7W1
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C08 | C09 | doub | 1.36Å | 1.37Å | Aromatic |
| C08 | C07 | sing | 1.39Å | 1.38Å | Aromatic |
| C09 | C10 | sing | 1.40Å | 1.40Å | Aromatic |
| C07 | C06 | doub | 1.36Å | 1.36Å | Aromatic |
| N12 | C11 | sing | 1.39Å | 1.36Å | |
| C10 | C11 | doub | 1.42Å | 1.43Å | Aromatic |
| C10 | C05 | sing | 1.42Å | 1.41Å | Aromatic |
| C06 | C05 | sing | 1.41Å | 1.42Å | Aromatic |
| C11 | C02 | sing | 1.39Å | 1.39Å | Aromatic |
| C05 | N04 | doub | 1.34Å | 1.38Å | Aromatic |
| C02 | C01 | sing | 1.51Å | 1.51Å | |
| C02 | C03 | doub | 1.39Å | 1.40Å | Aromatic |
| N04 | C03 | sing | 1.31Å | 1.31Å | Aromatic |
| 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 | |
| C06 | H061 | sing | 1.08Å | 1.08Å | |
| C07 | H071 | sing | 1.08Å | 1.08Å | |
| C08 | H081 | sing | 1.08Å | 1.08Å | |
| C09 | H091 | sing | 1.08Å | 1.08Å | |
| N12 | H121 | sing | 0.97Å | 1.00Å | |
| N12 | H122 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C09 | C08 | C07 | 120.8° | 120.8° |
| C08 | C09 | C10 | 120.7° | 119.6° |
| C09 | C08 | H081 | 119.6° | 119.6° |
| C08 | C09 | H091 | 119.7° | 120.2° |
| C08 | C07 | C06 | 120.4° | 121.1° |
| C08 | C07 | H071 | 119.8° | 119.5° |
| C07 | C08 | H081 | 119.6° | 119.6° |
| C09 | C10 | C11 | 123.5° | 121.4° |
| C09 | C10 | C05 | 118.4° | 119.7° |
| C10 | C09 | H091 | 119.6° | 120.2° |
| C07 | C06 | C05 | 120.4° | 119.7° |
| C07 | C06 | H061 | 119.8° | 120.1° |
| C06 | C07 | H071 | 119.8° | 119.5° |
| N12 | C11 | C10 | 118.7° | 121.1° |
| N12 | C11 | C02 | 122.5° | 121.0° |
| C11 | N12 | H121 | 109.5° | 120.0° |
| C11 | N12 | H122 | 109.5° | 120.0° |
| C11 | C10 | C05 | 118.0° | 118.9° |
| C10 | C11 | C02 | 118.7° | 117.9° |
| C10 | C05 | C06 | 119.0° | 119.1° |
| C10 | C05 | N04 | 122.5° | 119.9° |
| C06 | C05 | N04 | 118.4° | 121.0° |
| C05 | C06 | H061 | 119.8° | 120.2° |
| C11 | C02 | C01 | 121.0° | 120.2° |
| C11 | C02 | C03 | 118.2° | 119.7° |
| C05 | N04 | C03 | 117.1° | 121.7° |
| C01 | C02 | C03 | 120.8° | 120.2° |
| C02 | C01 | H011 | 109.5° | 109.5° |
| C02 | C01 | H013 | 109.5° | 109.5° |
| C02 | C01 | H012 | 109.5° | 109.5° |
| C02 | C03 | N04 | 125.5° | 121.9° |
| C02 | C03 | H031 | 117.3° | 119.0° |
| N04 | C03 | H031 | 117.3° | 119.1° |
| H011 | C01 | H013 | 109.5° | 109.5° |
| H011 | C01 | H012 | 109.4° | 109.5° |
| H013 | C01 | H012 | 109.5° | 109.4° |
| H121 | N12 | H122 | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C09 | C08 | C07 | H081 | 180.0° | 180.0° |
| C08 | C09 | C10 | H091 | 180.0° | 179.9° |
| C09 | C08 | C07 | C06 | 3.3° | 0.0° |
| C08 | C09 | C10 | C11 | 179.2° | 180.0° |
| C08 | C09 | C10 | C05 | 3.5° | 0.0° |
| C09 | C08 | C07 | H071 | 176.6° | 180.0° |
| C07 | C08 | C09 | C10 | 0.8° | 0.0° |
| C08 | C07 | C06 | H071 | 180.0° | 180.0° |
| C08 | C07 | C06 | C05 | 1.5° | 0.0° |
| C08 | C07 | C06 | H061 | 178.5° | 180.0° |
| C07 | C08 | C09 | H091 | 179.2° | 179.9° |
| C09 | C10 | C11 | N12 | 3.7° | 0.2° |
| C09 | C10 | C11 | C05 | 175.7° | 180.0° |
| C09 | C10 | C05 | C06 | 5.2° | 0.0° |
| C09 | C10 | C11 | C02 | 175.7° | 180.0° |
| C09 | C10 | C05 | N04 | 177.0° | 180.0° |
| C10 | C09 | C08 | H081 | 179.2° | 180.0° |
| C07 | C06 | C05 | C10 | 2.8° | 0.0° |
| C07 | C06 | C05 | H061 | 180.0° | 179.9° |
| C07 | C06 | C05 | N04 | 179.3° | 180.0° |
| C06 | C07 | C08 | H081 | 176.6° | 180.0° |
| N12 | C11 | C10 | C02 | 179.4° | 179.8° |
| N12 | C11 | C10 | C05 | 179.5° | 179.8° |
| N12 | C11 | C02 | C01 | 0.9° | 0.2° |
| N12 | C11 | C02 | C03 | 179.1° | 179.7° |
| C11 | N12 | H121 | H122 | 120.0° | 179.9° |
| C11 | C10 | C05 | C06 | 178.8° | 180.0° |
| C11 | C10 | C05 | N04 | 1.0° | 0.0° |
| C10 | C11 | C02 | C01 | 179.7° | 180.0° |
| C10 | C11 | C02 | C03 | 0.3° | 0.1° |
| C11 | C10 | C09 | H091 | 0.8° | 0.1° |
| C10 | C11 | N12 | H121 | 180.0° | 179.8° |
| C10 | C11 | N12 | H122 | 60.0° | 0.3° |
| C10 | C05 | C06 | N04 | 177.9° | 179.9° |
| C05 | C10 | C11 | C02 | 0.0° | 0.0° |
| C10 | C05 | N04 | C03 | 2.3° | 0.0° |
| C10 | C05 | C06 | H061 | 177.2° | 180.0° |
| C05 | C10 | C09 | H091 | 176.5° | 179.9° |
| C06 | C05 | N04 | C03 | 179.8° | 180.0° |
| C05 | C06 | C07 | H071 | 178.5° | 180.0° |
| C11 | C02 | C01 | C03 | 180.0° | 179.9° |
| C11 | C02 | C03 | N04 | 1.8° | 0.1° |
| C11 | C02 | C01 | H011 | 90.0° | 90.0° |
| C11 | C02 | C01 | H013 | 150.0° | 150.0° |
| C11 | C02 | C01 | H012 | 30.0° | 30.1° |
| C11 | C02 | C03 | H031 | 178.2° | 180.0° |
| C02 | C11 | N12 | H121 | 0.6° | 0.0° |
| C02 | C11 | N12 | H122 | 119.4° | 179.9° |
| C05 | N04 | C03 | C02 | 2.8° | 0.0° |
| C05 | N04 | C03 | H031 | 177.2° | 179.9° |
| N04 | C05 | C06 | H061 | 0.7° | 0.1° |
| C01 | C02 | C03 | N04 | 178.1° | 180.0° |
| C02 | C01 | H011 | H013 | 120.0° | 120.0° |
| C02 | C01 | H011 | H012 | 120.0° | 120.0° |
| C02 | C01 | H013 | H012 | 120.0° | 120.0° |
| C01 | C02 | C03 | H031 | 1.9° | 0.1° |
| C02 | C03 | N04 | H031 | 180.0° | 179.9° |
| C03 | C02 | C01 | H011 | 90.0° | 89.9° |
| C03 | C02 | C01 | H013 | 30.0° | 30.1° |
| C03 | C02 | C01 | H012 | 150.0° | 150.0° |
| H011 | C01 | H013 | H012 | 120.0° | 120.0° |
| H061 | C06 | C07 | H071 | 1.5° | 0.0° |
| H071 | C07 | C08 | H081 | 3.4° | 0.0° |
| H081 | C08 | C09 | H091 | 0.8° | 0.1° |
