QB6
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N10 | S09 | sing | 1.66Å | 1.71Å | |
| O11 | S09 | doub | 1.42Å | 1.47Å | |
| S09 | O12 | doub | 1.42Å | 1.47Å | |
| S09 | C07 | sing | 1.76Å | 1.81Å | |
| C07 | C08 | doub | 1.38Å | 1.39Å | Aromatic |
| C07 | C06 | sing | 1.38Å | 1.39Å | Aromatic |
| C08 | C02 | sing | 1.39Å | 1.39Å | Aromatic |
| C06 | C05 | doub | 1.38Å | 1.38Å | Aromatic |
| C02 | N01 | sing | 1.40Å | 1.45Å | |
| C02 | C03 | doub | 1.39Å | 1.39Å | Aromatic |
| C05 | C03 | sing | 1.38Å | 1.39Å | Aromatic |
| C03 | O04 | sing | 1.36Å | 1.40Å | |
| C05 | H1 | sing | 1.08Å | 1.08Å | |
| C06 | H2 | sing | 1.08Å | 1.08Å | |
| C08 | H3 | sing | 1.08Å | 1.08Å | |
| N01 | H4 | sing | 0.97Å | 1.00Å | |
| N01 | H5 | sing | 0.97Å | 1.00Å | |
| N10 | H6 | sing | 0.97Å | 1.00Å | |
| N10 | H7 | sing | 0.97Å | 1.00Å | |
| O04 | H8 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N10 | S09 | O11 | 111.3° | 106.4° |
| N10 | S09 | O12 | 111.7° | 106.4° |
| N10 | S09 | C07 | 109.7° | 107.2° |
| S09 | N10 | H6 | 109.5° | 120.0° |
| S09 | N10 | H7 | 109.5° | 120.1° |
| O11 | S09 | O12 | 101.3° | 123.1° |
| O11 | S09 | C07 | 111.1° | 106.4° |
| O12 | S09 | C07 | 111.5° | 106.4° |
| S09 | C07 | C08 | 119.9° | 119.9° |
| S09 | C07 | C06 | 119.9° | 119.9° |
| C08 | C07 | C06 | 120.1° | 120.2° |
| C07 | C08 | C02 | 119.8° | 119.9° |
| C07 | C08 | H3 | 120.1° | 120.0° |
| C07 | C06 | C05 | 120.0° | 120.2° |
| C07 | C06 | H2 | 120.0° | 119.9° |
| C08 | C02 | N01 | 119.9° | 120.0° |
| C08 | C02 | C03 | 120.1° | 119.8° |
| C02 | C08 | H3 | 120.1° | 120.1° |
| C06 | C05 | C03 | 119.9° | 120.0° |
| C06 | C05 | H1 | 120.1° | 120.0° |
| C05 | C06 | H2 | 120.0° | 119.9° |
| N01 | C02 | C03 | 120.0° | 120.1° |
| C02 | N01 | H4 | 109.5° | 120.0° |
| C02 | N01 | H5 | 109.5° | 120.0° |
| C02 | C03 | C05 | 120.1° | 119.8° |
| C02 | C03 | O04 | 120.0° | 120.1° |
| C05 | C03 | O04 | 119.9° | 120.1° |
| C03 | C05 | H1 | 120.0° | 120.0° |
| C03 | O04 | H8 | 109.5° | 114.0° |
| H4 | N01 | H5 | 109.5° | 120.0° |
| H6 | N10 | H7 | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N10 | S09 | O11 | O12 | 118.8° | 122.9° |
| N10 | S09 | O11 | C07 | 122.5° | 114.1° |
| N10 | S09 | O12 | C07 | 123.1° | 114.1° |
| N10 | S09 | C07 | C08 | 38.7° | 90.0° |
| N10 | S09 | C07 | C06 | 141.0° | 90.5° |
| S09 | N10 | H6 | H7 | 120.0° | 179.9° |
| O11 | S09 | O12 | C07 | 118.3° | 123.0° |
| O11 | S09 | C07 | C08 | 162.2° | 156.5° |
| O11 | S09 | C07 | C06 | 17.5° | 23.0° |
| O11 | S09 | N10 | H6 | 180.0° | 156.5° |
| O11 | S09 | N10 | H7 | 60.0° | 23.6° |
| O12 | S09 | C07 | C08 | 85.5° | 23.5° |
| O12 | S09 | C07 | C06 | 94.8° | 155.9° |
| O12 | S09 | N10 | H6 | 67.5° | 23.6° |
| O12 | S09 | N10 | H7 | 52.5° | 156.5° |
| S09 | C07 | C08 | C06 | 179.6° | 179.4° |
| S09 | C07 | C08 | C02 | 179.9° | 180.0° |
| S09 | C07 | C06 | C05 | 179.9° | 179.7° |
| S09 | C07 | C06 | H2 | 0.0° | 0.2° |
| S09 | C07 | C08 | H3 | 0.1° | 0.6° |
| C07 | S09 | N10 | H6 | 56.6° | 90.0° |
| C07 | S09 | N10 | H7 | 176.7° | 89.9° |
| C07 | C08 | C02 | H3 | 180.0° | 179.4° |
| C08 | C07 | C06 | C05 | 0.3° | 0.2° |
| C07 | C08 | C02 | N01 | 179.9° | 179.7° |
| C07 | C08 | C02 | C03 | 0.1° | 0.6° |
| C08 | C07 | C06 | H2 | 179.7° | 179.7° |
| C06 | C07 | C08 | C02 | 0.3° | 0.6° |
| C07 | C06 | C05 | H2 | 180.0° | 179.9° |
| C07 | C06 | C05 | C03 | 0.2° | 0.1° |
| C07 | C06 | C05 | H1 | 179.8° | 179.9° |
| C06 | C07 | C08 | H3 | 179.8° | 180.0° |
| C08 | C02 | N01 | C03 | 180.0° | 179.7° |
| C08 | C02 | C03 | C05 | 0.0° | 0.2° |
| C08 | C02 | C03 | O04 | 180.0° | 179.8° |
| C08 | C02 | N01 | H4 | 180.0° | 179.7° |
| C08 | C02 | N01 | H5 | 60.0° | 0.3° |
| C06 | C05 | C03 | C02 | 0.0° | 0.1° |
| C06 | C05 | C03 | H1 | 180.0° | 179.9° |
| C06 | C05 | C03 | O04 | 179.9° | 179.9° |
| N01 | C02 | C03 | C05 | 180.0° | 180.0° |
| N01 | C02 | C03 | O04 | 0.0° | 0.0° |
| N01 | C02 | C08 | H3 | 0.1° | 0.3° |
| C02 | N01 | H4 | H5 | 120.0° | 180.0° |
| C02 | C03 | C05 | O04 | 179.9° | 180.0° |
| C02 | C03 | C05 | H1 | 180.0° | 179.9° |
| C03 | C02 | C08 | H3 | 179.9° | 180.0° |
| C03 | C02 | N01 | H4 | 0.0° | 0.0° |
| C03 | C02 | N01 | H5 | 120.0° | 180.0° |
| C02 | C03 | O04 | H8 | 180.0° | 90.1° |
| C03 | C05 | C06 | H2 | 179.8° | 180.0° |
| C05 | C03 | O04 | H8 | 0.0° | 89.9° |
| O04 | C03 | C05 | H1 | 0.1° | 0.1° |
| H1 | C05 | C06 | H2 | 0.2° | 0.1° |
