C7K
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C22 | C21 | sing | 1.53Å | 1.53Å | |
| C22 | C23 | sing | 1.53Å | 1.53Å | |
| C21 | C20 | sing | 1.53Å | 1.53Å | |
| C23 | C24 | sing | 1.53Å | 1.52Å | |
| C20 | C19 | sing | 1.53Å | 1.54Å | |
| C24 | C25 | sing | 1.51Å | 1.50Å | |
| C19 | C18 | sing | 1.53Å | 1.52Å | |
| C25 | O26 | doub | 1.21Å | 1.30Å | |
| C25 | O27 | sing | 1.34Å | 1.22Å | |
| C18 | C17 | sing | 1.53Å | 1.52Å | |
| C17 | C16 | sing | 1.53Å | 1.52Å | |
| C16 | C15 | sing | 1.53Å | 1.53Å | |
| C15 | C12 | sing | 1.53Å | 1.53Å | |
| C12 | N8 | sing | 1.47Å | 1.45Å | |
| N8 | C3 | sing | 1.39Å | 1.40Å | |
| C3 | C1 | sing | 1.46Å | 1.42Å | Aromatic |
| C3 | C7 | doub | 1.37Å | 1.40Å | Aromatic |
| N4 | C1 | doub | 1.31Å | 1.36Å | Aromatic |
| N4 | O9 | sing | 1.21Å | 1.35Å | Aromatic |
| C1 | C2 | sing | 1.48Å | 1.48Å | Aromatic |
| C7 | C10 | sing | 1.40Å | 1.38Å | Aromatic |
| O9 | N6 | sing | 1.21Å | 1.34Å | Aromatic |
| C2 | N6 | doub | 1.31Å | 1.36Å | Aromatic |
| C2 | C5 | sing | 1.41Å | 1.44Å | Aromatic |
| C10 | C5 | doub | 1.36Å | 1.38Å | Aromatic |
| C5 | N11 | sing | 1.48Å | 1.46Å | |
| N11 | O13 | sing | 1.22Å | 1.22Å | |
| N11 | O14 | doub | 1.22Å | 1.22Å | |
| C7 | H1 | sing | 1.08Å | 1.08Å | |
| C10 | H2 | sing | 1.08Å | 1.08Å | |
| C12 | H3 | sing | 1.09Å | 1.10Å | |
| C12 | H4 | sing | 1.09Å | 1.10Å | |
| C15 | H5 | sing | 1.09Å | 1.10Å | |
| C15 | H6 | sing | 1.09Å | 1.10Å | |
| C16 | H7 | sing | 1.09Å | 1.10Å | |
| C16 | H8 | sing | 1.09Å | 1.10Å | |
| C19 | H9 | sing | 1.09Å | 1.10Å | |
| C19 | H10 | sing | 1.09Å | 1.10Å | |
| C20 | H11 | sing | 1.09Å | 1.10Å | |
| C21 | H12 | sing | 1.09Å | 1.10Å | |
| C22 | H13 | sing | 1.09Å | 1.10Å | |
| C22 | H14 | sing | 1.09Å | 1.10Å | |
| C24 | H15 | sing | 1.09Å | 1.10Å | |
| C24 | H16 | sing | 1.09Å | 1.10Å | |
| N8 | H17 | sing | 0.97Å | 1.00Å | |
| C17 | H18 | sing | 1.09Å | 1.10Å | |
| C17 | H19 | sing | 1.09Å | 1.10Å | |
| C18 | H20 | sing | 1.09Å | 1.10Å | |
| C18 | H21 | sing | 1.09Å | 1.10Å | |
| C23 | H22 | sing | 1.09Å | 1.10Å | |
| C23 | H23 | sing | 1.09Å | 1.10Å | |
| O27 | H24 | sing | 0.97Å | 0.95Å | |
| C20 | H25 | sing | 1.09Å | 1.10Å | |
| C21 | H26 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C21 | C22 | C23 | 115.8° | 109.5° |
| C22 | C21 | C20 | 115.1° | 109.5° |
| C22 | C21 | H12 | 108.1° | 109.5° |
| C21 | C22 | H13 | 107.9° | 109.5° |
| C21 | C22 | H14 | 107.8° | 109.5° |
| C22 | C21 | H26 | 108.1° | 109.5° |
| C22 | C23 | C24 | 113.0° | 109.5° |
| C23 | C22 | H13 | 107.9° | 109.4° |
| C23 | C22 | H14 | 107.9° | 109.5° |
| C22 | C23 | H22 | 108.6° | 109.5° |
| C22 | C23 | H23 | 108.6° | 109.5° |
| C21 | C20 | C19 | 116.4° | 109.5° |
| C21 | C20 | H11 | 107.7° | 109.4° |
| C20 | C21 | H12 | 108.1° | 109.4° |
| C21 | C20 | H25 | 107.7° | 109.5° |
| C20 | C21 | H26 | 108.0° | 109.5° |
| C23 | C24 | C25 | 115.4° | 109.5° |
| C23 | C24 | H15 | 108.0° | 109.4° |
| C23 | C24 | H16 | 108.0° | 109.5° |
| C24 | C23 | H22 | 108.6° | 109.4° |
| C24 | C23 | H23 | 108.6° | 109.4° |
| C20 | C19 | C18 | 116.6° | 109.4° |
| C20 | C19 | H9 | 107.7° | 109.5° |
| C20 | C19 | H10 | 107.7° | 109.5° |
| C19 | C20 | H11 | 107.7° | 109.5° |
| C19 | C20 | H25 | 107.7° | 109.5° |
| C24 | C25 | O26 | 112.9° | 120.0° |
| C24 | C25 | O27 | 123.6° | 120.0° |
| C25 | C24 | H15 | 108.0° | 109.4° |
| C25 | C24 | H16 | 108.0° | 109.5° |
| C19 | C18 | C17 | 115.0° | 109.4° |
| C18 | C19 | H9 | 107.6° | 109.5° |
| C18 | C19 | H10 | 107.6° | 109.4° |
| C19 | C18 | H20 | 108.1° | 109.5° |
| C19 | C18 | H21 | 108.1° | 109.4° |
| O26 | C25 | O27 | 123.5° | 120.0° |
| C25 | O27 | H24 | 109.5° | 117.0° |
| C18 | C17 | C16 | 114.1° | 109.5° |
| C18 | C17 | H18 | 108.3° | 109.5° |
| C18 | C17 | H19 | 108.3° | 109.5° |
| C17 | C18 | H20 | 108.1° | 109.5° |
| C17 | C18 | H21 | 108.1° | 109.4° |
| C17 | C16 | C15 | 114.4° | 109.5° |
| C17 | C16 | H7 | 108.2° | 109.4° |
| C17 | C16 | H8 | 108.2° | 109.5° |
| C16 | C17 | H18 | 108.3° | 109.4° |
| C16 | C17 | H19 | 108.3° | 109.5° |
| C16 | C15 | C12 | 114.2° | 109.5° |
| C16 | C15 | H5 | 108.3° | 109.4° |
| C16 | C15 | H6 | 108.3° | 109.5° |
| C15 | C16 | H7 | 108.2° | 109.4° |
| C15 | C16 | H8 | 108.2° | 109.5° |
| C15 | C12 | N8 | 111.0° | 109.5° |
| C15 | C12 | H3 | 109.1° | 109.5° |
| C15 | C12 | H4 | 109.1° | 109.5° |
| C12 | C15 | H5 | 108.3° | 109.4° |
| C12 | C15 | H6 | 108.3° | 109.5° |
| C12 | N8 | C3 | 128.8° | 120.0° |
| N8 | C12 | H3 | 109.1° | 109.4° |
| N8 | C12 | H4 | 109.1° | 109.5° |
| C12 | N8 | H17 | 104.5° | 119.9° |
| N8 | C3 | C1 | 122.4° | 120.7° |
| N8 | C3 | C7 | 118.6° | 120.7° |
| C3 | N8 | H17 | 104.5° | 120.0° |
| C1 | C3 | C7 | 119.0° | 118.6° |
| C3 | C1 | N4 | 136.5° | 138.8° |
| C3 | C1 | C2 | 119.6° | 118.2° |
| C3 | C7 | C10 | 122.7° | 121.7° |
| C3 | C7 | H1 | 118.7° | 119.1° |
| C1 | N4 | O9 | 109.5° | 109.1° |
| N4 | C1 | C2 | 103.8° | 102.9° |
| N4 | O9 | N6 | 111.5° | 116.3° |
| C1 | C2 | N6 | 108.0° | 102.6° |
| C1 | C2 | C5 | 117.3° | 118.6° |
| C7 | C10 | C5 | 120.7° | 122.7° |
| C10 | C7 | H1 | 118.6° | 119.1° |
| C7 | C10 | H2 | 119.7° | 118.6° |
| O9 | N6 | C2 | 107.2° | 109.1° |
| N6 | C2 | C5 | 134.7° | 138.8° |
| C2 | C5 | C10 | 120.7° | 120.1° |
| C2 | C5 | N11 | 122.0° | 120.0° |
| C10 | C5 | N11 | 117.0° | 120.0° |
| C5 | C10 | H2 | 119.7° | 118.7° |
| C5 | N11 | O13 | 118.4° | 120.0° |
| C5 | N11 | O14 | 118.2° | 120.0° |
| O13 | N11 | O14 | 123.3° | 120.0° |
| H3 | C12 | H4 | 109.5° | 109.5° |
| H5 | C15 | H6 | 109.5° | 109.5° |
| H7 | C16 | H8 | 109.5° | 109.5° |
| H9 | C19 | H10 | 109.5° | 109.5° |
| H11 | C20 | H25 | 109.5° | 109.5° |
| H12 | C21 | H26 | 109.5° | 109.5° |
| H13 | C22 | H14 | 109.4° | 109.5° |
| H15 | C24 | H16 | 109.5° | 109.5° |
| H18 | C17 | H19 | 109.5° | 109.5° |
| H20 | C18 | H21 | 109.5° | 109.5° |
| H22 | C23 | H23 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C21 | C22 | C23 | H13 | 121.0° | 120.0° |
| C21 | C22 | C23 | H14 | 120.9° | 120.1° |
| C22 | C21 | C20 | H12 | 120.9° | 120.0° |
| C22 | C21 | C20 | H26 | 120.8° | 120.1° |
| C21 | C22 | C23 | C24 | 79.9° | 180.0° |
| C22 | C21 | C20 | C19 | 161.6° | 180.0° |
| C22 | C21 | C20 | H11 | 77.4° | 60.0° |
| C22 | C21 | H12 | H26 | 117.5° | 120.0° |
| C21 | C22 | H13 | H14 | 117.1° | 120.0° |
| C21 | C22 | C23 | H22 | 40.6° | 60.1° |
| C21 | C22 | C23 | H23 | 159.6° | 60.0° |
| C22 | C21 | C20 | H25 | 40.6° | 59.9° |
| C23 | C22 | C21 | C20 | 68.9° | 180.0° |
| C22 | C23 | C24 | H22 | 120.5° | 120.0° |
| C22 | C23 | C24 | H23 | 120.5° | 120.1° |
| C22 | C23 | C24 | C25 | 123.3° | 180.0° |
| C23 | C22 | C21 | H12 | 52.0° | 60.1° |
| C23 | C22 | H13 | H14 | 117.1° | 120.0° |
| C22 | C23 | C24 | H15 | 115.8° | 60.1° |
| C22 | C23 | C24 | H16 | 2.5° | 60.0° |
| C22 | C23 | H22 | H23 | 118.4° | 120.1° |
| C23 | C22 | C21 | H26 | 170.3° | 60.0° |
| C21 | C20 | C19 | H11 | 121.0° | 119.9° |
| C21 | C20 | C19 | H25 | 121.0° | 120.0° |
| C21 | C20 | C19 | C18 | 67.9° | 180.0° |
| C21 | C20 | C19 | H9 | 53.1° | 60.0° |
| C21 | C20 | C19 | H10 | 171.0° | 60.1° |
| C21 | C20 | H11 | H25 | 116.8° | 120.0° |
| C20 | C21 | H12 | H26 | 117.4° | 120.0° |
| C20 | C21 | C22 | H13 | 52.1° | 60.1° |
| C20 | C21 | C22 | H14 | 170.2° | 60.0° |
| C23 | C24 | C25 | H15 | 120.8° | 119.9° |
| C23 | C24 | C25 | H16 | 120.9° | 120.1° |
| C23 | C24 | C25 | O26 | 119.9° | 0.1° |
| C23 | C24 | C25 | O27 | 62.2° | 180.0° |
| C24 | C23 | C22 | H13 | 159.1° | 60.0° |
| C24 | C23 | C22 | H14 | 41.0° | 59.9° |
| C23 | C24 | H15 | H16 | 117.3° | 120.0° |
| C24 | C23 | H22 | H23 | 118.4° | 119.9° |
| C20 | C19 | C18 | H9 | 121.0° | 120.0° |
| C20 | C19 | C18 | H10 | 121.1° | 120.0° |
| C20 | C19 | C18 | C17 | 71.8° | 180.0° |
| C20 | C19 | H9 | H10 | 116.8° | 120.0° |
| C19 | C20 | H11 | H25 | 116.8° | 120.0° |
| C19 | C20 | C21 | H12 | 40.8° | 60.0° |
| C20 | C19 | C18 | H20 | 49.0° | 60.0° |
| C20 | C19 | C18 | H21 | 167.4° | 60.1° |
| C19 | C20 | C21 | H26 | 77.5° | 59.9° |
| C24 | C25 | O26 | O27 | 177.9° | 179.9° |
| C25 | C24 | H15 | H16 | 117.3° | 120.0° |
| C25 | C24 | C23 | H22 | 2.8° | 60.0° |
| C25 | C24 | C23 | H23 | 116.1° | 59.9° |
| C24 | C25 | O27 | H24 | 177.7° | 180.0° |
| C19 | C18 | C17 | H20 | 120.8° | 120.0° |
| C19 | C18 | C17 | H21 | 120.8° | 119.9° |
| C19 | C18 | C17 | C16 | 175.8° | 180.0° |
| C18 | C19 | H9 | H10 | 116.7° | 120.0° |
| C18 | C19 | C20 | H11 | 171.0° | 60.1° |
| C19 | C18 | C17 | H18 | 55.1° | 60.1° |
| C19 | C18 | C17 | H19 | 63.5° | 60.0° |
| C19 | C18 | H20 | H21 | 117.5° | 120.0° |
| C18 | C19 | C20 | H25 | 53.1° | 60.0° |
| O26 | C25 | C24 | H15 | 1.0° | 120.0° |
| O26 | C25 | C24 | H16 | 119.3° | 120.0° |
| O26 | C25 | O27 | H24 | 0.0° | 0.1° |
| O27 | C25 | C24 | H15 | 177.0° | 60.1° |
| O27 | C25 | C24 | H16 | 58.7° | 59.9° |
| C18 | C17 | C16 | H18 | 120.7° | 120.0° |
| C18 | C17 | C16 | H19 | 120.7° | 120.1° |
| C18 | C17 | C16 | C15 | 173.4° | 180.0° |
| C18 | C17 | C16 | H7 | 52.7° | 60.0° |
| C18 | C17 | C16 | H8 | 65.9° | 60.0° |
| C17 | C18 | C19 | H9 | 167.2° | 60.0° |
| C17 | C18 | C19 | H10 | 49.2° | 60.0° |
| C18 | C17 | H18 | H19 | 117.9° | 120.0° |
| C17 | C18 | H20 | H21 | 117.5° | 120.0° |
| C17 | C16 | C15 | H7 | 120.7° | 120.0° |
| C17 | C16 | C15 | H8 | 120.7° | 120.0° |
| C17 | C16 | C15 | C12 | 99.9° | 180.0° |
| C17 | C16 | C15 | H5 | 139.4° | 60.0° |
| C17 | C16 | C15 | H6 | 20.8° | 60.0° |
| C17 | C16 | H7 | H8 | 117.8° | 120.0° |
| C16 | C17 | H18 | H19 | 117.9° | 120.0° |
| C16 | C17 | C18 | H20 | 63.4° | 60.0° |
| C16 | C17 | C18 | H21 | 55.0° | 60.1° |
| C16 | C15 | C12 | H5 | 120.7° | 120.0° |
| C16 | C15 | C12 | H6 | 120.7° | 120.1° |
| C16 | C15 | C12 | N8 | 172.7° | 180.0° |
| C16 | C15 | C12 | H3 | 52.5° | 60.0° |
| C16 | C15 | C12 | H4 | 67.1° | 60.0° |
| C16 | C15 | H5 | H6 | 117.9° | 120.0° |
| C15 | C16 | H7 | H8 | 117.7° | 120.0° |
| C15 | C16 | C17 | H18 | 65.9° | 60.0° |
| C15 | C16 | C17 | H19 | 52.7° | 59.9° |
| C15 | C12 | N8 | H3 | 120.2° | 120.0° |
| C15 | C12 | N8 | H4 | 120.2° | 120.0° |
| C15 | C12 | N8 | C3 | 118.0° | 179.9° |
| C15 | C12 | H3 | H4 | 119.3° | 120.0° |
| C12 | C15 | H5 | H6 | 117.8° | 120.0° |
| C12 | C15 | C16 | H7 | 20.8° | 60.0° |
| C12 | C15 | C16 | H8 | 139.4° | 60.0° |
| C15 | C12 | N8 | H17 | 4.6° | 0.0° |
| C12 | N8 | C3 | H17 | 122.5° | 179.9° |
| C12 | N8 | C3 | C1 | 7.7° | 180.0° |
| C12 | N8 | C3 | C7 | 174.0° | 0.1° |
| N8 | C12 | H3 | H4 | 119.3° | 120.0° |
| N8 | C12 | C15 | H5 | 66.6° | 60.0° |
| N8 | C12 | C15 | H6 | 52.0° | 60.0° |
| N8 | C3 | C1 | C7 | 178.4° | 179.9° |
| N8 | C3 | C1 | N4 | 4.6° | 0.4° |
| N8 | C3 | C1 | C2 | 178.8° | 179.9° |
| N8 | C3 | C7 | C10 | 176.8° | 179.9° |
| N8 | C3 | C7 | H1 | 3.2° | 0.1° |
| C3 | N8 | C12 | H3 | 121.8° | 60.1° |
| C3 | N8 | C12 | H4 | 2.3° | 59.9° |
| C3 | C1 | N4 | C2 | 176.9° | 179.6° |
| C3 | C1 | N4 | O9 | 177.7° | 180.0° |
| C1 | C3 | C7 | C10 | 1.6° | 0.0° |
| C3 | C1 | C2 | N6 | 178.2° | 180.0° |
| C3 | C1 | C2 | C5 | 3.2° | 0.0° |
| C1 | C3 | C7 | H1 | 178.4° | 180.0° |
| C1 | C3 | N8 | H17 | 130.2° | 0.1° |
| C7 | C3 | C1 | N4 | 177.1° | 179.6° |
| C7 | C3 | C1 | C2 | 0.5° | 0.0° |
| C3 | C7 | C10 | H1 | 180.0° | 180.0° |
| C3 | C7 | C10 | C5 | 0.8° | 0.1° |
| C3 | C7 | C10 | H2 | 179.2° | 180.0° |
| C7 | C3 | N8 | H17 | 51.4° | 180.0° |
| C1 | N4 | O9 | N6 | 0.6° | 0.4° |
| N4 | C1 | C2 | N6 | 0.7° | 0.2° |
| N4 | C1 | C2 | C5 | 179.2° | 179.7° |
| O9 | N4 | C1 | C2 | 0.7° | 0.4° |
| N4 | O9 | N6 | C2 | 0.1° | 0.3° |
| C1 | C2 | N6 | O9 | 0.3° | 0.0° |
| C1 | C2 | N6 | C5 | 178.2° | 179.9° |
| C1 | C2 | C5 | C10 | 4.1° | 0.1° |
| C1 | C2 | C5 | N11 | 177.4° | 180.0° |
| C7 | C10 | C5 | C2 | 2.1° | 0.1° |
| C7 | C10 | C5 | H2 | 180.0° | 179.9° |
| C7 | C10 | C5 | N11 | 175.8° | 179.9° |
| O9 | N6 | C2 | C5 | 178.5° | 179.9° |
| N6 | C2 | C5 | C10 | 177.9° | 180.0° |
| N6 | C2 | C5 | N11 | 4.5° | 0.1° |
| C2 | C5 | C10 | N11 | 173.7° | 179.9° |
| C2 | C5 | N11 | O13 | 15.2° | 180.0° |
| C2 | C5 | N11 | O14 | 163.6° | 0.0° |
| C2 | C5 | C10 | H2 | 177.9° | 180.0° |
| C10 | C5 | N11 | O13 | 171.2° | 0.1° |
| C10 | C5 | N11 | O14 | 10.0° | 180.0° |
| C5 | C10 | C7 | H1 | 179.2° | 179.9° |
| C5 | N11 | O13 | O14 | 178.7° | 179.9° |
| N11 | C5 | C10 | H2 | 4.2° | 0.0° |
| H1 | C7 | C10 | H2 | 0.8° | 0.0° |
| H3 | C12 | C15 | H5 | 173.2° | 60.0° |
| H3 | C12 | C15 | H6 | 68.2° | 180.0° |
| H3 | C12 | N8 | H17 | 115.6° | 120.0° |
| H4 | C12 | C15 | H5 | 53.7° | 180.0° |
| H4 | C12 | C15 | H6 | 172.2° | 60.0° |
| H4 | C12 | N8 | H17 | 124.8° | 120.0° |
| H5 | C15 | C16 | H7 | 99.9° | NaN° |
| H5 | C15 | C16 | H8 | 18.7° | 60.0° |
| H6 | C15 | C16 | H7 | 141.5° | 60.0° |
| H6 | C15 | C16 | H8 | 99.9° | 180.0° |
| H7 | C16 | C17 | H18 | 173.3° | 180.0° |
| H7 | C16 | C17 | H19 | 68.0° | 60.0° |
| H8 | C16 | C17 | H18 | 54.8° | 60.0° |
| H8 | C16 | C17 | H19 | 173.4° | 180.0° |
| H9 | C19 | C20 | H11 | 68.0° | 60.0° |
| H9 | C19 | C18 | H20 | 72.0° | 180.0° |
| H9 | C19 | C18 | H21 | 46.4° | 59.9° |
| H9 | C19 | C20 | H25 | 174.1° | 180.0° |
| H10 | C19 | C20 | H11 | 50.0° | NaN° |
| H10 | C19 | C18 | H20 | 170.0° | 60.0° |
| H10 | C19 | C18 | H21 | 71.6° | 180.0° |
| H10 | C19 | C20 | H25 | 68.0° | 60.0° |
| H11 | C20 | C21 | H12 | 161.8° | 180.0° |
| H11 | C20 | C21 | H26 | 43.5° | 60.0° |
| H12 | C21 | C22 | H13 | 172.9° | 180.0° |
| H12 | C21 | C22 | H14 | 69.0° | 60.0° |
| H12 | C21 | C20 | H25 | 80.2° | 60.0° |
| H13 | C22 | C23 | H22 | 80.3° | 180.0° |
| H13 | C22 | C23 | H23 | 38.6° | 60.0° |
| H13 | C22 | C21 | H26 | 68.8° | 60.0° |
| H14 | C22 | C23 | H22 | 161.6° | 60.0° |
| H14 | C22 | C23 | H23 | 79.5° | 179.9° |
| H14 | C22 | C21 | H26 | 49.4° | 180.0° |
| H15 | C24 | C23 | H22 | 123.7° | 179.9° |
| H15 | C24 | C23 | H23 | 4.7° | 60.0° |
| H16 | C24 | C23 | H22 | 118.1° | 60.0° |
| H16 | C24 | C23 | H23 | 123.0° | 180.0° |
| H18 | C17 | C18 | H20 | 175.9° | 60.0° |
| H18 | C17 | C18 | H21 | 65.7° | 180.0° |
| H19 | C17 | C18 | H20 | 57.3° | 180.0° |
| H19 | C17 | C18 | H21 | 175.7° | 60.0° |
| H25 | C20 | C21 | H26 | 161.4° | 180.0° |
