Y5V
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O15 | C14 | doub | 1.22Å | 1.18Å | |
| O13 | C12 | sing | 1.36Å | 1.40Å | |
| C14 | C12 | sing | 1.47Å | 1.49Å | |
| C14 | N16 | sing | 1.35Å | 1.45Å | |
| C12 | C11 | doub | 1.39Å | 1.49Å | |
| N16 | C17 | sing | 1.36Å | 1.48Å | |
| O10 | C09 | doub | 1.22Å | 1.18Å | |
| C11 | C09 | sing | 1.48Å | 1.52Å | |
| C11 | N18 | sing | 1.34Å | 1.45Å | |
| C17 | N18 | doub | 1.31Å | 1.48Å | |
| C17 | C19 | sing | 1.48Å | 1.53Å | |
| C09 | N08 | sing | 1.35Å | 1.45Å | |
| C20 | C19 | doub | 1.40Å | 1.38Å | Aromatic |
| C20 | C21 | sing | 1.38Å | 1.39Å | Aromatic |
| C19 | C24 | sing | 1.40Å | 1.39Å | Aromatic |
| C21 | C22 | doub | 1.38Å | 1.39Å | Aromatic |
| C24 | C25 | sing | 1.51Å | 1.53Å | |
| C24 | C23 | doub | 1.38Å | 1.38Å | Aromatic |
| N08 | C07 | sing | 1.47Å | 1.45Å | |
| C22 | C23 | sing | 1.38Å | 1.38Å | Aromatic |
| C07 | C06 | sing | 1.53Å | 1.53Å | |
| C06 | C05 | sing | 1.51Å | 1.53Å | |
| C04 | C05 | doub | 1.38Å | 1.39Å | Aromatic |
| C04 | C03 | sing | 1.39Å | 1.39Å | Aromatic |
| C05 | C26 | sing | 1.38Å | 1.39Å | Aromatic |
| C01 | O02 | sing | 1.43Å | 1.40Å | |
| O02 | C03 | sing | 1.36Å | 1.40Å | |
| C03 | C28 | doub | 1.39Å | 1.39Å | Aromatic |
| C26 | C27 | doub | 1.38Å | 1.39Å | Aromatic |
| C28 | C27 | sing | 1.39Å | 1.39Å | Aromatic |
| C28 | O29 | sing | 1.36Å | 1.40Å | |
| C21 | H1 | sing | 1.08Å | 1.08Å | |
| C20 | H2 | sing | 1.08Å | 1.08Å | |
| C22 | H3 | sing | 1.08Å | 1.08Å | |
| C23 | H4 | sing | 1.08Å | 1.08Å | |
| C01 | H5 | sing | 1.09Å | 1.10Å | |
| C01 | H6 | sing | 1.09Å | 1.10Å | |
| C01 | H7 | sing | 1.09Å | 1.10Å | |
| C04 | H8 | sing | 1.08Å | 1.08Å | |
| C06 | H9 | sing | 1.09Å | 1.10Å | |
| C06 | H10 | sing | 1.09Å | 1.10Å | |
| C07 | H11 | sing | 1.09Å | 1.10Å | |
| C07 | H12 | sing | 1.09Å | 1.10Å | |
| C25 | H13 | sing | 1.09Å | 1.10Å | |
| C25 | H14 | sing | 1.09Å | 1.10Å | |
| C25 | H15 | sing | 1.09Å | 1.10Å | |
| C26 | H16 | sing | 1.08Å | 1.08Å | |
| C27 | H17 | sing | 1.08Å | 1.08Å | |
| N08 | H18 | sing | 0.97Å | 1.00Å | |
| N16 | H19 | sing | 0.97Å | 1.00Å | |
| O13 | H20 | sing | 0.97Å | 0.95Å | |
| O29 | H21 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O15 | C14 | C12 | 120.3° | 121.0° |
| O15 | C14 | N16 | 119.6° | 121.0° |
| O13 | C12 | C14 | 120.3° | 121.0° |
| O13 | C12 | C11 | 120.3° | 121.0° |
| C12 | O13 | H20 | 109.5° | 114.0° |
| C12 | C14 | N16 | 120.2° | 118.0° |
| C14 | C12 | C11 | 119.5° | 117.9° |
| C14 | N16 | C17 | 120.0° | 120.0° |
| C14 | N16 | H19 | 120.0° | 120.0° |
| C12 | C11 | C09 | 120.6° | 120.2° |
| C12 | C11 | N18 | 120.2° | 119.6° |
| N16 | C17 | N18 | 120.0° | 122.3° |
| N16 | C17 | C19 | 119.9° | 118.8° |
| C17 | N16 | H19 | 120.0° | 120.0° |
| O10 | C09 | C11 | 120.6° | 119.9° |
| O10 | C09 | N08 | 120.2° | 120.0° |
| C09 | C11 | N18 | 119.2° | 120.1° |
| C11 | C09 | N08 | 119.2° | 120.0° |
| C11 | N18 | C17 | 120.1° | 122.1° |
| N18 | C17 | C19 | 120.1° | 118.9° |
| C17 | C19 | C20 | 120.4° | 120.2° |
| C17 | C19 | C24 | 119.5° | 120.1° |
| C09 | N08 | C07 | 119.2° | 120.0° |
| C09 | N08 | H18 | 120.4° | 120.0° |
| C19 | C20 | C21 | 119.9° | 119.8° |
| C20 | C19 | C24 | 120.1° | 119.7° |
| C19 | C20 | H2 | 120.1° | 120.1° |
| C20 | C21 | C22 | 120.0° | 120.2° |
| C20 | C21 | H1 | 120.0° | 119.9° |
| C21 | C20 | H2 | 120.1° | 120.1° |
| C19 | C24 | C25 | 119.8° | 120.1° |
| C19 | C24 | C23 | 120.1° | 119.9° |
| C21 | C22 | C23 | 120.0° | 120.3° |
| C22 | C21 | H1 | 120.0° | 119.9° |
| C21 | C22 | H3 | 120.0° | 119.9° |
| C25 | C24 | C23 | 120.1° | 120.0° |
| C24 | C25 | H13 | 109.5° | 109.5° |
| C24 | C25 | H14 | 109.5° | 109.5° |
| C24 | C25 | H15 | 109.4° | 109.4° |
| C24 | C23 | C22 | 119.9° | 120.1° |
| C24 | C23 | H4 | 120.1° | 119.9° |
| N08 | C07 | C06 | 110.3° | 109.5° |
| N08 | C07 | H11 | 109.3° | 109.5° |
| N08 | C07 | H12 | 109.3° | 109.5° |
| C07 | N08 | H18 | 120.4° | 119.9° |
| C23 | C22 | H3 | 120.0° | 119.8° |
| C22 | C23 | H4 | 120.0° | 119.9° |
| C07 | C06 | C05 | 113.0° | 109.5° |
| C07 | C06 | H9 | 108.6° | 109.5° |
| C07 | C06 | H10 | 108.6° | 109.5° |
| C06 | C07 | H11 | 109.3° | 109.5° |
| C06 | C07 | H12 | 109.3° | 109.5° |
| C06 | C05 | C04 | 120.2° | 120.0° |
| C06 | C05 | C26 | 119.7° | 119.9° |
| C05 | C06 | H9 | 108.6° | 109.5° |
| C05 | C06 | H10 | 108.6° | 109.5° |
| C05 | C04 | C03 | 120.0° | 120.0° |
| C04 | C05 | C26 | 120.0° | 120.1° |
| C05 | C04 | H8 | 120.0° | 120.0° |
| C04 | C03 | O02 | 120.0° | 120.1° |
| C04 | C03 | C28 | 120.0° | 119.9° |
| C03 | C04 | H8 | 120.0° | 120.0° |
| C05 | C26 | C27 | 120.0° | 120.2° |
| C05 | C26 | H16 | 120.0° | 119.9° |
| C01 | O02 | C03 | 114.1° | 117.0° |
| O02 | C01 | H5 | 109.5° | 109.5° |
| O02 | C01 | H6 | 109.5° | 109.5° |
| O02 | C01 | H7 | 109.4° | 109.4° |
| O02 | C03 | C28 | 120.0° | 120.1° |
| C03 | C28 | C27 | 120.0° | 119.8° |
| C03 | C28 | O29 | 120.0° | 120.1° |
| C26 | C27 | C28 | 120.0° | 120.0° |
| C27 | C26 | H16 | 120.0° | 119.9° |
| C26 | C27 | H17 | 120.0° | 120.0° |
| C27 | C28 | O29 | 120.0° | 120.1° |
| C28 | C27 | H17 | 120.0° | 120.0° |
| C28 | O29 | H21 | 109.5° | 113.9° |
| H5 | C01 | H6 | 109.5° | 109.5° |
| H5 | C01 | H7 | 109.5° | 109.4° |
| H6 | C01 | H7 | 109.5° | 109.5° |
| H9 | C06 | H10 | 109.4° | 109.5° |
| H11 | C07 | H12 | 109.4° | 109.5° |
| H13 | C25 | H14 | 109.5° | 109.5° |
| H13 | C25 | H15 | 109.5° | 109.5° |
| H14 | C25 | H15 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O15 | C14 | C12 | O13 | 0.0° | 0.3° |
| O15 | C14 | C12 | N16 | 180.0° | 179.8° |
| O15 | C14 | C12 | C11 | 179.8° | 179.9° |
| O15 | C14 | N16 | C17 | 179.9° | 179.8° |
| O15 | C14 | N16 | H19 | 0.1° | 0.2° |
| O13 | C12 | C14 | C11 | 179.8° | 179.7° |
| O13 | C12 | C14 | N16 | 180.0° | 179.9° |
| O13 | C12 | C11 | C09 | 0.3° | 0.4° |
| O13 | C12 | C11 | N18 | 179.9° | 179.8° |
| C12 | C14 | N16 | C17 | 0.1° | 0.0° |
| C14 | C12 | C11 | C09 | 179.9° | 180.0° |
| C14 | C12 | C11 | N18 | 0.3° | 0.5° |
| C12 | C14 | N16 | H19 | 179.9° | 180.0° |
| C14 | C12 | O13 | H20 | 0.0° | 0.0° |
| N16 | C14 | C12 | C11 | 0.2° | 0.2° |
| C14 | N16 | C17 | H19 | 180.0° | 180.0° |
| C14 | N16 | C17 | N18 | 0.1° | 0.0° |
| C14 | N16 | C17 | C19 | 179.8° | 179.7° |
| C12 | C11 | C09 | O10 | 44.2° | 0.1° |
| C12 | C11 | C09 | N18 | 179.6° | 179.5° |
| C12 | C11 | N18 | C17 | 0.3° | 0.5° |
| C12 | C11 | C09 | N08 | 136.0° | 180.0° |
| C11 | C12 | O13 | H20 | 179.8° | 179.7° |
| N16 | C17 | N18 | C11 | 0.2° | 0.2° |
| N16 | C17 | N18 | C19 | 179.8° | 179.7° |
| N16 | C17 | C19 | C20 | 98.5° | 5.7° |
| N16 | C17 | C19 | C24 | 81.5° | 174.3° |
| O10 | C09 | C11 | N08 | 179.7° | 180.0° |
| O10 | C09 | C11 | N18 | 136.2° | 179.5° |
| O10 | C09 | N08 | C07 | 0.2° | 0.0° |
| O10 | C09 | N08 | H18 | 179.8° | 180.0° |
| C09 | C11 | N18 | C17 | 179.9° | 180.0° |
| C11 | C09 | N08 | C07 | 180.0° | 180.0° |
| C11 | C09 | N08 | H18 | 0.0° | 0.1° |
| C11 | N18 | C17 | C19 | 180.0° | 179.9° |
| N18 | C11 | C09 | N08 | 43.6° | 0.5° |
| N18 | C17 | C19 | C20 | 81.8° | 174.0° |
| N18 | C17 | C19 | C24 | 98.2° | 6.0° |
| N18 | C17 | N16 | H19 | 179.9° | 180.0° |
| C17 | C19 | C20 | C24 | 180.0° | 180.0° |
| C17 | C19 | C20 | C21 | 180.0° | 180.0° |
| C17 | C19 | C24 | C25 | 0.0° | 0.0° |
| C17 | C19 | C24 | C23 | 180.0° | 179.8° |
| C17 | C19 | C20 | H2 | 0.0° | 0.0° |
| C19 | C17 | N16 | H19 | 0.1° | 0.3° |
| C09 | N08 | C07 | H18 | 180.0° | 180.0° |
| C09 | N08 | C07 | C06 | 104.3° | 180.0° |
| C09 | N08 | C07 | H11 | 135.6° | 60.0° |
| C09 | N08 | C07 | H12 | 15.8° | 60.0° |
| C19 | C20 | C21 | H2 | 180.0° | 179.9° |
| C19 | C20 | C21 | C22 | 0.0° | 0.0° |
| C20 | C19 | C24 | C25 | 180.0° | 180.0° |
| C20 | C19 | C24 | C23 | 0.0° | 0.3° |
| C19 | C20 | C21 | H1 | 180.0° | 179.7° |
| C21 | C20 | C19 | C24 | 0.0° | 0.0° |
| C20 | C21 | C22 | H1 | 180.0° | 179.7° |
| C20 | C21 | C22 | C23 | 0.1° | 0.2° |
| C20 | C21 | C22 | H3 | 179.9° | 179.7° |
| C19 | C24 | C25 | C23 | 180.0° | 179.7° |
| C19 | C24 | C23 | C22 | 0.1° | 0.5° |
| C24 | C19 | C20 | H2 | 180.0° | 180.0° |
| C19 | C24 | C23 | H4 | 179.9° | 180.0° |
| C19 | C24 | C25 | H13 | 90.0° | 82.8° |
| C19 | C24 | C25 | H14 | 150.0° | 157.1° |
| C19 | C24 | C25 | H15 | 30.0° | 37.1° |
| C21 | C22 | C23 | C24 | 0.1° | 0.5° |
| C21 | C22 | C23 | H3 | 180.0° | 179.9° |
| C22 | C21 | C20 | H2 | 180.0° | 180.0° |
| C21 | C22 | C23 | H4 | 179.9° | 180.0° |
| C25 | C24 | C23 | C22 | 180.0° | 179.8° |
| C25 | C24 | C23 | H4 | 0.0° | 0.3° |
| C24 | C25 | H13 | H14 | 120.0° | 120.0° |
| C24 | C25 | H13 | H15 | 120.0° | 119.9° |
| C24 | C25 | H14 | H15 | 119.9° | 120.0° |
| C24 | C23 | C22 | H4 | 180.0° | 179.5° |
| C24 | C23 | C22 | H3 | 179.9° | 179.4° |
| C23 | C24 | C25 | H13 | 90.0° | 97.5° |
| C23 | C24 | C25 | H14 | 30.0° | 22.6° |
| C23 | C24 | C25 | H15 | 150.0° | 142.6° |
| N08 | C07 | C06 | H11 | 120.1° | 120.0° |
| N08 | C07 | C06 | H12 | 120.1° | 120.0° |
| N08 | C07 | C06 | C05 | 35.4° | 180.0° |
| N08 | C07 | C06 | H9 | 155.9° | 60.0° |
| N08 | C07 | C06 | H10 | 85.1° | 60.0° |
| N08 | C07 | H11 | H12 | 119.6° | 120.0° |
| C23 | C22 | C21 | H1 | 179.9° | 179.9° |
| C07 | C06 | C05 | H9 | 120.5° | 120.0° |
| C07 | C06 | C05 | H10 | 120.5° | 120.0° |
| C07 | C06 | C05 | C04 | 113.3° | 90.0° |
| C07 | C06 | C05 | C26 | 66.7° | 90.0° |
| C07 | C06 | H9 | H10 | 118.4° | 120.0° |
| C06 | C07 | H11 | H12 | 119.6° | 120.0° |
| C06 | C07 | N08 | H18 | 75.7° | 0.0° |
| C06 | C05 | C04 | C26 | 180.0° | 179.9° |
| C06 | C05 | C04 | C03 | 179.7° | 180.0° |
| C06 | C05 | C26 | C27 | 180.0° | 180.0° |
| C06 | C05 | C04 | H8 | 0.3° | 0.0° |
| C05 | C06 | H9 | H10 | 118.4° | 120.0° |
| C05 | C06 | C07 | H11 | 84.8° | 60.0° |
| C05 | C06 | C07 | H12 | 155.5° | 60.0° |
| C06 | C05 | C26 | H16 | 0.0° | 0.1° |
| C05 | C04 | C03 | H8 | 180.0° | 179.9° |
| C05 | C04 | C03 | O02 | 180.0° | 179.8° |
| C05 | C04 | C03 | C28 | 0.4° | 0.0° |
| C04 | C05 | C26 | C27 | 0.0° | 0.1° |
| C04 | C05 | C06 | H9 | 126.2° | 150.0° |
| C04 | C05 | C06 | H10 | 7.2° | 30.0° |
| C04 | C05 | C26 | H16 | 180.0° | 180.0° |
| C03 | C04 | C05 | C26 | 0.3° | 0.1° |
| C04 | C03 | O02 | C01 | 51.8° | 0.3° |
| C04 | C03 | O02 | C28 | 179.6° | 179.7° |
| C04 | C03 | C28 | C27 | 0.2° | 0.0° |
| C04 | C03 | C28 | O29 | 179.8° | 180.0° |
| C05 | C26 | C27 | H16 | 180.0° | 180.0° |
| C05 | C26 | C27 | C28 | 0.1° | 0.0° |
| C26 | C05 | C04 | H8 | 179.7° | 180.0° |
| C26 | C05 | C06 | H9 | 53.8° | 30.1° |
| C26 | C05 | C06 | H10 | 172.8° | 150.1° |
| C05 | C26 | C27 | H17 | 179.9° | 180.0° |
| C01 | O02 | C03 | C28 | 128.6° | 180.0° |
| O02 | C01 | H5 | H6 | 120.0° | 120.1° |
| O02 | C01 | H5 | H7 | 120.0° | 119.9° |
| O02 | C01 | H6 | H7 | 120.0° | 120.0° |
| O02 | C03 | C28 | C27 | 179.9° | 179.7° |
| O02 | C03 | C28 | O29 | 0.2° | 0.2° |
| C03 | O02 | C01 | H5 | 180.0° | 60.1° |
| C03 | O02 | C01 | H6 | 60.0° | 60.0° |
| C03 | O02 | C01 | H7 | 60.0° | 179.9° |
| O02 | C03 | C04 | H8 | 0.0° | 0.3° |
| C03 | C28 | C27 | C26 | 0.0° | 0.0° |
| C03 | C28 | C27 | O29 | 179.9° | 180.0° |
| C28 | C03 | C04 | H8 | 179.6° | 180.0° |
| C03 | C28 | C27 | H17 | 180.0° | 180.0° |
| C03 | C28 | O29 | H21 | 180.0° | 90.0° |
| C26 | C27 | C28 | H17 | 180.0° | 180.0° |
| C26 | C27 | C28 | O29 | 180.0° | 180.0° |
| C28 | C27 | C26 | H16 | 179.9° | 180.0° |
| C27 | C28 | O29 | H21 | 0.0° | 90.0° |
| O29 | C28 | C27 | H17 | 0.1° | 0.0° |
| H1 | C21 | C20 | H2 | 0.0° | 0.3° |
| H1 | C21 | C22 | H3 | 0.1° | 0.0° |
| H3 | C22 | C23 | H4 | 0.1° | 0.0° |
| H5 | C01 | H6 | H7 | 120.0° | 119.9° |
| H9 | C06 | C07 | H11 | 35.8° | 179.9° |
| H9 | C06 | C07 | H12 | 83.9° | 60.0° |
| H10 | C06 | C07 | H11 | 154.7° | 60.0° |
| H10 | C06 | C07 | H12 | 35.0° | NaN° |
| H11 | C07 | N08 | H18 | 44.4° | 120.0° |
| H12 | C07 | N08 | H18 | 164.2° | 120.0° |
| H13 | C25 | H14 | H15 | 120.1° | 120.0° |
| H16 | C26 | C27 | H17 | 0.1° | 0.1° |
