0A7
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O01 | C11 | doub | 1.21Å | 1.25Å | |
| C02 | C03 | sing | 1.38Å | 1.40Å | Aromatic |
| C02 | C07 | doub | 1.38Å | 1.40Å | Aromatic |
| C02 | H02 | sing | 1.08Å | 1.08Å | |
| C03 | C04 | doub | 1.38Å | 1.41Å | Aromatic |
| C03 | H03 | sing | 1.08Å | 1.08Å | |
| C04 | C05 | sing | 1.40Å | 1.45Å | Aromatic |
| C04 | C10 | sing | 1.51Å | 1.56Å | |
| C05 | C06 | doub | 1.40Å | 1.41Å | Aromatic |
| C05 | C08 | sing | 1.48Å | 1.49Å | |
| C06 | C07 | sing | 1.38Å | 1.39Å | Aromatic |
| C06 | H06 | sing | 1.08Å | 1.08Å | |
| C07 | H07 | sing | 1.08Å | 1.08Å | |
| C08 | O09 | doub | 1.21Å | 1.24Å | |
| C08 | OXT | sing | 1.35Å | 1.29Å | |
| C10 | C11 | sing | 1.51Å | 1.55Å | |
| C10 | H101 | sing | 1.09Å | 1.10Å | |
| C10 | H102 | sing | 1.09Å | 1.10Å | |
| C11 | O12 | sing | 1.34Å | 1.25Å | |
| O12 | H12 | sing | 0.97Å | 0.95Å | |
| OXT | HOT | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O01 | C11 | C10 | 120.0° | 120.0° |
| O01 | C11 | O12 | 121.6° | 120.0° |
| C03 | C02 | C07 | 120.8° | 120.3° |
| C03 | C02 | H02 | 119.6° | 119.8° |
| C02 | C03 | C04 | 120.6° | 120.1° |
| C02 | C03 | H03 | 119.7° | 120.0° |
| C07 | C02 | H02 | 119.6° | 119.8° |
| C02 | C07 | C06 | 120.3° | 120.1° |
| C02 | C07 | H07 | 119.8° | 119.9° |
| C04 | C03 | H03 | 119.7° | 119.9° |
| C03 | C04 | C05 | 118.3° | 119.8° |
| C03 | C04 | C10 | 118.7° | 120.1° |
| C05 | C04 | C10 | 123.1° | 120.1° |
| C04 | C05 | C06 | 120.0° | 119.7° |
| C04 | C05 | C08 | 121.1° | 120.1° |
| C04 | C10 | C11 | 115.2° | 109.5° |
| C04 | C10 | H101 | 107.6° | 109.4° |
| C04 | C10 | H102 | 106.3° | 109.5° |
| C06 | C05 | C08 | 118.9° | 120.2° |
| C05 | C06 | C07 | 120.1° | 119.9° |
| C05 | C06 | H06 | 120.0° | 120.0° |
| C05 | C08 | O09 | 126.9° | 120.0° |
| C05 | C08 | OXT | 109.4° | 120.0° |
| C07 | C06 | H06 | 120.0° | 120.0° |
| C06 | C07 | H07 | 119.9° | 120.0° |
| O09 | C08 | OXT | 123.8° | 120.0° |
| C08 | OXT | HOT | 109.5° | 116.9° |
| C11 | C10 | H101 | 107.6° | 109.5° |
| C11 | C10 | H102 | 106.3° | 109.5° |
| C10 | C11 | O12 | 118.4° | 120.0° |
| H101 | C10 | H102 | 114.1° | 109.5° |
| C11 | O12 | H12 | 109.5° | 117.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O01 | C11 | C10 | C04 | 174.6° | 0.0° |
| O01 | C11 | C10 | O12 | 178.5° | 180.0° |
| O01 | C11 | C10 | H101 | 54.6° | 120.0° |
| O01 | C11 | C10 | H102 | 68.0° | 120.0° |
| O01 | C11 | O12 | H12 | 0.0° | 0.0° |
| C03 | C02 | C07 | H02 | 180.0° | 179.6° |
| C02 | C03 | C04 | H03 | 180.0° | 179.9° |
| C02 | C03 | C04 | C05 | 0.1° | 0.0° |
| C02 | C03 | C04 | C10 | 179.0° | 179.9° |
| C03 | C02 | C07 | C06 | 0.2° | 0.0° |
| C03 | C02 | C07 | H07 | 179.8° | 179.9° |
| C07 | C02 | C03 | C04 | 0.1° | 0.1° |
| C07 | C02 | C03 | H03 | 179.9° | 180.0° |
| C02 | C07 | C06 | C05 | 0.0° | 0.0° |
| C02 | C07 | C06 | H07 | 180.0° | 180.0° |
| C02 | C07 | C06 | H06 | 180.0° | 180.0° |
| H02 | C02 | C03 | C04 | 179.9° | 179.7° |
| H02 | C02 | C03 | H03 | 0.1° | 0.4° |
| H02 | C02 | C07 | C06 | 179.8° | 179.7° |
| H02 | C02 | C07 | H07 | 0.2° | 0.3° |
| C03 | C04 | C05 | C10 | 179.0° | 179.9° |
| C03 | C04 | C05 | C06 | 0.3° | 0.0° |
| C03 | C04 | C05 | C08 | 178.4° | 180.0° |
| C03 | C04 | C10 | C11 | 128.2° | 100.6° |
| C03 | C04 | C10 | H101 | 111.7° | 19.3° |
| C03 | C04 | C10 | H102 | 10.8° | 139.3° |
| H03 | C03 | C04 | C05 | 179.9° | 179.9° |
| H03 | C03 | C04 | C10 | 1.0° | 0.0° |
| C04 | C05 | C06 | C08 | 178.7° | 180.0° |
| C04 | C05 | C06 | C07 | 0.3° | 0.1° |
| C04 | C05 | C06 | H06 | 179.7° | 180.0° |
| C04 | C05 | C08 | O09 | 36.0° | 5.7° |
| C04 | C05 | C08 | OXT | 143.6° | 174.4° |
| C05 | C04 | C10 | C11 | 50.8° | 79.3° |
| C05 | C04 | C10 | H101 | 69.2° | 160.7° |
| C05 | C04 | C10 | H102 | 168.2° | 40.8° |
| C10 | C04 | C05 | C06 | 178.7° | 180.0° |
| C10 | C04 | C05 | C08 | 2.6° | 0.1° |
| C04 | C10 | C11 | H101 | 120.0° | 120.0° |
| C04 | C10 | C11 | H102 | 117.4° | 120.0° |
| C04 | C10 | H101 | H102 | 117.6° | 120.0° |
| C04 | C10 | C11 | O12 | 4.0° | 180.0° |
| C05 | C06 | C07 | H06 | 180.0° | 179.9° |
| C05 | C06 | C07 | H07 | 180.0° | 180.0° |
| C06 | C05 | C08 | O09 | 142.7° | 174.4° |
| C06 | C05 | C08 | OXT | 37.7° | 5.6° |
| C08 | C05 | C06 | C07 | 178.5° | 180.0° |
| C08 | C05 | C06 | H06 | 1.6° | 0.0° |
| C05 | C08 | O09 | OXT | 179.5° | 180.0° |
| C05 | C08 | OXT | HOT | 179.6° | 180.0° |
| H06 | C06 | C07 | H07 | 0.0° | 0.1° |
| O09 | C08 | OXT | HOT | 0.0° | 0.0° |
| C11 | C10 | H101 | H102 | 117.7° | 120.0° |
| C10 | C11 | O12 | H12 | 178.5° | 180.0° |
| H101 | C10 | C11 | O12 | 124.0° | 60.0° |
| H102 | C10 | C11 | O12 | 113.4° | 60.0° |
