6J1
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O11 | C05 | sing | 1.36Å | 1.35Å | |
| O10 | N08 | doub | 1.22Å | 1.20Å | |
| O14 | N12 | doub | 1.22Å | 1.21Å | |
| C05 | C06 | doub | 1.39Å | 1.40Å | Aromatic |
| C05 | C04 | sing | 1.39Å | 1.40Å | Aromatic |
| N08 | C06 | sing | 1.48Å | 1.47Å | |
| N08 | O09 | sing | 1.22Å | 1.21Å | |
| N12 | O13 | sing | 1.22Å | 1.21Å | |
| N12 | C04 | sing | 1.48Å | 1.50Å | |
| C06 | C07 | sing | 1.38Å | 1.39Å | Aromatic |
| C04 | C03 | doub | 1.38Å | 1.39Å | Aromatic |
| C07 | C02 | doub | 1.38Å | 1.40Å | Aromatic |
| C03 | C02 | sing | 1.38Å | 1.39Å | Aromatic |
| C02 | C01 | sing | 1.51Å | 1.50Å | |
| 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 | |
| C07 | H071 | sing | 1.08Å | 1.08Å | |
| O11 | H111 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O11 | C05 | C06 | 118.9° | 120.1° |
| O11 | C05 | C04 | 123.4° | 120.1° |
| C05 | O11 | H111 | 109.5° | 114.0° |
| O10 | N08 | C06 | 118.2° | 120.0° |
| O10 | N08 | O09 | 123.9° | 120.0° |
| O14 | N12 | O13 | 123.5° | 120.0° |
| O14 | N12 | C04 | 117.8° | 120.0° |
| C06 | C05 | C04 | 117.7° | 119.9° |
| C05 | C06 | N08 | 121.5° | 120.0° |
| C05 | C06 | C07 | 121.2° | 119.9° |
| C05 | C04 | N12 | 121.0° | 120.0° |
| C05 | C04 | C03 | 121.6° | 119.9° |
| C06 | N08 | O09 | 117.9° | 120.0° |
| N08 | C06 | C07 | 117.3° | 120.1° |
| O13 | N12 | C04 | 118.7° | 120.0° |
| N12 | C04 | C03 | 117.4° | 120.0° |
| C06 | C07 | C02 | 120.4° | 120.1° |
| C06 | C07 | H071 | 119.8° | 120.0° |
| C04 | C03 | C02 | 120.3° | 120.1° |
| C04 | C03 | H031 | 119.8° | 120.0° |
| C07 | C02 | C03 | 119.0° | 120.1° |
| C07 | C02 | C01 | 121.0° | 119.9° |
| C02 | C07 | H071 | 119.8° | 120.0° |
| C03 | C02 | C01 | 120.0° | 119.9° |
| C02 | C03 | H031 | 119.9° | 120.0° |
| C02 | C01 | H011 | 109.5° | 109.5° |
| C02 | C01 | H013 | 109.5° | 109.5° |
| C02 | C01 | H012 | 109.5° | 109.5° |
| H011 | C01 | H013 | 109.5° | 109.4° |
| H011 | C01 | H012 | 109.4° | 109.5° |
| H013 | C01 | H012 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O11 | C05 | C06 | C04 | 179.9° | 179.7° |
| O11 | C05 | C06 | N08 | 0.3° | 0.3° |
| O11 | C05 | C04 | N12 | 0.1° | 0.2° |
| O11 | C05 | C06 | C07 | 179.9° | 180.0° |
| O11 | C05 | C04 | C03 | 180.0° | 179.7° |
| O10 | N08 | C06 | C05 | 18.3° | 180.0° |
| O10 | N08 | C06 | O09 | 179.7° | 180.0° |
| O10 | N08 | C06 | C07 | 161.8° | 0.2° |
| O14 | N12 | C04 | C05 | 12.4° | 0.0° |
| O14 | N12 | O13 | C04 | 179.9° | 180.0° |
| O14 | N12 | C04 | C03 | 167.5° | 180.0° |
| C05 | C06 | N08 | C07 | 179.8° | 179.7° |
| C05 | C06 | N08 | O09 | 161.4° | 0.0° |
| C06 | C05 | C04 | N12 | 179.9° | 179.9° |
| C06 | C05 | C04 | C03 | 0.1° | 0.0° |
| C05 | C06 | C07 | C02 | 0.1° | 0.5° |
| C05 | C06 | C07 | H071 | 179.9° | 180.0° |
| C06 | C05 | O11 | H111 | 7.4° | 90.0° |
| C04 | C05 | C06 | N08 | 179.8° | 180.0° |
| C05 | C04 | N12 | O13 | 167.6° | 180.0° |
| C05 | C04 | N12 | C03 | 180.0° | 179.9° |
| C04 | C05 | C06 | C07 | 0.0° | 0.3° |
| C05 | C04 | C03 | C02 | 0.0° | 0.0° |
| C05 | C04 | C03 | H031 | 180.0° | 180.0° |
| C04 | C05 | O11 | H111 | 172.5° | 89.8° |
| N08 | C06 | C07 | C02 | 179.7° | 179.8° |
| N08 | C06 | C07 | H071 | 0.2° | 0.3° |
| O09 | N08 | C06 | C07 | 18.4° | 179.7° |
| O13 | N12 | C04 | C03 | 12.4° | 0.0° |
| N12 | C04 | C03 | C02 | 180.0° | 180.0° |
| N12 | C04 | C03 | H031 | 0.0° | 0.1° |
| C06 | C07 | C02 | H071 | 180.0° | 179.5° |
| C06 | C07 | C02 | C03 | 0.1° | 0.5° |
| C06 | C07 | C02 | C01 | 179.8° | 179.7° |
| C04 | C03 | C02 | C07 | 0.1° | 0.2° |
| C04 | C03 | C02 | H031 | 180.0° | 179.9° |
| C04 | C03 | C02 | C01 | 179.7° | 180.0° |
| C07 | C02 | C03 | C01 | 179.7° | 179.8° |
| C07 | C02 | C01 | H011 | 89.8° | 90.2° |
| C07 | C02 | C01 | H013 | 150.2° | 29.7° |
| C07 | C02 | C01 | H012 | 30.2° | 149.8° |
| C07 | C02 | C03 | H031 | 179.9° | 179.7° |
| C03 | C02 | C01 | H011 | 89.8° | 90.0° |
| C03 | C02 | C01 | H013 | 30.2° | 150.1° |
| C03 | C02 | C01 | H012 | 150.2° | 30.0° |
| C03 | C02 | C07 | H071 | 179.9° | 180.0° |
| C02 | C01 | H011 | H013 | 120.0° | 120.0° |
| C02 | C01 | H011 | H012 | 120.0° | 120.0° |
| C02 | C01 | H013 | H012 | 120.0° | 120.1° |
| C01 | C02 | C03 | H031 | 0.3° | 0.0° |
| C01 | C02 | C07 | H071 | 0.2° | 0.3° |
| H011 | C01 | H013 | H012 | 120.0° | 120.0° |
