6VT
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C16 | C17 | sing | 1.54Å | 1.53Å | |
| C16 | C15 | sing | 1.54Å | 1.55Å | |
| C10 | C11 | doub | 1.38Å | 1.38Å | Aromatic |
| C10 | C9 | sing | 1.39Å | 1.39Å | Aromatic |
| C11 | C12 | sing | 1.38Å | 1.39Å | Aromatic |
| N1 | C6 | sing | 1.38Å | 1.38Å | Aromatic |
| N1 | C7 | sing | 1.35Å | 1.36Å | Aromatic |
| C3 | C6 | doub | 1.39Å | 1.38Å | Aromatic |
| C3 | C2 | sing | 1.38Å | 1.38Å | Aromatic |
| C6 | C5 | sing | 1.40Å | 1.41Å | Aromatic |
| C7 | C8 | doub | 1.36Å | 1.38Å | Aromatic |
| CL1 | C2 | sing | 1.74Å | 1.73Å | |
| C17 | C18 | sing | 1.54Å | 1.53Å | |
| C2 | C1 | doub | 1.40Å | 1.40Å | Aromatic |
| C5 | C8 | sing | 1.48Å | 1.45Å | Aromatic |
| C5 | C4 | doub | 1.39Å | 1.39Å | Aromatic |
| C8 | C19 | sing | 1.47Å | 1.48Å | |
| C1 | C4 | sing | 1.39Å | 1.40Å | Aromatic |
| C1 | C9 | sing | 1.48Å | 1.49Å | |
| C19 | O3 | doub | 1.22Å | 1.32Å | |
| C19 | O2 | sing | 1.35Å | 1.24Å | |
| C9 | C14 | doub | 1.39Å | 1.40Å | Aromatic |
| C12 | C15 | sing | 1.51Å | 1.53Å | |
| C12 | C13 | doub | 1.38Å | 1.39Å | Aromatic |
| C15 | C18 | sing | 1.54Å | 1.55Å | |
| C15 | O1 | sing | 1.43Å | 1.43Å | |
| C14 | C13 | sing | 1.38Å | 1.38Å | Aromatic |
| C4 | H1 | sing | 1.08Å | 1.08Å | |
| C7 | H2 | sing | 1.08Å | 1.08Å | |
| C13 | H3 | sing | 1.08Å | 1.08Å | |
| C18 | H4 | sing | 1.09Å | 1.10Å | |
| C18 | H5 | sing | 1.09Å | 1.10Å | |
| C16 | H6 | sing | 1.09Å | 1.10Å | |
| C16 | H7 | sing | 1.09Å | 1.10Å | |
| C3 | H8 | sing | 1.08Å | 1.08Å | |
| N1 | H9 | sing | 0.97Å | 1.00Å | |
| C10 | H10 | sing | 1.08Å | 1.08Å | |
| C11 | H11 | sing | 1.08Å | 1.08Å | |
| C14 | H12 | sing | 1.08Å | 1.08Å | |
| C17 | H13 | sing | 1.09Å | 1.10Å | |
| C17 | H14 | sing | 1.09Å | 1.10Å | |
| O1 | H15 | sing | 0.97Å | 0.95Å | |
| O2 | H16 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C17 | C16 | C15 | 90.4° | 87.1° |
| C16 | C17 | C18 | 89.6° | 87.0° |
| C17 | C16 | H6 | 114.0° | 113.6° |
| C17 | C16 | H7 | 114.0° | 113.6° |
| C16 | C17 | H13 | 114.2° | 113.6° |
| C16 | C17 | H14 | 114.2° | 113.6° |
| C16 | C15 | C12 | 115.4° | 113.6° |
| C16 | C15 | C18 | 88.3° | 87.1° |
| C16 | C15 | O1 | 108.2° | 113.6° |
| C15 | C16 | H6 | 114.0° | 113.6° |
| C15 | C16 | H7 | 114.0° | 113.6° |
| C11 | C10 | C9 | 121.3° | 119.8° |
| C10 | C11 | C12 | 121.1° | 120.1° |
| C11 | C10 | H10 | 119.4° | 120.1° |
| C10 | C11 | H11 | 119.5° | 119.9° |
| C10 | C9 | C1 | 121.0° | 120.1° |
| C10 | C9 | C14 | 117.4° | 119.8° |
| C9 | C10 | H10 | 119.4° | 120.1° |
| C11 | C12 | C15 | 120.6° | 119.9° |
| C11 | C12 | C13 | 118.0° | 120.3° |
| C12 | C11 | H11 | 119.4° | 120.0° |
| C6 | N1 | C7 | 109.2° | 110.4° |
| N1 | C6 | C3 | 131.0° | 133.0° |
| N1 | C6 | C5 | 107.9° | 107.4° |
| C6 | N1 | H9 | 125.4° | 124.8° |
| N1 | C7 | C8 | 110.1° | 109.8° |
| N1 | C7 | H2 | 125.0° | 125.1° |
| C7 | N1 | H9 | 125.4° | 124.8° |
| C6 | C3 | C2 | 118.9° | 120.1° |
| C3 | C6 | C5 | 121.1° | 119.6° |
| C6 | C3 | H8 | 120.6° | 120.0° |
| C3 | C2 | CL1 | 117.9° | 119.7° |
| C3 | C2 | C1 | 122.0° | 120.5° |
| C2 | C3 | H8 | 120.5° | 119.9° |
| C6 | C5 | C8 | 106.7° | 105.9° |
| C6 | C5 | C4 | 118.7° | 120.2° |
| C7 | C8 | C5 | 106.2° | 106.4° |
| C7 | C8 | C19 | 128.1° | 126.8° |
| C8 | C7 | H2 | 124.9° | 125.1° |
| CL1 | C2 | C1 | 120.0° | 119.8° |
| C17 | C18 | C15 | 90.6° | 87.2° |
| C17 | C18 | H4 | 113.9° | 113.7° |
| C17 | C18 | H5 | 113.9° | 113.6° |
| C18 | C17 | H13 | 114.2° | 113.6° |
| C18 | C17 | H14 | 114.2° | 113.7° |
| C2 | C1 | C4 | 117.8° | 120.0° |
| C2 | C1 | C9 | 123.4° | 120.0° |
| C8 | C5 | C4 | 134.6° | 133.8° |
| C5 | C8 | C19 | 125.7° | 126.8° |
| C5 | C4 | C1 | 121.4° | 119.6° |
| C5 | C4 | H1 | 119.3° | 120.2° |
| C8 | C19 | O3 | 114.9° | 119.9° |
| C8 | C19 | O2 | 121.6° | 120.0° |
| C4 | C1 | C9 | 118.8° | 120.0° |
| C1 | C4 | H1 | 119.3° | 120.2° |
| C1 | C9 | C14 | 121.5° | 120.1° |
| O3 | C19 | O2 | 123.4° | 120.1° |
| C19 | O2 | H16 | 109.5° | 117.0° |
| C9 | C14 | C13 | 121.2° | 119.9° |
| C9 | C14 | H12 | 119.4° | 120.0° |
| C15 | C12 | C13 | 121.3° | 119.9° |
| C12 | C15 | C18 | 116.8° | 113.6° |
| C12 | C15 | O1 | 112.2° | 112.9° |
| C12 | C13 | C14 | 121.0° | 120.1° |
| C12 | C13 | H3 | 119.5° | 120.0° |
| C18 | C15 | O1 | 113.7° | 113.7° |
| C15 | C18 | H4 | 114.0° | 113.6° |
| C15 | C18 | H5 | 114.0° | 113.6° |
| C15 | O1 | H15 | 109.5° | 114.0° |
| C14 | C13 | H3 | 119.5° | 119.9° |
| C13 | C14 | H12 | 119.4° | 120.1° |
| H4 | C18 | H5 | 109.5° | 112.8° |
| H6 | C16 | H7 | 109.5° | 113.0° |
| H13 | C17 | H14 | 109.5° | 112.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C17 | C16 | C15 | H6 | 116.7° | 114.6° |
| C17 | C16 | C15 | H7 | 116.6° | 114.5° |
| C16 | C17 | C18 | H13 | 116.5° | 114.5° |
| C16 | C17 | C18 | H14 | 116.5° | 114.5° |
| C17 | C16 | C15 | C12 | 127.0° | 140.0° |
| C17 | C16 | C15 | C18 | 8.0° | 25.4° |
| C17 | C16 | C15 | O1 | 106.4° | 89.2° |
| C16 | C17 | C18 | H4 | 124.8° | 89.2° |
| C16 | C17 | C18 | H5 | 108.6° | 140.0° |
| C17 | C16 | H6 | H7 | 129.0° | 131.3° |
| C16 | C17 | H13 | H14 | 129.4° | 131.2° |
| C16 | C15 | C12 | C11 | 53.1° | 150.0° |
| C16 | C15 | C12 | C18 | 101.6° | 97.5° |
| C16 | C15 | C12 | O1 | 124.6° | 131.2° |
| C16 | C15 | C12 | C13 | 130.0° | 30.0° |
| C16 | C15 | C18 | O1 | 109.2° | 114.5° |
| C16 | C15 | C18 | H4 | 124.7° | 89.2° |
| C16 | C15 | C18 | H5 | 108.6° | 140.1° |
| C15 | C16 | H6 | H7 | 129.1° | 131.2° |
| C15 | C16 | C17 | H13 | 108.4° | 140.0° |
| C15 | C16 | C17 | H14 | 124.6° | 89.1° |
| C16 | C15 | O1 | H15 | 180.0° | 180.0° |
| C11 | C10 | C9 | H10 | 180.0° | 179.9° |
| C10 | C11 | C12 | H11 | 180.0° | 180.0° |
| C11 | C10 | C9 | C1 | 179.2° | 179.7° |
| C11 | C10 | C9 | C14 | 0.4° | 0.0° |
| C10 | C11 | C12 | C15 | 176.4° | 180.0° |
| C10 | C11 | C12 | C13 | 0.6° | 0.0° |
| C9 | C10 | C11 | C12 | 0.1° | 0.0° |
| C10 | C9 | C1 | C2 | 136.5° | 130.3° |
| C10 | C9 | C1 | C4 | 43.7° | 49.7° |
| C10 | C9 | C1 | C14 | 179.6° | 179.7° |
| C10 | C9 | C14 | C13 | 0.1° | 0.1° |
| C9 | C10 | C11 | H11 | 179.9° | 180.0° |
| C10 | C9 | C14 | H12 | 179.9° | 179.7° |
| C11 | C12 | C15 | C13 | 176.9° | 180.0° |
| C11 | C12 | C15 | C18 | 154.8° | 112.5° |
| C11 | C12 | C15 | O1 | 71.4° | 18.8° |
| C11 | C12 | C13 | C14 | 1.1° | 0.0° |
| C11 | C12 | C13 | H3 | 178.9° | 180.0° |
| C12 | C11 | C10 | H10 | 179.9° | 179.9° |
| C6 | N1 | C7 | H9 | 180.0° | 179.9° |
| N1 | C6 | C3 | C5 | 179.7° | 179.9° |
| N1 | C6 | C3 | C2 | 179.6° | 179.7° |
| C6 | N1 | C7 | C8 | 0.1° | 0.0° |
| N1 | C6 | C5 | C8 | 0.4° | 0.0° |
| N1 | C6 | C5 | C4 | 179.8° | 179.4° |
| C6 | N1 | C7 | H2 | 179.9° | 179.9° |
| N1 | C6 | C3 | H8 | 0.4° | 0.1° |
| C7 | N1 | C6 | C3 | 179.6° | 179.9° |
| C7 | N1 | C6 | C5 | 0.2° | 0.0° |
| N1 | C7 | C8 | H2 | 180.0° | 179.9° |
| N1 | C7 | C8 | C5 | 0.4° | 0.0° |
| N1 | C7 | C8 | C19 | 179.4° | 180.0° |
| C6 | C3 | C2 | H8 | 180.0° | 179.7° |
| C6 | C3 | C2 | CL1 | 178.7° | 180.0° |
| C6 | C3 | C2 | C1 | 0.5° | 0.0° |
| C3 | C6 | C5 | C8 | 179.4° | 180.0° |
| C3 | C6 | C5 | C4 | 0.4° | 0.5° |
| C3 | C6 | N1 | H9 | 0.4° | 0.1° |
| C2 | C3 | C6 | C5 | 0.1° | 0.3° |
| C3 | C2 | CL1 | C1 | 179.2° | 180.0° |
| C3 | C2 | C1 | C4 | 0.3° | 0.0° |
| C3 | C2 | C1 | C9 | 179.9° | 180.0° |
| C6 | C5 | C8 | C7 | 0.5° | 0.0° |
| C6 | C5 | C8 | C4 | 179.7° | 179.3° |
| C6 | C5 | C8 | C19 | 179.6° | 180.0° |
| C6 | C5 | C4 | C1 | 0.6° | 0.6° |
| C6 | C5 | C4 | H1 | 179.4° | 179.8° |
| C5 | C6 | C3 | H8 | 179.9° | 180.0° |
| C5 | C6 | N1 | H9 | 179.8° | 179.9° |
| C7 | C8 | C5 | C19 | 179.1° | 180.0° |
| C7 | C8 | C5 | C4 | 179.8° | 179.3° |
| C7 | C8 | C19 | O3 | 1.7° | 180.0° |
| C7 | C8 | C19 | O2 | 177.1° | 0.1° |
| C8 | C7 | N1 | H9 | 179.9° | 179.9° |
| CL1 | C2 | C1 | C4 | 178.9° | 180.0° |
| CL1 | C2 | C1 | C9 | 0.9° | 0.0° |
| CL1 | C2 | C3 | H8 | 1.3° | 0.2° |
| C17 | C18 | C15 | C12 | 125.7° | 140.0° |
| C17 | C18 | C15 | H4 | 116.6° | 114.7° |
| C17 | C18 | C15 | H5 | 116.7° | 114.6° |
| C17 | C18 | C15 | O1 | 101.2° | 89.1° |
| C17 | C18 | H4 | H5 | 128.9° | 131.2° |
| C18 | C17 | C16 | H6 | 108.6° | 140.0° |
| C18 | C17 | C16 | H7 | 124.7° | 89.0° |
| C18 | C17 | H13 | H14 | 129.4° | 131.3° |
| C2 | C1 | C4 | C5 | 0.2° | 0.3° |
| C2 | C1 | C4 | C9 | 179.8° | 180.0° |
| C2 | C1 | C9 | C14 | 43.9° | 50.0° |
| C2 | C1 | C4 | H1 | 179.8° | 180.0° |
| C1 | C2 | C3 | H8 | 179.5° | 179.7° |
| C8 | C5 | C4 | C1 | 179.1° | 179.8° |
| C5 | C8 | C19 | O3 | 179.4° | 0.0° |
| C5 | C8 | C19 | O2 | 1.8° | 180.0° |
| C8 | C5 | C4 | H1 | 0.9° | 0.5° |
| C5 | C8 | C7 | H2 | 179.6° | 179.9° |
| C4 | C5 | C8 | C19 | 0.7° | 0.7° |
| C5 | C4 | C1 | H1 | 180.0° | 179.7° |
| C5 | C4 | C1 | C9 | 179.6° | 179.7° |
| C8 | C19 | O3 | O2 | 178.8° | 180.0° |
| C19 | C8 | C7 | H2 | 0.5° | 0.1° |
| C8 | C19 | O2 | H16 | 178.7° | 180.0° |
| C4 | C1 | C9 | C14 | 135.9° | 130.0° |
| C1 | C9 | C14 | C13 | 179.7° | 179.8° |
| C9 | C1 | C4 | H1 | 0.4° | 0.0° |
| C1 | C9 | C10 | H10 | 0.8° | 0.3° |
| C1 | C9 | C14 | H12 | 0.3° | 0.0° |
| O3 | C19 | O2 | H16 | 0.0° | 0.0° |
| C9 | C14 | C13 | C12 | 0.8° | 0.1° |
| C9 | C14 | C13 | H12 | 180.0° | 179.8° |
| C9 | C14 | C13 | H3 | 179.1° | 180.0° |
| C14 | C9 | C10 | H10 | 179.6° | 180.0° |
| C12 | C15 | C18 | O1 | 133.1° | 130.9° |
| C15 | C12 | C13 | C14 | 175.9° | 180.0° |
| C15 | C12 | C13 | H3 | 4.2° | 0.0° |
| C12 | C15 | C18 | H4 | 117.6° | 25.4° |
| C12 | C15 | C18 | H5 | 9.0° | 105.4° |
| C12 | C15 | C16 | H6 | 10.3° | 105.5° |
| C12 | C15 | C16 | H7 | 116.4° | 25.5° |
| C15 | C12 | C11 | H11 | 3.6° | 0.0° |
| C12 | C15 | O1 | H15 | 51.6° | 48.8° |
| C13 | C12 | C15 | C18 | 28.3° | 67.5° |
| C13 | C12 | C15 | O1 | 105.4° | 161.2° |
| C12 | C13 | C14 | H3 | 180.0° | 180.0° |
| C13 | C12 | C11 | H11 | 179.4° | 180.0° |
| C12 | C13 | C14 | H12 | 179.2° | 179.7° |
| C15 | C18 | H4 | H5 | 129.0° | 131.1° |
| C18 | C15 | C16 | H6 | 108.7° | 140.0° |
| C18 | C15 | C16 | H7 | 124.6° | 89.1° |
| C15 | C18 | C17 | H13 | 108.4° | 140.0° |
| C15 | C18 | C17 | H14 | 124.6° | 89.1° |
| C18 | C15 | O1 | H15 | 83.6° | 82.5° |
| O1 | C15 | C18 | H4 | 15.5° | 156.3° |
| O1 | C15 | C18 | H5 | 142.2° | 25.5° |
| O1 | C15 | C16 | H6 | 136.9° | 25.4° |
| O1 | C15 | C16 | H7 | 10.2° | 156.3° |
| H2 | C7 | N1 | H9 | 0.1° | 0.0° |
| H3 | C13 | C14 | H12 | 0.9° | 0.3° |
| H4 | C18 | C17 | H13 | 8.3° | 25.4° |
| H4 | C18 | C17 | H14 | 118.7° | 156.3° |
| H5 | C18 | C17 | H13 | 134.9° | 105.4° |
| H5 | C18 | C17 | H14 | 7.9° | 25.5° |
| H6 | C16 | C17 | H13 | 135.0° | 105.5° |
| H6 | C16 | C17 | H14 | 7.9° | 25.4° |
| H7 | C16 | C17 | H13 | 8.2° | 25.5° |
| H7 | C16 | C17 | H14 | 118.8° | 156.4° |
| H10 | C10 | C11 | H11 | 0.2° | 0.1° |
