7LX
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C17 | O13 | sing | 1.43Å | 1.44Å | |
| O10 | C6 | doub | 1.21Å | 1.33Å | |
| O13 | C7 | sing | 1.36Å | 1.38Å | |
| C6 | O11 | sing | 1.34Å | 1.20Å | |
| C6 | C2 | sing | 1.51Å | 1.50Å | |
| C3 | C7 | doub | 1.39Å | 1.39Å | Aromatic |
| C3 | C1 | sing | 1.38Å | 1.39Å | Aromatic |
| C7 | C12 | sing | 1.39Å | 1.40Å | Aromatic |
| N5 | C2 | sing | 1.47Å | 1.46Å | |
| N5 | C9 | sing | 1.39Å | 1.41Å | |
| C2 | C1 | sing | 1.51Å | 1.51Å | |
| C1 | C4 | doub | 1.38Å | 1.39Å | Aromatic |
| C14 | C9 | doub | 1.40Å | 1.41Å | Aromatic |
| C14 | C18 | sing | 1.36Å | 1.36Å | Aromatic |
| C9 | C15 | sing | 1.38Å | 1.39Å | Aromatic |
| C12 | O16 | sing | 1.36Å | 1.37Å | |
| C12 | C8 | doub | 1.38Å | 1.39Å | Aromatic |
| O16 | C19 | sing | 1.43Å | 1.45Å | |
| C18 | C22 | doub | 1.40Å | 1.41Å | Aromatic |
| C4 | C8 | sing | 1.38Å | 1.39Å | Aromatic |
| C15 | C21 | doub | 1.40Å | 1.41Å | Aromatic |
| C19 | C20 | sing | 1.53Å | 1.53Å | |
| C22 | C21 | sing | 1.42Å | 1.42Å | Aromatic |
| C22 | C25 | sing | 1.40Å | 1.42Å | Aromatic |
| C21 | C26 | sing | 1.41Å | 1.43Å | Aromatic |
| C25 | N23 | doub | 1.31Å | 1.31Å | Aromatic |
| C26 | C24 | doub | 1.36Å | 1.37Å | Aromatic |
| N23 | C24 | sing | 1.33Å | 1.35Å | Aromatic |
| C4 | H1 | sing | 1.08Å | 1.08Å | |
| C8 | H2 | sing | 1.08Å | 1.08Å | |
| C15 | H3 | sing | 1.08Å | 1.08Å | |
| C17 | H4 | sing | 1.09Å | 1.10Å | |
| C17 | H5 | sing | 1.09Å | 1.10Å | |
| C17 | H6 | sing | 1.09Å | 1.10Å | |
| C20 | H7 | sing | 1.09Å | 1.10Å | |
| C20 | H8 | sing | 1.09Å | 1.10Å | |
| C20 | H9 | sing | 1.09Å | 1.10Å | |
| C24 | H10 | sing | 1.08Å | 1.08Å | |
| C26 | H11 | sing | 1.08Å | 1.08Å | |
| C2 | H12 | sing | 1.09Å | 1.10Å | |
| C3 | H13 | sing | 1.08Å | 1.08Å | |
| N5 | H14 | sing | 0.97Å | 1.00Å | |
| O11 | H15 | sing | 0.97Å | 0.95Å | |
| C14 | H16 | sing | 1.08Å | 1.08Å | |
| C18 | H17 | sing | 1.08Å | 1.08Å | |
| C19 | H18 | sing | 1.09Å | 1.10Å | |
| C19 | H19 | sing | 1.09Å | 1.10Å | |
| C25 | H20 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C17 | O13 | C7 | 120.5° | 117.0° |
| O13 | C17 | H4 | 109.5° | 109.5° |
| O13 | C17 | H5 | 109.4° | 109.5° |
| O13 | C17 | H6 | 109.5° | 109.5° |
| O10 | C6 | O11 | 118.7° | 120.0° |
| O10 | C6 | C2 | 121.1° | 120.0° |
| O13 | C7 | C3 | 124.6° | 120.1° |
| O13 | C7 | C12 | 116.3° | 120.1° |
| O11 | C6 | C2 | 120.1° | 120.0° |
| C6 | O11 | H15 | 109.5° | 117.1° |
| C6 | C2 | N5 | 108.0° | 109.5° |
| C6 | C2 | C1 | 109.1° | 109.5° |
| C6 | C2 | H12 | 109.6° | 109.4° |
| C7 | C3 | C1 | 120.3° | 120.0° |
| C3 | C7 | C12 | 119.1° | 119.8° |
| C7 | C3 | H13 | 119.9° | 120.0° |
| C3 | C1 | C2 | 122.5° | 120.0° |
| C3 | C1 | C4 | 120.6° | 120.1° |
| C1 | C3 | H13 | 119.9° | 119.9° |
| C7 | C12 | O16 | 118.0° | 120.0° |
| C7 | C12 | C8 | 120.3° | 119.9° |
| C2 | N5 | C9 | 122.9° | 120.0° |
| N5 | C2 | C1 | 110.5° | 109.5° |
| N5 | C2 | H12 | 110.2° | 109.5° |
| C2 | N5 | H14 | 106.0° | 120.0° |
| N5 | C9 | C14 | 117.6° | 119.7° |
| N5 | C9 | C15 | 122.2° | 119.6° |
| C9 | N5 | H14 | 106.0° | 120.0° |
| C2 | C1 | C4 | 116.9° | 119.9° |
| C1 | C2 | H12 | 109.4° | 109.5° |
| C1 | C4 | C8 | 119.4° | 120.1° |
| C1 | C4 | H1 | 120.3° | 119.9° |
| C9 | C14 | C18 | 121.5° | 121.0° |
| C14 | C9 | C15 | 120.2° | 120.7° |
| C9 | C14 | H16 | 119.2° | 119.5° |
| C14 | C18 | C22 | 119.9° | 119.8° |
| C18 | C14 | H16 | 119.2° | 119.5° |
| C14 | C18 | H17 | 120.0° | 120.2° |
| C9 | C15 | C21 | 119.1° | 119.4° |
| C9 | C15 | H3 | 120.5° | 120.4° |
| O16 | C12 | C8 | 121.6° | 120.1° |
| C12 | O16 | C19 | 117.9° | 117.0° |
| C12 | C8 | C4 | 120.3° | 120.0° |
| C12 | C8 | H2 | 119.8° | 120.0° |
| O16 | C19 | C20 | 110.5° | 109.5° |
| O16 | C19 | H18 | 109.2° | 109.5° |
| O16 | C19 | H19 | 109.2° | 109.4° |
| C18 | C22 | C21 | 119.3° | 119.6° |
| C18 | C22 | C25 | 120.8° | 121.9° |
| C22 | C18 | H17 | 120.0° | 120.1° |
| C8 | C4 | H1 | 120.3° | 120.0° |
| C4 | C8 | H2 | 119.9° | 120.0° |
| C15 | C21 | C22 | 119.9° | 119.6° |
| C15 | C21 | C26 | 122.5° | 122.2° |
| C21 | C15 | H3 | 120.4° | 120.3° |
| C19 | C20 | H7 | 109.5° | 109.4° |
| C19 | C20 | H8 | 109.5° | 109.5° |
| C19 | C20 | H9 | 109.5° | 109.5° |
| C20 | C19 | H18 | 109.2° | 109.5° |
| C20 | C19 | H19 | 109.2° | 109.5° |
| C21 | C22 | C25 | 119.9° | 118.5° |
| C22 | C21 | C26 | 117.6° | 118.2° |
| C22 | C25 | N23 | 119.5° | 119.9° |
| C22 | C25 | H20 | 120.3° | 120.0° |
| C21 | C26 | C24 | 118.1° | 118.7° |
| C21 | C26 | H11 | 120.9° | 120.6° |
| C25 | N23 | C24 | 122.3° | 122.8° |
| N23 | C25 | H20 | 120.2° | 120.1° |
| C26 | C24 | N23 | 122.6° | 121.8° |
| C26 | C24 | H10 | 118.7° | 119.1° |
| C24 | C26 | H11 | 120.9° | 120.7° |
| N23 | C24 | H10 | 118.7° | 119.0° |
| H4 | C17 | H5 | 109.5° | 109.4° |
| H4 | C17 | H6 | 109.5° | 109.5° |
| H5 | C17 | H6 | 109.5° | 109.4° |
| H7 | C20 | H8 | 109.4° | 109.5° |
| H7 | C20 | H9 | 109.5° | 109.4° |
| H8 | C20 | H9 | 109.5° | 109.5° |
| H18 | C19 | H19 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C17 | O13 | C7 | C3 | 5.5° | 0.0° |
| C17 | O13 | C7 | C12 | 176.2° | 180.0° |
| O13 | C17 | H4 | H5 | 120.0° | 120.0° |
| O13 | C17 | H4 | H6 | 120.0° | 120.1° |
| O13 | C17 | H5 | H6 | 120.0° | 120.0° |
| O10 | C6 | O11 | C2 | 177.6° | 179.9° |
| O10 | C6 | C2 | N5 | 11.5° | 0.1° |
| O10 | C6 | C2 | C1 | 108.7° | 120.0° |
| O10 | C6 | C2 | H12 | 131.5° | 120.0° |
| O10 | C6 | O11 | H15 | 0.0° | 0.1° |
| O13 | C7 | C3 | C12 | 178.3° | 180.0° |
| O13 | C7 | C3 | C1 | 178.9° | 179.8° |
| O13 | C7 | C12 | O16 | 0.6° | 0.0° |
| O13 | C7 | C12 | C8 | 179.6° | 179.5° |
| C7 | O13 | C17 | H4 | 180.0° | 60.1° |
| C7 | O13 | C17 | H5 | 60.0° | 180.0° |
| C7 | O13 | C17 | H6 | 60.0° | 60.0° |
| O13 | C7 | C3 | H13 | 1.1° | 0.0° |
| O11 | C6 | C2 | N5 | 166.0° | 180.0° |
| O11 | C6 | C2 | C1 | 73.8° | 59.9° |
| O11 | C6 | C2 | H12 | 46.0° | 60.1° |
| C6 | C2 | C1 | C3 | 61.7° | 99.9° |
| C6 | C2 | N5 | C1 | 119.3° | 120.1° |
| C6 | C2 | N5 | H12 | 119.7° | 119.9° |
| C6 | C2 | N5 | C9 | 159.8° | 85.0° |
| C6 | C2 | C1 | H12 | 119.9° | 119.9° |
| C6 | C2 | C1 | C4 | 116.8° | 80.0° |
| C6 | C2 | N5 | H14 | 78.4° | 95.1° |
| C2 | C6 | O11 | H15 | 177.6° | 179.9° |
| C7 | C3 | C1 | H13 | 180.0° | 179.8° |
| C7 | C3 | C1 | C2 | 178.6° | 180.0° |
| C7 | C3 | C1 | C4 | 0.2° | 0.0° |
| C3 | C7 | C12 | O16 | 179.0° | 180.0° |
| C3 | C7 | C12 | C8 | 1.2° | 0.5° |
| C1 | C3 | C7 | C12 | 0.6° | 0.3° |
| C3 | C1 | C2 | N5 | 56.9° | 140.0° |
| C3 | C1 | C2 | C4 | 178.5° | 180.0° |
| C3 | C1 | C4 | C8 | 0.5° | 0.0° |
| C3 | C1 | C4 | H1 | 179.5° | 179.7° |
| C3 | C1 | C2 | H12 | 178.4° | 20.0° |
| C7 | C12 | O16 | C8 | 179.8° | 179.5° |
| C7 | C12 | O16 | C19 | 162.6° | 180.0° |
| C7 | C12 | C8 | C4 | 0.9° | 0.5° |
| C7 | C12 | C8 | H2 | 179.1° | 179.5° |
| C12 | C7 | C3 | H13 | 179.3° | 179.9° |
| C2 | N5 | C9 | H14 | 121.8° | 180.0° |
| N5 | C2 | C1 | H12 | 121.5° | 120.0° |
| N5 | C2 | C1 | C4 | 124.6° | 40.0° |
| C2 | N5 | C9 | C14 | 178.8° | 0.0° |
| C2 | N5 | C9 | C15 | 2.0° | 180.0° |
| C9 | N5 | C2 | C1 | 80.9° | 155.0° |
| N5 | C9 | C14 | C15 | 179.2° | 180.0° |
| N5 | C9 | C14 | C18 | 179.0° | 179.4° |
| N5 | C9 | C15 | C21 | 179.9° | 180.0° |
| N5 | C9 | C15 | H3 | 0.1° | 0.3° |
| C9 | N5 | C2 | H12 | 40.1° | 35.0° |
| N5 | C9 | C14 | H16 | 1.0° | 0.1° |
| C2 | C1 | C4 | C8 | 179.0° | 180.0° |
| C2 | C1 | C4 | H1 | 1.0° | 0.3° |
| C2 | C1 | C3 | H13 | 1.4° | 0.2° |
| C1 | C2 | N5 | H14 | 40.9° | 25.0° |
| C1 | C4 | C8 | C12 | 0.1° | 0.2° |
| C1 | C4 | C8 | H1 | 180.0° | 179.7° |
| C1 | C4 | C8 | H2 | 179.9° | 179.7° |
| C4 | C1 | C2 | H12 | 3.1° | 160.0° |
| C4 | C1 | C3 | H13 | 179.8° | 179.8° |
| C9 | C14 | C18 | H16 | 180.0° | 179.4° |
| C9 | C14 | C18 | C22 | 1.5° | 0.9° |
| C14 | C9 | C15 | C21 | 0.8° | 0.0° |
| C14 | C9 | C15 | H3 | 179.2° | 179.7° |
| C14 | C9 | N5 | H14 | 57.0° | 180.0° |
| C9 | C14 | C18 | H17 | 178.5° | 179.9° |
| C18 | C14 | C9 | C15 | 0.1° | 0.6° |
| C14 | C18 | C22 | H17 | 180.0° | 179.1° |
| C14 | C18 | C22 | C21 | 1.9° | 0.7° |
| C14 | C18 | C22 | C25 | 179.9° | 179.5° |
| C9 | C15 | C21 | H3 | 180.0° | 179.7° |
| C9 | C15 | C21 | C22 | 0.3° | 0.3° |
| C9 | C15 | C21 | C26 | 179.7° | 179.8° |
| C15 | C9 | N5 | H14 | 123.8° | 0.0° |
| C15 | C9 | C14 | H16 | 179.9° | 179.9° |
| O16 | C12 | C8 | C4 | 179.3° | 180.0° |
| C12 | O16 | C19 | C20 | 156.5° | 180.0° |
| O16 | C12 | C8 | H2 | 0.7° | 0.1° |
| C12 | O16 | C19 | H18 | 36.3° | 60.0° |
| C12 | O16 | C19 | H19 | 83.4° | 60.0° |
| C8 | C12 | O16 | C19 | 17.6° | 0.4° |
| C12 | C8 | C4 | H2 | 180.0° | 179.9° |
| C12 | C8 | C4 | H1 | 179.9° | 180.0° |
| O16 | C19 | C20 | H18 | 120.1° | 120.0° |
| O16 | C19 | C20 | H19 | 120.2° | 120.0° |
| O16 | C19 | C20 | H7 | 180.0° | 60.0° |
| O16 | C19 | C20 | H8 | 60.0° | 60.0° |
| O16 | C19 | C20 | H9 | 60.0° | 180.0° |
| O16 | C19 | H18 | H19 | 119.5° | 120.0° |
| C18 | C22 | C21 | C15 | 1.0° | 0.0° |
| C18 | C22 | C21 | C25 | 178.0° | 179.9° |
| C18 | C22 | C21 | C26 | 178.4° | 179.9° |
| C18 | C22 | C25 | N23 | 178.2° | 179.9° |
| C22 | C18 | C14 | H16 | 178.5° | 179.7° |
| C18 | C22 | C25 | H20 | 1.8° | 0.1° |
| C15 | C21 | C22 | C26 | 179.4° | 179.9° |
| C15 | C21 | C22 | C25 | 179.0° | 179.9° |
| C15 | C21 | C26 | C24 | 179.7° | 180.0° |
| C15 | C21 | C26 | H11 | 0.3° | 0.1° |
| C19 | C20 | H7 | H8 | 120.0° | 120.0° |
| C19 | C20 | H7 | H9 | 120.0° | 120.0° |
| C19 | C20 | H8 | H9 | 120.0° | 120.0° |
| C20 | C19 | H18 | H19 | 119.5° | 120.0° |
| C21 | C22 | C25 | N23 | 0.2° | 0.0° |
| C22 | C21 | C26 | C24 | 0.3° | 0.1° |
| C22 | C21 | C15 | H3 | 179.7° | 180.0° |
| C22 | C21 | C26 | H11 | 179.7° | 180.0° |
| C21 | C22 | C18 | H17 | 178.1° | 179.8° |
| C21 | C22 | C25 | H20 | 179.8° | 180.0° |
| C25 | C22 | C21 | C26 | 0.4° | 0.0° |
| C22 | C25 | N23 | H20 | 180.0° | 180.0° |
| C22 | C25 | N23 | C24 | 0.8° | 0.0° |
| C25 | C22 | C18 | H17 | 0.1° | 0.3° |
| C21 | C26 | C24 | H11 | 180.0° | 179.9° |
| C21 | C26 | C24 | N23 | 1.3° | 0.1° |
| C26 | C21 | C15 | H3 | 0.3° | 0.1° |
| C21 | C26 | C24 | H10 | 178.7° | 180.0° |
| C25 | N23 | C24 | C26 | 1.6° | 0.0° |
| C25 | N23 | C24 | H10 | 178.4° | 179.9° |
| C26 | C24 | N23 | H10 | 180.0° | 179.9° |
| N23 | C24 | C26 | H11 | 178.7° | 180.0° |
| C24 | N23 | C25 | H20 | 179.2° | 180.0° |
| H1 | C4 | C8 | H2 | 0.1° | 0.0° |
| H4 | C17 | H5 | H6 | 120.0° | 120.0° |
| H7 | C20 | H8 | H9 | 120.0° | 120.0° |
| H7 | C20 | C19 | H18 | 59.9° | 60.0° |
| H7 | C20 | C19 | H19 | 59.8° | 180.0° |
| H8 | C20 | C19 | H18 | 179.8° | NaN° |
| H8 | C20 | C19 | H19 | 60.1° | 60.0° |
| H9 | C20 | C19 | H18 | 60.1° | 60.0° |
| H9 | C20 | C19 | H19 | 179.8° | 60.0° |
| H10 | C24 | C26 | H11 | 1.3° | 0.1° |
| H12 | C2 | N5 | H14 | 161.9° | 145.0° |
| H16 | C14 | C18 | H17 | 1.5° | 0.6° |
