | H45 | 90.7° | 90.0° |
| C38 | C40 | C45 | H45A | 149.4° | 150.0° |
| C38 | C40 | C45 | H45B | 29.3° | 30.0° |
| C38 | C40 | C41 | C43 | 0.6° | 0.2° |
| C38 | C40 | C41 | H41 | 179.4° | 180.0° |
| H38 | C38 | C40 | C45 | 0.7° | 0.0° |
| H38 | C38 | C40 | C41 | 179.2° | 180.0° |
| C40 | C45 | H45 | H45A | 120.0° | 120.0° |
| C40 | C45 | H45 | H45B | 120.0° | 120.0° |
| C40 | C45 | H45A | H45B | 120.0° | 120.0° |
| C45 | C40 | C41 | C43 | 177.9° | 179.7° |
| C45 | C40 | C41 | H41 | 2.1° | 0.0° |
| C41 | C40 | C45 | H45 | 90.8° | 90.0° |
| C41 | C40 | C45 | H45A | 29.2° | 30.0° |
| C41 | C40 | C45 | H45B | 149.2° | 150.0° |
| C40 | C41 | C43 | H41 | 180.0° | 179.7° |
| C40 | C41 | C43 | H43 | 178.8° | 179.8° |
| H45 | C45 | H45A | H45B | 120.0° | 120.0° |
| H41 | C41 | C43 | H43 | 1.2° | 0.0° |
