JMV
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CL11 | C10 | sing | 1.74Å | 1.57Å | |
| C10 | C12 | doub | 1.38Å | 1.33Å | Aromatic |
| C10 | C09 | sing | 1.39Å | 1.31Å | Aromatic |
| C12 | C06 | sing | 1.39Å | 1.33Å | Aromatic |
| C09 | C08 | doub | 1.38Å | 1.37Å | Aromatic |
| C06 | O05 | sing | 1.36Å | 1.32Å | |
| C06 | C07 | doub | 1.39Å | 1.38Å | Aromatic |
| C08 | C07 | sing | 1.38Å | 1.37Å | Aromatic |
| O05 | C04 | sing | 1.43Å | 1.41Å | |
| C04 | C02 | sing | 1.51Å | 1.69Å | |
| O03 | C02 | doub | 1.21Å | 1.22Å | |
| C02 | O01 | sing | 1.34Å | 1.24Å | |
| O01 | H1 | sing | 0.97Å | 0.95Å | |
| C04 | H042 | sing | 1.09Å | 1.10Å | |
| C04 | H041 | sing | 1.09Å | 1.10Å | |
| C07 | H071 | sing | 1.08Å | 1.08Å | |
| C08 | H081 | sing | 1.08Å | 1.08Å | |
| C09 | H091 | sing | 1.08Å | 1.08Å | |
| C12 | H121 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CL11 | C10 | C12 | 116.4° | 120.0° |
| CL11 | C10 | C09 | 119.6° | 120.0° |
| C12 | C10 | C09 | 124.0° | 120.0° |
| C10 | C12 | C06 | 122.7° | 119.9° |
| C10 | C12 | H121 | 118.7° | 120.0° |
| C10 | C09 | C08 | 116.7° | 120.1° |
| C10 | C09 | H091 | 121.7° | 119.9° |
| C12 | C06 | O05 | 122.9° | 120.0° |
| C12 | C06 | C07 | 114.5° | 119.9° |
| C06 | C12 | H121 | 118.6° | 120.1° |
| C09 | C08 | C07 | 119.5° | 120.1° |
| C09 | C08 | H081 | 120.3° | 119.9° |
| C08 | C09 | H091 | 121.6° | 120.0° |
| O05 | C06 | C07 | 122.4° | 120.1° |
| C06 | O05 | C04 | 114.8° | 117.0° |
| C06 | C07 | C08 | 122.6° | 120.0° |
| C06 | C07 | H071 | 118.7° | 120.1° |
| C08 | C07 | H071 | 118.7° | 120.0° |
| C07 | C08 | H081 | 120.2° | 120.0° |
| O05 | C04 | C02 | 120.5° | 109.5° |
| O05 | C04 | H042 | 106.7° | 109.5° |
| O05 | C04 | H041 | 106.7° | 109.4° |
| C04 | C02 | O03 | 118.1° | 120.0° |
| C04 | C02 | O01 | 114.9° | 120.0° |
| C02 | C04 | H042 | 106.6° | 109.5° |
| C02 | C04 | H041 | 106.7° | 109.5° |
| O03 | C02 | O01 | 127.0° | 120.0° |
| C02 | O01 | H1 | 109.5° | 117.0° |
| H042 | C04 | H041 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CL11 | C10 | C12 | C09 | 177.8° | 179.7° |
| CL11 | C10 | C12 | C06 | 178.7° | 179.8° |
| CL11 | C10 | C09 | C08 | 178.8° | 179.7° |
| CL11 | C10 | C09 | H091 | 1.2° | 0.2° |
| CL11 | C10 | C12 | H121 | 1.3° | 0.4° |
| C10 | C12 | C06 | H121 | 180.0° | 179.9° |
| C12 | C10 | C09 | C08 | 1.1° | 0.0° |
| C10 | C12 | C06 | O05 | 175.3° | 180.0° |
| C10 | C12 | C06 | C07 | 0.3° | 0.1° |
| C12 | C10 | C09 | H091 | 178.9° | 180.0° |
| C09 | C10 | C12 | C06 | 0.9° | 0.0° |
| C10 | C09 | C08 | H091 | 180.0° | 180.0° |
| C10 | C09 | C08 | C07 | 0.0° | 0.0° |
| C10 | C09 | C08 | H081 | 180.0° | 180.0° |
| C09 | C10 | C12 | H121 | 179.1° | 179.9° |
| C12 | C06 | O05 | C07 | 175.3° | 179.9° |
| C12 | C06 | C07 | C08 | 1.3° | 0.1° |
| C12 | C06 | O05 | C04 | 128.3° | 0.0° |
| C12 | C06 | C07 | H071 | 178.7° | 180.0° |
| C09 | C08 | C07 | C06 | 1.2° | 0.0° |
| C09 | C08 | C07 | H081 | 180.0° | 180.0° |
| C09 | C08 | C07 | H071 | 178.8° | 180.0° |
| O05 | C06 | C07 | C08 | 174.3° | 180.0° |
| C06 | O05 | C04 | C02 | 88.4° | 180.0° |
| C06 | O05 | C04 | H042 | 150.1° | 60.0° |
| C06 | O05 | C04 | H041 | 33.2° | 60.0° |
| O05 | C06 | C07 | H071 | 5.7° | 0.1° |
| O05 | C06 | C12 | H121 | 4.7° | 0.1° |
| C06 | C07 | C08 | H071 | 180.0° | 179.9° |
| C07 | C06 | O05 | C04 | 47.0° | 179.9° |
| C06 | C07 | C08 | H081 | 178.8° | 180.0° |
| C07 | C06 | C12 | H121 | 179.7° | 180.0° |
| C07 | C08 | C09 | H091 | 179.9° | 180.0° |
| O05 | C04 | C02 | H042 | 121.5° | 120.0° |
| O05 | C04 | C02 | H041 | 121.5° | 119.9° |
| O05 | C04 | C02 | O03 | 36.8° | 0.0° |
| O05 | C04 | C02 | O01 | 143.8° | 180.0° |
| O05 | C04 | H042 | H041 | 115.0° | 119.9° |
| C04 | C02 | O03 | O01 | 179.3° | 180.0° |
| C04 | C02 | O01 | H1 | 179.3° | 180.0° |
| C02 | C04 | H042 | H041 | 115.0° | 120.0° |
| O03 | C02 | O01 | H1 | 0.0° | 0.0° |
| O03 | C02 | C04 | H042 | 84.8° | 120.0° |
| O03 | C02 | C04 | H041 | 158.3° | 120.0° |
| O01 | C02 | C04 | H042 | 94.6° | 60.0° |
| O01 | C02 | C04 | H041 | 22.3° | 60.0° |
| H071 | C07 | C08 | H081 | 1.2° | 0.0° |
| H081 | C08 | C09 | H091 | 0.0° | 0.0° |
