6OQ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C01 | C02 | sing | 1.53Å | 1.50Å | |
| C02 | B03 | sing | 1.57Å | 1.57Å | |
| N04 | B03 | sing | 1.52Å | 1.36Å | |
| N04 | C05 | sing | 1.36Å | 1.30Å | |
| B03 | C08 | sing | 1.43Å | 1.57Å | |
| C05 | C06 | doub | 1.35Å | 1.40Å | |
| C08 | C07 | doub | 1.36Å | 1.49Å | |
| C06 | C07 | sing | 1.40Å | 1.36Å | |
| C01 | H1 | sing | 1.09Å | 1.10Å | |
| C01 | H2 | sing | 1.09Å | 1.10Å | |
| C01 | H3 | sing | 1.09Å | 1.10Å | |
| C02 | H4 | sing | 1.09Å | 1.10Å | |
| C02 | H5 | sing | 1.09Å | 1.10Å | |
| C05 | H6 | sing | 1.08Å | 1.08Å | |
| C06 | H7 | sing | 1.08Å | 1.08Å | |
| C07 | H8 | sing | 1.08Å | 1.08Å | |
| C08 | H9 | sing | 1.08Å | 1.08Å | |
| N04 | H10 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C01 | C02 | B03 | 114.3° | 109.4° |
| C02 | C01 | H1 | 109.5° | 109.5° |
| C02 | C01 | H2 | 109.5° | 109.5° |
| C02 | C01 | H3 | 109.5° | 109.5° |
| C01 | C02 | H4 | 108.2° | 109.5° |
| C01 | C02 | H5 | 108.3° | 109.5° |
| C02 | B03 | N04 | 120.4° | 121.1° |
| C02 | B03 | C08 | 119.1° | 121.1° |
| B03 | C02 | H4 | 108.2° | 109.5° |
| B03 | C02 | H5 | 108.3° | 109.5° |
| B03 | N04 | C05 | 119.6° | 118.5° |
| N04 | B03 | C08 | 120.5° | 117.8° |
| B03 | N04 | H10 | 106.8° | 120.8° |
| N04 | C05 | C06 | 126.1° | 120.8° |
| N04 | C05 | H6 | 117.0° | 119.7° |
| C05 | N04 | H10 | 106.9° | 120.7° |
| B03 | C08 | C07 | 113.6° | 119.0° |
| B03 | C08 | H9 | 123.2° | 120.5° |
| C05 | C06 | C07 | 120.9° | 122.4° |
| C06 | C05 | H6 | 116.9° | 119.6° |
| C05 | C06 | H7 | 119.6° | 118.8° |
| C08 | C07 | C06 | 119.3° | 121.6° |
| C08 | C07 | H8 | 120.4° | 119.2° |
| C07 | C08 | H9 | 123.2° | 120.5° |
| C07 | C06 | H7 | 119.5° | 118.8° |
| C06 | C07 | H8 | 120.3° | 119.2° |
| H1 | C01 | H2 | 109.4° | 109.5° |
| H1 | C01 | H3 | 109.4° | 109.4° |
| H2 | C01 | H3 | 109.5° | 109.5° |
| H4 | C02 | H5 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C01 | C02 | B03 | H4 | 120.7° | 120.0° |
| C01 | C02 | B03 | H5 | 120.7° | 120.0° |
| C01 | C02 | B03 | N04 | 83.9° | 180.0° |
| C01 | C02 | B03 | C08 | 96.7° | 0.0° |
| C02 | C01 | H1 | H2 | 120.0° | 120.0° |
| C02 | C01 | H1 | H3 | 120.0° | 120.0° |
| C02 | C01 | H2 | H3 | 120.0° | 120.0° |
| C01 | C02 | H4 | H5 | 117.8° | 120.0° |
| C02 | B03 | N04 | C08 | 179.3° | 180.0° |
| C02 | B03 | N04 | C05 | 179.6° | 180.0° |
| C02 | B03 | C08 | C07 | 180.0° | 180.0° |
| B03 | C02 | C01 | H1 | 180.0° | 60.0° |
| B03 | C02 | C01 | H2 | 60.0° | 180.0° |
| B03 | C02 | C01 | H3 | 60.0° | 60.0° |
| B03 | C02 | H4 | H5 | 117.8° | 120.0° |
| C02 | B03 | C08 | H9 | 0.0° | 0.0° |
| C02 | B03 | N04 | H10 | 59.0° | 0.3° |
| B03 | N04 | C05 | H10 | 121.4° | 179.7° |
| B03 | N04 | C05 | C06 | 0.3° | 0.0° |
| N04 | B03 | C08 | C07 | 0.6° | 0.0° |
| N04 | B03 | C02 | H4 | 36.8° | 60.0° |
| N04 | B03 | C02 | H5 | 155.4° | 60.0° |
| B03 | N04 | C05 | H6 | 179.7° | 180.0° |
| N04 | B03 | C08 | H9 | 179.4° | 180.0° |
| C05 | N04 | B03 | C08 | 0.2° | 0.0° |
| N04 | C05 | C06 | H6 | 180.0° | 180.0° |
| N04 | C05 | C06 | C07 | 0.5° | 0.0° |
| N04 | C05 | C06 | H7 | 179.5° | 180.0° |
| B03 | C08 | C07 | H9 | 180.0° | 180.0° |
| B03 | C08 | C07 | C06 | 0.5° | 0.0° |
| C08 | B03 | C02 | H4 | 142.6° | 120.0° |
| C08 | B03 | C02 | H5 | 24.0° | 120.0° |
| B03 | C08 | C07 | H8 | 179.5° | 180.0° |
| C08 | B03 | N04 | H10 | 121.7° | 179.7° |
| C05 | C06 | C07 | C08 | 0.0° | 0.0° |
| C05 | C06 | C07 | H7 | 180.0° | 180.0° |
| C05 | C06 | C07 | H8 | 180.0° | 180.0° |
| C06 | C05 | N04 | H10 | 121.1° | 179.7° |
| C08 | C07 | C06 | H8 | 180.0° | 180.0° |
| C08 | C07 | C06 | H7 | 180.0° | 180.0° |
| C07 | C06 | C05 | H6 | 179.5° | 180.0° |
| C06 | C07 | C08 | H9 | 179.5° | 180.0° |
| H1 | C01 | H2 | H3 | 120.0° | 119.9° |
| H1 | C01 | C02 | H4 | 59.3° | 180.0° |
| H1 | C01 | C02 | H5 | 59.3° | 60.0° |
| H2 | C01 | C02 | H4 | 60.7° | 60.0° |
| H2 | C01 | C02 | H5 | 179.3° | 60.0° |
| H3 | C01 | C02 | H4 | 179.3° | 60.0° |
| H3 | C01 | C02 | H5 | 60.7° | 180.0° |
| H6 | C05 | C06 | H7 | 0.5° | 0.0° |
| H6 | C05 | N04 | H10 | 58.9° | 0.3° |
| H7 | C06 | C07 | H8 | 0.0° | 0.0° |
| H8 | C07 | C08 | H9 | 0.5° | 0.0° |
