WB1
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N08 | C07 | sing | 1.35Å | 1.31Å | Aromatic |
| N08 | C09 | sing | 1.38Å | 1.33Å | Aromatic |
| C07 | C06 | doub | 1.37Å | 1.38Å | Aromatic |
| C09 | C10 | doub | 1.39Å | 1.38Å | Aromatic |
| C09 | C05 | sing | 1.40Å | 1.37Å | Aromatic |
| O13 | C11 | doub | 1.22Å | 1.24Å | |
| C06 | C11 | sing | 1.47Å | 1.52Å | |
| C06 | C05 | sing | 1.48Å | 1.40Å | Aromatic |
| C10 | C02 | sing | 1.38Å | 1.39Å | Aromatic |
| C11 | O12 | sing | 1.35Å | 1.25Å | |
| C05 | C04 | doub | 1.39Å | 1.41Å | Aromatic |
| C02 | C01 | sing | 1.51Å | 1.53Å | |
| C02 | C03 | doub | 1.39Å | 1.38Å | Aromatic |
| C04 | C03 | sing | 1.38Å | 1.37Å | Aromatic |
| C10 | H101 | sing | 1.08Å | 1.08Å | |
| C01 | H011 | sing | 1.09Å | 1.10Å | |
| C01 | H013 | sing | 1.09Å | 1.10Å | |
| C01 | H012 | sing | 1.09Å | 1.10Å | |
| C03 | H031 | sing | 1.08Å | 1.08Å | |
| C04 | H041 | sing | 1.08Å | 1.08Å | |
| C07 | H071 | sing | 1.08Å | 1.08Å | |
| N08 | H081 | sing | 0.97Å | 1.00Å | |
| O12 | H1 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C07 | N08 | C09 | 110.0° | 110.5° |
| N08 | C07 | C06 | 109.0° | 109.7° |
| N08 | C07 | H071 | 125.5° | 125.1° |
| C07 | N08 | H081 | 125.0° | 124.7° |
| N08 | C09 | C10 | 130.6° | 133.1° |
| N08 | C09 | C05 | 108.9° | 107.5° |
| C09 | N08 | H081 | 125.0° | 124.8° |
| C07 | C06 | C11 | 125.4° | 126.8° |
| C07 | C06 | C05 | 106.0° | 106.4° |
| C06 | C07 | H071 | 125.5° | 125.1° |
| C10 | C09 | C05 | 120.5° | 119.4° |
| C09 | C10 | C02 | 120.2° | 119.9° |
| C09 | C10 | H101 | 119.9° | 120.0° |
| C09 | C05 | C06 | 106.1° | 105.9° |
| C09 | C05 | C04 | 119.2° | 120.1° |
| O13 | C11 | C06 | 118.8° | 120.0° |
| O13 | C11 | O12 | 120.1° | 120.0° |
| C11 | C06 | C05 | 128.6° | 126.8° |
| C06 | C11 | O12 | 121.1° | 120.0° |
| C06 | C05 | C04 | 134.7° | 134.0° |
| C10 | C02 | C01 | 120.8° | 119.7° |
| C10 | C02 | C03 | 120.0° | 120.6° |
| C02 | C10 | H101 | 119.9° | 120.1° |
| C11 | O12 | H1 | 109.5° | 117.1° |
| C05 | C04 | C03 | 120.4° | 119.7° |
| C05 | C04 | H041 | 119.8° | 120.1° |
| C01 | C02 | C03 | 119.2° | 119.7° |
| C02 | C01 | H011 | 109.5° | 109.5° |
| C02 | C01 | H013 | 109.5° | 109.5° |
| C02 | C01 | H012 | 109.4° | 109.5° |
| C02 | C03 | C04 | 119.7° | 120.3° |
| C02 | C03 | H031 | 120.2° | 119.8° |
| C04 | C03 | H031 | 120.1° | 119.8° |
| C03 | C04 | H041 | 119.8° | 120.2° |
| H011 | C01 | H013 | 109.5° | 109.4° |
| H011 | C01 | H012 | 109.5° | 109.5° |
| H013 | C01 | H012 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C07 | N08 | C09 | H081 | 180.0° | 179.8° |
| N08 | C07 | C06 | H071 | 180.0° | 180.0° |
| C07 | N08 | C09 | C10 | 179.5° | 179.5° |
| C07 | N08 | C09 | C05 | 0.6° | 0.4° |
| N08 | C07 | C06 | C11 | 179.4° | 180.0° |
| N08 | C07 | C06 | C05 | 0.1° | 0.0° |
| C09 | N08 | C07 | C06 | 0.4° | 0.2° |
| N08 | C09 | C10 | C05 | 178.8° | 179.1° |
| N08 | C09 | C05 | C06 | 0.6° | 0.4° |
| N08 | C09 | C10 | C02 | 179.5° | 179.6° |
| N08 | C09 | C05 | C04 | 179.7° | 179.8° |
| N08 | C09 | C10 | H101 | 0.5° | 0.7° |
| C09 | N08 | C07 | H071 | 179.6° | 179.7° |
| C07 | C06 | C05 | C09 | 0.3° | 0.3° |
| C07 | C06 | C11 | O13 | 2.4° | 179.9° |
| C07 | C06 | C11 | C05 | 179.2° | 179.9° |
| C07 | C06 | C11 | O12 | 177.3° | 0.0° |
| C07 | C06 | C05 | C04 | 180.0° | 180.0° |
| C06 | C07 | N08 | H081 | 179.6° | 180.0° |
| C10 | C09 | C05 | C06 | 179.6° | 179.7° |
| C09 | C10 | C02 | H101 | 180.0° | 179.8° |
| C10 | C09 | C05 | C04 | 0.6° | 0.6° |
| C09 | C10 | C02 | C01 | 179.8° | 179.7° |
| C09 | C10 | C02 | C03 | 0.2° | 0.2° |
| C10 | C09 | N08 | H081 | 0.5° | 0.7° |
| C09 | C05 | C06 | C11 | 179.1° | 179.8° |
| C09 | C05 | C06 | C04 | 179.7° | 179.7° |
| C05 | C09 | C10 | C02 | 0.7° | 0.5° |
| C09 | C05 | C04 | C03 | 0.2° | 0.3° |
| C05 | C09 | C10 | H101 | 179.3° | 179.7° |
| C09 | C05 | C04 | H041 | 179.9° | 179.8° |
| C05 | C09 | N08 | H081 | 179.4° | 179.8° |
| O13 | C11 | C06 | O12 | 179.7° | 180.0° |
| O13 | C11 | C06 | C05 | 178.4° | 0.0° |
| O13 | C11 | O12 | H1 | 0.0° | 0.0° |
| C11 | C06 | C05 | C04 | 0.7° | 0.1° |
| C11 | C06 | C07 | H071 | 0.6° | 0.1° |
| C06 | C11 | O12 | H1 | 179.7° | 180.0° |
| C05 | C06 | C11 | O12 | 2.0° | 180.0° |
| C06 | C05 | C04 | C03 | 179.9° | 180.0° |
| C06 | C05 | C04 | H041 | 0.2° | 0.1° |
| C05 | C06 | C07 | H071 | 179.9° | 180.0° |
| C10 | C02 | C01 | C03 | 179.9° | 180.0° |
| C10 | C02 | C03 | C04 | 0.2° | 0.0° |
| C10 | C02 | C01 | H011 | 90.0° | 90.0° |
| C10 | C02 | C01 | H013 | 149.9° | 150.0° |
| C10 | C02 | C01 | H012 | 30.0° | 30.0° |
| C10 | C02 | C03 | H031 | 179.8° | 180.0° |
| C05 | C04 | C03 | C02 | 0.2° | 0.0° |
| C05 | C04 | C03 | H041 | 180.0° | 179.9° |
| C05 | C04 | C03 | H031 | 179.8° | 180.0° |
| C01 | C02 | C03 | C04 | 179.7° | 180.0° |
| C01 | C02 | C10 | H101 | 0.2° | 0.1° |
| C02 | C01 | H011 | H013 | 120.0° | 120.0° |
| C02 | C01 | H011 | H012 | 120.0° | 120.1° |
| C02 | C01 | H013 | H012 | 120.0° | 120.0° |
| C01 | C02 | C03 | H031 | 0.3° | 0.0° |
| C02 | C03 | C04 | H031 | 180.0° | 180.0° |
| C03 | C02 | C10 | H101 | 179.7° | 180.0° |
| C03 | C02 | C01 | H011 | 90.1° | 89.9° |
| C03 | C02 | C01 | H013 | 30.0° | 30.0° |
| C03 | C02 | C01 | H012 | 149.9° | 150.0° |
| C02 | C03 | C04 | H041 | 179.7° | 180.0° |
| H011 | C01 | H013 | H012 | 120.0° | 120.0° |
| H031 | C03 | C04 | H041 | 0.2° | 0.0° |
| H071 | C07 | N08 | H081 | 0.4° | 0.1° |
