VI0
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C01 | C02 | sing | 1.51Å | 1.51Å | |
| C01 | C03 | sing | 1.51Å | 1.47Å | |
| C01 | N04 | sing | 1.44Å | 1.40Å | |
| C02 | C05 | doub | 1.37Å | 1.38Å | Aromatic |
| C02 | C06 | sing | 1.40Å | 1.40Å | Aromatic |
| C03 | C07 | doub | 1.38Å | 1.42Å | Aromatic |
| C03 | C08 | sing | 1.38Å | 1.38Å | Aromatic |
| N04 | C09 | sing | 1.37Å | 1.36Å | |
| C05 | C10 | sing | 1.50Å | 1.50Å | |
| C05 | C11 | sing | 1.40Å | 1.37Å | Aromatic |
| C06 | C12 | doub | 1.37Å | 1.39Å | Aromatic |
| C07 | C13 | sing | 1.38Å | 1.40Å | Aromatic |
| C08 | C14 | doub | 1.38Å | 1.38Å | Aromatic |
| C09 | C15 | doub | 1.38Å | 1.41Å | Aromatic |
| C09 | N16 | sing | 1.33Å | 1.35Å | Aromatic |
| C10 | C15 | sing | 1.50Å | 1.52Å | |
| C11 | C17 | doub | 1.37Å | 1.40Å | Aromatic |
| C12 | C17 | sing | 1.38Å | 1.38Å | Aromatic |
| C13 | C18 | doub | 1.38Å | 1.40Å | Aromatic |
| C14 | C18 | sing | 1.38Å | 1.38Å | Aromatic |
| C15 | C19 | sing | 1.38Å | 1.36Å | Aromatic |
| N16 | C20 | doub | 1.32Å | 1.36Å | Aromatic |
| C19 | N21 | doub | 1.33Å | 1.36Å | Aromatic |
| C20 | N21 | sing | 1.32Å | 1.33Å | Aromatic |
| C20 | N22 | sing | 1.38Å | 1.35Å | |
| C01 | H1 | sing | 1.09Å | 1.10Å | |
| C06 | H23 | sing | 1.08Å | 1.08Å | |
| C07 | H24 | sing | 1.08Å | 1.08Å | |
| C10 | H27 | sing | 1.09Å | 1.10Å | |
| C10 | H26 | sing | 1.09Å | 1.10Å | |
| C11 | H28 | sing | 1.08Å | 1.08Å | |
| C13 | H30 | sing | 1.08Å | 1.08Å | |
| C17 | H32 | sing | 1.08Å | 1.08Å | |
| C18 | H33 | sing | 1.08Å | 1.08Å | |
| C19 | H34 | sing | 1.08Å | 1.08Å | |
| N04 | H2 | sing | 0.97Å | 1.00Å | |
| C08 | H25 | sing | 1.08Å | 1.08Å | |
| C12 | H29 | sing | 1.08Å | 1.08Å | |
| C14 | H31 | sing | 1.08Å | 1.08Å | |
| N22 | H35 | sing | 0.97Å | 1.00Å | |
| N22 | H36 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C02 | C01 | C03 | 117.1° | 108.5° |
| C02 | C01 | N04 | 119.3° | 114.4° |
| C01 | C02 | C05 | 113.4° | 126.8° |
| C01 | C02 | C06 | 126.0° | 114.0° |
| C02 | C01 | H1 | 101.7° | 108.5° |
| C03 | C01 | N04 | 110.6° | 108.6° |
| C01 | C03 | C07 | 124.4° | 120.1° |
| C01 | C03 | C08 | 115.0° | 120.0° |
| C03 | C01 | H1 | 102.1° | 108.4° |
| C01 | N04 | C09 | 123.1° | 120.6° |
| N04 | C01 | H1 | 102.7° | 108.4° |
| C01 | N04 | H2 | 105.9° | 119.8° |
| C05 | C02 | C06 | 120.4° | 119.2° |
| C02 | C05 | C10 | 120.2° | 126.8° |
| C02 | C05 | C11 | 119.0° | 119.0° |
| C02 | C06 | C12 | 119.1° | 121.6° |
| C02 | C06 | H23 | 120.4° | 119.2° |
| C07 | C03 | C08 | 120.5° | 120.0° |
| C03 | C07 | C13 | 118.5° | 120.0° |
| C03 | C07 | H24 | 120.8° | 120.0° |
| C03 | C08 | C14 | 120.1° | 120.0° |
| C03 | C08 | H25 | 119.9° | 120.0° |
| N04 | C09 | C15 | 124.2° | 120.6° |
| N04 | C09 | N16 | 111.3° | 120.7° |
| C09 | N04 | H2 | 106.0° | 119.6° |
| C10 | C05 | C11 | 120.8° | 114.2° |
| C05 | C10 | C15 | 112.4° | 114.8° |
| C05 | C10 | H27 | 108.7° | 108.4° |
| C05 | C10 | H26 | 108.7° | 108.5° |
| C05 | C11 | C17 | 122.5° | 121.6° |
| C05 | C11 | H28 | 118.7° | 119.2° |
| C06 | C12 | C17 | 121.5° | 119.3° |
| C12 | C06 | H23 | 120.5° | 119.2° |
| C06 | C12 | H29 | 119.2° | 120.4° |
| C07 | C13 | C18 | 119.8° | 120.0° |
| C13 | C07 | H24 | 120.7° | 120.0° |
| C07 | C13 | H30 | 120.1° | 120.0° |
| C08 | C14 | C18 | 120.7° | 120.0° |
| C14 | C08 | H25 | 119.9° | 120.0° |
| C08 | C14 | H31 | 119.6° | 120.0° |
| C15 | C09 | N16 | 124.4° | 118.7° |
| C09 | C15 | C10 | 123.5° | 118.2° |
| C09 | C15 | C19 | 115.1° | 119.7° |
| C09 | N16 | C20 | 114.8° | 120.1° |
| C10 | C15 | C19 | 121.4° | 122.1° |
| C15 | C10 | H27 | 108.7° | 108.4° |
| C15 | C10 | H26 | 108.7° | 108.4° |
| C11 | C17 | C12 | 117.5° | 119.4° |
| C17 | C11 | H28 | 118.8° | 119.2° |
| C11 | C17 | H32 | 121.3° | 120.3° |
| C12 | C17 | H32 | 121.3° | 120.3° |
| C17 | C12 | H29 | 119.3° | 120.4° |
| C13 | C18 | C14 | 120.3° | 120.0° |
| C18 | C13 | H30 | 120.1° | 120.0° |
| C13 | C18 | H33 | 119.8° | 120.0° |
| C14 | C18 | H33 | 119.8° | 120.0° |
| C18 | C14 | H31 | 119.7° | 120.0° |
| C15 | C19 | N21 | 123.0° | 118.5° |
| C15 | C19 | H34 | 118.5° | 120.7° |
| N16 | C20 | N21 | 125.1° | 122.1° |
| N16 | C20 | N22 | 117.6° | 119.0° |
| C19 | N21 | C20 | 117.5° | 120.7° |
| N21 | C19 | H34 | 118.5° | 120.8° |
| N21 | C20 | N22 | 117.3° | 118.9° |
| C20 | N22 | H35 | 109.5° | 120.0° |
| C20 | N22 | H36 | 109.5° | 120.0° |
| H27 | C10 | H26 | 109.5° | 108.2° |
| H35 | N22 | H36 | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C02 | C01 | C03 | N04 | 141.2° | 124.9° |
| C02 | C01 | C03 | H1 | 110.1° | 117.6° |
| C02 | C01 | N04 | H1 | 111.4° | 121.1° |
| C01 | C02 | C05 | C06 | 175.4° | 179.6° |
| C02 | C01 | C03 | C07 | 98.7° | 116.2° |
| C02 | C01 | C03 | C08 | 82.3° | 63.9° |
| C02 | C01 | N04 | C09 | 52.4° | 65.8° |
| C01 | C02 | C05 | C10 | 5.6° | 4.8° |
| C01 | C02 | C05 | C11 | 175.7° | 176.5° |
| C01 | C02 | C06 | C12 | 175.5° | 177.9° |
| C01 | C02 | C06 | H23 | 4.5° | 2.1° |
| C02 | C01 | N04 | H2 | 69.4° | 114.2° |
| C03 | C01 | N04 | H1 | 108.3° | 117.6° |
| C03 | C01 | C02 | C05 | 148.3° | 110.0° |
| C03 | C01 | C02 | C06 | 26.8° | 69.6° |
| C01 | C03 | C07 | C08 | 179.0° | 179.9° |
| C03 | C01 | N04 | C09 | 167.4° | 55.5° |
| C01 | C03 | C07 | C13 | 179.7° | 180.0° |
| C01 | C03 | C08 | C14 | 180.0° | 179.5° |
| C01 | C03 | C07 | H24 | 0.3° | 0.2° |
| C03 | C01 | N04 | H2 | 70.8° | 124.5° |
| C01 | C03 | C08 | H25 | 0.0° | 0.1° |
| N04 | C01 | C02 | C05 | 74.0° | 11.3° |
| N04 | C01 | C02 | C06 | 110.9° | 169.1° |
| N04 | C01 | C03 | C07 | 42.5° | 118.9° |
| N04 | C01 | C03 | C08 | 136.5° | 61.0° |
| C01 | N04 | C09 | H2 | 121.9° | 180.0° |
| C01 | N04 | C09 | C15 | 6.0° | 69.2° |
| C01 | N04 | C09 | N16 | 171.5° | 109.5° |
| C02 | C05 | C10 | C11 | 178.7° | 178.7° |
| C05 | C02 | C06 | C12 | 0.7° | 1.8° |
| C02 | C05 | C10 | C15 | 62.6° | 47.9° |
| C02 | C05 | C11 | C17 | 0.4° | 2.4° |
| C05 | C02 | C01 | H1 | 37.9° | 132.4° |
| C05 | C02 | C06 | H23 | 179.3° | 178.2° |
| C02 | C05 | C10 | H27 | 57.8° | 73.5° |
| C02 | C05 | C10 | H26 | 177.0° | 169.3° |
| C02 | C05 | C11 | H28 | 179.7° | 177.7° |
| C06 | C02 | C05 | C10 | 179.0° | 175.6° |
| C06 | C02 | C05 | C11 | 0.3° | 3.1° |
| C02 | C06 | C12 | H23 | 180.0° | 180.0° |
| C02 | C06 | C12 | C17 | 0.5° | 0.4° |
| C06 | C02 | C01 | H1 | 137.1° | 48.0° |
| C02 | C06 | C12 | H29 | 179.5° | 179.6° |
| C03 | C07 | C13 | H24 | 180.0° | 179.8° |
| C07 | C03 | C08 | C14 | 1.0° | 0.6° |
| C03 | C07 | C13 | C18 | 0.9° | 0.3° |
| C07 | C03 | C01 | H1 | 151.2° | 1.4° |
| C03 | C07 | C13 | H30 | 179.1° | 179.8° |
| C07 | C03 | C08 | H25 | 179.0° | 180.0° |
| C08 | C03 | C07 | C13 | 0.7° | 0.1° |
| C03 | C08 | C14 | H25 | 180.0° | 179.4° |
| C03 | C08 | C14 | C18 | 1.4° | 0.9° |
| C08 | C03 | C01 | H1 | 27.8° | 178.5° |
| C08 | C03 | C07 | H24 | 179.3° | 179.7° |
| C03 | C08 | C14 | H31 | 178.6° | 180.0° |
| N04 | C09 | C15 | N16 | 177.1° | 178.7° |
| N04 | C09 | C15 | C10 | 1.6° | 7.2° |
| N04 | C09 | C15 | C19 | 179.1° | 173.7° |
| N04 | C09 | N16 | C20 | 178.9° | 175.3° |
| C09 | N04 | C01 | H1 | 59.0° | 173.0° |
| C05 | C10 | C15 | C09 | 58.3° | 63.7° |
| C05 | C10 | C15 | H27 | 120.4° | 121.3° |
| C05 | C10 | C15 | H26 | 120.4° | 121.4° |
| C10 | C05 | C11 | C17 | 178.4° | 176.5° |
| C05 | C10 | C15 | C19 | 122.4° | 117.1° |
| C05 | C10 | H27 | H26 | 118.7° | 117.4° |
| C10 | C05 | C11 | H28 | 1.6° | 3.5° |
| C11 | C05 | C10 | C15 | 116.1° | 133.4° |
| C05 | C11 | C17 | H28 | 180.0° | 180.0° |
| C05 | C11 | C17 | C12 | 0.6° | 0.2° |
| C11 | C05 | C10 | H27 | 123.5° | 105.2° |
| C11 | C05 | C10 | H26 | 4.3° | 12.0° |
| C05 | C11 | C17 | H32 | 179.4° | 179.8° |
| C06 | C12 | C17 | C11 | 0.2° | 1.1° |
| C06 | C12 | C17 | H29 | 180.0° | 180.0° |
| C06 | C12 | C17 | H32 | 179.8° | 178.8° |
| C07 | C13 | C18 | H30 | 180.0° | 179.9° |
| C07 | C13 | C18 | C14 | 1.3° | 0.0° |
| C07 | C13 | C18 | H33 | 178.7° | 180.0° |
| C08 | C14 | C18 | C13 | 1.5° | 0.6° |
| C08 | C14 | C18 | H31 | 180.0° | 179.1° |
| C08 | C14 | C18 | H33 | 178.4° | 179.5° |
| C09 | C15 | C10 | C19 | 179.3° | 179.1° |
| C15 | C09 | N16 | C20 | 3.7° | 3.4° |
| C09 | C15 | C19 | N21 | 0.5° | 3.1° |
| C09 | C15 | C10 | H27 | 62.1° | 57.6° |
| C09 | C15 | C10 | H26 | 178.7° | 174.9° |
| C09 | C15 | C19 | H34 | 179.4° | 176.9° |
| C15 | C09 | N04 | H2 | 127.8° | 110.8° |
| N16 | C09 | C15 | C10 | 178.7° | 174.1° |
| N16 | C09 | C15 | C19 | 1.9° | 5.1° |
| C09 | N16 | C20 | N21 | 4.4° | 0.2° |
| C09 | N16 | C20 | N22 | 174.7° | 179.9° |
| N16 | C09 | N04 | H2 | 49.7° | 70.5° |
| C10 | C15 | C19 | N21 | 179.9° | 176.1° |
| C15 | C10 | H27 | H26 | 118.7° | 117.4° |
| C10 | C15 | C19 | H34 | 0.1° | 4.0° |
| C11 | C17 | C12 | H32 | 180.0° | 179.9° |
| C11 | C17 | C12 | H29 | 179.9° | 178.9° |
| C17 | C12 | C06 | H23 | 179.5° | 179.6° |
| C12 | C17 | C11 | H28 | 179.4° | 179.8° |
| C13 | C18 | C14 | H33 | 180.0° | 180.0° |
| C18 | C13 | C07 | H24 | 179.1° | 180.0° |
| C13 | C18 | C14 | H31 | 178.5° | 179.7° |
| C14 | C18 | C13 | H30 | 178.7° | 179.9° |
| C18 | C14 | C08 | H25 | 178.6° | 179.7° |
| C15 | C19 | N21 | H34 | 180.0° | 180.0° |
| C15 | C19 | N21 | C20 | 1.1° | 0.6° |
| C19 | C15 | C10 | H27 | 117.2° | 121.6° |
| C19 | C15 | C10 | H26 | 2.0° | 4.3° |
| N16 | C20 | N21 | C19 | 3.2° | 2.3° |
| N16 | C20 | N21 | N22 | 179.1° | 179.9° |
| N16 | C20 | N22 | H35 | 0.0° | 180.0° |
| N16 | C20 | N22 | H36 | 120.0° | 0.1° |
| C19 | N21 | C20 | N22 | 175.8° | 177.8° |
| C20 | N21 | C19 | H34 | 178.8° | 179.5° |
| N21 | C20 | N22 | H35 | 179.1° | 0.1° |
| N21 | C20 | N22 | H36 | 59.1° | 180.0° |
| C20 | N22 | H35 | H36 | 120.0° | 179.9° |
| H1 | C01 | N04 | H2 | 179.1° | 7.0° |
| H23 | C06 | C12 | H29 | 0.5° | 0.4° |
| H24 | C07 | C13 | H30 | 0.9° | 0.0° |
| H28 | C11 | C17 | H32 | 0.6° | 0.1° |
| H30 | C13 | C18 | H33 | 1.3° | 0.0° |
| H32 | C17 | C12 | H29 | 0.1° | 1.2° |
| H33 | C18 | C14 | H31 | 1.5° | 0.4° |
| H25 | C08 | C14 | H31 | 1.3° | 0.6° |
