W6V
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C12 | C11 | doub | 1.38Å | 1.38Å | Aromatic |
| C12 | C13 | sing | 1.38Å | 1.39Å | Aromatic |
| C11 | C10 | sing | 1.38Å | 1.38Å | Aromatic |
| C13 | C14 | doub | 1.38Å | 1.39Å | Aromatic |
| C10 | C09 | doub | 1.40Å | 1.38Å | Aromatic |
| C14 | C09 | sing | 1.40Å | 1.38Å | Aromatic |
| C09 | C02 | sing | 1.48Å | 1.52Å | |
| C02 | O01 | doub | 1.21Å | 1.17Å | |
| C02 | N03 | sing | 1.35Å | 1.45Å | |
| N03 | C04 | sing | 1.39Å | 1.45Å | |
| C04 | N05 | doub | 1.30Å | 1.31Å | Aromatic |
| C04 | S08 | sing | 1.71Å | 1.71Å | Aromatic |
| N05 | C06 | sing | 1.32Å | 1.32Å | Aromatic |
| S08 | C07 | sing | 1.76Å | 1.71Å | Aromatic |
| C06 | C07 | doub | 1.33Å | 1.38Å | Aromatic |
| C10 | H101 | sing | 1.08Å | 1.08Å | |
| C13 | H131 | sing | 1.08Å | 1.08Å | |
| C06 | H061 | sing | 1.08Å | 1.08Å | |
| C07 | H071 | sing | 1.08Å | 1.08Å | |
| C11 | H111 | sing | 1.08Å | 1.08Å | |
| C12 | H121 | sing | 1.08Å | 1.08Å | |
| C14 | H141 | sing | 1.08Å | 1.08Å | |
| N03 | H031 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C11 | C12 | C13 | 120.1° | 120.3° |
| C12 | C11 | C10 | 119.7° | 120.1° |
| C12 | C11 | H111 | 120.2° | 119.9° |
| C11 | C12 | H121 | 120.0° | 119.8° |
| C12 | C13 | C14 | 120.0° | 120.1° |
| C12 | C13 | H131 | 120.0° | 119.9° |
| C13 | C12 | H121 | 119.9° | 119.9° |
| C11 | C10 | C09 | 120.3° | 119.9° |
| C11 | C10 | H101 | 119.9° | 120.1° |
| C10 | C11 | H111 | 120.1° | 120.0° |
| C13 | C14 | C09 | 119.3° | 119.8° |
| C14 | C13 | H131 | 120.0° | 119.9° |
| C13 | C14 | H141 | 120.4° | 120.1° |
| C10 | C09 | C14 | 120.6° | 119.7° |
| C10 | C09 | C02 | 119.1° | 120.1° |
| C09 | C10 | H101 | 119.9° | 120.1° |
| C14 | C09 | C02 | 120.3° | 120.2° |
| C09 | C14 | H141 | 120.4° | 120.1° |
| C09 | C02 | O01 | 117.6° | 120.0° |
| C09 | C02 | N03 | 120.6° | 120.0° |
| O01 | C02 | N03 | 121.7° | 120.0° |
| C02 | N03 | C04 | 120.0° | 120.0° |
| C02 | N03 | H031 | 120.0° | 120.0° |
| N03 | C04 | N05 | 128.2° | 124.9° |
| N03 | C04 | S08 | 126.3° | 125.0° |
| C04 | N03 | H031 | 120.0° | 120.0° |
| N05 | C04 | S08 | 105.4° | 110.1° |
| C04 | N05 | C06 | 118.2° | 116.9° |
| C04 | S08 | C07 | 96.6° | 90.4° |
| N05 | C06 | C07 | 116.2° | 114.6° |
| N05 | C06 | H061 | 121.9° | 122.7° |
| S08 | C07 | C06 | 103.6° | 108.0° |
| S08 | C07 | H071 | 128.2° | 126.0° |
| C07 | C06 | H061 | 121.9° | 122.7° |
| C06 | C07 | H071 | 128.2° | 126.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C11 | C12 | C13 | H121 | 180.0° | 179.9° |
| C12 | C11 | C10 | H111 | 180.0° | 179.9° |
| C11 | C12 | C13 | C14 | 0.5° | 0.2° |
| C12 | C11 | C10 | C09 | 0.9° | 0.1° |
| C12 | C11 | C10 | H101 | 179.1° | 179.7° |
| C11 | C12 | C13 | H131 | 179.5° | 179.7° |
| C13 | C12 | C11 | C10 | 0.4° | 0.1° |
| C12 | C13 | C14 | H131 | 180.0° | 179.5° |
| C12 | C13 | C14 | C09 | 1.0° | 0.5° |
| C13 | C12 | C11 | H111 | 179.6° | 180.0° |
| C12 | C13 | C14 | H141 | 179.0° | 180.0° |
| C11 | C10 | C09 | H101 | 180.0° | 179.8° |
| C11 | C10 | C09 | C14 | 1.5° | 0.2° |
| C11 | C10 | C09 | C02 | 179.1° | 179.8° |
| C10 | C11 | C12 | H121 | 179.6° | 180.0° |
| C13 | C14 | C09 | C10 | 1.5° | 0.5° |
| C13 | C14 | C09 | H141 | 180.0° | 179.5° |
| C13 | C14 | C09 | C02 | 179.2° | 179.5° |
| C14 | C13 | C12 | H121 | 179.5° | 179.7° |
| C10 | C09 | C14 | C02 | 177.7° | 180.0° |
| C10 | C09 | C02 | O01 | 167.8° | 0.0° |
| C10 | C09 | C02 | N03 | 11.6° | 180.0° |
| C09 | C10 | C11 | H111 | 179.1° | 180.0° |
| C10 | C09 | C14 | H141 | 178.5° | 180.0° |
| C14 | C09 | C02 | O01 | 9.9° | 180.0° |
| C14 | C09 | C02 | N03 | 170.7° | 0.0° |
| C14 | C09 | C10 | H101 | 178.6° | 180.0° |
| C09 | C14 | C13 | H131 | 179.0° | 180.0° |
| C09 | C02 | O01 | N03 | 179.4° | 180.0° |
| C09 | C02 | N03 | C04 | 178.1° | 180.0° |
| C02 | C09 | C10 | H101 | 0.9° | 0.1° |
| C02 | C09 | C14 | H141 | 0.8° | 0.0° |
| C09 | C02 | N03 | H031 | 2.0° | 0.1° |
| O01 | C02 | N03 | C04 | 1.3° | 0.0° |
| O01 | C02 | N03 | H031 | 178.7° | 180.0° |
| C02 | N03 | C04 | H031 | 180.0° | 179.9° |
| C02 | N03 | C04 | N05 | 177.0° | 180.0° |
| C02 | N03 | C04 | S08 | 0.1° | 0.3° |
| N03 | C04 | N05 | S08 | 177.4° | 179.7° |
| N03 | C04 | N05 | C06 | 178.4° | 179.7° |
| N03 | C04 | S08 | C07 | 178.6° | 179.7° |
| N05 | C04 | S08 | C07 | 1.1° | 0.0° |
| C04 | N05 | C06 | C07 | 0.2° | 0.0° |
| C04 | N05 | C06 | H061 | 179.8° | 180.0° |
| N05 | C04 | N03 | H031 | 3.0° | 0.0° |
| S08 | C04 | N05 | C06 | 1.0° | 0.0° |
| C04 | S08 | C07 | C06 | 1.0° | 0.0° |
| C04 | S08 | C07 | H071 | 179.0° | 180.0° |
| S08 | C04 | N03 | H031 | 179.9° | 179.6° |
| N05 | C06 | C07 | S08 | 0.7° | 0.0° |
| N05 | C06 | C07 | H061 | 180.0° | 180.0° |
| N05 | C06 | C07 | H071 | 179.3° | 180.0° |
| S08 | C07 | C06 | H071 | 180.0° | 180.0° |
| S08 | C07 | C06 | H061 | 179.3° | 180.0° |
| H101 | C10 | C11 | H111 | 0.9° | 0.2° |
| H131 | C13 | C12 | H121 | 0.5° | 0.2° |
| H131 | C13 | C14 | H141 | 1.0° | 0.5° |
| H061 | C06 | C07 | H071 | 0.7° | 0.0° |
| H111 | C11 | C12 | H121 | 0.4° | 0.1° |
