5YG
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N17 | C16 | doub | 1.32Å | 1.33Å | Aromatic |
| N17 | C18 | sing | 1.32Å | 1.34Å | Aromatic |
| C16 | C15 | sing | 1.38Å | 1.39Å | Aromatic |
| C18 | C19 | doub | 1.38Å | 1.39Å | Aromatic |
| C15 | C14 | doub | 1.39Å | 1.38Å | Aromatic |
| C19 | C14 | sing | 1.39Å | 1.38Å | Aromatic |
| C14 | C13 | sing | 1.51Å | 1.51Å | |
| C20 | C12 | doub | 1.38Å | 1.40Å | Aromatic |
| C20 | C21 | sing | 1.38Å | 1.40Å | Aromatic |
| C13 | C12 | sing | 1.51Å | 1.52Å | |
| C12 | C11 | sing | 1.38Å | 1.39Å | Aromatic |
| C21 | C09 | doub | 1.39Å | 1.40Å | Aromatic |
| C11 | C10 | doub | 1.38Å | 1.37Å | Aromatic |
| C09 | C10 | sing | 1.39Å | 1.37Å | Aromatic |
| C09 | N08 | sing | 1.40Å | 1.46Å | |
| N08 | C07 | sing | 1.46Å | 1.47Å | |
| C07 | C06 | sing | 1.51Å | 1.53Å | |
| C06 | C05 | doub | 1.38Å | 1.39Å | Aromatic |
| C06 | C22 | sing | 1.38Å | 1.40Å | Aromatic |
| C05 | C04 | sing | 1.38Å | 1.39Å | Aromatic |
| C22 | C23 | doub | 1.38Å | 1.39Å | Aromatic |
| C04 | C03 | doub | 1.39Å | 1.39Å | Aromatic |
| C23 | C03 | sing | 1.39Å | 1.39Å | Aromatic |
| C03 | O02 | sing | 1.36Å | 1.41Å | |
| O02 | C01 | sing | 1.43Å | 1.40Å | |
| C01 | H1 | sing | 1.09Å | 1.10Å | |
| C01 | H2 | sing | 1.09Å | 1.10Å | |
| C01 | H3 | sing | 1.09Å | 1.10Å | |
| C04 | H4 | sing | 1.08Å | 1.08Å | |
| C05 | H5 | sing | 1.08Å | 1.08Å | |
| C07 | H6 | sing | 1.09Å | 1.10Å | |
| C07 | H7 | sing | 1.09Å | 1.10Å | |
| C11 | H8 | sing | 1.08Å | 1.08Å | |
| C13 | H9 | sing | 1.09Å | 1.10Å | |
| C13 | H10 | sing | 1.09Å | 1.10Å | |
| C15 | H11 | sing | 1.08Å | 1.08Å | |
| C16 | H12 | sing | 1.08Å | 1.08Å | |
| C18 | H13 | sing | 1.08Å | 1.08Å | |
| C19 | H14 | sing | 1.08Å | 1.08Å | |
| C21 | H15 | sing | 1.08Å | 1.08Å | |
| C22 | H16 | sing | 1.08Å | 1.08Å | |
| C10 | H17 | sing | 1.08Å | 1.08Å | |
| C20 | H18 | sing | 1.08Å | 1.08Å | |
| C23 | H19 | sing | 1.08Å | 1.08Å | |
| N08 | H20 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C16 | N17 | C18 | 119.3° | 121.7° |
| N17 | C16 | C15 | 122.4° | 120.8° |
| N17 | C16 | H12 | 118.8° | 119.6° |
| N17 | C18 | C19 | 122.2° | 120.7° |
| N17 | C18 | H13 | 118.9° | 119.6° |
| C16 | C15 | C14 | 118.1° | 119.1° |
| C16 | C15 | H11 | 120.9° | 120.4° |
| C15 | C16 | H12 | 118.8° | 119.6° |
| C18 | C19 | C14 | 117.9° | 119.2° |
| C19 | C18 | H13 | 118.9° | 119.6° |
| C18 | C19 | H14 | 121.1° | 120.4° |
| C15 | C14 | C19 | 120.1° | 118.4° |
| C15 | C14 | C13 | 116.4° | 120.8° |
| C14 | C15 | H11 | 120.9° | 120.4° |
| C19 | C14 | C13 | 123.4° | 120.8° |
| C14 | C19 | H14 | 121.0° | 120.4° |
| C14 | C13 | C12 | 118.8° | 109.5° |
| C14 | C13 | H9 | 107.1° | 109.6° |
| C14 | C13 | H10 | 107.1° | 109.5° |
| C12 | C20 | C21 | 119.2° | 120.0° |
| C20 | C12 | C13 | 123.3° | 119.9° |
| C20 | C12 | C11 | 119.2° | 120.2° |
| C12 | C20 | H18 | 120.4° | 120.0° |
| C20 | C21 | C09 | 120.0° | 119.9° |
| C20 | C21 | H15 | 120.0° | 120.0° |
| C21 | C20 | H18 | 120.4° | 120.0° |
| C13 | C12 | C11 | 117.4° | 119.9° |
| C12 | C13 | H9 | 107.1° | 109.5° |
| C12 | C13 | H10 | 107.1° | 109.4° |
| C12 | C11 | C10 | 121.5° | 120.1° |
| C12 | C11 | H8 | 119.2° | 120.0° |
| C21 | C09 | C10 | 119.9° | 119.8° |
| C21 | C09 | N08 | 123.7° | 120.1° |
| C09 | C21 | H15 | 120.0° | 120.0° |
| C11 | C10 | C09 | 120.2° | 120.0° |
| C10 | C11 | H8 | 119.3° | 120.0° |
| C11 | C10 | H17 | 119.9° | 120.0° |
| C10 | C09 | N08 | 116.4° | 120.1° |
| C09 | C10 | H17 | 119.9° | 120.1° |
| C09 | N08 | C07 | 118.6° | 120.0° |
| C09 | N08 | H20 | 107.2° | 120.0° |
| N08 | C07 | C06 | 115.0° | 109.5° |
| N08 | C07 | H6 | 108.1° | 109.5° |
| N08 | C07 | H7 | 108.1° | 109.5° |
| C07 | N08 | H20 | 107.1° | 120.0° |
| C07 | C06 | C05 | 119.5° | 119.9° |
| C07 | C06 | C22 | 121.1° | 120.0° |
| C06 | C07 | H6 | 108.0° | 109.5° |
| C06 | C07 | H7 | 108.0° | 109.5° |
| C05 | C06 | C22 | 119.4° | 120.1° |
| C06 | C05 | C04 | 119.7° | 120.0° |
| C06 | C05 | H5 | 120.1° | 120.0° |
| C06 | C22 | C23 | 120.6° | 120.1° |
| C06 | C22 | H16 | 119.7° | 120.0° |
| C05 | C04 | C03 | 120.9° | 120.0° |
| C05 | C04 | H4 | 119.6° | 120.0° |
| C04 | C05 | H5 | 120.1° | 120.0° |
| C22 | C23 | C03 | 119.7° | 119.9° |
| C23 | C22 | H16 | 119.7° | 120.0° |
| C22 | C23 | H19 | 120.2° | 120.0° |
| C04 | C03 | C23 | 119.7° | 119.9° |
| C04 | C03 | O02 | 118.9° | 120.1° |
| C03 | C04 | H4 | 119.5° | 120.0° |
| C23 | C03 | O02 | 121.4° | 120.0° |
| C03 | C23 | H19 | 120.1° | 120.1° |
| C03 | O02 | C01 | 114.8° | 117.0° |
| O02 | C01 | H1 | 109.5° | 109.5° |
| O02 | C01 | H2 | 109.5° | 109.5° |
| O02 | C01 | H3 | 109.5° | 109.5° |
| H1 | C01 | H2 | 109.5° | 109.5° |
| H1 | C01 | H3 | 109.5° | 109.4° |
| H2 | C01 | H3 | 109.5° | 109.5° |
| H6 | C07 | H7 | 109.5° | 109.4° |
| H9 | C13 | H10 | 109.4° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N17 | C16 | C15 | H12 | 180.0° | 180.0° |
| C16 | N17 | C18 | C19 | 0.4° | 0.2° |
| N17 | C16 | C15 | C14 | 1.1° | 0.1° |
| N17 | C16 | C15 | H11 | 178.9° | 179.9° |
| C16 | N17 | C18 | H13 | 179.6° | 179.7° |
| C18 | N17 | C16 | C15 | 1.7° | 0.2° |
| N17 | C18 | C19 | H13 | 180.0° | 179.9° |
| N17 | C18 | C19 | C14 | 1.5° | 0.0° |
| C18 | N17 | C16 | H12 | 178.3° | 179.8° |
| N17 | C18 | C19 | H14 | 178.5° | 180.0° |
| C16 | C15 | C14 | H11 | 180.0° | 179.9° |
| C16 | C15 | C14 | C19 | 0.9° | 0.3° |
| C16 | C15 | C14 | C13 | 179.4° | 180.0° |
| C18 | C19 | C14 | C15 | 2.1° | 0.3° |
| C18 | C19 | C14 | H14 | 180.0° | 179.9° |
| C18 | C19 | C14 | C13 | 179.5° | 180.0° |
| C15 | C14 | C19 | C13 | 178.4° | 179.7° |
| C15 | C14 | C13 | C12 | 157.2° | 90.0° |
| C15 | C14 | C13 | H9 | 35.9° | 149.9° |
| C15 | C14 | C13 | H10 | 81.5° | 29.9° |
| C14 | C15 | C16 | H12 | 179.0° | 180.0° |
| C15 | C14 | C19 | H14 | 177.9° | 179.7° |
| C19 | C14 | C13 | C12 | 24.4° | 90.3° |
| C19 | C14 | C13 | H9 | 145.7° | 29.7° |
| C19 | C14 | C13 | H10 | 97.0° | 149.7° |
| C19 | C14 | C15 | H11 | 179.2° | 179.8° |
| C14 | C19 | C18 | H13 | 178.5° | 180.0° |
| C14 | C13 | C12 | C20 | 94.2° | 89.4° |
| C14 | C13 | C12 | H9 | 121.3° | 120.1° |
| C14 | C13 | C12 | H10 | 121.4° | 120.0° |
| C14 | C13 | C12 | C11 | 90.0° | 90.0° |
| C14 | C13 | H9 | H10 | 115.8° | 120.0° |
| C13 | C14 | C15 | H11 | 0.7° | 0.1° |
| C13 | C14 | C19 | H14 | 0.5° | 0.1° |
| C12 | C20 | C21 | H18 | 180.0° | 179.8° |
| C20 | C12 | C13 | C11 | 175.8° | 179.4° |
| C12 | C20 | C21 | C09 | 1.0° | 0.0° |
| C20 | C12 | C11 | C10 | 0.6° | 0.6° |
| C20 | C12 | C11 | H8 | 179.4° | 180.0° |
| C20 | C12 | C13 | H9 | 27.1° | 150.5° |
| C20 | C12 | C13 | H10 | 144.4° | 30.6° |
| C12 | C20 | C21 | H15 | 179.0° | 180.0° |
| C21 | C20 | C12 | C13 | 175.3° | 179.7° |
| C21 | C20 | C12 | C11 | 0.4° | 0.3° |
| C20 | C21 | C09 | H15 | 180.0° | 180.0° |
| C20 | C21 | C09 | C10 | 0.7° | 0.1° |
| C20 | C21 | C09 | N08 | 178.7° | 179.7° |
| C13 | C12 | C11 | C10 | 176.6° | 180.0° |
| C13 | C12 | C11 | H8 | 3.5° | 0.6° |
| C12 | C13 | H9 | H10 | 115.7° | 119.9° |
| C13 | C12 | C20 | H18 | 4.7° | 0.5° |
| C12 | C11 | C10 | H8 | 180.0° | 179.4° |
| C12 | C11 | C10 | C09 | 1.0° | 0.5° |
| C11 | C12 | C13 | H9 | 148.6° | 30.1° |
| C11 | C12 | C13 | H10 | 31.3° | 150.0° |
| C12 | C11 | C10 | H17 | 179.0° | 179.5° |
| C11 | C12 | C20 | H18 | 179.6° | 180.0° |
| C21 | C09 | C10 | C11 | 0.3° | 0.2° |
| C21 | C09 | C10 | N08 | 178.2° | 179.8° |
| C21 | C09 | N08 | C07 | 151.6° | 0.2° |
| C21 | C09 | C10 | H17 | 179.7° | 179.8° |
| C09 | C21 | C20 | H18 | 179.0° | 179.7° |
| C21 | C09 | N08 | H20 | 87.1° | 179.8° |
| C11 | C10 | C09 | H17 | 180.0° | 180.0° |
| C11 | C10 | C09 | N08 | 177.9° | 180.0° |
| C10 | C09 | N08 | C07 | 26.5° | 180.0° |
| C09 | C10 | C11 | H8 | 179.1° | 180.0° |
| C10 | C09 | C21 | H15 | 179.3° | 180.0° |
| C10 | C09 | N08 | H20 | 94.8° | 0.0° |
| C09 | N08 | C07 | H20 | 121.3° | 180.0° |
| C09 | N08 | C07 | C06 | 145.1° | 180.0° |
| C09 | N08 | C07 | H6 | 24.3° | 60.0° |
| C09 | N08 | C07 | H7 | 94.1° | 59.9° |
| N08 | C09 | C21 | H15 | 1.3° | 0.2° |
| N08 | C09 | C10 | H17 | 2.1° | 0.0° |
| N08 | C07 | C06 | H6 | 120.8° | 120.0° |
| N08 | C07 | C06 | H7 | 120.8° | 120.0° |
| N08 | C07 | C06 | C05 | 92.0° | 90.0° |
| N08 | C07 | C06 | C22 | 88.8° | 90.0° |
| N08 | C07 | H6 | H7 | 117.5° | 119.9° |
| C07 | C06 | C05 | C22 | 179.3° | 180.0° |
| C07 | C06 | C05 | C04 | 179.3° | 180.0° |
| C07 | C06 | C22 | C23 | 179.1° | 180.0° |
| C07 | C06 | C05 | H5 | 0.7° | 0.0° |
| C06 | C07 | H6 | H7 | 117.4° | 120.0° |
| C07 | C06 | C22 | H16 | 0.9° | 0.0° |
| C06 | C07 | N08 | H20 | 93.6° | 0.0° |
| C06 | C05 | C04 | H5 | 180.0° | 180.0° |
| C05 | C06 | C22 | C23 | 0.1° | 0.0° |
| C06 | C05 | C04 | C03 | 0.5° | 0.0° |
| C06 | C05 | C04 | H4 | 179.5° | 179.7° |
| C05 | C06 | C07 | H6 | 147.2° | 149.9° |
| C05 | C06 | C07 | H7 | 28.9° | 30.0° |
| C05 | C06 | C22 | H16 | 179.9° | 180.0° |
| C22 | C06 | C05 | C04 | 0.0° | 0.0° |
| C06 | C22 | C23 | H16 | 180.0° | 180.0° |
| C06 | C22 | C23 | C03 | 0.8° | 0.1° |
| C22 | C06 | C05 | H5 | 180.0° | 180.0° |
| C22 | C06 | C07 | H6 | 32.1° | 30.0° |
| C22 | C06 | C07 | H7 | 150.4° | 150.0° |
| C06 | C22 | C23 | H19 | 179.2° | 180.0° |
| C05 | C04 | C03 | H4 | 180.0° | 179.7° |
| C05 | C04 | C03 | C23 | 1.2° | 0.0° |
| C05 | C04 | C03 | O02 | 179.6° | 179.7° |
| C22 | C23 | C03 | C04 | 1.3° | 0.1° |
| C22 | C23 | C03 | H19 | 180.0° | 180.0° |
| C22 | C23 | C03 | O02 | 179.4° | 179.7° |
| C04 | C03 | C23 | O02 | 179.3° | 179.8° |
| C04 | C03 | O02 | C01 | 167.6° | 180.0° |
| C03 | C04 | C05 | H5 | 179.5° | 180.0° |
| C04 | C03 | C23 | H19 | 178.7° | 180.0° |
| C23 | C03 | O02 | C01 | 13.2° | 0.2° |
| C23 | C03 | C04 | H4 | 178.8° | 179.7° |
| C03 | C23 | C22 | H16 | 179.2° | 180.0° |
| C03 | O02 | C01 | H1 | 180.0° | 60.1° |
| C03 | O02 | C01 | H2 | 60.0° | 60.0° |
| C03 | O02 | C01 | H3 | 60.0° | 180.0° |
| O02 | C03 | C04 | H4 | 0.4° | 0.0° |
| O02 | C03 | C23 | H19 | 0.6° | 0.2° |
| O02 | C01 | H1 | H2 | 120.0° | 120.1° |
| O02 | C01 | H1 | H3 | 120.0° | 120.0° |
| O02 | C01 | H2 | H3 | 120.0° | 120.1° |
| H1 | C01 | H2 | H3 | 120.0° | 119.9° |
| H4 | C04 | C05 | H5 | 0.5° | 0.3° |
| H6 | C07 | N08 | H20 | 145.6° | 120.0° |
| H7 | C07 | N08 | H20 | 27.2° | 120.1° |
| H8 | C11 | C10 | H17 | 0.9° | 0.0° |
| H11 | C15 | C16 | H12 | 1.1° | 0.1° |
| H13 | C18 | C19 | H14 | 1.5° | 0.1° |
| H15 | C21 | C20 | H18 | 1.0° | 0.2° |
| H16 | C22 | C23 | H19 | 0.8° | 0.0° |
