V6K
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C5 | C4 | doub | 1.37Å | 1.38Å | Aromatic |
| C5 | C6 | sing | 1.39Å | 1.39Å | Aromatic |
| O7 | C6 | sing | 1.36Å | 1.37Å | |
| N22 | C10 | trip | 1.14Å | 1.16Å | |
| C4 | C3 | sing | 1.40Å | 1.40Å | Aromatic |
| C6 | C1 | doub | 1.39Å | 1.39Å | Aromatic |
| C10 | C9 | sing | 1.43Å | 1.43Å | |
| C3 | C2 | doub | 1.40Å | 1.40Å | Aromatic |
| C3 | C8 | sing | 1.46Å | 1.47Å | |
| C1 | C2 | sing | 1.37Å | 1.38Å | Aromatic |
| C9 | C8 | doub | 1.38Å | 1.35Å | |
| C9 | C11 | sing | 1.47Å | 1.41Å | |
| N13 | C11 | sing | 1.35Å | 1.33Å | |
| N13 | C14 | sing | 1.46Å | 1.45Å | |
| C11 | O12 | doub | 1.22Å | 1.25Å | |
| C14 | C15 | sing | 1.53Å | 1.51Å | |
| C21 | C20 | sing | 1.53Å | 1.51Å | |
| C21 | N16 | sing | 1.47Å | 1.47Å | |
| C15 | N16 | sing | 1.47Å | 1.47Å | |
| C20 | O19 | sing | 1.43Å | 1.42Å | |
| N16 | C17 | sing | 1.47Å | 1.47Å | |
| O19 | C18 | sing | 1.43Å | 1.42Å | |
| C17 | C18 | sing | 1.53Å | 1.51Å | |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C14 | H2 | sing | 1.09Å | 1.10Å | |
| C14 | H3 | sing | 1.09Å | 1.10Å | |
| C15 | H4 | sing | 1.09Å | 1.10Å | |
| C15 | H5 | sing | 1.09Å | 1.10Å | |
| C17 | H6 | sing | 1.09Å | 1.10Å | |
| C17 | H7 | sing | 1.09Å | 1.10Å | |
| C18 | H8 | sing | 1.09Å | 1.10Å | |
| C18 | H9 | sing | 1.09Å | 1.10Å | |
| C2 | H10 | sing | 1.08Å | 1.08Å | |
| C20 | H11 | sing | 1.09Å | 1.10Å | |
| C20 | H12 | sing | 1.09Å | 1.10Å | |
| C21 | H13 | sing | 1.09Å | 1.10Å | |
| C21 | H14 | sing | 1.09Å | 1.10Å | |
| C4 | H15 | sing | 1.08Å | 1.08Å | |
| C5 | H16 | sing | 1.08Å | 1.08Å | |
| C8 | H17 | sing | 1.08Å | 1.08Å | |
| N13 | H18 | sing | 0.97Å | 1.00Å | |
| O7 | H20 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C4 | C5 | C6 | 120.1° | 120.1° |
| C5 | C4 | C3 | 121.0° | 119.9° |
| C5 | C4 | H15 | 119.5° | 120.0° |
| C4 | C5 | H16 | 119.9° | 119.9° |
| C5 | C6 | O7 | 120.3° | 119.8° |
| C5 | C6 | C1 | 120.2° | 120.3° |
| C6 | C5 | H16 | 120.0° | 120.0° |
| O7 | C6 | C1 | 119.5° | 119.9° |
| C6 | O7 | H20 | 109.5° | 114.0° |
| N22 | C10 | C9 | 179.7° | 180.0° |
| C4 | C3 | C2 | 117.6° | 119.7° |
| C4 | C3 | C8 | 123.6° | 120.1° |
| C3 | C4 | H15 | 119.5° | 120.1° |
| C6 | C1 | C2 | 119.4° | 120.1° |
| C6 | C1 | H1 | 120.3° | 120.0° |
| C10 | C9 | C8 | 122.1° | 120.0° |
| C10 | C9 | C11 | 118.5° | 120.0° |
| C2 | C3 | C8 | 118.8° | 120.1° |
| C3 | C2 | C1 | 121.7° | 119.8° |
| C3 | C2 | H10 | 119.1° | 120.1° |
| C3 | C8 | C9 | 136.1° | 120.0° |
| C3 | C8 | H17 | 111.9° | 120.0° |
| C2 | C1 | H1 | 120.3° | 119.9° |
| C1 | C2 | H10 | 119.2° | 120.1° |
| C8 | C9 | C11 | 118.6° | 120.0° |
| C9 | C8 | H17 | 112.0° | 120.0° |
| C9 | C11 | N13 | 118.5° | 120.0° |
| C9 | C11 | O12 | 118.0° | 120.0° |
| C11 | N13 | C14 | 123.5° | 120.0° |
| N13 | C11 | O12 | 123.3° | 120.0° |
| C11 | N13 | H18 | 118.2° | 120.0° |
| N13 | C14 | C15 | 113.5° | 109.5° |
| N13 | C14 | H2 | 108.5° | 109.5° |
| N13 | C14 | H3 | 108.5° | 109.5° |
| C14 | N13 | H18 | 118.3° | 120.0° |
| C14 | C15 | N16 | 111.8° | 109.5° |
| C15 | C14 | H2 | 108.4° | 109.5° |
| C15 | C14 | H3 | 108.4° | 109.4° |
| C14 | C15 | H4 | 108.9° | 109.5° |
| C14 | C15 | H5 | 108.9° | 109.5° |
| C20 | C21 | N16 | 111.5° | 109.3° |
| C21 | C20 | O19 | 112.8° | 109.2° |
| C21 | C20 | H11 | 108.7° | 109.5° |
| C21 | C20 | H12 | 108.6° | 109.5° |
| C20 | C21 | H13 | 109.0° | 109.5° |
| C20 | C21 | H14 | 109.0° | 109.5° |
| C21 | N16 | C15 | 111.2° | 111.1° |
| C21 | N16 | C17 | 109.6° | 110.8° |
| N16 | C21 | H13 | 109.0° | 109.5° |
| N16 | C21 | H14 | 109.0° | 109.5° |
| C15 | N16 | C17 | 112.8° | 111.0° |
| N16 | C15 | H4 | 108.9° | 109.4° |
| N16 | C15 | H5 | 108.9° | 109.4° |
| C20 | O19 | C18 | 110.7° | 113.7° |
| O19 | C20 | H11 | 108.6° | 109.5° |
| O19 | C20 | H12 | 108.6° | 109.5° |
| N16 | C17 | C18 | 110.1° | 109.3° |
| N16 | C17 | H6 | 109.3° | 109.5° |
| N16 | C17 | H7 | 109.3° | 109.6° |
| O19 | C18 | C17 | 113.1° | 109.3° |
| O19 | C18 | H8 | 108.6° | 109.5° |
| O19 | C18 | H9 | 108.5° | 109.5° |
| C18 | C17 | H6 | 109.3° | 109.5° |
| C18 | C17 | H7 | 109.3° | 109.4° |
| C17 | C18 | H8 | 108.5° | 109.6° |
| C17 | C18 | H9 | 108.6° | 109.5° |
| H2 | C14 | H3 | 109.5° | 109.4° |
| H4 | C15 | H5 | 109.5° | 109.4° |
| H6 | C17 | H7 | 109.5° | 109.5° |
| H8 | C18 | H9 | 109.5° | 109.5° |
| H11 | C20 | H12 | 109.5° | 109.5° |
| H13 | C21 | H14 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C4 | C5 | C6 | H16 | 180.0° | 179.8° |
| C4 | C5 | C6 | O7 | 179.2° | 180.0° |
| C5 | C4 | C3 | H15 | 180.0° | 180.0° |
| C4 | C5 | C6 | C1 | 0.3° | 0.5° |
| C5 | C4 | C3 | C2 | 0.1° | 0.0° |
| C5 | C4 | C3 | C8 | 178.4° | 180.0° |
| C5 | C6 | O7 | C1 | 179.6° | 179.5° |
| C6 | C5 | C4 | C3 | 0.2° | 0.2° |
| C5 | C6 | C1 | C2 | 0.3° | 0.6° |
| C5 | C6 | C1 | H1 | 179.7° | 179.7° |
| C6 | C5 | C4 | H15 | 179.7° | 179.7° |
| C5 | C6 | O7 | H20 | 180.0° | 90.0° |
| O7 | C6 | C1 | C2 | 179.3° | 179.9° |
| O7 | C6 | C1 | H1 | 0.7° | 0.2° |
| O7 | C6 | C5 | H16 | 0.8° | 0.2° |
| N22 | C10 | C9 | C8 | 94.0° | 156.0° |
| N22 | C10 | C9 | C11 | 75.8° | 24.0° |
| C4 | C3 | C2 | C8 | 178.4° | 180.0° |
| C4 | C3 | C2 | C1 | 0.1° | 0.1° |
| C4 | C3 | C8 | C9 | 4.6° | 150.4° |
| C4 | C3 | C2 | H10 | 179.9° | 179.9° |
| C3 | C4 | C5 | H16 | 179.8° | 180.0° |
| C4 | C3 | C8 | H17 | 175.4° | 29.6° |
| C6 | C1 | C2 | C3 | 0.1° | 0.4° |
| C6 | C1 | C2 | H1 | 180.0° | 179.7° |
| C6 | C1 | C2 | H10 | 179.8° | 179.8° |
| C1 | C6 | C5 | H16 | 179.7° | 179.7° |
| C1 | C6 | O7 | H20 | 0.4° | 90.5° |
| C10 | C9 | C8 | C3 | 4.7° | 6.8° |
| C10 | C9 | C8 | C11 | 169.8° | 180.0° |
| C10 | C9 | C11 | N13 | 17.7° | 0.0° |
| C10 | C9 | C11 | O12 | 157.7° | 180.0° |
| C10 | C9 | C8 | H17 | 175.4° | 173.2° |
| C3 | C2 | C1 | H10 | 180.0° | 179.8° |
| C2 | C3 | C8 | C9 | 177.1° | 29.5° |
| C3 | C2 | C1 | H1 | 179.8° | 180.0° |
| C2 | C3 | C4 | H15 | 179.9° | 180.0° |
| C2 | C3 | C8 | H17 | 3.0° | 150.4° |
| C8 | C3 | C2 | C1 | 178.5° | 180.0° |
| C3 | C8 | C9 | H17 | 180.0° | 179.9° |
| C3 | C8 | C9 | C11 | 174.4° | 173.2° |
| C8 | C3 | C2 | H10 | 1.5° | 0.1° |
| C8 | C3 | C4 | H15 | 1.5° | 0.0° |
| C8 | C9 | C11 | N13 | 172.2° | 179.9° |
| C8 | C9 | C11 | O12 | 12.4° | 0.0° |
| C9 | C11 | N13 | O12 | 175.1° | 179.9° |
| C9 | C11 | N13 | C14 | 177.3° | 180.0° |
| C11 | C9 | C8 | H17 | 5.6° | 6.8° |
| C9 | C11 | N13 | H18 | 2.7° | 0.1° |
| C11 | N13 | C14 | H18 | 180.0° | 179.9° |
| C11 | N13 | C14 | C15 | 66.3° | 180.0° |
| C11 | N13 | C14 | H2 | 54.3° | 60.0° |
| C11 | N13 | C14 | H3 | 173.1° | 60.0° |
| C14 | N13 | C11 | O12 | 2.1° | 0.1° |
| N13 | C14 | C15 | H2 | 120.6° | 120.1° |
| N13 | C14 | C15 | H3 | 120.6° | 120.0° |
| N13 | C14 | C15 | N16 | 159.3° | 180.0° |
| N13 | C14 | H2 | H3 | 118.2° | 120.0° |
| N13 | C14 | C15 | H4 | 38.9° | 60.0° |
| N13 | C14 | C15 | H5 | 80.4° | 60.0° |
| O12 | C11 | N13 | H18 | 177.8° | 180.0° |
| C14 | C15 | N16 | C21 | 66.8° | 169.9° |
| C14 | C15 | N16 | H4 | 120.3° | 120.0° |
| C14 | C15 | N16 | H5 | 120.3° | 120.1° |
| C14 | C15 | N16 | C17 | 169.5° | 66.3° |
| C15 | C14 | H2 | H3 | 118.1° | 119.9° |
| C14 | C15 | H4 | H5 | 118.9° | 120.0° |
| C15 | C14 | N13 | H18 | 113.6° | 0.1° |
| C20 | C21 | N16 | H13 | 120.3° | 120.0° |
| C20 | C21 | N16 | H14 | 120.3° | 120.0° |
| C20 | C21 | N16 | C15 | 136.3° | 177.6° |
| C21 | C20 | O19 | H11 | 120.5° | 120.0° |
| C21 | C20 | O19 | H12 | 120.5° | 120.0° |
| C20 | C21 | N16 | C17 | 10.8° | 58.6° |
| C21 | C20 | O19 | C18 | 58.3° | 58.7° |
| C21 | C20 | H11 | H12 | 118.5° | 120.1° |
| C20 | C21 | H13 | H14 | 119.1° | 120.1° |
| C21 | N16 | C15 | C17 | 123.7° | 123.7° |
| N16 | C21 | C20 | O19 | 49.1° | 56.8° |
| C21 | N16 | C17 | C18 | 59.5° | 58.5° |
| C21 | N16 | C15 | H4 | 53.5° | 49.9° |
| C21 | N16 | C15 | H5 | 172.9° | 70.0° |
| C21 | N16 | C17 | H6 | 60.6° | 178.5° |
| C21 | N16 | C17 | H7 | 179.6° | 61.4° |
| N16 | C21 | C20 | H11 | 169.6° | 63.2° |
| N16 | C21 | C20 | H12 | 71.4° | 176.8° |
| N16 | C21 | H13 | H14 | 119.1° | 120.0° |
| C15 | N16 | C17 | C18 | 176.0° | 177.6° |
| N16 | C15 | C14 | H2 | 80.1° | 60.0° |
| N16 | C15 | C14 | H3 | 38.6° | 60.0° |
| N16 | C15 | H4 | H5 | 119.0° | 119.9° |
| C15 | N16 | C17 | H6 | 64.0° | 57.6° |
| C15 | N16 | C17 | H7 | 55.8° | 62.5° |
| C15 | N16 | C21 | H13 | 16.0° | 62.4° |
| C15 | N16 | C21 | H14 | 103.4° | 57.6° |
| C20 | O19 | C18 | C17 | 7.6° | 58.6° |
| C20 | O19 | C18 | H8 | 128.1° | 178.7° |
| C20 | O19 | C18 | H9 | 113.0° | 61.3° |
| O19 | C20 | H11 | H12 | 118.5° | 120.1° |
| O19 | C20 | C21 | H13 | 169.3° | 63.1° |
| O19 | C20 | C21 | H14 | 71.3° | 176.8° |
| N16 | C17 | C18 | O19 | 51.6° | 56.8° |
| N16 | C17 | C18 | H6 | 120.1° | 120.0° |
| N16 | C17 | C18 | H7 | 120.1° | 120.0° |
| C17 | N16 | C15 | H4 | 70.1° | 173.6° |
| C17 | N16 | C15 | H5 | 49.2° | 53.7° |
| N16 | C17 | H6 | H7 | 119.7° | 120.2° |
| N16 | C17 | C18 | H8 | 69.0° | 176.8° |
| N16 | C17 | C18 | H9 | 172.1° | 63.1° |
| C17 | N16 | C21 | H13 | 109.5° | 61.4° |
| C17 | N16 | C21 | H14 | 131.1° | 178.6° |
| O19 | C18 | C17 | H8 | 120.6° | 120.0° |
| O19 | C18 | C17 | H9 | 120.5° | 119.9° |
| O19 | C18 | C17 | H6 | 68.5° | 176.8° |
| O19 | C18 | C17 | H7 | 171.7° | 63.2° |
| O19 | C18 | H8 | H9 | 118.3° | 120.0° |
| C18 | O19 | C20 | H11 | 178.8° | 61.3° |
| C18 | O19 | C20 | H12 | 62.2° | 178.6° |
| C18 | C17 | H6 | H7 | 119.7° | 120.0° |
| C17 | C18 | H8 | H9 | 118.3° | 120.1° |
| H1 | C1 | C2 | H10 | 0.2° | 0.1° |
| H2 | C14 | C15 | H4 | 159.5° | 60.0° |
| H2 | C14 | C15 | H5 | 40.2° | 180.0° |
| H2 | C14 | N13 | H18 | 125.8° | 119.9° |
| H3 | C14 | C15 | H4 | 81.7° | 180.0° |
| H3 | C14 | C15 | H5 | 159.0° | 60.1° |
| H3 | C14 | N13 | H18 | 6.9° | 120.1° |
| H6 | C17 | C18 | H8 | 171.0° | 63.2° |
| H6 | C17 | C18 | H9 | 52.1° | 56.9° |
| H7 | C17 | C18 | H8 | 51.2° | 56.8° |
| H7 | C17 | C18 | H9 | 67.7° | 176.9° |
| H11 | C20 | C21 | H13 | 70.2° | 176.9° |
| H11 | C20 | C21 | H14 | 49.2° | 56.8° |
| H12 | C20 | C21 | H13 | 48.9° | 56.9° |
| H12 | C20 | C21 | H14 | 168.2° | 63.2° |
| H15 | C4 | C5 | H16 | 0.3° | 0.0° |
