JNV
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CL09 | C08 | sing | 1.74Å | 1.72Å | |
| C08 | C07 | doub | 1.38Å | 1.36Å | Aromatic |
| C08 | C10 | sing | 1.39Å | 1.42Å | Aromatic |
| C07 | C06 | sing | 1.38Å | 1.38Å | Aromatic |
| CL11 | C10 | sing | 1.74Å | 1.82Å | |
| C10 | C12 | doub | 1.38Å | 1.38Å | Aromatic |
| C06 | C05 | doub | 1.38Å | 1.34Å | Aromatic |
| C12 | C05 | sing | 1.38Å | 1.40Å | Aromatic |
| C05 | C04 | sing | 1.51Å | 1.47Å | |
| C04 | C02 | sing | 1.51Å | 1.47Å | |
| C02 | O03 | doub | 1.21Å | 1.16Å | |
| C02 | C01 | sing | 1.51Å | 1.49Å | |
| C01 | H011 | sing | 1.09Å | 1.10Å | |
| C01 | H012 | sing | 1.09Å | 1.10Å | |
| C01 | H013 | sing | 1.09Å | 1.10Å | |
| C04 | H042 | sing | 1.09Å | 1.10Å | |
| C04 | H041 | sing | 1.09Å | 1.10Å | |
| C06 | H061 | sing | 1.08Å | 1.08Å | |
| C07 | H071 | 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) |
| CL09 | C08 | C07 | 118.0° | 120.0° |
| CL09 | C08 | C10 | 123.2° | 120.0° |
| C07 | C08 | C10 | 118.8° | 119.9° |
| C08 | C07 | C06 | 121.8° | 120.0° |
| C08 | C07 | H071 | 119.1° | 120.0° |
| C08 | C10 | CL11 | 121.9° | 120.0° |
| C08 | C10 | C12 | 118.1° | 119.9° |
| C07 | C06 | C05 | 120.9° | 120.1° |
| C07 | C06 | H061 | 119.5° | 119.9° |
| C06 | C07 | H071 | 119.1° | 120.0° |
| CL11 | C10 | C12 | 120.0° | 120.1° |
| C10 | C12 | C05 | 121.8° | 120.0° |
| C10 | C12 | H121 | 119.1° | 119.9° |
| C06 | C05 | C12 | 118.6° | 120.0° |
| C06 | C05 | C04 | 119.7° | 120.0° |
| C05 | C06 | H061 | 119.5° | 120.0° |
| C12 | C05 | C04 | 121.7° | 120.0° |
| C05 | C12 | H121 | 119.1° | 120.0° |
| C05 | C04 | C02 | 112.3° | 109.5° |
| C05 | C04 | H042 | 108.8° | 109.5° |
| C05 | C04 | H041 | 108.7° | 109.5° |
| C04 | C02 | O03 | 122.7° | 120.0° |
| C04 | C02 | C01 | 116.2° | 120.0° |
| C02 | C04 | H042 | 108.7° | 109.5° |
| C02 | C04 | H041 | 108.8° | 109.5° |
| O03 | C02 | C01 | 121.0° | 120.0° |
| C02 | C01 | H011 | 109.5° | 109.5° |
| C02 | C01 | H012 | 109.4° | 109.5° |
| C02 | C01 | H013 | 109.5° | 109.5° |
| H011 | C01 | H012 | 109.5° | 109.5° |
| H011 | C01 | H013 | 109.5° | 109.4° |
| H012 | C01 | H013 | 109.5° | 109.4° |
| H042 | C04 | H041 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CL09 | C08 | C07 | C10 | 179.8° | 180.0° |
| CL09 | C08 | C07 | C06 | 178.7° | 180.0° |
| CL09 | C08 | C10 | CL11 | 0.1° | 0.3° |
| CL09 | C08 | C10 | C12 | 179.5° | 180.0° |
| CL09 | C08 | C07 | H071 | 1.3° | 0.1° |
| C08 | C07 | C06 | H071 | 180.0° | 179.9° |
| C07 | C08 | C10 | CL11 | 179.7° | 179.7° |
| C07 | C08 | C10 | C12 | 0.3° | 0.0° |
| C08 | C07 | C06 | C05 | 2.1° | 0.1° |
| C08 | C07 | C06 | H061 | 177.9° | 180.0° |
| C10 | C08 | C07 | C06 | 1.5° | 0.1° |
| C08 | C10 | CL11 | C12 | 179.4° | 179.7° |
| C08 | C10 | C12 | C05 | 1.5° | 0.0° |
| C10 | C08 | C07 | H071 | 178.5° | 179.9° |
| C08 | C10 | C12 | H121 | 178.5° | 180.0° |
| C07 | C06 | C05 | H061 | 180.0° | 179.9° |
| C07 | C06 | C05 | C12 | 0.9° | 0.1° |
| C07 | C06 | C05 | C04 | 178.1° | 179.9° |
| CL11 | C10 | C12 | C05 | 179.1° | 179.7° |
| CL11 | C10 | C12 | H121 | 0.9° | 0.3° |
| C10 | C12 | C05 | C06 | 0.9° | 0.0° |
| C10 | C12 | C05 | H121 | 180.0° | 180.0° |
| C10 | C12 | C05 | C04 | 179.9° | 180.0° |
| C06 | C05 | C12 | C04 | 179.0° | 180.0° |
| C06 | C05 | C04 | C02 | 173.0° | 90.0° |
| C06 | C05 | C04 | H042 | 66.6° | 30.0° |
| C06 | C05 | C04 | H041 | 52.5° | 150.0° |
| C05 | C06 | C07 | H071 | 177.9° | 180.0° |
| C06 | C05 | C12 | H121 | 179.1° | 180.0° |
| C12 | C05 | C04 | C02 | 6.0° | 90.0° |
| C12 | C05 | C04 | H042 | 114.4° | 150.0° |
| C12 | C05 | C04 | H041 | 126.4° | 30.0° |
| C12 | C05 | C06 | H061 | 179.1° | 180.0° |
| C05 | C04 | C02 | H042 | 120.4° | 120.0° |
| C05 | C04 | C02 | H041 | 120.4° | 120.0° |
| C05 | C04 | C02 | O03 | 44.8° | 0.1° |
| C05 | C04 | C02 | C01 | 133.2° | 180.0° |
| C05 | C04 | H042 | H041 | 118.7° | 120.0° |
| C04 | C05 | C06 | H061 | 1.9° | 0.0° |
| C04 | C05 | C12 | H121 | 0.1° | 0.1° |
| C04 | C02 | O03 | C01 | 177.8° | 179.9° |
| C04 | C02 | C01 | H011 | 177.9° | 180.0° |
| C04 | C02 | C01 | H012 | 58.0° | 59.9° |
| C04 | C02 | C01 | H013 | 62.0° | 60.0° |
| C02 | C04 | H042 | H041 | 118.7° | 120.0° |
| O03 | C02 | C01 | H011 | 0.0° | 0.1° |
| O03 | C02 | C01 | H012 | 120.0° | 120.0° |
| O03 | C02 | C01 | H013 | 120.0° | 120.1° |
| O03 | C02 | C04 | H042 | 165.2° | 120.0° |
| O03 | C02 | C04 | H041 | 75.7° | 119.9° |
| C02 | C01 | H011 | H012 | 120.0° | 120.1° |
| C02 | C01 | H011 | H013 | 120.0° | 120.0° |
| C02 | C01 | H012 | H013 | 120.0° | 120.0° |
| C01 | C02 | C04 | H042 | 12.7° | 60.0° |
| C01 | C02 | C04 | H041 | 106.4° | 60.0° |
| H011 | C01 | H012 | H013 | 120.0° | 119.9° |
| H061 | C06 | C07 | H071 | 2.1° | 0.1° |
