YOV
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C04 | N02 | sing | 1.47Å | 1.46Å | |
| C04 | C05 | sing | 1.53Å | 1.53Å | |
| C03 | N02 | sing | 1.47Å | 1.45Å | |
| C01 | N02 | sing | 1.47Å | 1.45Å | |
| C05 | C06 | sing | 1.51Å | 1.53Å | |
| C06 | C21 | doub | 1.38Å | 1.38Å | Aromatic |
| C06 | C07 | sing | 1.38Å | 1.39Å | Aromatic |
| C21 | C20 | sing | 1.38Å | 1.39Å | Aromatic |
| C07 | C08 | doub | 1.38Å | 1.39Å | Aromatic |
| C20 | C09 | doub | 1.39Å | 1.39Å | Aromatic |
| C08 | C09 | sing | 1.39Å | 1.38Å | Aromatic |
| C09 | N10 | sing | 1.40Å | 1.47Å | |
| N10 | C11 | sing | 1.39Å | 1.46Å | |
| C12 | C11 | sing | 1.41Å | 1.38Å | |
| C12 | N13 | doub | 1.30Å | 1.32Å | |
| C11 | C18 | doub | 1.38Å | 1.39Å | |
| N13 | N14 | sing | 1.40Å | 1.37Å | |
| C18 | CL19 | sing | 1.74Å | 1.78Å | |
| C18 | C16 | sing | 1.40Å | 1.38Å | |
| N14 | C16 | sing | 1.35Å | 1.32Å | |
| N14 | C15 | sing | 1.47Å | 1.45Å | |
| C16 | O17 | doub | 1.22Å | 1.18Å | |
| C01 | H1 | sing | 1.09Å | 1.10Å | |
| C01 | H2 | sing | 1.09Å | 1.10Å | |
| C01 | H3 | sing | 1.09Å | 1.10Å | |
| C03 | H4 | sing | 1.09Å | 1.10Å | |
| C03 | H5 | sing | 1.09Å | 1.10Å | |
| C03 | H6 | sing | 1.09Å | 1.10Å | |
| C04 | H7 | sing | 1.09Å | 1.10Å | |
| C04 | H8 | sing | 1.09Å | 1.10Å | |
| C05 | H9 | sing | 1.09Å | 1.10Å | |
| C05 | H10 | sing | 1.09Å | 1.10Å | |
| C07 | H11 | sing | 1.08Å | 1.08Å | |
| C08 | H12 | sing | 1.08Å | 1.08Å | |
| C12 | H13 | sing | 1.08Å | 1.08Å | |
| C15 | H14 | sing | 1.09Å | 1.10Å | |
| C15 | H15 | sing | 1.09Å | 1.10Å | |
| C15 | H16 | sing | 1.09Å | 1.10Å | |
| C20 | H17 | sing | 1.08Å | 1.08Å | |
| C21 | H18 | sing | 1.08Å | 1.08Å | |
| N10 | H20 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N02 | C04 | C05 | 110.5° | 109.5° |
| C04 | N02 | C03 | 109.4° | 111.0° |
| C04 | N02 | C01 | 109.5° | 111.0° |
| N02 | C04 | H7 | 109.2° | 109.5° |
| N02 | C04 | H8 | 109.2° | 109.4° |
| C04 | C05 | C06 | 112.4° | 109.5° |
| C05 | C04 | H7 | 109.2° | 109.5° |
| C05 | C04 | H8 | 109.2° | 109.5° |
| C04 | C05 | H9 | 108.7° | 109.5° |
| C04 | C05 | H10 | 108.7° | 109.5° |
| C03 | N02 | C01 | 109.5° | 111.0° |
| N02 | C03 | H4 | 109.5° | 109.4° |
| N02 | C03 | H5 | 109.5° | 109.5° |
| N02 | C03 | H6 | 109.5° | 109.4° |
| N02 | C01 | H1 | 109.5° | 109.5° |
| N02 | C01 | H2 | 109.5° | 109.5° |
| N02 | C01 | H3 | 109.5° | 109.4° |
| C05 | C06 | C21 | 120.2° | 119.9° |
| C05 | C06 | C07 | 120.1° | 119.9° |
| C06 | C05 | H9 | 108.8° | 109.5° |
| C06 | C05 | H10 | 108.7° | 109.5° |
| C21 | C06 | C07 | 119.8° | 120.1° |
| C06 | C21 | C20 | 119.7° | 120.1° |
| C06 | C21 | H18 | 120.2° | 119.9° |
| C06 | C07 | C08 | 120.6° | 120.1° |
| C06 | C07 | H11 | 119.7° | 120.0° |
| C21 | C20 | C09 | 120.7° | 119.9° |
| C21 | C20 | H17 | 119.7° | 120.0° |
| C20 | C21 | H18 | 120.1° | 120.0° |
| C07 | C08 | C09 | 119.5° | 119.9° |
| C08 | C07 | H11 | 119.7° | 120.0° |
| C07 | C08 | H12 | 120.2° | 120.0° |
| C20 | C09 | C08 | 119.8° | 119.9° |
| C20 | C09 | N10 | 118.1° | 120.1° |
| C09 | C20 | H17 | 119.6° | 120.1° |
| C08 | C09 | N10 | 122.2° | 120.1° |
| C09 | C08 | H12 | 120.2° | 120.0° |
| C09 | N10 | C11 | 123.7° | 120.0° |
| C09 | N10 | H20 | 118.1° | 120.0° |
| N10 | C11 | C12 | 119.7° | 120.3° |
| N10 | C11 | C18 | 120.5° | 120.3° |
| C11 | N10 | H20 | 118.2° | 120.0° |
| C11 | C12 | N13 | 118.5° | 120.4° |
| C12 | C11 | C18 | 119.8° | 119.4° |
| C11 | C12 | H13 | 120.7° | 119.8° |
| C12 | N13 | N14 | 122.4° | 121.0° |
| N13 | C12 | H13 | 120.7° | 119.7° |
| C11 | C18 | CL19 | 123.1° | 120.5° |
| C11 | C18 | C16 | 118.8° | 119.0° |
| N13 | N14 | C16 | 120.7° | 120.6° |
| N13 | N14 | C15 | 118.8° | 119.7° |
| CL19 | C18 | C16 | 118.1° | 120.5° |
| C18 | C16 | N14 | 119.8° | 119.6° |
| C18 | C16 | O17 | 120.1° | 120.2° |
| C16 | N14 | C15 | 120.5° | 119.7° |
| N14 | C16 | O17 | 120.1° | 120.2° |
| N14 | C15 | H14 | 109.5° | 109.4° |
| N14 | C15 | H15 | 109.5° | 109.5° |
| N14 | C15 | H16 | 109.5° | 109.4° |
| H1 | C01 | H2 | 109.5° | 109.5° |
| H1 | C01 | H3 | 109.5° | 109.5° |
| H2 | C01 | H3 | 109.5° | 109.5° |
| H4 | C03 | H5 | 109.4° | 109.5° |
| H4 | C03 | H6 | 109.5° | 109.5° |
| H5 | C03 | H6 | 109.5° | 109.5° |
| H7 | C04 | H8 | 109.5° | 109.4° |
| H9 | C05 | H10 | 109.5° | 109.4° |
| H14 | C15 | H15 | 109.5° | 109.5° |
| H14 | C15 | H16 | 109.5° | 109.5° |
| H15 | C15 | H16 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N02 | C04 | C05 | H7 | 120.1° | 120.0° |
| N02 | C04 | C05 | H8 | 120.2° | 120.0° |
| C04 | N02 | C03 | C01 | 120.0° | 124.0° |
| N02 | C04 | C05 | C06 | 71.1° | 180.0° |
| C04 | N02 | C01 | H1 | 180.0° | 180.0° |
| C04 | N02 | C01 | H2 | 60.0° | 59.9° |
| C04 | N02 | C01 | H3 | 60.0° | 60.1° |
| C04 | N02 | C03 | H4 | 180.0° | 64.0° |
| C04 | N02 | C03 | H5 | 60.0° | 56.0° |
| C04 | N02 | C03 | H6 | 60.0° | 176.0° |
| N02 | C04 | H7 | H8 | 119.6° | 120.0° |
| N02 | C04 | C05 | H9 | 49.4° | 60.0° |
| N02 | C04 | C05 | H10 | 168.5° | 60.0° |
| C05 | C04 | N02 | C03 | 175.1° | 66.0° |
| C05 | C04 | N02 | C01 | 64.8° | 170.0° |
| C04 | C05 | C06 | H9 | 120.4° | 120.1° |
| C04 | C05 | C06 | H10 | 120.4° | 120.0° |
| C04 | C05 | C06 | C21 | 61.4° | 90.0° |
| C04 | C05 | C06 | C07 | 118.5° | 89.7° |
| C05 | C04 | H7 | H8 | 119.5° | 120.0° |
| C04 | C05 | H9 | H10 | 118.6° | 120.0° |
| C03 | N02 | C01 | H1 | 60.0° | 56.0° |
| C03 | N02 | C01 | H2 | 60.0° | 176.1° |
| C03 | N02 | C01 | H3 | 180.0° | 63.9° |
| N02 | C03 | H4 | H5 | 120.0° | 120.0° |
| N02 | C03 | H4 | H6 | 120.0° | 119.9° |
| N02 | C03 | H5 | H6 | 120.0° | 120.0° |
| C03 | N02 | C04 | H7 | 64.7° | 174.0° |
| C03 | N02 | C04 | H8 | 55.0° | 54.0° |
| N02 | C01 | H1 | H2 | 120.0° | 120.0° |
| N02 | C01 | H1 | H3 | 120.0° | 120.0° |
| N02 | C01 | H2 | H3 | 120.0° | 120.0° |
| C01 | N02 | C03 | H4 | 60.0° | 60.0° |
| C01 | N02 | C03 | H5 | 180.0° | 180.0° |
| C01 | N02 | C03 | H6 | 60.0° | 60.0° |
| C01 | N02 | C04 | H7 | 55.3° | 50.0° |
| C01 | N02 | C04 | H8 | 175.0° | 70.0° |
| C05 | C06 | C21 | C07 | 179.9° | 179.7° |
| C05 | C06 | C21 | C20 | 180.0° | 179.8° |
| C05 | C06 | C07 | C08 | 179.9° | 180.0° |
| C06 | C05 | C04 | H7 | 168.8° | 60.0° |
| C06 | C05 | C04 | H8 | 49.1° | 60.0° |
| C06 | C05 | H9 | H10 | 118.7° | 119.9° |
| C05 | C06 | C07 | H11 | 0.1° | 0.1° |
| C05 | C06 | C21 | H18 | 0.1° | 0.1° |
| C06 | C21 | C20 | H18 | 180.0° | 179.7° |
| C21 | C06 | C07 | C08 | 0.0° | 0.4° |
| C06 | C21 | C20 | C09 | 0.1° | 0.5° |
| C21 | C06 | C05 | H9 | 178.2° | 30.1° |
| C21 | C06 | C05 | H10 | 59.0° | 150.0° |
| C21 | C06 | C07 | H11 | 180.0° | 179.8° |
| C06 | C21 | C20 | H17 | 179.9° | 179.7° |
| C07 | C06 | C21 | C20 | 0.0° | 0.6° |
| C06 | C07 | C08 | H11 | 180.0° | 179.9° |
| C06 | C07 | C08 | C09 | 0.0° | 0.1° |
| C07 | C06 | C05 | H9 | 1.9° | 150.3° |
| C07 | C06 | C05 | H10 | 121.0° | 30.4° |
| C06 | C07 | C08 | H12 | 180.0° | 180.0° |
| C07 | C06 | C21 | H18 | 180.0° | 179.7° |
| C21 | C20 | C09 | H17 | 180.0° | 179.8° |
| C21 | C20 | C09 | C08 | 0.1° | 0.3° |
| C21 | C20 | C09 | N10 | 179.9° | 179.7° |
| C07 | C08 | C09 | C20 | 0.1° | 0.1° |
| C07 | C08 | C09 | H12 | 180.0° | 179.9° |
| C07 | C08 | C09 | N10 | 179.9° | 179.9° |
| C20 | C09 | C08 | N10 | 179.8° | 180.0° |
| C20 | C09 | N10 | C11 | 146.6° | 172.4° |
| C20 | C09 | C08 | H12 | 179.9° | 180.0° |
| C09 | C20 | C21 | H18 | 179.9° | 179.8° |
| C20 | C09 | N10 | H20 | 33.4° | 7.7° |
| C08 | C09 | N10 | C11 | 33.6° | 7.6° |
| C09 | C08 | C07 | H11 | 180.0° | 180.0° |
| C08 | C09 | C20 | H17 | 179.9° | 180.0° |
| C08 | C09 | N10 | H20 | 146.4° | 172.3° |
| C09 | N10 | C11 | H20 | 180.0° | 179.9° |
| C09 | N10 | C11 | C12 | 16.1° | 58.7° |
| C09 | N10 | C11 | C18 | 162.9° | 121.6° |
| N10 | C09 | C08 | H12 | 0.1° | 0.0° |
| N10 | C09 | C20 | H17 | 0.1° | 0.0° |
| N10 | C11 | C12 | C18 | 179.0° | 179.8° |
| N10 | C11 | C12 | N13 | 179.5° | 179.7° |
| N10 | C11 | C18 | CL19 | 0.8° | 0.3° |
| N10 | C11 | C18 | C16 | 179.5° | 179.8° |
| N10 | C11 | C12 | H13 | 0.4° | 0.2° |
| C11 | C12 | N13 | H13 | 180.0° | 180.0° |
| C11 | C12 | N13 | N14 | 0.0° | 0.0° |
| C12 | C11 | C18 | CL19 | 179.8° | 180.0° |
| C12 | C11 | C18 | C16 | 0.5° | 0.0° |
| C12 | C11 | N10 | H20 | 163.9° | 121.4° |
| N13 | C12 | C11 | C18 | 0.5° | 0.0° |
| C12 | N13 | N14 | C16 | 0.5° | 0.0° |
| C12 | N13 | N14 | C15 | 179.6° | 180.0° |
| C11 | C18 | CL19 | C16 | 179.8° | 179.9° |
| C11 | C18 | C16 | N14 | 0.1° | 0.0° |
| C11 | C18 | C16 | O17 | 179.7° | 180.0° |
| C18 | C11 | C12 | H13 | 179.5° | 180.0° |
| C18 | C11 | N10 | H20 | 17.1° | 58.3° |
| N13 | N14 | C16 | C18 | 0.5° | 0.0° |
| N13 | N14 | C16 | C15 | 179.1° | 180.0° |
| N13 | N14 | C16 | O17 | 179.9° | 180.0° |
| N14 | N13 | C12 | H13 | 179.9° | 180.0° |
| N13 | N14 | C15 | H14 | 0.0° | 0.0° |
| N13 | N14 | C15 | H15 | 120.0° | 119.9° |
| N13 | N14 | C15 | H16 | 120.0° | 120.0° |
| CL19 | C18 | C16 | N14 | 179.7° | 180.0° |
| CL19 | C18 | C16 | O17 | 0.1° | 0.1° |
| C18 | C16 | N14 | O17 | 179.6° | 179.9° |
| C18 | C16 | N14 | C15 | 179.7° | 179.9° |
| C16 | N14 | C15 | H14 | 179.1° | 180.0° |
| C16 | N14 | C15 | H15 | 59.1° | 60.0° |
| C16 | N14 | C15 | H16 | 60.9° | 60.0° |
| C15 | N14 | C16 | O17 | 0.7° | 0.0° |
| N14 | C15 | H14 | H15 | 120.0° | 120.0° |
| N14 | C15 | H14 | H16 | 120.0° | 119.9° |
| N14 | C15 | H15 | H16 | 120.0° | 120.0° |
| H1 | C01 | H2 | H3 | 120.0° | 120.0° |
| H4 | C03 | H5 | H6 | 120.0° | 120.1° |
| H7 | C04 | C05 | H9 | 70.8° | 60.0° |
| H7 | C04 | C05 | H10 | 48.4° | 180.0° |
| H8 | C04 | C05 | H9 | 169.6° | 180.0° |
| H8 | C04 | C05 | H10 | 71.3° | 60.1° |
| H11 | C07 | C08 | H12 | 0.0° | 0.1° |
| H14 | C15 | H15 | H16 | 120.0° | 120.1° |
| H17 | C20 | C21 | H18 | 0.1° | 0.0° |
