FVK
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O1 | C2 | sing | 1.43Å | 1.42Å | |
| O1 | C3 | sing | 1.43Å | 1.42Å | |
| C2 | C1 | sing | 1.53Å | 1.51Å | |
| C3 | C4 | sing | 1.53Å | 1.51Å | |
| C1 | N1 | sing | 1.47Å | 1.46Å | |
| C4 | N1 | sing | 1.47Å | 1.46Å | |
| N1 | C5 | sing | 1.35Å | 1.38Å | |
| C5 | O2 | doub | 1.22Å | 1.23Å | |
| C5 | N2 | sing | 1.35Å | 1.32Å | |
| N2 | C6 | sing | 1.47Å | 1.46Å | |
| C6 | C7 | sing | 1.53Å | 1.52Å | |
| C7 | N3 | sing | 1.47Å | 1.47Å | |
| N3 | C8 | sing | 1.47Å | 1.46Å | |
| O5 | C9 | sing | 1.43Å | 1.42Å | |
| C8 | C9 | sing | 1.53Å | 1.52Å | |
| C9 | C10 | sing | 1.53Å | 1.51Å | |
| C10 | O3 | sing | 1.43Å | 1.43Å | |
| O3 | C11 | sing | 1.36Å | 1.37Å | |
| C11 | C16 | doub | 1.39Å | 1.39Å | Aromatic |
| C11 | C12 | sing | 1.39Å | 1.39Å | Aromatic |
| C16 | C15 | sing | 1.38Å | 1.38Å | Aromatic |
| C12 | C13 | doub | 1.38Å | 1.39Å | Aromatic |
| C15 | C14 | doub | 1.39Å | 1.38Å | Aromatic |
| C13 | C14 | sing | 1.39Å | 1.39Å | Aromatic |
| C14 | O4 | sing | 1.36Å | 1.36Å | |
| C4 | H1 | sing | 1.09Å | 1.10Å | |
| C4 | H2 | sing | 1.09Å | 1.10Å | |
| C6 | H3 | sing | 1.09Å | 1.10Å | |
| C6 | H4 | sing | 1.09Å | 1.10Å | |
| C3 | H5 | sing | 1.09Å | 1.10Å | |
| C3 | H6 | sing | 1.09Å | 1.10Å | |
| C1 | H7 | sing | 1.09Å | 1.10Å | |
| C1 | H8 | sing | 1.09Å | 1.10Å | |
| C2 | H9 | sing | 1.09Å | 1.10Å | |
| C2 | H10 | sing | 1.09Å | 1.10Å | |
| O5 | H11 | sing | 0.97Å | 0.95Å | |
| O4 | H12 | sing | 0.97Å | 0.95Å | |
| N2 | H13 | sing | 0.97Å | 1.00Å | |
| C7 | H14 | sing | 1.09Å | 1.10Å | |
| C7 | H15 | sing | 1.09Å | 1.10Å | |
| N3 | H16 | sing | 1.01Å | 1.00Å | |
| C8 | H18 | sing | 1.09Å | 1.10Å | |
| C8 | H19 | sing | 1.09Å | 1.10Å | |
| C9 | H20 | sing | 1.09Å | 1.10Å | |
| C10 | H21 | sing | 1.09Å | 1.10Å | |
| C10 | H22 | sing | 1.09Å | 1.10Å | |
| C12 | H23 | sing | 1.08Å | 1.08Å | |
| C13 | H24 | sing | 1.08Å | 1.08Å | |
| C15 | H25 | sing | 1.08Å | 1.08Å | |
| C16 | H26 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | O1 | C3 | 109.8° | 114.2° |
| O1 | C2 | C1 | 110.9° | 109.3° |
| O1 | C2 | H9 | 109.1° | 109.5° |
| O1 | C2 | H10 | 109.1° | 109.5° |
| O1 | C3 | C4 | 112.3° | 109.2° |
| O1 | C3 | H5 | 108.8° | 109.5° |
| O1 | C3 | H6 | 108.8° | 109.5° |
| C2 | C1 | N1 | 109.6° | 108.4° |
| C2 | C1 | H7 | 109.4° | 109.7° |
| C2 | C1 | H8 | 109.4° | 109.8° |
| C1 | C2 | H9 | 109.1° | 109.5° |
| C1 | C2 | H10 | 109.1° | 109.5° |
| C3 | C4 | N1 | 110.5° | 108.4° |
| C3 | C4 | H1 | 109.2° | 109.6° |
| C3 | C4 | H2 | 109.2° | 109.7° |
| C4 | C3 | H5 | 108.8° | 109.6° |
| C4 | C3 | H6 | 108.8° | 109.5° |
| C1 | N1 | C4 | 112.4° | 118.0° |
| C1 | N1 | C5 | 120.8° | 121.0° |
| N1 | C1 | H7 | 109.4° | 109.7° |
| N1 | C1 | H8 | 109.4° | 109.7° |
| C4 | N1 | C5 | 126.8° | 121.0° |
| N1 | C4 | H1 | 109.2° | 109.7° |
| N1 | C4 | H2 | 109.2° | 109.7° |
| N1 | C5 | O2 | 120.3° | 120.0° |
| N1 | C5 | N2 | 119.2° | 120.0° |
| O2 | C5 | N2 | 120.5° | 120.0° |
| C5 | N2 | C6 | 122.6° | 120.0° |
| C5 | N2 | H13 | 118.7° | 120.0° |
| N2 | C6 | C7 | 112.6° | 109.4° |
| N2 | C6 | H3 | 108.7° | 109.4° |
| N2 | C6 | H4 | 108.7° | 109.5° |
| C6 | N2 | H13 | 118.7° | 120.0° |
| C6 | C7 | N3 | 113.4° | 109.5° |
| C7 | C6 | H3 | 108.7° | 109.5° |
| C7 | C6 | H4 | 108.7° | 109.5° |
| C6 | C7 | H14 | 108.5° | 109.4° |
| C6 | C7 | H15 | 108.5° | 109.5° |
| C7 | N3 | C8 | 113.1° | 111.0° |
| N3 | C7 | H14 | 108.5° | 109.5° |
| N3 | C7 | H15 | 108.5° | 109.5° |
| C7 | N3 | H16 | 108.5° | 111.0° |
| N3 | C8 | C9 | 112.3° | 109.5° |
| C8 | N3 | H16 | 108.6° | 111.0° |
| N3 | C8 | H18 | 108.8° | 109.4° |
| N3 | C8 | H19 | 108.7° | 109.5° |
| O5 | C9 | C8 | 111.3° | 109.5° |
| O5 | C9 | C10 | 109.5° | 109.5° |
| C9 | O5 | H11 | 109.5° | 114.0° |
| O5 | C9 | H20 | 109.6° | 109.4° |
| C8 | C9 | C10 | 109.8° | 109.5° |
| C9 | C8 | H18 | 108.7° | 109.5° |
| C9 | C8 | H19 | 108.8° | 109.5° |
| C8 | C9 | H20 | 108.2° | 109.5° |
| C9 | C10 | O3 | 107.9° | 109.5° |
| C10 | C9 | H20 | 108.4° | 109.5° |
| C9 | C10 | H21 | 109.9° | 109.4° |
| C9 | C10 | H22 | 109.8° | 109.5° |
| C10 | O3 | C11 | 120.0° | 117.0° |
| O3 | C10 | H21 | 109.8° | 109.5° |
| O3 | C10 | H22 | 109.9° | 109.5° |
| O3 | C11 | C16 | 124.5° | 120.0° |
| O3 | C11 | C12 | 116.3° | 120.0° |
| C16 | C11 | C12 | 119.2° | 120.0° |
| C11 | C16 | C15 | 120.2° | 120.0° |
| C11 | C16 | H26 | 119.9° | 120.0° |
| C11 | C12 | C13 | 120.4° | 120.0° |
| C11 | C12 | H23 | 119.8° | 120.0° |
| C16 | C15 | C14 | 120.5° | 120.0° |
| C16 | C15 | H25 | 119.7° | 120.0° |
| C15 | C16 | H26 | 119.9° | 120.0° |
| C12 | C13 | C14 | 120.2° | 120.1° |
| C13 | C12 | H23 | 119.8° | 120.0° |
| C12 | C13 | H24 | 119.9° | 120.0° |
| C15 | C14 | C13 | 119.5° | 120.0° |
| C15 | C14 | O4 | 119.6° | 120.0° |
| C14 | C15 | H25 | 119.7° | 120.0° |
| C13 | C14 | O4 | 120.9° | 120.0° |
| C14 | C13 | H24 | 119.9° | 120.0° |
| C14 | O4 | H12 | 109.5° | 114.0° |
| H1 | C4 | H2 | 109.5° | 109.7° |
| H3 | C6 | H4 | 109.5° | 109.5° |
| H5 | C3 | H6 | 109.5° | 109.5° |
| H7 | C1 | H8 | 109.5° | 109.6° |
| H9 | C2 | H10 | 109.5° | 109.5° |
| H14 | C7 | H15 | 109.5° | 109.5° |
| H18 | C8 | H19 | 109.5° | 109.5° |
| H21 | C10 | H22 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C2 | C1 | H9 | 120.2° | 120.0° |
| O1 | C2 | C1 | H10 | 120.2° | 120.0° |
| C2 | O1 | C3 | C4 | 58.7° | 62.5° |
| O1 | C2 | C1 | N1 | 58.6° | 52.3° |
| C2 | O1 | C3 | H5 | 61.7° | 177.5° |
| C2 | O1 | C3 | H6 | 179.1° | 57.4° |
| O1 | C2 | C1 | H7 | 61.4° | 67.4° |
| O1 | C2 | C1 | H8 | 178.6° | 172.1° |
| O1 | C2 | H9 | H10 | 119.3° | 120.1° |
| C3 | O1 | C2 | C1 | 61.1° | 62.6° |
| O1 | C3 | C4 | H5 | 120.4° | 119.9° |
| O1 | C3 | C4 | H6 | 120.4° | 119.9° |
| O1 | C3 | C4 | N1 | 53.6° | 52.3° |
| O1 | C3 | C4 | H1 | 173.7° | 172.0° |
| O1 | C3 | C4 | H2 | 66.6° | 67.5° |
| O1 | C3 | H5 | H6 | 118.7° | 120.1° |
| C3 | O1 | C2 | H9 | 178.7° | 57.4° |
| C3 | O1 | C2 | H10 | 59.1° | 177.5° |
| C2 | C1 | N1 | H7 | 120.0° | 119.8° |
| C2 | C1 | N1 | H8 | 120.0° | 119.8° |
| C2 | C1 | N1 | C4 | 53.7° | 50.5° |
| C2 | C1 | N1 | C5 | 128.6° | 129.5° |
| C2 | C1 | H7 | H8 | 120.0° | 120.6° |
| C1 | C2 | H9 | H10 | 119.4° | 120.1° |
| C3 | C4 | N1 | C1 | 51.2° | 50.6° |
| C3 | C4 | N1 | H1 | 120.2° | 119.7° |
| C3 | C4 | N1 | H2 | 120.1° | 119.8° |
| C3 | C4 | N1 | C5 | 131.2° | 129.5° |
| C3 | C4 | H1 | H2 | 119.5° | 120.5° |
| C4 | C3 | H5 | H6 | 118.7° | 120.2° |
| C1 | N1 | C4 | C5 | 177.5° | 180.0° |
| C1 | N1 | C5 | O2 | 13.7° | 175.0° |
| C1 | N1 | C5 | N2 | 163.5° | 5.0° |
| C1 | N1 | C4 | H1 | 171.4° | 170.2° |
| C1 | N1 | C4 | H2 | 68.9° | 69.2° |
| N1 | C1 | H7 | H8 | 120.0° | 120.5° |
| N1 | C1 | C2 | H9 | 178.8° | 67.7° |
| N1 | C1 | C2 | H10 | 61.6° | 172.3° |
| C4 | N1 | C5 | O2 | 169.0° | 5.0° |
| C4 | N1 | C5 | N2 | 13.8° | 175.1° |
| N1 | C4 | H1 | H2 | 119.5° | 120.6° |
| N1 | C4 | C3 | H5 | 66.8° | 172.2° |
| N1 | C4 | C3 | H6 | 174.0° | 67.6° |
| C4 | N1 | C1 | H7 | 66.2° | 69.2° |
| C4 | N1 | C1 | H8 | 173.8° | 170.4° |
| N1 | C5 | O2 | N2 | 177.2° | 179.9° |
| N1 | C5 | N2 | C6 | 177.9° | 174.9° |
| C5 | N1 | C4 | H1 | 11.1° | 9.8° |
| C5 | N1 | C4 | H2 | 108.6° | 110.8° |
| C5 | N1 | C1 | H7 | 111.4° | 110.8° |
| C5 | N1 | C1 | H8 | 8.6° | 9.7° |
| N1 | C5 | N2 | H13 | 2.1° | 5.0° |
| O2 | C5 | N2 | C6 | 0.7° | 5.1° |
| O2 | C5 | N2 | H13 | 179.3° | 174.9° |
| C5 | N2 | C6 | H13 | 180.0° | 180.0° |
| C5 | N2 | C6 | C7 | 147.1° | 179.9° |
| C5 | N2 | C6 | H3 | 26.6° | 60.0° |
| C5 | N2 | C6 | H4 | 92.4° | 60.0° |
| N2 | C6 | C7 | H3 | 120.5° | 119.9° |
| N2 | C6 | C7 | H4 | 120.5° | 120.0° |
| N2 | C6 | C7 | N3 | 36.6° | 180.0° |
| N2 | C6 | H3 | H4 | 118.6° | 120.0° |
| N2 | C6 | C7 | H14 | 157.2° | 60.0° |
| N2 | C6 | C7 | H15 | 84.0° | 60.0° |
| C6 | C7 | N3 | H14 | 120.6° | 120.0° |
| C6 | C7 | N3 | H15 | 120.6° | 120.0° |
| C6 | C7 | N3 | C8 | 150.6° | 180.0° |
| C7 | C6 | H3 | H4 | 118.5° | 120.1° |
| C7 | C6 | N2 | H13 | 32.9° | 0.0° |
| C6 | C7 | H14 | H15 | 118.2° | 120.0° |
| C6 | C7 | N3 | H16 | 88.9° | 56.1° |
| C7 | N3 | C8 | H16 | 120.5° | 123.9° |
| C7 | N3 | C8 | C9 | 159.8° | 180.0° |
| N3 | C7 | C6 | H3 | 83.9° | 60.1° |
| N3 | C7 | C6 | H4 | 157.0° | 60.0° |
| N3 | C7 | H14 | H15 | 118.2° | 120.0° |
| C7 | N3 | C8 | H18 | 79.8° | 60.0° |
| C7 | N3 | C8 | H19 | 39.4° | 59.9° |
| N3 | C8 | C9 | O5 | 40.9° | 60.0° |
| N3 | C8 | C9 | H18 | 120.4° | 120.0° |
| N3 | C8 | C9 | H19 | 120.4° | 120.0° |
| N3 | C8 | C9 | C10 | 162.2° | 180.0° |
| C8 | N3 | C7 | H14 | 30.0° | 60.0° |
| C8 | N3 | C7 | H15 | 88.8° | 60.0° |
| N3 | C8 | H18 | H19 | 118.7° | 120.0° |
| N3 | C8 | C9 | H20 | 79.7° | 60.0° |
| O5 | C9 | C8 | C10 | 121.4° | 120.0° |
| O5 | C9 | C8 | H20 | 120.5° | 119.9° |
| O5 | C9 | C10 | H20 | 119.5° | 119.9° |
| O5 | C9 | C10 | O3 | 179.9° | 64.9° |
| O5 | C9 | C8 | H18 | 161.3° | 179.9° |
| O5 | C9 | C8 | H19 | 79.6° | 60.1° |
| O5 | C9 | C10 | H21 | 60.2° | 55.0° |
| O5 | C9 | C10 | H22 | 60.3° | 175.0° |
| C8 | C9 | C10 | H20 | 118.0° | 120.0° |
| C8 | C9 | C10 | O3 | 57.4° | 175.0° |
| C8 | C9 | O5 | H11 | 180.0° | 60.0° |
| C9 | C8 | N3 | H16 | 39.3° | 56.1° |
| C9 | C8 | H18 | H19 | 118.7° | 120.0° |
| C8 | C9 | C10 | H21 | 62.3° | 65.0° |
| C8 | C9 | C10 | H22 | 177.2° | 55.0° |
| C9 | C10 | O3 | H21 | 119.7° | 120.0° |
| C9 | C10 | O3 | H22 | 119.7° | 120.0° |
| C9 | C10 | O3 | C11 | 161.7° | 180.0° |
| C10 | C9 | O5 | H11 | 58.4° | 60.0° |
| C10 | C9 | C8 | H18 | 77.3° | 60.0° |
| C10 | C9 | C8 | H19 | 41.8° | 60.0° |
| C9 | C10 | H21 | H22 | 120.7° | 120.0° |
| C10 | O3 | C11 | C16 | 3.6° | 180.0° |
| C10 | O3 | C11 | C12 | 176.7° | 0.3° |
| O3 | C10 | C9 | H20 | 60.6° | 55.0° |
| O3 | C10 | H21 | H22 | 120.7° | 120.0° |
| O3 | C11 | C16 | C12 | 179.6° | 179.7° |
| O3 | C11 | C16 | C15 | 179.8° | 179.8° |
| O3 | C11 | C12 | C13 | 179.9° | 180.0° |
| C11 | O3 | C10 | H21 | 41.9° | 60.0° |
| C11 | O3 | C10 | H22 | 78.6° | 60.0° |
| O3 | C11 | C12 | H23 | 0.0° | 0.0° |
| O3 | C11 | C16 | H26 | 0.2° | 0.0° |
| C11 | C16 | C15 | H26 | 180.0° | 179.8° |
| C16 | C11 | C12 | C13 | 0.3° | 0.3° |
| C11 | C16 | C15 | C14 | 0.0° | 0.4° |
| C16 | C11 | C12 | H23 | 179.7° | 179.8° |
| C11 | C16 | C15 | H25 | 180.0° | 179.7° |
| C12 | C11 | C16 | C15 | 0.1° | 0.5° |
| C11 | C12 | C13 | H23 | 180.0° | 179.9° |
| C11 | C12 | C13 | C14 | 0.4° | 0.1° |
| C11 | C12 | C13 | H24 | 179.7° | 180.0° |
| C12 | C11 | C16 | H26 | 179.8° | 179.7° |
| C16 | C15 | C14 | H25 | 180.0° | 179.9° |
| C16 | C15 | C14 | C13 | 0.1° | 0.2° |
| C16 | C15 | C14 | O4 | 180.0° | 179.8° |
| C12 | C13 | C14 | C15 | 0.2° | 0.0° |
| C12 | C13 | C14 | H24 | 180.0° | 180.0° |
| C12 | C13 | C14 | O4 | 179.8° | 180.0° |
| C15 | C14 | C13 | O4 | 179.9° | 180.0° |
| C15 | C14 | O4 | H12 | 180.0° | 89.9° |
| C15 | C14 | C13 | H24 | 179.8° | 180.0° |
| C14 | C15 | C16 | H26 | 179.9° | 179.8° |
| C13 | C14 | O4 | H12 | 0.0° | 90.1° |
| C14 | C13 | C12 | H23 | 179.6° | 180.0° |
| C13 | C14 | C15 | H25 | 179.9° | 179.9° |
| O4 | C14 | C13 | H24 | 0.2° | 0.0° |
| O4 | C14 | C15 | H25 | 0.0° | 0.1° |
| H1 | C4 | C3 | H5 | 53.3° | 68.1° |
| H1 | C4 | C3 | H6 | 65.9° | 52.1° |
| H2 | C4 | C3 | H5 | 173.0° | 52.4° |
| H2 | C4 | C3 | H6 | 53.8° | 172.6° |
| H3 | C6 | N2 | H13 | 153.4° | 120.0° |
| H3 | C6 | C7 | H14 | 36.7° | 179.9° |
| H3 | C6 | C7 | H15 | 155.5° | 60.0° |
| H4 | C6 | N2 | H13 | 87.6° | 120.1° |
| H4 | C6 | C7 | H14 | 82.4° | 60.0° |
| H4 | C6 | C7 | H15 | 36.5° | 180.0° |
| H7 | C1 | C2 | H9 | 58.8° | 172.6° |
| H7 | C1 | C2 | H10 | 178.4° | 52.5° |
| H8 | C1 | C2 | H9 | 61.2° | 52.1° |
| H8 | C1 | C2 | H10 | 58.4° | 68.0° |
| H11 | O5 | C9 | H20 | 60.3° | 180.0° |
| H14 | C7 | N3 | H16 | 150.5° | 176.0° |
| H15 | C7 | N3 | H16 | 31.7° | 63.9° |
| H16 | N3 | C8 | H18 | 159.7° | 176.1° |
| H16 | N3 | C8 | H19 | 81.1° | 64.0° |
| H18 | C8 | C9 | H20 | 40.8° | 60.0° |
| H19 | C8 | C9 | H20 | 159.9° | 180.0° |
| H20 | C9 | C10 | H21 | 179.7° | 175.0° |
| H20 | C9 | C10 | H22 | 59.2° | 65.1° |
| H23 | C12 | C13 | H24 | 0.4° | 0.0° |
| H25 | C15 | C16 | H26 | 0.1° | 0.1° |
