H8B
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C29 | N28 | sing | 1.47Å | 1.45Å | |
| N28 | C27 | sing | 1.47Å | 1.47Å | |
| C27 | C26 | sing | 1.51Å | 1.52Å | |
| C26 | C21 | doub | 1.38Å | 1.42Å | Aromatic |
| C26 | C25 | sing | 1.39Å | 1.42Å | Aromatic |
| O12 | C25 | sing | 1.36Å | 1.44Å | |
| O12 | C11 | sing | 1.43Å | 1.43Å | |
| C07 | C06 | doub | 1.36Å | 1.42Å | Aromatic |
| C07 | C08 | sing | 1.39Å | 1.39Å | Aromatic |
| C21 | C22 | sing | 1.38Å | 1.40Å | Aromatic |
| C25 | C24 | doub | 1.39Å | 1.39Å | Aromatic |
| C06 | C05 | sing | 1.40Å | 1.45Å | Aromatic |
| C11 | C08 | sing | 1.51Å | 1.55Å | |
| C08 | C09 | doub | 1.36Å | 1.43Å | Aromatic |
| C22 | C23 | doub | 1.38Å | 1.41Å | Aromatic |
| C24 | C23 | sing | 1.38Å | 1.42Å | Aromatic |
| C05 | C04 | doub | 1.41Å | 1.43Å | Aromatic |
| C05 | C10 | sing | 1.42Å | 1.36Å | Aromatic |
| C04 | C03 | sing | 1.36Å | 1.41Å | Aromatic |
| C09 | C10 | sing | 1.41Å | 1.45Å | Aromatic |
| C10 | N01 | doub | 1.34Å | 1.39Å | Aromatic |
| C03 | C02 | doub | 1.40Å | 1.40Å | Aromatic |
| N01 | C02 | sing | 1.32Å | 1.35Å | Aromatic |
| C02 | N02 | sing | 1.39Å | 1.46Å | |
| N02 | H1 | sing | 0.97Å | 1.00Å | |
| N02 | H2 | sing | 0.97Å | 1.00Å | |
| C03 | H3 | sing | 1.08Å | 1.08Å | |
| C04 | H4 | sing | 1.08Å | 1.08Å | |
| C06 | H5 | sing | 1.08Å | 1.08Å | |
| C07 | H6 | sing | 1.08Å | 1.08Å | |
| C09 | H7 | sing | 1.08Å | 1.08Å | |
| C11 | H8 | sing | 1.09Å | 1.10Å | |
| C11 | H9 | sing | 1.09Å | 1.10Å | |
| C21 | H10 | sing | 1.08Å | 1.08Å | |
| C22 | H11 | sing | 1.08Å | 1.08Å | |
| C23 | H12 | sing | 1.08Å | 1.08Å | |
| C24 | H13 | sing | 1.08Å | 1.08Å | |
| C27 | H14 | sing | 1.09Å | 1.10Å | |
| C27 | H15 | sing | 1.09Å | 1.10Å | |
| N28 | H16 | sing | 1.01Å | 1.00Å | |
| C29 | H18 | sing | 1.09Å | 1.10Å | |
| C29 | H19 | sing | 1.09Å | 1.10Å | |
| C29 | H20 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C29 | N28 | C27 | 109.3° | 111.0° |
| C29 | N28 | H16 | 109.5° | 111.0° |
| N28 | C29 | H18 | 109.5° | 109.5° |
| N28 | C29 | H19 | 109.5° | 109.4° |
| N28 | C29 | H20 | 109.5° | 109.5° |
| N28 | C27 | C26 | 114.3° | 109.5° |
| N28 | C27 | H14 | 108.2° | 109.5° |
| N28 | C27 | H15 | 108.2° | 109.4° |
| C27 | N28 | H16 | 109.5° | 110.9° |
| C27 | C26 | C21 | 118.7° | 120.0° |
| C27 | C26 | C25 | 121.1° | 120.0° |
| C26 | C27 | H14 | 108.3° | 109.4° |
| C26 | C27 | H15 | 108.3° | 109.4° |
| C21 | C26 | C25 | 120.2° | 120.0° |
| C26 | C21 | C22 | 120.7° | 120.0° |
| C26 | C21 | H10 | 119.7° | 120.0° |
| C26 | C25 | O12 | 120.1° | 120.1° |
| C26 | C25 | C24 | 119.4° | 119.9° |
| C25 | O12 | C11 | 117.9° | 117.0° |
| O12 | C25 | C24 | 120.5° | 120.1° |
| O12 | C11 | C08 | 105.3° | 109.5° |
| O12 | C11 | H8 | 110.5° | 109.5° |
| O12 | C11 | H9 | 110.5° | 109.5° |
| C06 | C07 | C08 | 118.8° | 120.8° |
| C07 | C06 | C05 | 120.9° | 119.6° |
| C07 | C06 | H5 | 119.6° | 120.1° |
| C06 | C07 | H6 | 120.6° | 119.6° |
| C07 | C08 | C11 | 119.7° | 119.5° |
| C07 | C08 | C09 | 120.5° | 121.1° |
| C08 | C07 | H6 | 120.6° | 119.6° |
| C21 | C22 | C23 | 118.6° | 120.2° |
| C22 | C21 | H10 | 119.6° | 120.0° |
| C21 | C22 | H11 | 120.7° | 119.9° |
| C25 | C24 | C23 | 120.2° | 119.9° |
| C25 | C24 | H13 | 119.9° | 120.0° |
| C06 | C05 | C04 | 121.2° | 121.2° |
| C06 | C05 | C10 | 120.1° | 119.6° |
| C05 | C06 | H5 | 119.6° | 120.2° |
| C11 | C08 | C09 | 119.8° | 119.5° |
| C08 | C11 | H8 | 110.5° | 109.5° |
| C08 | C11 | H9 | 110.5° | 109.4° |
| C08 | C09 | C10 | 120.0° | 119.8° |
| C08 | C09 | H7 | 120.0° | 120.1° |
| C22 | C23 | C24 | 121.0° | 120.1° |
| C23 | C22 | H11 | 120.7° | 119.9° |
| C22 | C23 | H12 | 119.5° | 120.0° |
| C24 | C23 | H12 | 119.5° | 119.9° |
| C23 | C24 | H13 | 119.9° | 120.1° |
| C04 | C05 | C10 | 118.8° | 119.1° |
| C05 | C04 | C03 | 119.7° | 118.3° |
| C05 | C04 | H4 | 120.1° | 120.9° |
| C05 | C10 | C09 | 119.7° | 119.1° |
| C05 | C10 | N01 | 120.7° | 119.9° |
| C04 | C03 | C02 | 119.2° | 119.9° |
| C04 | C03 | H3 | 120.4° | 120.1° |
| C03 | C04 | H4 | 120.2° | 120.8° |
| C09 | C10 | N01 | 119.6° | 121.0° |
| C10 | C09 | H7 | 120.0° | 120.1° |
| C10 | N01 | C02 | 121.9° | 121.2° |
| C03 | C02 | N01 | 119.8° | 121.5° |
| C03 | C02 | N02 | 120.9° | 119.3° |
| C02 | C03 | H3 | 120.4° | 120.1° |
| N01 | C02 | N02 | 119.3° | 119.2° |
| C02 | N02 | H1 | 109.5° | 120.1° |
| C02 | N02 | H2 | 109.4° | 120.0° |
| H1 | N02 | H2 | 109.5° | 119.9° |
| H8 | C11 | H9 | 109.4° | 109.5° |
| H14 | C27 | H15 | 109.5° | 109.5° |
| H18 | C29 | H19 | 109.4° | 109.4° |
| H18 | C29 | H20 | 109.5° | 109.4° |
| H19 | C29 | H20 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C29 | N28 | C27 | H16 | 120.0° | 123.9° |
| C29 | N28 | C27 | C26 | 135.1° | 180.0° |
| C29 | N28 | C27 | H14 | 14.3° | 60.0° |
| C29 | N28 | C27 | H15 | 104.2° | 60.1° |
| N28 | C29 | H18 | H19 | 120.0° | 120.0° |
| N28 | C29 | H18 | H20 | 120.0° | 120.0° |
| N28 | C29 | H19 | H20 | 120.0° | 120.1° |
| N28 | C27 | C26 | H14 | 120.7° | 120.0° |
| N28 | C27 | C26 | H15 | 120.7° | 119.9° |
| N28 | C27 | C26 | C21 | 109.3° | 100.0° |
| N28 | C27 | C26 | C25 | 71.6° | 80.5° |
| N28 | C27 | H14 | H15 | 117.7° | 120.0° |
| C27 | N28 | C29 | H18 | 180.0° | 60.0° |
| C27 | N28 | C29 | H19 | 60.0° | 60.0° |
| C27 | N28 | C29 | H20 | 60.0° | 179.9° |
| C27 | C26 | C21 | C25 | 179.1° | 179.5° |
| C27 | C26 | C25 | O12 | 1.0° | 0.2° |
| C27 | C26 | C21 | C22 | 179.8° | 180.0° |
| C27 | C26 | C25 | C24 | 179.6° | 180.0° |
| C27 | C26 | C21 | H10 | 0.2° | 0.2° |
| C26 | C27 | H14 | H15 | 117.8° | 120.0° |
| C26 | C27 | N28 | H16 | 105.0° | 56.1° |
| C21 | C26 | C25 | O12 | 179.9° | 179.7° |
| C26 | C21 | C22 | H10 | 180.0° | 179.7° |
| C21 | C26 | C25 | C24 | 0.5° | 0.5° |
| C26 | C21 | C22 | C23 | 0.7° | 0.3° |
| C26 | C21 | C22 | H11 | 179.3° | 179.8° |
| C21 | C26 | C27 | H14 | 11.4° | 20.0° |
| C21 | C26 | C27 | H15 | 130.0° | 140.1° |
| C26 | C25 | O12 | C24 | 179.5° | 179.8° |
| C26 | C25 | O12 | C11 | 177.7° | 179.8° |
| C25 | C26 | C21 | C22 | 0.6° | 0.5° |
| C26 | C25 | C24 | C23 | 0.4° | 0.3° |
| C25 | C26 | C21 | H10 | 179.4° | 179.8° |
| C26 | C25 | C24 | H13 | 179.7° | 179.8° |
| C25 | C26 | C27 | H14 | 167.7° | 159.5° |
| C25 | C26 | C27 | H15 | 49.1° | 39.5° |
| C25 | O12 | C11 | C08 | 94.0° | 180.0° |
| O12 | C25 | C24 | C23 | 179.8° | 180.0° |
| C25 | O12 | C11 | H8 | 146.7° | 60.0° |
| C25 | O12 | C11 | H9 | 25.4° | 60.0° |
| O12 | C25 | C24 | H13 | 0.2° | 0.1° |
| O12 | C11 | C08 | C07 | 36.9° | 90.0° |
| C11 | O12 | C25 | C24 | 2.8° | 0.0° |
| O12 | C11 | C08 | H8 | 119.4° | 120.1° |
| O12 | C11 | C08 | H9 | 119.3° | 120.0° |
| O12 | C11 | C08 | C09 | 141.4° | 90.0° |
| O12 | C11 | H8 | H9 | 121.9° | 120.0° |
| C06 | C07 | C08 | H6 | 180.0° | 180.0° |
| C07 | C06 | C05 | H5 | 180.0° | 179.9° |
| C06 | C07 | C08 | C11 | 178.5° | 180.0° |
| C06 | C07 | C08 | C09 | 0.2° | 0.0° |
| C07 | C06 | C05 | C04 | 179.9° | 180.0° |
| C07 | C06 | C05 | C10 | 0.6° | 0.0° |
| C08 | C07 | C06 | C05 | 0.0° | 0.0° |
| C07 | C08 | C11 | C09 | 178.3° | 179.9° |
| C07 | C08 | C09 | C10 | 0.1° | 0.1° |
| C08 | C07 | C06 | H5 | 180.0° | 179.9° |
| C07 | C08 | C09 | H7 | 179.9° | 180.0° |
| C07 | C08 | C11 | H8 | 82.4° | 150.0° |
| C07 | C08 | C11 | H9 | 156.3° | 30.0° |
| C21 | C22 | C23 | H11 | 180.0° | 180.0° |
| C21 | C22 | C23 | C24 | 0.6° | 0.0° |
| C21 | C22 | C23 | H12 | 179.4° | 179.9° |
| C25 | C24 | C23 | C22 | 0.5° | 0.0° |
| C25 | C24 | C23 | H13 | 180.0° | 179.9° |
| C25 | C24 | C23 | H12 | 179.5° | 179.9° |
| C06 | C05 | C04 | C10 | 179.5° | 179.9° |
| C06 | C05 | C04 | C03 | 179.4° | 179.9° |
| C06 | C05 | C10 | C09 | 0.9° | 0.0° |
| C06 | C05 | C10 | N01 | 179.5° | 179.9° |
| C06 | C05 | C04 | H4 | 0.6° | 0.1° |
| C05 | C06 | C07 | H6 | 180.0° | 180.0° |
| C11 | C08 | C09 | C10 | 178.2° | 180.0° |
| C11 | C08 | C07 | H6 | 1.5° | 0.0° |
| C11 | C08 | C09 | H7 | 1.8° | 0.1° |
| C08 | C11 | H8 | H9 | 121.9° | 119.9° |
| C08 | C09 | C10 | C05 | 0.7° | 0.1° |
| C08 | C09 | C10 | H7 | 180.0° | 179.9° |
| C08 | C09 | C10 | N01 | 179.3° | 180.0° |
| C09 | C08 | C07 | H6 | 179.8° | 180.0° |
| C09 | C08 | C11 | H8 | 99.3° | 30.1° |
| C09 | C08 | C11 | H9 | 22.0° | 150.0° |
| C22 | C23 | C24 | H12 | 180.0° | 179.9° |
| C23 | C22 | C21 | H10 | 179.3° | 180.0° |
| C22 | C23 | C24 | H13 | 179.6° | 179.9° |
| C24 | C23 | C22 | H11 | 179.4° | 180.0° |
| C05 | C04 | C03 | H4 | 180.0° | 180.0° |
| C04 | C05 | C10 | C09 | 179.6° | 179.9° |
| C04 | C05 | C10 | N01 | 1.0° | 0.0° |
| C05 | C04 | C03 | C02 | 1.1° | 0.0° |
| C05 | C04 | C03 | H3 | 179.0° | 180.0° |
| C04 | C05 | C06 | H5 | 0.1° | 0.1° |
| C10 | C05 | C04 | C03 | 0.1° | 0.0° |
| C05 | C10 | C09 | N01 | 178.6° | 179.9° |
| C05 | C10 | N01 | C02 | 1.3° | 0.0° |
| C10 | C05 | C04 | H4 | 179.9° | 180.0° |
| C10 | C05 | C06 | H5 | 179.5° | 180.0° |
| C05 | C10 | C09 | H7 | 179.3° | 180.0° |
| C04 | C03 | C02 | H3 | 180.0° | 179.9° |
| C04 | C03 | C02 | N01 | 0.8° | 0.0° |
| C04 | C03 | C02 | N02 | 179.6° | 180.0° |
| C09 | C10 | N01 | C02 | 179.8° | 179.9° |
| C10 | N01 | C02 | C03 | 0.3° | 0.0° |
| C10 | N01 | C02 | N02 | 179.3° | 180.0° |
| N01 | C10 | C09 | H7 | 0.7° | 0.1° |
| C03 | C02 | N01 | N02 | 179.6° | 180.0° |
| C03 | C02 | N02 | H1 | 179.6° | 180.0° |
| C03 | C02 | N02 | H2 | 59.6° | 0.0° |
| C02 | C03 | C04 | H4 | 178.9° | 180.0° |
| N01 | C02 | N02 | H1 | 0.0° | 0.1° |
| N01 | C02 | N02 | H2 | 120.0° | 180.0° |
| N01 | C02 | C03 | H3 | 179.2° | 179.9° |
| C02 | N02 | H1 | H2 | 120.0° | 179.9° |
| N02 | C02 | C03 | H3 | 0.4° | 0.0° |
| H3 | C03 | C04 | H4 | 1.0° | 0.0° |
| H5 | C06 | C07 | H6 | 0.0° | 0.0° |
| H10 | C21 | C22 | H11 | 0.7° | 0.0° |
| H11 | C22 | C23 | H12 | 0.6° | 0.0° |
| H12 | C23 | C24 | H13 | 0.4° | 0.0° |
| H14 | C27 | N28 | H16 | 134.3° | 63.9° |
| H15 | C27 | N28 | H16 | 15.8° | 176.0° |
| H16 | N28 | C29 | H18 | 60.1° | 63.9° |
| H16 | N28 | C29 | H19 | 59.9° | 176.1° |
| H16 | N28 | C29 | H20 | 179.9° | 56.1° |
| H18 | C29 | H19 | H20 | 120.0° | 119.9° |
