7Q1
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O09 | C08 | doub | 1.21Å | 1.23Å | |
| C02 | C01 | doub | 1.38Å | 1.37Å | Aromatic |
| C02 | C03 | sing | 1.38Å | 1.39Å | Aromatic |
| C01 | C06 | sing | 1.38Å | 1.37Å | Aromatic |
| C03 | C04 | doub | 1.38Å | 1.40Å | Aromatic |
| C06 | C05 | doub | 1.38Å | 1.40Å | Aromatic |
| C08 | N10 | sing | 1.35Å | 1.39Å | |
| C08 | C07 | sing | 1.52Å | 1.48Å | |
| C04 | C05 | sing | 1.38Å | 1.40Å | Aromatic |
| C04 | C07 | sing | 1.51Å | 1.51Å | |
| N10 | C11 | sing | 1.34Å | 1.40Å | |
| C07 | O13 | sing | 1.46Å | 1.41Å | |
| C11 | O13 | sing | 1.34Å | 1.41Å | |
| C11 | O12 | doub | 1.21Å | 1.22Å | |
| C01 | H1 | sing | 1.08Å | 1.08Å | |
| C02 | H2 | sing | 1.08Å | 1.08Å | |
| C03 | H3 | sing | 1.08Å | 1.08Å | |
| C05 | H4 | sing | 1.08Å | 1.08Å | |
| C06 | H5 | sing | 1.08Å | 1.08Å | |
| C07 | H6 | sing | 1.09Å | 1.10Å | |
| N10 | H7 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O09 | C08 | N10 | 122.5° | 127.2° |
| O09 | C08 | C07 | 125.9° | 127.2° |
| C01 | C02 | C03 | 121.8° | 120.0° |
| C02 | C01 | C06 | 117.6° | 120.0° |
| C02 | C01 | H1 | 121.2° | 120.0° |
| C01 | C02 | H2 | 119.1° | 120.0° |
| C02 | C03 | C04 | 120.4° | 120.0° |
| C03 | C02 | H2 | 119.1° | 120.0° |
| C02 | C03 | H3 | 119.8° | 120.0° |
| C01 | C06 | C05 | 123.1° | 120.0° |
| C06 | C01 | H1 | 121.2° | 120.0° |
| C01 | C06 | H5 | 118.4° | 120.0° |
| C03 | C04 | C05 | 118.6° | 120.0° |
| C03 | C04 | C07 | 119.4° | 120.0° |
| C04 | C03 | H3 | 119.8° | 120.0° |
| C06 | C05 | C04 | 118.3° | 120.0° |
| C06 | C05 | H4 | 120.8° | 120.0° |
| C05 | C06 | H5 | 118.4° | 120.0° |
| N10 | C08 | C07 | 111.6° | 105.6° |
| C08 | N10 | C11 | 104.0° | 111.3° |
| C08 | N10 | H7 | 128.0° | 124.3° |
| C08 | C07 | C04 | 109.3° | 110.6° |
| C08 | C07 | O13 | 104.1° | 103.8° |
| C08 | C07 | H6 | 110.5° | 110.7° |
| C05 | C04 | C07 | 122.0° | 120.0° |
| C04 | C05 | H4 | 120.8° | 120.0° |
| C04 | C07 | O13 | 111.2° | 110.5° |
| C04 | C07 | H6 | 110.0° | 110.5° |
| N10 | C11 | O13 | 112.6° | 112.4° |
| N10 | C11 | O12 | 126.1° | 123.8° |
| C11 | N10 | H7 | 128.0° | 124.4° |
| C07 | O13 | C11 | 107.5° | 106.9° |
| O13 | C07 | H6 | 111.5° | 110.6° |
| O13 | C11 | O12 | 121.0° | 123.8° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O09 | C08 | N10 | C07 | 177.6° | 180.0° |
| O09 | C08 | C07 | C04 | 64.4° | 61.4° |
| O09 | C08 | N10 | C11 | 179.9° | 180.0° |
| O09 | C08 | C07 | O13 | 176.7° | 180.0° |
| O09 | C08 | C07 | H6 | 56.8° | 61.4° |
| O09 | C08 | N10 | H7 | 0.1° | 0.0° |
| C01 | C02 | C03 | H2 | 180.0° | 179.9° |
| C02 | C01 | C06 | H1 | 180.0° | 179.7° |
| C01 | C02 | C03 | C04 | 3.2° | 0.1° |
| C02 | C01 | C06 | C05 | 5.1° | 0.0° |
| C01 | C02 | C03 | H3 | 176.8° | 180.0° |
| C02 | C01 | C06 | H5 | 174.8° | 179.7° |
| C03 | C02 | C01 | C06 | 5.0° | 0.1° |
| C02 | C03 | C04 | H3 | 180.0° | 179.9° |
| C02 | C03 | C04 | C05 | 1.2° | 0.1° |
| C02 | C03 | C04 | C07 | 177.6° | 179.9° |
| C03 | C02 | C01 | H1 | 175.0° | 179.7° |
| C01 | C06 | C05 | H5 | 180.0° | 179.7° |
| C01 | C06 | C05 | C04 | 3.3° | 0.0° |
| C06 | C01 | C02 | H2 | 175.0° | 180.0° |
| C01 | C06 | C05 | H4 | 176.7° | 180.0° |
| C03 | C04 | C05 | C06 | 1.2° | 0.0° |
| C03 | C04 | C07 | C08 | 109.5° | 99.2° |
| C03 | C04 | C05 | C07 | 178.7° | 179.9° |
| C03 | C04 | C07 | O13 | 136.0° | 146.5° |
| C04 | C03 | C02 | H2 | 176.8° | 180.0° |
| C03 | C04 | C05 | H4 | 178.8° | 180.0° |
| C03 | C04 | C07 | H6 | 11.9° | 23.8° |
| C06 | C05 | C04 | H4 | 180.0° | 180.0° |
| C06 | C05 | C04 | C07 | 177.5° | 179.9° |
| C05 | C06 | C01 | H1 | 174.9° | 179.7° |
| N10 | C08 | C07 | C04 | 118.1° | 118.6° |
| C08 | N10 | C11 | H7 | 180.0° | 180.0° |
| N10 | C08 | C07 | O13 | 0.9° | 0.0° |
| C08 | N10 | C11 | O13 | 5.1° | 0.0° |
| C08 | N10 | C11 | O12 | 178.3° | 180.0° |
| N10 | C08 | C07 | H6 | 120.7° | 118.6° |
| C08 | C07 | C04 | C05 | 69.2° | 80.7° |
| C08 | C07 | C04 | O13 | 114.4° | 114.3° |
| C08 | C07 | C04 | H6 | 121.5° | 123.0° |
| C07 | C08 | N10 | C11 | 2.4° | 0.0° |
| C08 | C07 | O13 | H6 | 119.1° | 118.8° |
| C08 | C07 | O13 | C11 | 3.9° | 0.0° |
| C07 | C08 | N10 | H7 | 177.6° | 180.0° |
| C05 | C04 | C07 | O13 | 45.2° | 33.6° |
| C05 | C04 | C03 | H3 | 178.8° | 180.0° |
| C04 | C05 | C06 | H5 | 176.7° | 179.8° |
| C05 | C04 | C07 | H6 | 169.3° | 156.3° |
| C04 | C07 | O13 | H6 | 123.2° | 122.6° |
| C04 | C07 | O13 | C11 | 113.8° | 118.6° |
| C07 | C04 | C03 | H3 | 2.4° | 0.1° |
| C07 | C04 | C05 | H4 | 2.5° | 0.1° |
| N10 | C11 | O13 | C07 | 5.8° | 0.0° |
| N10 | C11 | O13 | O12 | 173.6° | 180.0° |
| C07 | O13 | C11 | O12 | 179.4° | 180.0° |
| C11 | O13 | C07 | H6 | 123.0° | 118.7° |
| O13 | C11 | N10 | H7 | 175.0° | 180.0° |
| O12 | C11 | N10 | H7 | 1.7° | 0.0° |
| H1 | C01 | C02 | H2 | 5.0° | 0.3° |
| H1 | C01 | C06 | H5 | 5.1° | 0.1° |
| H2 | C02 | C03 | H3 | 3.2° | 0.1° |
| H4 | C05 | C06 | H5 | 3.3° | 0.2° |
