7QC
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N13 | C12 | sing | 1.47Å | 1.50Å | |
| C12 | C11 | sing | 1.51Å | 1.57Å | |
| C11 | C14 | doub | 1.38Å | 1.41Å | Aromatic |
| C11 | C10 | sing | 1.38Å | 1.41Å | Aromatic |
| C17 | O16 | sing | 1.43Å | 1.42Å | |
| C14 | C15 | sing | 1.39Å | 1.40Å | Aromatic |
| C10 | C07 | doub | 1.38Å | 1.40Å | Aromatic |
| C15 | O16 | sing | 1.36Å | 1.42Å | |
| C15 | C06 | doub | 1.40Å | 1.43Å | Aromatic |
| C07 | C06 | sing | 1.40Å | 1.41Å | Aromatic |
| C07 | O08 | sing | 1.36Å | 1.43Å | |
| C06 | C05 | sing | 1.48Å | 1.55Å | |
| O08 | C09 | sing | 1.43Å | 1.44Å | |
| N04 | C05 | sing | 1.35Å | 1.32Å | Aromatic |
| N04 | C03 | doub | 1.30Å | 1.37Å | Aromatic |
| C05 | C18 | doub | 1.38Å | 1.41Å | Aromatic |
| C03 | N02 | sing | 1.35Å | 1.34Å | Aromatic |
| C18 | C19 | sing | 1.47Å | 1.56Å | |
| C18 | N02 | sing | 1.38Å | 1.33Å | Aromatic |
| C26 | C19 | doub | 1.40Å | 1.39Å | Aromatic |
| C26 | C25 | sing | 1.37Å | 1.39Å | Aromatic |
| C19 | C20 | sing | 1.40Å | 1.39Å | Aromatic |
| N02 | C01 | sing | 1.46Å | 1.45Å | |
| C25 | C22 | doub | 1.40Å | 1.39Å | Aromatic |
| C20 | C21 | doub | 1.37Å | 1.39Å | Aromatic |
| C22 | C21 | sing | 1.40Å | 1.39Å | Aromatic |
| C22 | C23 | sing | 1.43Å | 1.52Å | |
| C23 | N24 | trip | 1.14Å | 1.13Å | |
| C10 | H1 | sing | 1.08Å | 1.08Å | |
| C17 | H2 | sing | 1.09Å | 1.10Å | |
| C17 | H3 | sing | 1.09Å | 1.10Å | |
| C17 | H4 | sing | 1.09Å | 1.10Å | |
| C20 | H5 | sing | 1.08Å | 1.08Å | |
| C21 | H6 | sing | 1.08Å | 1.08Å | |
| C26 | H7 | sing | 1.08Å | 1.08Å | |
| C01 | H8 | sing | 1.09Å | 1.10Å | |
| C01 | H9 | sing | 1.09Å | 1.10Å | |
| C01 | H10 | sing | 1.09Å | 1.10Å | |
| C03 | H11 | sing | 1.08Å | 1.08Å | |
| C09 | H12 | sing | 1.09Å | 1.10Å | |
| C09 | H13 | sing | 1.09Å | 1.10Å | |
| C09 | H14 | sing | 1.09Å | 1.10Å | |
| C12 | H15 | sing | 1.09Å | 1.10Å | |
| C12 | H16 | sing | 1.09Å | 1.10Å | |
| C14 | H17 | sing | 1.08Å | 1.08Å | |
| C25 | H18 | sing | 1.08Å | 1.08Å | |
| N13 | H19 | sing | 1.01Å | 1.00Å | |
| N13 | H20 | sing | 1.01Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N13 | C12 | C11 | 120.2° | 109.5° |
| N13 | C12 | H15 | 106.8° | 109.5° |
| N13 | C12 | H16 | 106.8° | 109.5° |
| C12 | N13 | H19 | 109.5° | 111.0° |
| C12 | N13 | H20 | 109.4° | 111.0° |
| C12 | C11 | C14 | 123.9° | 119.8° |
| C12 | C11 | C10 | 118.4° | 119.8° |
| C11 | C12 | H15 | 106.7° | 109.4° |
| C11 | C12 | H16 | 106.7° | 109.4° |
| C14 | C11 | C10 | 117.7° | 120.4° |
| C11 | C14 | C15 | 121.1° | 120.2° |
| C11 | C14 | H17 | 119.5° | 119.9° |
| C11 | C10 | C07 | 122.6° | 120.2° |
| C11 | C10 | H1 | 118.7° | 119.9° |
| C17 | O16 | C15 | 114.5° | 117.0° |
| O16 | C17 | H2 | 109.5° | 109.5° |
| O16 | C17 | H3 | 109.4° | 109.5° |
| O16 | C17 | H4 | 109.5° | 109.5° |
| C14 | C15 | O16 | 117.6° | 120.1° |
| C14 | C15 | C06 | 120.5° | 119.8° |
| C15 | C14 | H17 | 119.5° | 119.9° |
| C10 | C07 | C06 | 119.3° | 119.8° |
| C10 | C07 | O08 | 119.4° | 120.1° |
| C07 | C10 | H1 | 118.7° | 119.9° |
| O16 | C15 | C06 | 121.9° | 120.1° |
| C15 | C06 | C07 | 118.8° | 119.6° |
| C15 | C06 | C05 | 122.4° | 120.2° |
| C06 | C07 | O08 | 121.3° | 120.1° |
| C07 | C06 | C05 | 118.7° | 120.2° |
| C07 | O08 | C09 | 114.6° | 117.0° |
| C06 | C05 | N04 | 121.7° | 126.3° |
| C06 | C05 | C18 | 130.8° | 126.4° |
| O08 | C09 | H12 | 109.5° | 109.5° |
| O08 | C09 | H13 | 109.5° | 109.5° |
| O08 | C09 | H14 | 109.5° | 109.4° |
| C05 | N04 | C03 | 107.8° | 109.6° |
| N04 | C05 | C18 | 107.6° | 107.3° |
| N04 | C03 | N02 | 108.7° | 109.6° |
| N04 | C03 | H11 | 125.6° | 125.2° |
| C05 | C18 | C19 | 126.9° | 126.9° |
| C05 | C18 | N02 | 107.2° | 106.1° |
| C03 | N02 | C18 | 108.6° | 107.3° |
| C03 | N02 | C01 | 125.4° | 126.3° |
| N02 | C03 | H11 | 125.6° | 125.2° |
| C19 | C18 | N02 | 125.8° | 126.9° |
| C18 | C19 | C26 | 121.0° | 120.0° |
| C18 | C19 | C20 | 119.7° | 120.0° |
| C18 | N02 | C01 | 125.9° | 126.4° |
| C19 | C26 | C25 | 120.7° | 120.0° |
| C26 | C19 | C20 | 119.2° | 120.0° |
| C19 | C26 | H7 | 119.6° | 120.0° |
| C26 | C25 | C22 | 119.3° | 120.0° |
| C25 | C26 | H7 | 119.6° | 120.0° |
| C26 | C25 | H18 | 120.4° | 120.1° |
| C19 | C20 | C21 | 120.5° | 120.0° |
| C19 | C20 | H5 | 119.7° | 120.0° |
| N02 | C01 | H8 | 109.5° | 109.5° |
| N02 | C01 | H9 | 109.5° | 109.5° |
| N02 | C01 | H10 | 109.5° | 109.5° |
| C25 | C22 | C21 | 120.5° | 120.0° |
| C25 | C22 | C23 | 120.5° | 120.0° |
| C22 | C25 | H18 | 120.3° | 120.0° |
| C20 | C21 | C22 | 119.8° | 120.0° |
| C21 | C20 | H5 | 119.8° | 120.0° |
| C20 | C21 | H6 | 120.1° | 120.0° |
| C21 | C22 | C23 | 119.0° | 120.0° |
| C22 | C21 | H6 | 120.1° | 120.0° |
| C22 | C23 | N24 | 179.5° | 180.0° |
| H2 | C17 | H3 | 109.5° | 109.5° |
| H2 | C17 | H4 | 109.4° | 109.4° |
| H3 | C17 | H4 | 109.5° | 109.4° |
| H8 | C01 | H9 | 109.5° | 109.5° |
| H8 | C01 | H10 | 109.5° | 109.5° |
| H9 | C01 | H10 | 109.4° | 109.4° |
| H12 | C09 | H13 | 109.5° | 109.5° |
| H12 | C09 | H14 | 109.4° | 109.4° |
| H13 | C09 | H14 | 109.5° | 109.5° |
| H15 | C12 | H16 | 109.4° | 109.5° |
| H19 | N13 | H20 | 109.5° | 111.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N13 | C12 | C11 | H15 | 121.5° | 120.0° |
| N13 | C12 | C11 | H16 | 121.5° | 120.0° |
| N13 | C12 | C11 | C14 | 12.9° | 90.0° |
| N13 | C12 | C11 | C10 | 166.2° | 90.0° |
| N13 | C12 | H15 | H16 | 115.2° | 120.1° |
| C12 | N13 | H19 | H20 | 120.0° | 123.9° |
| C12 | C11 | C14 | C10 | 179.1° | 180.0° |
| C12 | C11 | C14 | C15 | 179.6° | 180.0° |
| C12 | C11 | C10 | C07 | 179.7° | 180.0° |
| C12 | C11 | C10 | H1 | 0.3° | 0.2° |
| C11 | C12 | H15 | H16 | 115.1° | 119.9° |
| C12 | C11 | C14 | H17 | 0.5° | 0.1° |
| C11 | C12 | N13 | H19 | 180.0° | 56.1° |
| C11 | C12 | N13 | H20 | 60.0° | 180.0° |
| C11 | C14 | C15 | H17 | 180.0° | 180.0° |
| C14 | C11 | C10 | C07 | 1.1° | 0.0° |
| C11 | C14 | C15 | O16 | 179.2° | 179.7° |
| C11 | C14 | C15 | C06 | 0.5° | 0.3° |
| C14 | C11 | C10 | H1 | 178.8° | 179.7° |
| C14 | C11 | C12 | H15 | 108.6° | 150.0° |
| C14 | C11 | C12 | H16 | 134.4° | 30.0° |
| C10 | C11 | C14 | C15 | 0.5° | 0.0° |
| C11 | C10 | C07 | H1 | 180.0° | 179.7° |
| C11 | C10 | C07 | C06 | 1.8° | 0.3° |
| C11 | C10 | C07 | O08 | 179.1° | 179.8° |
| C10 | C11 | C12 | H15 | 72.3° | 30.0° |
| C10 | C11 | C12 | H16 | 44.6° | 150.0° |
| C10 | C11 | C14 | H17 | 179.5° | 180.0° |
| C17 | O16 | C15 | C14 | 44.7° | 0.5° |
| C17 | O16 | C15 | C06 | 135.0° | 180.0° |
| O16 | C17 | H2 | H3 | 120.0° | 120.1° |
| O16 | C17 | H2 | H4 | 120.0° | 120.0° |
| O16 | C17 | H3 | H4 | 120.0° | 120.0° |
| C14 | C15 | O16 | C06 | 179.7° | 179.4° |
| C14 | C15 | C06 | C07 | 1.1° | 0.6° |
| C14 | C15 | C06 | C05 | 178.2° | 179.4° |
| C10 | C07 | C06 | C15 | 1.7° | 0.6° |
| C10 | C07 | C06 | O08 | 179.1° | 179.9° |
| C10 | C07 | C06 | C05 | 178.9° | 179.4° |
| C10 | C07 | O08 | C09 | 31.7° | 5.3° |
| O16 | C15 | C06 | C07 | 178.6° | 180.0° |
| O16 | C15 | C06 | C05 | 1.5° | 0.0° |
| C15 | O16 | C17 | H2 | 180.0° | 60.0° |
| C15 | O16 | C17 | H3 | 60.0° | 60.0° |
| C15 | O16 | C17 | H4 | 60.0° | 180.0° |
| O16 | C15 | C14 | H17 | 0.8° | 0.2° |
| C15 | C06 | C07 | C05 | 177.2° | 180.0° |
| C15 | C06 | C07 | O08 | 179.2° | 179.5° |
| C15 | C06 | C05 | N04 | 46.9° | 51.1° |
| C15 | C06 | C05 | C18 | 134.7° | 129.5° |
| C06 | C15 | C14 | H17 | 179.5° | 179.7° |
| C06 | C07 | O08 | C09 | 147.4° | 174.7° |
| C07 | C06 | C05 | N04 | 130.1° | 128.9° |
| C07 | C06 | C05 | C18 | 48.3° | 50.5° |
| C06 | C07 | C10 | H1 | 178.2° | 180.0° |
| O08 | C07 | C06 | C05 | 2.0° | 0.5° |
| O08 | C07 | C10 | H1 | 0.9° | 0.1° |
| C07 | O08 | C09 | H12 | 180.0° | 178.1° |
| C07 | O08 | C09 | H13 | 60.0° | 58.0° |
| C07 | O08 | C09 | H14 | 60.0° | 62.0° |
| C06 | C05 | N04 | C18 | 178.7° | 179.6° |
| C06 | C05 | N04 | C03 | 179.4° | 179.8° |
| C06 | C05 | C18 | C19 | 0.0° | 0.0° |
| C06 | C05 | C18 | N02 | 178.6° | 180.0° |
| O08 | C09 | H12 | H13 | 120.0° | 120.1° |
| O08 | C09 | H12 | H14 | 120.0° | 119.9° |
| O08 | C09 | H13 | H14 | 120.0° | 120.0° |
| C05 | N04 | C03 | N02 | 1.1° | 0.0° |
| N04 | C05 | C18 | C19 | 178.6° | 179.6° |
| N04 | C05 | C18 | N02 | 0.0° | 0.4° |
| C05 | N04 | C03 | H11 | 178.8° | 179.8° |
| C03 | N04 | C05 | C18 | 0.7° | 0.3° |
| N04 | C03 | N02 | H11 | 180.0° | 179.8° |
| N04 | C03 | N02 | C18 | 1.1° | 0.3° |
| N04 | C03 | N02 | C01 | 178.9° | 179.8° |
| C05 | C18 | N02 | C03 | 0.7° | 0.4° |
| C05 | C18 | C19 | N02 | 178.3° | 180.0° |
| C05 | C18 | C19 | C26 | 62.2° | 125.8° |
| C05 | C18 | C19 | C20 | 115.7° | 53.8° |
| C05 | C18 | N02 | C01 | 179.4° | 179.6° |
| C03 | N02 | C18 | C19 | 179.3° | 179.6° |
| C03 | N02 | C18 | C01 | 179.9° | 180.0° |
| C03 | N02 | C01 | H8 | 180.0° | 90.0° |
| C03 | N02 | C01 | H9 | 60.0° | 150.0° |
| C03 | N02 | C01 | H10 | 60.0° | 30.0° |
| C18 | C19 | C26 | C20 | 177.9° | 179.5° |
| C18 | C19 | C26 | C25 | 177.9° | 180.0° |
| C19 | C18 | N02 | C01 | 0.8° | 0.4° |
| C18 | C19 | C20 | C21 | 177.9° | 179.5° |
| C18 | C19 | C20 | H5 | 2.1° | 0.2° |
| C18 | C19 | C26 | H7 | 2.1° | 0.1° |
| N02 | C18 | C19 | C26 | 119.5° | 54.2° |
| N02 | C18 | C19 | C20 | 62.6° | 126.2° |
| C18 | N02 | C01 | H8 | 0.1° | 90.0° |
| C18 | N02 | C01 | H9 | 119.9° | 30.0° |
| C18 | N02 | C01 | H10 | 120.1° | 149.9° |
| C18 | N02 | C03 | H11 | 178.9° | 180.0° |
| C19 | C26 | C25 | H7 | 180.0° | 180.0° |
| C19 | C26 | C25 | C22 | 0.1° | 0.8° |
| C26 | C19 | C20 | C21 | 0.0° | 0.0° |
| C26 | C19 | C20 | H5 | 180.0° | 179.8° |
| C19 | C26 | C25 | H18 | 179.8° | 180.0° |
| C25 | C26 | C19 | C20 | 0.0° | 0.5° |
| C26 | C25 | C22 | H18 | 180.0° | 179.2° |
| C26 | C25 | C22 | C21 | 0.2° | 0.5° |
| C26 | C25 | C22 | C23 | 179.8° | 179.4° |
| C19 | C20 | C21 | H5 | 180.0° | 179.7° |
| C19 | C20 | C21 | C22 | 0.1° | 0.3° |
| C19 | C20 | C21 | H6 | 179.9° | 179.7° |
| C20 | C19 | C26 | H7 | 180.0° | 179.5° |
| N02 | C01 | H8 | H9 | 120.0° | 120.0° |
| N02 | C01 | H8 | H10 | 120.0° | 120.1° |
| N02 | C01 | H9 | H10 | 120.0° | 120.0° |
| C01 | N02 | C03 | H11 | 1.1° | 0.0° |
| C25 | C22 | C21 | C20 | 0.2° | 0.0° |
| C25 | C22 | C21 | C23 | 180.0° | 180.0° |
| C25 | C22 | C23 | N24 | 23.1° | 174.9° |
| C25 | C22 | C21 | H6 | 179.8° | 180.0° |
| C22 | C25 | C26 | H7 | 179.9° | 179.2° |
| C20 | C21 | C22 | H6 | 180.0° | 180.0° |
| C20 | C21 | C22 | C23 | 179.9° | 180.0° |
| C21 | C22 | C23 | N24 | 156.9° | 5.1° |
| C22 | C21 | C20 | H5 | 179.9° | 180.0° |
| C21 | C22 | C25 | H18 | 179.8° | 179.7° |
| C23 | C22 | C21 | H6 | 0.1° | 0.1° |
| C23 | C22 | C25 | H18 | 0.2° | 0.2° |
| H2 | C17 | H3 | H4 | 120.0° | 119.9° |
| H5 | C20 | C21 | H6 | 0.1° | 0.0° |
| H7 | C26 | C25 | H18 | 0.1° | 0.0° |
| H8 | C01 | H9 | H10 | 120.0° | 120.0° |
| H12 | C09 | H13 | H14 | 120.0° | 120.0° |
| H15 | C12 | N13 | H19 | 58.5° | 63.9° |
| H15 | C12 | N13 | H20 | 61.5° | 60.0° |
| H16 | C12 | N13 | H19 | 58.5° | 176.0° |
| H16 | C12 | N13 | H20 | 178.5° | 60.0° |
