7VP
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C08 | C07 | doub | 1.38Å | 1.39Å | Aromatic |
| C08 | C09 | sing | 1.38Å | 1.39Å | Aromatic |
| C07 | C06 | sing | 1.39Å | 1.39Å | Aromatic |
| C09 | C10 | doub | 1.38Å | 1.39Å | Aromatic |
| N12 | C05 | doub | 1.31Å | 1.33Å | Aromatic |
| N12 | C02 | sing | 1.34Å | 1.32Å | Aromatic |
| C06 | C05 | sing | 1.48Å | 1.40Å | |
| C06 | C11 | doub | 1.40Å | 1.40Å | Aromatic |
| C10 | C11 | sing | 1.38Å | 1.40Å | Aromatic |
| C01 | C02 | sing | 1.51Å | 1.51Å | |
| C05 | N04 | sing | 1.36Å | 1.33Å | Aromatic |
| C02 | C03 | doub | 1.35Å | 1.38Å | Aromatic |
| N04 | C03 | sing | 1.37Å | 1.32Å | Aromatic |
| C01 | H013 | sing | 1.09Å | 1.10Å | |
| C01 | H012 | sing | 1.09Å | 1.10Å | |
| C01 | H011 | sing | 1.09Å | 1.10Å | |
| C03 | H031 | sing | 1.08Å | 1.08Å | |
| N04 | H041 | sing | 0.97Å | 1.00Å | |
| C07 | H071 | sing | 1.08Å | 1.08Å | |
| C08 | H081 | sing | 1.08Å | 1.08Å | |
| C09 | H091 | sing | 1.08Å | 1.08Å | |
| C10 | H101 | sing | 1.08Å | 1.08Å | |
| C11 | H111 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C07 | C08 | C09 | 119.8° | 120.1° |
| C08 | C07 | C06 | 121.3° | 119.9° |
| C08 | C07 | H071 | 119.4° | 120.1° |
| C07 | C08 | H081 | 120.1° | 119.9° |
| C08 | C09 | C10 | 119.6° | 120.3° |
| C09 | C08 | H081 | 120.1° | 120.0° |
| C08 | C09 | H091 | 120.2° | 119.9° |
| C07 | C06 | C05 | 120.0° | 120.2° |
| C07 | C06 | C11 | 118.8° | 119.7° |
| C06 | C07 | H071 | 119.4° | 120.1° |
| C09 | C10 | C11 | 120.4° | 120.2° |
| C10 | C09 | H091 | 120.2° | 119.9° |
| C09 | C10 | H101 | 119.8° | 119.9° |
| C05 | N12 | C02 | 109.2° | 109.2° |
| N12 | C05 | C06 | 124.8° | 125.8° |
| N12 | C05 | N04 | 107.9° | 108.3° |
| N12 | C02 | C01 | 125.3° | 125.8° |
| N12 | C02 | C03 | 106.8° | 108.4° |
| C05 | C06 | C11 | 121.2° | 120.2° |
| C06 | C05 | N04 | 127.3° | 125.8° |
| C06 | C11 | C10 | 120.1° | 119.9° |
| C06 | C11 | H111 | 119.9° | 120.0° |
| C11 | C10 | H101 | 119.8° | 119.9° |
| C10 | C11 | H111 | 119.9° | 120.1° |
| C01 | C02 | C03 | 127.8° | 125.9° |
| C02 | C01 | H013 | 109.5° | 109.4° |
| C02 | C01 | H012 | 109.5° | 109.5° |
| C02 | C01 | H011 | 109.5° | 109.5° |
| C05 | N04 | C03 | 109.1° | 107.0° |
| C05 | N04 | H041 | 125.5° | 126.5° |
| C02 | C03 | N04 | 107.0° | 107.1° |
| C02 | C03 | H031 | 126.5° | 126.5° |
| N04 | C03 | H031 | 126.5° | 126.4° |
| C03 | N04 | H041 | 125.5° | 126.5° |
| H013 | C01 | H012 | 109.5° | 109.5° |
| H013 | C01 | H011 | 109.5° | 109.5° |
| H012 | C01 | H011 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C07 | C08 | C09 | H081 | 180.0° | 179.9° |
| C08 | C07 | C06 | H071 | 180.0° | 180.0° |
| C07 | C08 | C09 | C10 | 0.1° | 0.0° |
| C08 | C07 | C06 | C05 | 179.5° | 180.0° |
| C08 | C07 | C06 | C11 | 0.7° | 0.3° |
| C07 | C08 | C09 | H091 | 179.9° | 180.0° |
| C09 | C08 | C07 | C06 | 0.6° | 0.0° |
| C08 | C09 | C10 | H091 | 180.0° | 180.0° |
| C08 | C09 | C10 | C11 | 0.2° | 0.3° |
| C09 | C08 | C07 | H071 | 179.4° | 180.0° |
| C08 | C09 | C10 | H101 | 179.8° | 180.0° |
| C07 | C06 | C05 | N12 | 18.1° | 179.3° |
| C07 | C06 | C05 | C11 | 179.8° | 179.7° |
| C07 | C06 | C11 | C10 | 0.3° | 0.6° |
| C07 | C06 | C05 | N04 | 161.9° | 0.3° |
| C06 | C07 | C08 | H081 | 179.4° | 179.9° |
| C07 | C06 | C11 | H111 | 179.7° | 179.7° |
| C09 | C10 | C11 | C06 | 0.1° | 0.6° |
| C09 | C10 | C11 | H101 | 180.0° | 179.7° |
| C10 | C09 | C08 | H081 | 179.8° | 179.9° |
| C09 | C10 | C11 | H111 | 179.8° | 179.7° |
| N12 | C05 | C06 | N04 | 180.0° | 179.6° |
| N12 | C05 | C06 | C11 | 162.1° | 0.3° |
| C05 | N12 | C02 | C01 | 179.9° | 179.8° |
| C05 | N12 | C02 | C03 | 0.6° | 0.5° |
| N12 | C05 | N04 | C03 | 1.4° | 0.3° |
| N12 | C05 | N04 | H041 | 178.6° | 179.8° |
| C02 | N12 | C05 | C06 | 178.8° | 179.9° |
| N12 | C02 | C01 | C03 | 179.2° | 179.7° |
| C02 | N12 | C05 | N04 | 1.2° | 0.5° |
| N12 | C02 | C03 | N04 | 0.2° | 0.3° |
| N12 | C02 | C01 | H013 | 0.0° | 90.3° |
| N12 | C02 | C01 | H012 | 120.0° | 29.7° |
| N12 | C02 | C01 | H011 | 120.0° | 149.7° |
| N12 | C02 | C03 | H031 | 179.7° | 179.8° |
| C05 | C06 | C11 | C10 | 179.9° | 179.8° |
| C06 | C05 | N04 | C03 | 178.7° | 180.0° |
| C06 | C05 | N04 | H041 | 1.4° | 0.1° |
| C05 | C06 | C07 | H071 | 0.5° | 0.1° |
| C05 | C06 | C11 | H111 | 0.1° | 0.0° |
| C06 | C11 | C10 | H111 | 180.0° | 179.7° |
| C11 | C06 | C05 | N04 | 17.9° | 180.0° |
| C11 | C06 | C07 | H071 | 179.3° | 179.7° |
| C06 | C11 | C10 | H101 | 179.9° | 179.7° |
| C11 | C10 | C09 | H091 | 179.8° | 179.8° |
| C01 | C02 | C03 | N04 | 179.1° | 180.0° |
| C02 | C01 | H013 | H012 | 120.0° | 120.0° |
| C02 | C01 | H013 | H011 | 120.0° | 120.0° |
| C02 | C01 | H012 | H011 | 120.0° | 120.0° |
| C01 | C02 | C03 | H031 | 1.0° | 0.0° |
| C05 | N04 | C03 | C02 | 1.0° | 0.0° |
| C05 | N04 | C03 | H041 | 180.0° | 179.9° |
| C05 | N04 | C03 | H031 | 179.0° | 180.0° |
| C02 | C03 | N04 | H031 | 180.0° | 180.0° |
| C03 | C02 | C01 | H013 | 179.2° | 90.0° |
| C03 | C02 | C01 | H012 | 59.2° | 150.0° |
| C03 | C02 | C01 | H011 | 60.8° | 30.0° |
| C02 | C03 | N04 | H041 | 179.0° | 180.0° |
| H013 | C01 | H012 | H011 | 120.0° | 120.0° |
| H031 | C03 | N04 | H041 | 1.0° | 0.0° |
| H071 | C07 | C08 | H081 | 0.7° | 0.0° |
| H081 | C08 | C09 | H091 | 0.2° | 0.0° |
| H091 | C09 | C10 | H101 | 0.2° | 0.1° |
| H101 | C10 | C11 | H111 | 0.1° | 0.0° |
