8LP
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O1 | C23 | doub | 1.22Å | 1.22Å | |
| C19 | C23 | sing | 1.40Å | 1.47Å | |
| C19 | C22 | doub | 1.38Å | 1.33Å | |
| C23 | N3 | sing | 1.35Å | 1.36Å | |
| N1 | C22 | sing | 1.38Å | 1.36Å | |
| N1 | C24 | sing | 1.34Å | 1.37Å | |
| O2 | C24 | doub | 1.22Å | 1.23Å | |
| C1 | C3 | doub | 1.38Å | 1.37Å | Aromatic |
| C1 | C4 | sing | 1.38Å | 1.37Å | Aromatic |
| C3 | C8 | sing | 1.38Å | 1.38Å | Aromatic |
| C22 | C21 | sing | 1.41Å | 1.42Å | |
| C4 | C9 | doub | 1.38Å | 1.38Å | Aromatic |
| C24 | N2 | sing | 1.35Å | 1.37Å | |
| C8 | C15 | doub | 1.38Å | 1.37Å | Aromatic |
| C9 | C15 | sing | 1.38Å | 1.38Å | Aromatic |
| C15 | C26 | sing | 1.51Å | 1.50Å | |
| N3 | C26 | sing | 1.47Å | 1.44Å | |
| N3 | C20 | sing | 1.36Å | 1.37Å | |
| C21 | C20 | doub | 1.34Å | 1.33Å | |
| C21 | C25 | sing | 1.51Å | 1.48Å | |
| N2 | C25 | sing | 1.47Å | 1.45Å | |
| N2 | C17 | sing | 1.40Å | 1.39Å | |
| C17 | C12 | doub | 1.39Å | 1.37Å | Aromatic |
| C17 | C14 | sing | 1.39Å | 1.38Å | Aromatic |
| C12 | C7 | sing | 1.38Å | 1.37Å | Aromatic |
| C14 | C18 | doub | 1.39Å | 1.37Å | Aromatic |
| C7 | C13 | doub | 1.38Å | 1.37Å | Aromatic |
| C18 | C13 | sing | 1.39Å | 1.37Å | Aromatic |
| C18 | O3 | sing | 1.36Å | 1.38Å | |
| C27 | C16 | sing | 1.51Å | 1.50Å | |
| C27 | O3 | sing | 1.43Å | 1.41Å | |
| C11 | C16 | doub | 1.38Å | 1.38Å | Aromatic |
| C11 | C6 | sing | 1.38Å | 1.38Å | Aromatic |
| C16 | C10 | sing | 1.38Å | 1.37Å | Aromatic |
| C6 | C2 | doub | 1.38Å | 1.37Å | Aromatic |
| C10 | C5 | doub | 1.38Å | 1.38Å | Aromatic |
| C2 | C5 | sing | 1.38Å | 1.38Å | Aromatic |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| C4 | H2 | sing | 1.08Å | 1.08Å | |
| C5 | H3 | sing | 1.08Å | 1.08Å | |
| C6 | H4 | sing | 1.08Å | 1.08Å | |
| C7 | H5 | sing | 1.08Å | 1.08Å | |
| C8 | H6 | sing | 1.08Å | 1.08Å | |
| C10 | H7 | sing | 1.08Å | 1.08Å | |
| C13 | H8 | sing | 1.08Å | 1.08Å | |
| C20 | H9 | sing | 1.08Å | 1.08Å | |
| C26 | H10 | sing | 1.09Å | 1.10Å | |
| C26 | H11 | sing | 1.09Å | 1.10Å | |
| C1 | H12 | sing | 1.08Å | 1.08Å | |
| C2 | H13 | sing | 1.08Å | 1.08Å | |
| C3 | H14 | sing | 1.08Å | 1.08Å | |
| C9 | H15 | sing | 1.08Å | 1.08Å | |
| C11 | H16 | sing | 1.08Å | 1.08Å | |
| C12 | H17 | sing | 1.08Å | 1.08Å | |
| C14 | H18 | sing | 1.08Å | 1.08Å | |
| C19 | H19 | sing | 1.08Å | 1.08Å | |
| C25 | H20 | sing | 1.09Å | 1.10Å | |
| C25 | H21 | sing | 1.09Å | 1.10Å | |
| C27 | H22 | sing | 1.09Å | 1.10Å | |
| C27 | H23 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C23 | C19 | 122.3° | 119.8° |
| O1 | C23 | N3 | 122.2° | 119.8° |
| C23 | C19 | C22 | 120.3° | 118.8° |
| C19 | C23 | N3 | 115.5° | 120.5° |
| C23 | C19 | H19 | 119.9° | 120.5° |
| C19 | C22 | N1 | 122.4° | 121.3° |
| C19 | C22 | C21 | 120.5° | 118.7° |
| C22 | C19 | H19 | 119.8° | 120.6° |
| C23 | N3 | C26 | 115.5° | 119.5° |
| C23 | N3 | C20 | 123.4° | 121.1° |
| C22 | N1 | C24 | 126.5° | 123.0° |
| N1 | C22 | C21 | 117.1° | 119.9° |
| C22 | N1 | H1 | 116.7° | 118.5° |
| N1 | C24 | O2 | 122.5° | 118.4° |
| N1 | C24 | N2 | 117.3° | 123.3° |
| C24 | N1 | H1 | 116.7° | 118.5° |
| O2 | C24 | N2 | 120.3° | 118.3° |
| C3 | C1 | C4 | 119.0° | 120.0° |
| C1 | C3 | C8 | 120.7° | 120.0° |
| C3 | C1 | H12 | 120.5° | 120.0° |
| C1 | C3 | H14 | 119.7° | 120.0° |
| C1 | C4 | C9 | 120.0° | 120.0° |
| C1 | C4 | H2 | 120.0° | 120.0° |
| C4 | C1 | H12 | 120.5° | 120.0° |
| C3 | C8 | C15 | 120.8° | 120.0° |
| C3 | C8 | H6 | 119.6° | 120.0° |
| C8 | C3 | H14 | 119.7° | 120.0° |
| C22 | C21 | C20 | 119.4° | 120.5° |
| C22 | C21 | C25 | 117.6° | 117.7° |
| C4 | C9 | C15 | 121.4° | 120.0° |
| C9 | C4 | H2 | 120.0° | 120.0° |
| C4 | C9 | H15 | 119.3° | 120.0° |
| C24 | N2 | C25 | 120.2° | 119.3° |
| C24 | N2 | C17 | 121.2° | 120.3° |
| C8 | C15 | C9 | 118.1° | 120.0° |
| C8 | C15 | C26 | 120.8° | 120.0° |
| C15 | C8 | H6 | 119.6° | 120.0° |
| C9 | C15 | C26 | 121.1° | 120.0° |
| C15 | C9 | H15 | 119.3° | 120.0° |
| C15 | C26 | N3 | 109.3° | 109.5° |
| C15 | C26 | H10 | 109.5° | 109.5° |
| C15 | C26 | H11 | 109.5° | 109.5° |
| C26 | N3 | C20 | 121.1° | 119.4° |
| N3 | C26 | H10 | 109.5° | 109.4° |
| N3 | C26 | H11 | 109.5° | 109.5° |
| N3 | C20 | C21 | 120.8° | 120.4° |
| N3 | C20 | H9 | 119.6° | 119.8° |
| C20 | C21 | C25 | 123.0° | 121.8° |
| C21 | C20 | H9 | 119.6° | 119.8° |
| C21 | C25 | N2 | 117.3° | 116.7° |
| C21 | C25 | H20 | 107.5° | 108.0° |
| C21 | C25 | H21 | 107.5° | 108.0° |
| C25 | N2 | C17 | 116.9° | 120.4° |
| N2 | C25 | H20 | 107.5° | 108.0° |
| N2 | C25 | H21 | 107.5° | 108.0° |
| N2 | C17 | C12 | 116.1° | 120.0° |
| N2 | C17 | C14 | 122.2° | 120.0° |
| C12 | C17 | C14 | 121.8° | 119.9° |
| C17 | C12 | C7 | 119.2° | 120.0° |
| C17 | C12 | H17 | 120.4° | 120.0° |
| C17 | C14 | C18 | 118.3° | 119.8° |
| C17 | C14 | H18 | 120.8° | 120.1° |
| C12 | C7 | C13 | 119.6° | 120.1° |
| C12 | C7 | H5 | 120.2° | 119.9° |
| C7 | C12 | H17 | 120.4° | 120.0° |
| C14 | C18 | C13 | 120.3° | 119.9° |
| C14 | C18 | O3 | 123.1° | 120.0° |
| C18 | C14 | H18 | 120.9° | 120.1° |
| C7 | C13 | C18 | 120.9° | 120.1° |
| C13 | C7 | H5 | 120.2° | 120.0° |
| C7 | C13 | H8 | 119.6° | 119.9° |
| C13 | C18 | O3 | 116.7° | 120.1° |
| C18 | C13 | H8 | 119.6° | 119.9° |
| C18 | O3 | C27 | 108.2° | 117.0° |
| C16 | C27 | O3 | 108.8° | 109.5° |
| C27 | C16 | C11 | 120.4° | 120.0° |
| C27 | C16 | C10 | 120.8° | 120.0° |
| C16 | C27 | H22 | 109.7° | 109.5° |
| C16 | C27 | H23 | 109.6° | 109.5° |
| O3 | C27 | H22 | 109.6° | 109.4° |
| O3 | C27 | H23 | 109.7° | 109.4° |
| C16 | C11 | C6 | 121.5° | 120.0° |
| C11 | C16 | C10 | 118.9° | 120.0° |
| C16 | C11 | H16 | 119.3° | 120.1° |
| C11 | C6 | C2 | 119.0° | 120.0° |
| C11 | C6 | H4 | 120.5° | 120.0° |
| C6 | C11 | H16 | 119.2° | 120.0° |
| C16 | C10 | C5 | 120.3° | 120.0° |
| C16 | C10 | H7 | 119.8° | 120.0° |
| C6 | C2 | C5 | 120.3° | 120.0° |
| C2 | C6 | H4 | 120.5° | 120.0° |
| C6 | C2 | H13 | 119.8° | 120.0° |
| C10 | C5 | C2 | 120.0° | 120.0° |
| C10 | C5 | H3 | 120.0° | 120.0° |
| C5 | C10 | H7 | 119.8° | 120.0° |
| C2 | C5 | H3 | 120.0° | 120.0° |
| C5 | C2 | H13 | 119.8° | 119.9° |
| H10 | C26 | H11 | 109.5° | 109.5° |
| H20 | C25 | H21 | 109.4° | 107.8° |
| H22 | C27 | H23 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C23 | C19 | N3 | 179.9° | 180.0° |
| O1 | C23 | C19 | C22 | 179.8° | 180.0° |
| O1 | C23 | N3 | C26 | 1.3° | 0.0° |
| O1 | C23 | N3 | C20 | 179.4° | 180.0° |
| O1 | C23 | C19 | H19 | 0.2° | 0.1° |
| C23 | C19 | C22 | H19 | 180.0° | 179.9° |
| C23 | C19 | C22 | N1 | 179.9° | 180.0° |
| C23 | C19 | C22 | C21 | 0.1° | 0.0° |
| C19 | C23 | N3 | C26 | 178.7° | 180.0° |
| C19 | C23 | N3 | C20 | 0.6° | 0.0° |
| C22 | C19 | C23 | N3 | 0.2° | 0.0° |
| C19 | C22 | N1 | C21 | 179.8° | 180.0° |
| C19 | C22 | N1 | C24 | 163.9° | 180.0° |
| C19 | C22 | C21 | C20 | 0.1° | 0.0° |
| C19 | C22 | C21 | C25 | 179.9° | 180.0° |
| C19 | C22 | N1 | H1 | 16.1° | 0.3° |
| C23 | N3 | C26 | C15 | 82.5° | 90.0° |
| C23 | N3 | C26 | C20 | 179.3° | 180.0° |
| C23 | N3 | C20 | C21 | 0.7° | 0.0° |
| C23 | N3 | C20 | H9 | 179.3° | 180.0° |
| C23 | N3 | C26 | H10 | 37.5° | 30.0° |
| C23 | N3 | C26 | H11 | 157.5° | 150.0° |
| N3 | C23 | C19 | H19 | 179.8° | 179.9° |
| C22 | N1 | C24 | H1 | 180.0° | 179.7° |
| C22 | N1 | C24 | O2 | 166.5° | 180.0° |
| C22 | N1 | C24 | N2 | 14.4° | 0.0° |
| N1 | C22 | C21 | C20 | 179.9° | 180.0° |
| N1 | C22 | C21 | C25 | 0.1° | 0.0° |
| N1 | C22 | C19 | H19 | 0.1° | 0.0° |
| N1 | C24 | O2 | N2 | 179.1° | 179.9° |
| C24 | N1 | C22 | C21 | 16.3° | 0.0° |
| N1 | C24 | N2 | C25 | 4.0° | 0.0° |
| N1 | C24 | N2 | C17 | 168.6° | 180.0° |
| O2 | C24 | N2 | C25 | 175.1° | 180.0° |
| O2 | C24 | N2 | C17 | 10.6° | 0.1° |
| O2 | C24 | N1 | H1 | 13.5° | 0.3° |
| C3 | C1 | C4 | H12 | 180.0° | 179.9° |
| C1 | C3 | C8 | H14 | 180.0° | 179.9° |
| C3 | C1 | C4 | C9 | 0.2° | 0.0° |
| C1 | C3 | C8 | C15 | 0.1° | 0.3° |
| C3 | C1 | C4 | H2 | 179.8° | 179.8° |
| C1 | C3 | C8 | H6 | 179.9° | 179.7° |
| C4 | C1 | C3 | C8 | 0.1° | 0.1° |
| C1 | C4 | C9 | H2 | 180.0° | 179.9° |
| C1 | C4 | C9 | C15 | 0.1° | 0.2° |
| C4 | C1 | C3 | H14 | 179.9° | 180.0° |
| C1 | C4 | C9 | H15 | 179.9° | 179.7° |
| C3 | C8 | C15 | H6 | 180.0° | 179.4° |
| C3 | C8 | C15 | C9 | 0.3° | 0.5° |
| C3 | C8 | C15 | C26 | 179.5° | 179.4° |
| C8 | C3 | C1 | H12 | 179.8° | 180.0° |
| C22 | C21 | C20 | N3 | 0.3° | 0.0° |
| C22 | C21 | C20 | C25 | 179.9° | 180.0° |
| C22 | C21 | C25 | N2 | 15.9° | 0.1° |
| C21 | C22 | N1 | H1 | 163.7° | 179.8° |
| C22 | C21 | C20 | H9 | 179.7° | 180.0° |
| C21 | C22 | C19 | H19 | 179.9° | 179.9° |
| C22 | C21 | C25 | H20 | 105.3° | 121.8° |
| C22 | C21 | C25 | H21 | 137.0° | 121.8° |
| C4 | C9 | C15 | C8 | 0.3° | 0.4° |
| C4 | C9 | C15 | H15 | 180.0° | 179.9° |
| C4 | C9 | C15 | C26 | 179.5° | 179.5° |
| C9 | C4 | C1 | H12 | 179.8° | 179.9° |
| C24 | N2 | C25 | C21 | 18.2° | 0.1° |
| C24 | N2 | C25 | C17 | 165.2° | 179.9° |
| C24 | N2 | C17 | C12 | 65.6° | 89.8° |
| C24 | N2 | C17 | C14 | 113.5° | 89.7° |
| N2 | C24 | N1 | H1 | 165.6° | 179.8° |
| C24 | N2 | C25 | H20 | 102.9° | 121.8° |
| C24 | N2 | C25 | H21 | 139.4° | 121.8° |
| C8 | C15 | C9 | C26 | 179.8° | 180.0° |
| C8 | C15 | C26 | N3 | 149.1° | 90.0° |
| C8 | C15 | C26 | H10 | 29.1° | 30.0° |
| C8 | C15 | C26 | H11 | 90.9° | 150.0° |
| C15 | C8 | C3 | H14 | 179.9° | 179.7° |
| C8 | C15 | C9 | H15 | 179.7° | 179.5° |
| C9 | C15 | C26 | N3 | 31.1° | 90.0° |
| C15 | C9 | C4 | H2 | 179.9° | 180.0° |
| C9 | C15 | C8 | H6 | 179.7° | 179.9° |
| C9 | C15 | C26 | H10 | 151.1° | 150.0° |
| C9 | C15 | C26 | H11 | 88.9° | 30.0° |
| C15 | C26 | N3 | H10 | 120.0° | 120.0° |
| C15 | C26 | N3 | H11 | 120.0° | 120.1° |
| C15 | C26 | N3 | C20 | 96.8° | 90.0° |
| C26 | C15 | C8 | H6 | 0.5° | 0.0° |
| C15 | C26 | H10 | H11 | 120.1° | 120.1° |
| C26 | C15 | C9 | H15 | 0.5° | 0.6° |
| C26 | N3 | C20 | C21 | 178.6° | 180.0° |
| C26 | N3 | C20 | H9 | 1.4° | 0.0° |
| N3 | C26 | H10 | H11 | 120.1° | 120.0° |
| N3 | C20 | C21 | H9 | 180.0° | 180.0° |
| N3 | C20 | C21 | C25 | 179.7° | 180.0° |
| C20 | N3 | C26 | H10 | 143.2° | 150.0° |
| C20 | N3 | C26 | H11 | 23.2° | 30.1° |
| C20 | C21 | C25 | N2 | 164.2° | 180.0° |
| C20 | C21 | C25 | H20 | 74.7° | 58.2° |
| C20 | C21 | C25 | H21 | 43.0° | 58.2° |
| C21 | C25 | N2 | H20 | 121.2° | 121.8° |
| C21 | C25 | N2 | H21 | 121.1° | 121.9° |
| C21 | C25 | N2 | C17 | 176.5° | 180.0° |
| C25 | C21 | C20 | H9 | 0.3° | 0.0° |
| C21 | C25 | H20 | H21 | 116.4° | 116.5° |
| C25 | N2 | C17 | C12 | 99.5° | 90.3° |
| C25 | N2 | C17 | C14 | 81.4° | 90.2° |
| N2 | C25 | H20 | H21 | 116.4° | 116.5° |
| N2 | C17 | C12 | C14 | 179.1° | 179.5° |
| N2 | C17 | C12 | C7 | 179.4° | 179.9° |
| N2 | C17 | C14 | C18 | 179.3° | 179.7° |
| N2 | C17 | C12 | H17 | 0.6° | 0.0° |
| N2 | C17 | C14 | H18 | 0.7° | 0.5° |
| C17 | N2 | C25 | H20 | 62.3° | 58.2° |
| C17 | N2 | C25 | H21 | 55.4° | 58.1° |
| C17 | C12 | C7 | H17 | 180.0° | 180.0° |
| C12 | C17 | C14 | C18 | 0.2° | 0.8° |
| C17 | C12 | C7 | C13 | 0.4° | 0.0° |
| C17 | C12 | C7 | H5 | 179.5° | 179.8° |
| C12 | C17 | C14 | H18 | 179.8° | 180.0° |
| C14 | C17 | C12 | C7 | 0.3° | 0.6° |
| C17 | C14 | C18 | H18 | 180.0° | 179.2° |
| C17 | C14 | C18 | C13 | 0.3° | 0.5° |
| C17 | C14 | C18 | O3 | 179.8° | 179.9° |
| C14 | C17 | C12 | H17 | 179.7° | 179.5° |
| C12 | C7 | C13 | H5 | 180.0° | 179.8° |
| C12 | C7 | C13 | C18 | 0.5° | 0.2° |
| C12 | C7 | C13 | H8 | 179.5° | 179.8° |
| C14 | C18 | C13 | C7 | 0.4° | 0.0° |
| C14 | C18 | C13 | O3 | 179.5° | 179.4° |
| C14 | C18 | O3 | C27 | 8.0° | 180.0° |
| C14 | C18 | C13 | H8 | 179.6° | 180.0° |
| C7 | C13 | C18 | H8 | 180.0° | 180.0° |
| C7 | C13 | C18 | O3 | 179.9° | 179.4° |
| C13 | C7 | C12 | H17 | 179.6° | 180.0° |
| C13 | C18 | O3 | C27 | 172.5° | 0.6° |
| C18 | C13 | C7 | H5 | 179.5° | 180.0° |
| C13 | C18 | C14 | H18 | 179.7° | 179.7° |
| C18 | O3 | C27 | C16 | 172.3° | 180.0° |
| O3 | C18 | C13 | H8 | 0.1° | 0.6° |
| O3 | C18 | C14 | H18 | 0.3° | 0.9° |
| C18 | O3 | C27 | H22 | 52.4° | 60.0° |
| C18 | O3 | C27 | H23 | 67.8° | 60.0° |
| C16 | C27 | O3 | H22 | 119.9° | 120.0° |
| C16 | C27 | O3 | H23 | 119.9° | 120.0° |
| C27 | C16 | C11 | C10 | 179.7° | 179.7° |
| C27 | C16 | C11 | C6 | 179.6° | 180.0° |
| C27 | C16 | C10 | C5 | 179.7° | 179.7° |
| C27 | C16 | C10 | H7 | 0.3° | 0.3° |
| C27 | C16 | C11 | H16 | 0.4° | 0.3° |
| C16 | C27 | H22 | H23 | 120.3° | 120.0° |
| O3 | C27 | C16 | C11 | 169.0° | 90.0° |
| O3 | C27 | C16 | C10 | 11.3° | 89.7° |
| O3 | C27 | H22 | H23 | 120.3° | 119.9° |
| C16 | C11 | C6 | H16 | 180.0° | 179.7° |
| C16 | C11 | C6 | C2 | 0.1° | 0.4° |
| C11 | C16 | C10 | C5 | 0.1° | 0.0° |
| C16 | C11 | C6 | H4 | 179.9° | 179.7° |
| C11 | C16 | C10 | H7 | 180.0° | 180.0° |
| C11 | C16 | C27 | H22 | 71.1° | 150.0° |
| C11 | C16 | C27 | H23 | 49.1° | 30.0° |
| C6 | C11 | C16 | C10 | 0.1° | 0.3° |
| C11 | C6 | C2 | H4 | 180.0° | 180.0° |
| C11 | C6 | C2 | C5 | 0.0° | 0.1° |
| C11 | C6 | C2 | H13 | 180.0° | 180.0° |
| C16 | C10 | C5 | H7 | 180.0° | 180.0° |
| C16 | C10 | C5 | C2 | 0.1° | 0.3° |
| C16 | C10 | C5 | H3 | 179.9° | 179.9° |
| C10 | C16 | C11 | H16 | 180.0° | 180.0° |
| C10 | C16 | C27 | H22 | 108.6° | 30.3° |
| C10 | C16 | C27 | H23 | 131.2° | 150.3° |
| C6 | C2 | C5 | C10 | 0.1° | 0.2° |
| C6 | C2 | C5 | H13 | 180.0° | 180.0° |
| C6 | C2 | C5 | H3 | 179.9° | 180.0° |
| C2 | C6 | C11 | H16 | 179.9° | 180.0° |
| C10 | C5 | C2 | H3 | 180.0° | 179.8° |
| C10 | C5 | C2 | H13 | 179.9° | 179.7° |
| C5 | C2 | C6 | H4 | 180.0° | 180.0° |
| C2 | C5 | C10 | H7 | 179.9° | 179.7° |
| H2 | C4 | C1 | H12 | 0.2° | 0.2° |
| H2 | C4 | C9 | H15 | 0.0° | 0.1° |
| H3 | C5 | C10 | H7 | 0.1° | 0.0° |
| H3 | C5 | C2 | H13 | 0.1° | 0.0° |
| H4 | C6 | C2 | H13 | 0.0° | 0.0° |
| H4 | C6 | C11 | H16 | 0.1° | 0.0° |
| H5 | C7 | C13 | H8 | 0.5° | 0.0° |
| H5 | C7 | C12 | H17 | 0.4° | 0.2° |
| H6 | C8 | C3 | H14 | 0.1° | 0.3° |
| H12 | C1 | C3 | H14 | 0.1° | 0.1° |






