W4V
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N10 | C11 | sing | 1.33Å | 1.36Å | Aromatic |
| N10 | C09 | doub | 1.33Å | 1.35Å | Aromatic |
| C11 | N12 | doub | 1.31Å | 1.32Å | Aromatic |
| C09 | N08 | sing | 1.34Å | 1.37Å | Aromatic |
| C09 | N13 | sing | 1.37Å | 1.34Å | Aromatic |
| N08 | C07 | doub | 1.32Å | 1.32Å | Aromatic |
| N12 | N13 | sing | 1.40Å | 1.36Å | Aromatic |
| N13 | C02 | sing | 1.37Å | 1.34Å | Aromatic |
| C07 | C06 | sing | 1.51Å | 1.49Å | |
| C07 | C03 | sing | 1.39Å | 1.37Å | Aromatic |
| C02 | C03 | doub | 1.38Å | 1.35Å | Aromatic |
| C02 | N01 | sing | 1.38Å | 1.45Å | |
| C06 | C05 | sing | 1.54Å | 1.49Å | |
| C03 | C04 | sing | 1.51Å | 1.53Å | |
| C05 | C04 | sing | 1.54Å | 1.48Å | |
| C04 | H042 | sing | 1.09Å | 1.10Å | |
| C04 | H041 | sing | 1.09Å | 1.10Å | |
| C05 | H051 | sing | 1.09Å | 1.10Å | |
| C05 | H052 | sing | 1.09Å | 1.10Å | |
| C06 | H061 | sing | 1.09Å | 1.10Å | |
| C06 | H062 | sing | 1.09Å | 1.10Å | |
| C11 | H111 | sing | 1.08Å | 1.08Å | |
| N01 | H012 | sing | 0.97Å | 1.00Å | |
| N01 | H011 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C11 | N10 | C09 | 107.2° | 109.8° |
| N10 | C11 | N12 | 109.5° | 109.6° |
| N10 | C11 | H111 | 125.3° | 125.2° |
| N10 | C09 | N08 | 131.2° | 132.5° |
| N10 | C09 | N13 | 107.6° | 107.1° |
| C11 | N12 | N13 | 106.9° | 107.0° |
| N12 | C11 | H111 | 125.2° | 125.2° |
| N08 | C09 | N13 | 121.0° | 120.4° |
| C09 | N08 | C07 | 116.7° | 121.4° |
| C09 | N13 | N12 | 108.7° | 106.5° |
| C09 | N13 | C02 | 121.8° | 120.1° |
| N08 | C07 | C06 | 129.8° | 130.5° |
| N08 | C07 | C03 | 122.6° | 120.1° |
| N12 | N13 | C02 | 129.4° | 133.4° |
| N13 | C02 | C03 | 117.9° | 118.7° |
| N13 | C02 | N01 | 122.0° | 120.7° |
| C06 | C07 | C03 | 107.6° | 109.4° |
| C07 | C06 | C05 | 106.2° | 105.2° |
| C07 | C06 | H061 | 110.3° | 110.3° |
| C07 | C06 | H062 | 110.3° | 110.4° |
| C07 | C03 | C02 | 119.9° | 119.2° |
| C07 | C03 | C04 | 109.7° | 109.8° |
| C03 | C02 | N01 | 120.1° | 120.6° |
| C02 | C03 | C04 | 130.4° | 131.0° |
| C02 | N01 | H012 | 109.5° | 120.0° |
| C02 | N01 | H011 | 109.5° | 120.0° |
| C06 | C05 | C04 | 103.6° | 102.6° |
| C06 | C05 | H051 | 110.9° | 110.8° |
| C06 | C05 | H052 | 110.9° | 110.9° |
| C05 | C06 | H061 | 110.3° | 110.2° |
| C05 | C06 | H062 | 110.3° | 110.3° |
| C03 | C04 | C05 | 103.3° | 105.1° |
| C03 | C04 | H042 | 111.0° | 110.3° |
| C03 | C04 | H041 | 111.0° | 110.3° |
| C05 | C04 | H042 | 111.0° | 110.3° |
| C05 | C04 | H041 | 111.0° | 110.4° |
| C04 | C05 | H051 | 110.9° | 110.8° |
| C04 | C05 | H052 | 110.9° | 110.8° |
| H042 | C04 | H041 | 109.4° | 110.3° |
| H051 | C05 | H052 | 109.5° | 110.7° |
| H061 | C06 | H062 | 109.5° | 110.3° |
| H012 | N01 | H011 | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N10 | C11 | N12 | H111 | 180.0° | 180.0° |
| C11 | N10 | C09 | N08 | 179.0° | 180.0° |
| C11 | N10 | C09 | N13 | 3.2° | 0.0° |
| N10 | C11 | N12 | N13 | 1.2° | 0.0° |
| C09 | N10 | C11 | N12 | 1.2° | 0.0° |
| N10 | C09 | N08 | N13 | 175.3° | 180.0° |
| N10 | C09 | N08 | C07 | 178.5° | 179.9° |
| N10 | C09 | N13 | N12 | 4.0° | 0.0° |
| N10 | C09 | N13 | C02 | 179.5° | 180.0° |
| C09 | N10 | C11 | H111 | 178.8° | 180.0° |
| C11 | N12 | N13 | C09 | 3.2° | 0.0° |
| C11 | N12 | N13 | C02 | 178.2° | 180.0° |
| N08 | C09 | N13 | N12 | 179.7° | 179.9° |
| N08 | C09 | N13 | C02 | 4.2° | 0.0° |
| C09 | N08 | C07 | C06 | 179.7° | 180.0° |
| C09 | N08 | C07 | C03 | 0.5° | 0.1° |
| N13 | C09 | N08 | C07 | 3.2° | 0.0° |
| C09 | N13 | N12 | C02 | 175.0° | 179.9° |
| C09 | N13 | C02 | C03 | 2.4° | 0.0° |
| C09 | N13 | C02 | N01 | 177.8° | 179.9° |
| N08 | C07 | C06 | C03 | 179.8° | 179.9° |
| N08 | C07 | C03 | C02 | 1.2° | 0.1° |
| N08 | C07 | C06 | C05 | 160.4° | 162.8° |
| N08 | C07 | C03 | C04 | 179.1° | 180.0° |
| N08 | C07 | C06 | H061 | 80.1° | 44.0° |
| N08 | C07 | C06 | H062 | 40.9° | 78.2° |
| N12 | N13 | C02 | C03 | 176.8° | 179.9° |
| N12 | N13 | C02 | N01 | 3.4° | 0.2° |
| N13 | N12 | C11 | H111 | 178.8° | 180.0° |
| N13 | C02 | C03 | C07 | 0.3° | 0.0° |
| N13 | C02 | C03 | N01 | 179.8° | 179.9° |
| N13 | C02 | C03 | C04 | 179.9° | 180.0° |
| N13 | C02 | N01 | H012 | 180.0° | 179.9° |
| N13 | C02 | N01 | H011 | 60.0° | 0.1° |
| C06 | C07 | C03 | C02 | 178.6° | 180.0° |
| C07 | C06 | C05 | H061 | 119.5° | 118.9° |
| C07 | C06 | C05 | H062 | 119.5° | 119.1° |
| C06 | C07 | C03 | C04 | 1.1° | 0.1° |
| C07 | C06 | C05 | C04 | 30.5° | 26.5° |
| C07 | C06 | C05 | H051 | 149.5° | 91.8° |
| C07 | C06 | C05 | H052 | 88.6° | 144.9° |
| C07 | C06 | H061 | H062 | 121.5° | 122.2° |
| C07 | C03 | C02 | C04 | 179.6° | 179.9° |
| C07 | C03 | C02 | N01 | 179.5° | 180.0° |
| C03 | C07 | C06 | C05 | 19.8° | 17.3° |
| C07 | C03 | C04 | C05 | 17.9° | 17.2° |
| C07 | C03 | C04 | H042 | 136.9° | 136.0° |
| C07 | C03 | C04 | H041 | 101.2° | 101.8° |
| C03 | C07 | C06 | H061 | 99.7° | 136.1° |
| C03 | C07 | C06 | H062 | 139.3° | 101.7° |
| C02 | C03 | C04 | C05 | 162.5° | 162.8° |
| C02 | C03 | C04 | H042 | 43.5° | 43.9° |
| C02 | C03 | C04 | H041 | 78.5° | 78.2° |
| C03 | C02 | N01 | H012 | 0.2° | 0.1° |
| C03 | C02 | N01 | H011 | 120.2° | 180.0° |
| N01 | C02 | C03 | C04 | 0.1° | 0.1° |
| C02 | N01 | H012 | H011 | 120.0° | 179.9° |
| C06 | C05 | C04 | C03 | 28.8° | 26.5° |
| C06 | C05 | C04 | H051 | 119.1° | 118.3° |
| C06 | C05 | C04 | H052 | 119.1° | 118.4° |
| C06 | C05 | C04 | H042 | 147.8° | 145.4° |
| C06 | C05 | C04 | H041 | 90.2° | 92.5° |
| C06 | C05 | H051 | H052 | 122.8° | 123.5° |
| C05 | C06 | H061 | H062 | 121.5° | 122.0° |
| C03 | C04 | C05 | H042 | 119.0° | 118.9° |
| C03 | C04 | C05 | H041 | 119.0° | 118.9° |
| C03 | C04 | H042 | H041 | 122.8° | 122.1° |
| C03 | C04 | C05 | H051 | 147.8° | 91.8° |
| C03 | C04 | C05 | H052 | 90.3° | 144.9° |
| C05 | C04 | H042 | H041 | 122.8° | 122.2° |
| C04 | C05 | H051 | H052 | 122.7° | 123.4° |
| C04 | C05 | C06 | H061 | 89.0° | 145.4° |
| C04 | C05 | C06 | H062 | 150.0° | 92.6° |
| H042 | C04 | C05 | H051 | 93.1° | 27.1° |
| H042 | C04 | C05 | H052 | 28.8° | 96.2° |
| H041 | C04 | C05 | H051 | 28.8° | 149.2° |
| H041 | C04 | C05 | H052 | 150.7° | 25.9° |
| H051 | C05 | C06 | H061 | 30.0° | 27.1° |
| H051 | C05 | C06 | H062 | 91.0° | 149.1° |
| H052 | C05 | C06 | H061 | 151.9° | 96.3° |
| H052 | C05 | C06 | H062 | 30.9° | 25.8° |
