L90
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O3 | C16 | doub | 1.22Å | 1.25Å | |
| N4 | C16 | sing | 1.35Å | 1.35Å | |
| N4 | C17 | sing | 1.34Å | 1.36Å | |
| C16 | C3 | sing | 1.41Å | 1.39Å | |
| O2 | C17 | doub | 1.22Å | 1.25Å | |
| C17 | N5 | sing | 1.35Å | 1.35Å | |
| C3 | N2 | sing | 1.39Å | 1.37Å | Aromatic |
| C3 | C2 | doub | 1.39Å | 1.39Å | Aromatic |
| C4 | N2 | sing | 1.38Å | 1.39Å | Aromatic |
| C4 | C5 | doub | 1.35Å | 1.43Å | Aromatic |
| C26 | C11 | sing | 1.51Å | 1.51Å | |
| N2 | C1 | sing | 1.36Å | 1.33Å | Aromatic |
| N5 | C2 | sing | 1.39Å | 1.34Å | |
| N5 | C18 | sing | 1.46Å | 1.47Å | |
| C2 | N1 | sing | 1.33Å | 1.38Å | Aromatic |
| C11 | C12 | doub | 1.39Å | 1.39Å | Aromatic |
| C11 | C10 | sing | 1.39Å | 1.39Å | Aromatic |
| C5 | C10 | sing | 1.48Å | 1.50Å | |
| C5 | N3 | sing | 1.39Å | 1.37Å | Aromatic |
| C12 | C13 | sing | 1.38Å | 1.38Å | Aromatic |
| C10 | C15 | doub | 1.41Å | 1.40Å | Aromatic |
| C1 | N1 | doub | 1.33Å | 1.40Å | Aromatic |
| C1 | N3 | sing | 1.37Å | 1.38Å | Aromatic |
| C13 | C14 | doub | 1.39Å | 1.39Å | Aromatic |
| C15 | C14 | sing | 1.41Å | 1.38Å | Aromatic |
| C15 | C29 | sing | 1.41Å | 1.43Å | Aromatic |
| N3 | C6 | sing | 1.46Å | 1.47Å | |
| C14 | N27 | sing | 1.37Å | 1.34Å | Aromatic |
| C29 | N28 | doub | 1.30Å | 1.35Å | Aromatic |
| N27 | N28 | sing | 1.40Å | 1.41Å | Aromatic |
| C6 | C7 | sing | 1.53Å | 1.52Å | |
| C8 | C9 | sing | 1.53Å | 1.51Å | |
| C8 | C7 | sing | 1.53Å | 1.52Å | |
| N4 | H1 | sing | 0.97Å | 1.00Å | |
| C4 | H2 | sing | 1.08Å | 1.08Å | |
| C6 | H3 | sing | 1.09Å | 1.10Å | |
| C6 | H4 | sing | 1.09Å | 1.10Å | |
| C7 | H5 | sing | 1.09Å | 1.10Å | |
| C7 | H6 | sing | 1.09Å | 1.10Å | |
| C8 | H7 | sing | 1.09Å | 1.10Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| C9 | H9 | sing | 1.09Å | 1.10Å | |
| C9 | H10 | sing | 1.09Å | 1.10Å | |
| C9 | H11 | sing | 1.09Å | 1.10Å | |
| C18 | H12 | sing | 1.09Å | 1.10Å | |
| C18 | H13 | sing | 1.09Å | 1.10Å | |
| C18 | H14 | sing | 1.09Å | 1.10Å | |
| C29 | H15 | sing | 1.08Å | 1.08Å | |
| C13 | H17 | sing | 1.08Å | 1.08Å | |
| C12 | H18 | sing | 1.08Å | 1.08Å | |
| C26 | H19 | sing | 1.09Å | 1.10Å | |
| C26 | H20 | sing | 1.09Å | 1.10Å | |
| C26 | H21 | sing | 1.09Å | 1.10Å | |
| N27 | H16 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O3 | C16 | N4 | 121.1° | 120.4° |
| O3 | C16 | C3 | 121.8° | 120.3° |
| C16 | N4 | C17 | 121.6° | 121.1° |
| N4 | C16 | C3 | 117.1° | 119.3° |
| C16 | N4 | H1 | 119.2° | 119.5° |
| N4 | C17 | O2 | 119.3° | 119.1° |
| N4 | C17 | N5 | 121.4° | 121.6° |
| C17 | N4 | H1 | 119.2° | 119.4° |
| C16 | C3 | N2 | 132.1° | 134.4° |
| C16 | C3 | C2 | 120.1° | 119.2° |
| O2 | C17 | N5 | 119.3° | 119.3° |
| C17 | N5 | C2 | 118.7° | 120.0° |
| C17 | N5 | C18 | 120.7° | 120.0° |
| N2 | C3 | C2 | 107.8° | 106.4° |
| C3 | N2 | C4 | 141.9° | 144.8° |
| C3 | N2 | C1 | 105.8° | 106.8° |
| C3 | C2 | N5 | 121.0° | 118.8° |
| C3 | C2 | N1 | 110.4° | 107.6° |
| N2 | C4 | C5 | 102.3° | 108.2° |
| C4 | N2 | C1 | 112.3° | 108.4° |
| N2 | C4 | H2 | 128.8° | 125.9° |
| C4 | C5 | C10 | 127.5° | 126.0° |
| C4 | C5 | N3 | 109.9° | 107.9° |
| C5 | C4 | H2 | 128.8° | 125.9° |
| C26 | C11 | C12 | 117.8° | 119.8° |
| C26 | C11 | C10 | 121.9° | 119.8° |
| C11 | C26 | H19 | 109.5° | 109.5° |
| C11 | C26 | H20 | 109.5° | 109.5° |
| C11 | C26 | H21 | 109.5° | 109.5° |
| N2 | C1 | N1 | 114.4° | 109.2° |
| N2 | C1 | N3 | 108.6° | 107.7° |
| C2 | N5 | C18 | 120.6° | 120.0° |
| N5 | C2 | N1 | 128.6° | 133.6° |
| N5 | C18 | H12 | 109.5° | 109.5° |
| N5 | C18 | H13 | 109.5° | 109.5° |
| N5 | C18 | H14 | 109.5° | 109.5° |
| C2 | N1 | C1 | 101.6° | 109.9° |
| C12 | C11 | C10 | 120.3° | 120.4° |
| C11 | C12 | C13 | 120.3° | 120.7° |
| C11 | C12 | H18 | 119.9° | 119.6° |
| C11 | C10 | C5 | 121.3° | 120.3° |
| C11 | C10 | C15 | 119.4° | 119.4° |
| C10 | C5 | N3 | 122.6° | 126.0° |
| C5 | C10 | C15 | 119.3° | 120.3° |
| C5 | N3 | C1 | 106.8° | 107.8° |
| C5 | N3 | C6 | 136.5° | 126.1° |
| C12 | C13 | C14 | 119.2° | 120.2° |
| C12 | C13 | H17 | 120.4° | 119.9° |
| C13 | C12 | H18 | 119.8° | 119.7° |
| C10 | C15 | C14 | 119.5° | 119.5° |
| C10 | C15 | C29 | 130.0° | 133.6° |
| N1 | C1 | N3 | 137.0° | 143.1° |
| C1 | N3 | C6 | 116.5° | 126.1° |
| C13 | C14 | C15 | 121.3° | 119.8° |
| C13 | C14 | N27 | 132.7° | 133.6° |
| C14 | C13 | H17 | 120.4° | 120.0° |
| C14 | C15 | C29 | 110.4° | 107.0° |
| C15 | C14 | N27 | 106.0° | 106.6° |
| C15 | C29 | N28 | 104.5° | 108.7° |
| C15 | C29 | H15 | 127.7° | 125.6° |
| N3 | C6 | C7 | 113.7° | 109.4° |
| N3 | C6 | H3 | 108.4° | 109.5° |
| N3 | C6 | H4 | 108.4° | 109.5° |
| C14 | N27 | N28 | 109.7° | 108.0° |
| C14 | N27 | H16 | 125.1° | 126.0° |
| C29 | N28 | N27 | 109.3° | 109.7° |
| N28 | C29 | H15 | 127.7° | 125.7° |
| N28 | N27 | H16 | 125.2° | 126.0° |
| C6 | C7 | C8 | 113.6° | 109.5° |
| C7 | C6 | H3 | 108.4° | 109.5° |
| C7 | C6 | H4 | 108.4° | 109.5° |
| C6 | C7 | H5 | 108.4° | 109.5° |
| C6 | C7 | H6 | 108.5° | 109.5° |
| C9 | C8 | C7 | 109.3° | 109.5° |
| C9 | C8 | H7 | 109.5° | 109.5° |
| C9 | C8 | H8 | 109.5° | 109.5° |
| C8 | C9 | H9 | 109.5° | 109.4° |
| C8 | C9 | H10 | 109.5° | 109.4° |
| C8 | C9 | H11 | 109.5° | 109.4° |
| C8 | C7 | H5 | 108.4° | 109.5° |
| C8 | C7 | H6 | 108.4° | 109.5° |
| C7 | C8 | H7 | 109.5° | 109.5° |
| C7 | C8 | H8 | 109.5° | 109.5° |
| H3 | C6 | H4 | 109.5° | 109.5° |
| H5 | C7 | H6 | 109.5° | 109.5° |
| H7 | C8 | H8 | 109.4° | 109.5° |
| H9 | C9 | H10 | 109.5° | 109.5° |
| H9 | C9 | H11 | 109.4° | 109.5° |
| H10 | C9 | H11 | 109.5° | 109.5° |
| H12 | C18 | H13 | 109.5° | 109.5° |
| H12 | C18 | H14 | 109.4° | 109.5° |
| H13 | C18 | H14 | 109.4° | 109.4° |
| H19 | C26 | H20 | 109.5° | 109.5° |
| H19 | C26 | H21 | 109.5° | 109.5° |
| H20 | C26 | H21 | 109.4° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O3 | C16 | N4 | C3 | 179.7° | 179.7° |
| O3 | C16 | N4 | C17 | 179.5° | 180.0° |
| O3 | C16 | C3 | N2 | 0.3° | 0.0° |
| O3 | C16 | C3 | C2 | 180.0° | 180.0° |
| O3 | C16 | N4 | H1 | 0.5° | 0.0° |
| C16 | N4 | C17 | H1 | 180.0° | 180.0° |
| C16 | N4 | C17 | O2 | 179.5° | 180.0° |
| C16 | N4 | C17 | N5 | 0.9° | 0.0° |
| N4 | C16 | C3 | N2 | 179.3° | 179.7° |
| N4 | C16 | C3 | C2 | 0.4° | 0.3° |
| C17 | N4 | C16 | C3 | 0.9° | 0.3° |
| N4 | C17 | O2 | N5 | 179.6° | 180.0° |
| N4 | C17 | N5 | C2 | 0.4° | 0.2° |
| N4 | C17 | N5 | C18 | 179.7° | 179.9° |
| C16 | C3 | N2 | C2 | 179.8° | 180.0° |
| C16 | C3 | N2 | C4 | 0.6° | 0.1° |
| C16 | C3 | N2 | C1 | 179.8° | 180.0° |
| C16 | C3 | C2 | N5 | 0.1° | 0.1° |
| C16 | C3 | C2 | N1 | 179.9° | 180.0° |
| C3 | C16 | N4 | H1 | 179.1° | 179.7° |
| O2 | C17 | N5 | C2 | 179.9° | 179.8° |
| O2 | C17 | N5 | C18 | 0.2° | 0.1° |
| O2 | C17 | N4 | H1 | 0.5° | 0.0° |
| C17 | N5 | C2 | C3 | 0.1° | 0.2° |
| C17 | N5 | C2 | C18 | 179.9° | 179.9° |
| C17 | N5 | C2 | N1 | 179.9° | 179.7° |
| N5 | C17 | N4 | H1 | 179.1° | 180.0° |
| C17 | N5 | C18 | H12 | 180.0° | 90.2° |
| C17 | N5 | C18 | H13 | 60.0° | 29.8° |
| C17 | N5 | C18 | H14 | 60.0° | 149.8° |
| C3 | N2 | C4 | C1 | 179.6° | 179.9° |
| C3 | N2 | C4 | C5 | 179.6° | 179.9° |
| N2 | C3 | C2 | N5 | 179.9° | 179.9° |
| N2 | C3 | C2 | N1 | 0.3° | 0.0° |
| C3 | N2 | C1 | N1 | 0.2° | 0.0° |
| C3 | N2 | C1 | N3 | 178.8° | 179.9° |
| C3 | N2 | C4 | H2 | 0.4° | 0.1° |
| C2 | C3 | N2 | C4 | 179.6° | 179.9° |
| C2 | C3 | N2 | C1 | 0.1° | 0.0° |
| C3 | C2 | N5 | N1 | 179.8° | 179.9° |
| C3 | C2 | N5 | C18 | 179.8° | 179.9° |
| C3 | C2 | N1 | C1 | 0.4° | 0.0° |
| N2 | C4 | C5 | H2 | 180.0° | 179.9° |
| N2 | C4 | C5 | C10 | 179.2° | 180.0° |
| N2 | C4 | C5 | N3 | 1.0° | 0.1° |
| C4 | N2 | C1 | N1 | 179.5° | 180.0° |
| C4 | N2 | C1 | N3 | 0.9° | 0.0° |
| C5 | C4 | N2 | C1 | 0.0° | 0.0° |
| C4 | C5 | C10 | C11 | 67.4° | 75.6° |
| C4 | C5 | C10 | N3 | 179.8° | 180.0° |
| C4 | C5 | C10 | C15 | 115.4° | 104.1° |
| C4 | C5 | N3 | C1 | 1.5° | 0.1° |
| C4 | C5 | N3 | C6 | 177.6° | 180.0° |
| C26 | C11 | C12 | C10 | 179.2° | 179.4° |
| C26 | C11 | C10 | C5 | 2.3° | 0.3° |
| C26 | C11 | C12 | C13 | 179.7° | 180.0° |
| C26 | C11 | C10 | C15 | 179.5° | 180.0° |
| C26 | C11 | C12 | H18 | 0.3° | 0.3° |
| C11 | C26 | H19 | H20 | 120.0° | 120.0° |
| C11 | C26 | H19 | H21 | 120.0° | 120.0° |
| C11 | C26 | H20 | H21 | 120.0° | 119.9° |
| N2 | C1 | N1 | C2 | 0.4° | 0.0° |
| N2 | C1 | N3 | C5 | 1.5° | 0.1° |
| N2 | C1 | N1 | N3 | 178.1° | 179.9° |
| N2 | C1 | N3 | C6 | 178.5° | 179.9° |
| C1 | N2 | C4 | H2 | 180.0° | 180.0° |
| N5 | C2 | N1 | C1 | 179.8° | 179.9° |
| C2 | N5 | C18 | H12 | 0.1° | 90.0° |
| C2 | N5 | C18 | H13 | 120.1° | 150.0° |
| C2 | N5 | C18 | H14 | 119.9° | 30.1° |
| C18 | N5 | C2 | N1 | 0.0° | 0.2° |
| N5 | C18 | H12 | H13 | 120.0° | 120.0° |
| N5 | C18 | H12 | H14 | 120.0° | 120.0° |
| N5 | C18 | H13 | H14 | 120.0° | 120.0° |
| C2 | N1 | C1 | N3 | 178.4° | 179.9° |
| C12 | C11 | C10 | C5 | 178.5° | 179.7° |
| C11 | C12 | C13 | H18 | 180.0° | 179.7° |
| C12 | C11 | C10 | C15 | 1.3° | 0.6° |
| C11 | C12 | C13 | C14 | 0.1° | 0.3° |
| C11 | C12 | C13 | H17 | 179.9° | 179.7° |
| C12 | C11 | C26 | H19 | 89.6° | 95.5° |
| C12 | C11 | C26 | H20 | 150.4° | 144.5° |
| C12 | C11 | C26 | H21 | 30.4° | 24.6° |
| C11 | C10 | C5 | C15 | 177.2° | 179.7° |
| C11 | C10 | C5 | N3 | 112.8° | 104.4° |
| C10 | C11 | C12 | C13 | 0.5° | 0.6° |
| C11 | C10 | C15 | C14 | 1.6° | 0.2° |
| C11 | C10 | C15 | C29 | 179.8° | 179.7° |
| C10 | C11 | C12 | H18 | 179.5° | 179.7° |
| C10 | C11 | C26 | H19 | 89.5° | 85.1° |
| C10 | C11 | C26 | H20 | 30.5° | 34.9° |
| C10 | C11 | C26 | H21 | 150.4° | 154.8° |
| C10 | C5 | N3 | C1 | 178.6° | 179.9° |
| C5 | C10 | C15 | C14 | 178.8° | 180.0° |
| C5 | C10 | C15 | C29 | 2.6° | 0.1° |
| C10 | C5 | N3 | C6 | 2.5° | 0.1° |
| C10 | C5 | C4 | H2 | 0.8° | 0.0° |
| N3 | C5 | C10 | C15 | 64.4° | 75.9° |
| C5 | N3 | C1 | N1 | 179.6° | 180.0° |
| C5 | N3 | C1 | C6 | 177.0° | 179.9° |
| C5 | N3 | C6 | C7 | 83.0° | 94.7° |
| N3 | C5 | C4 | H2 | 179.0° | 180.0° |
| C5 | N3 | C6 | H3 | 37.6° | 145.3° |
| C5 | N3 | C6 | H4 | 156.4° | 25.3° |
| C12 | C13 | C14 | H17 | 180.0° | 180.0° |
| C12 | C13 | C14 | C15 | 0.1° | 0.1° |
| C12 | C13 | C14 | N27 | 179.8° | 180.0° |
| C10 | C15 | C14 | C13 | 1.0° | 0.1° |
| C10 | C15 | C14 | C29 | 178.9° | 179.9° |
| C10 | C15 | C14 | N27 | 179.3° | 180.0° |
| C10 | C15 | C29 | N28 | 179.2° | 180.0° |
| C10 | C15 | C29 | H15 | 0.8° | 0.1° |
| N1 | C1 | N3 | C6 | 3.4° | 0.2° |
| C1 | N3 | C6 | C7 | 101.2° | 85.4° |
| C1 | N3 | C6 | H3 | 138.2° | 34.6° |
| C1 | N3 | C6 | H4 | 19.5° | 154.6° |
| C13 | C14 | C15 | N27 | 179.8° | 179.9° |
| C13 | C14 | C15 | C29 | 179.8° | 180.0° |
| C13 | C14 | N27 | N28 | 179.9° | 179.9° |
| C14 | C13 | C12 | H18 | 179.9° | 180.0° |
| C13 | C14 | N27 | H16 | 0.1° | 0.0° |
| C14 | C15 | C29 | N28 | 0.5° | 0.1° |
| C15 | C14 | N27 | N28 | 0.2° | 0.0° |
| C14 | C15 | C29 | H15 | 179.5° | 180.0° |
| C15 | C14 | C13 | H17 | 179.9° | 179.9° |
| C15 | C14 | N27 | H16 | 179.8° | 179.9° |
| C29 | C15 | C14 | N27 | 0.4° | 0.1° |
| C15 | C29 | N28 | H15 | 180.0° | 179.9° |
| C15 | C29 | N28 | N27 | 0.3° | 0.1° |
| N3 | C6 | C7 | H3 | 120.6° | 120.0° |
| N3 | C6 | C7 | H4 | 120.6° | 120.0° |
| N3 | C6 | C7 | C8 | 46.6° | 177.1° |
| N3 | C6 | H3 | H4 | 118.1° | 120.0° |
| N3 | C6 | C7 | H5 | 74.0° | 57.1° |
| N3 | C6 | C7 | H6 | 167.2° | 62.9° |
| C14 | N27 | N28 | C29 | 0.1° | 0.0° |
| C14 | N27 | N28 | H16 | 180.0° | 179.9° |
| N27 | C14 | C13 | H17 | 0.2° | 0.1° |
| C29 | N28 | N27 | H16 | 179.9° | 180.0° |
| N27 | N28 | C29 | H15 | 179.7° | 180.0° |
| C6 | C7 | C8 | C9 | 162.8° | NaN° |
| C6 | C7 | C8 | H5 | 120.6° | 120.0° |
| C6 | C7 | C8 | H6 | 120.6° | 120.0° |
| C7 | C6 | H3 | H4 | 118.1° | 120.0° |
| C6 | C7 | H5 | H6 | 118.2° | 120.0° |
| C6 | C7 | C8 | H7 | 42.8° | 60.0° |
| C6 | C7 | C8 | H8 | 77.2° | 60.0° |
| C9 | C8 | C7 | H7 | 120.0° | 120.0° |
| C9 | C8 | C7 | H8 | 120.0° | 120.0° |
| C9 | C8 | C7 | H5 | 42.2° | 60.0° |
| C9 | C8 | C7 | H6 | 76.6° | 60.0° |
| C9 | C8 | H7 | H8 | 120.1° | 120.0° |
| C8 | C9 | H9 | H10 | 120.0° | 119.9° |
| C8 | C9 | H9 | H11 | 120.0° | 120.0° |
| C8 | C9 | H10 | H11 | 120.0° | 119.9° |
| C8 | C7 | C6 | H3 | 167.2° | 63.0° |
| C8 | C7 | C6 | H4 | 74.1° | 57.1° |
| C8 | C7 | H5 | H6 | 118.1° | 120.0° |
| C7 | C8 | H7 | H8 | 120.1° | 120.0° |
| C7 | C8 | C9 | H9 | 180.0° | 60.0° |
| C7 | C8 | C9 | H10 | 60.0° | 180.0° |
| C7 | C8 | C9 | H11 | 60.0° | 60.0° |
| H3 | C6 | C7 | H5 | 46.6° | 177.0° |
| H3 | C6 | C7 | H6 | 72.2° | 57.0° |
| H4 | C6 | C7 | H5 | 165.4° | 62.9° |
| H4 | C6 | C7 | H6 | 46.6° | 177.1° |
| H5 | C7 | C8 | H7 | 77.8° | 180.0° |
| H5 | C7 | C8 | H8 | 162.2° | 60.0° |
| H6 | C7 | C8 | H7 | 163.4° | 60.0° |
| H6 | C7 | C8 | H8 | 43.4° | 180.0° |
| H7 | C8 | C9 | H9 | 60.0° | 60.0° |
| H7 | C8 | C9 | H10 | 60.0° | 60.0° |
| H7 | C8 | C9 | H11 | 180.0° | 180.0° |
| H8 | C8 | C9 | H9 | 60.0° | 180.0° |
| H8 | C8 | C9 | H10 | 180.0° | 60.0° |
| H8 | C8 | C9 | H11 | 60.0° | 60.0° |
| H9 | C9 | H10 | H11 | 120.0° | 120.1° |
| H12 | C18 | H13 | H14 | 119.9° | 120.0° |
| H17 | C13 | C12 | H18 | 0.1° | 0.0° |
| H19 | C26 | H20 | H21 | 120.0° | 120.0° |
