L66
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C35 | C36 | doub | 1.38Å | 1.38Å | Aromatic |
| C35 | C34 | sing | 1.38Å | 1.39Å | Aromatic |
| C36 | C37 | sing | 1.39Å | 1.39Å | Aromatic |
| C34 | C33 | doub | 1.38Å | 1.39Å | Aromatic |
| C37 | O38 | sing | 1.36Å | 1.37Å | |
| C37 | C32 | doub | 1.39Å | 1.49Å | Aromatic |
| C33 | C32 | sing | 1.39Å | 1.39Å | Aromatic |
| C39 | O38 | sing | 1.43Å | 1.43Å | |
| C32 | N3 | sing | 1.40Å | 1.33Å | |
| O41 | C14 | sing | 1.36Å | 1.36Å | |
| C14 | C15 | doub | 1.38Å | 1.39Å | Aromatic |
| C14 | C13 | sing | 1.39Å | 1.39Å | Aromatic |
| N3 | C1 | sing | 1.37Å | 1.37Å | Aromatic |
| N3 | C5 | sing | 1.39Å | 1.33Å | Aromatic |
| C15 | C10 | sing | 1.39Å | 1.40Å | Aromatic |
| N1 | C1 | doub | 1.32Å | 1.39Å | Aromatic |
| N1 | C2 | sing | 1.33Å | 1.37Å | Aromatic |
| C18 | N5 | sing | 1.47Å | 1.47Å | |
| C13 | C12 | doub | 1.38Å | 1.39Å | Aromatic |
| C1 | N2 | sing | 1.36Å | 1.35Å | Aromatic |
| C10 | C5 | sing | 1.48Å | 1.49Å | |
| C10 | C11 | doub | 1.39Å | 1.40Å | Aromatic |
| C5 | C4 | doub | 1.34Å | 1.54Å | Aromatic |
| C12 | C11 | sing | 1.38Å | 1.39Å | Aromatic |
| C2 | N5 | sing | 1.39Å | 1.33Å | |
| C2 | C3 | doub | 1.40Å | 1.40Å | Aromatic |
| C11 | C40 | sing | 1.51Å | 1.51Å | |
| N5 | C17 | sing | 1.35Å | 1.34Å | |
| N2 | C4 | sing | 1.38Å | 1.46Å | Aromatic |
| N2 | C3 | sing | 1.39Å | 1.38Å | Aromatic |
| C3 | C16 | sing | 1.40Å | 1.39Å | |
| C17 | O2 | doub | 1.22Å | 1.36Å | |
| C17 | N4 | sing | 1.34Å | 1.36Å | |
| C16 | N4 | sing | 1.35Å | 1.35Å | |
| C16 | O3 | doub | 1.22Å | 1.36Å | |
| N4 | H1 | sing | 0.97Å | 1.00Å | |
| C18 | H2 | sing | 1.09Å | 1.10Å | |
| C18 | H3 | sing | 1.09Å | 1.10Å | |
| C18 | H4 | sing | 1.09Å | 1.10Å | |
| C4 | H5 | sing | 1.08Å | 1.08Å | |
| C40 | H6 | sing | 1.09Å | 1.10Å | |
| C40 | H7 | sing | 1.09Å | 1.10Å | |
| C40 | H8 | sing | 1.09Å | 1.10Å | |
| C12 | H9 | sing | 1.08Å | 1.08Å | |
| C13 | H10 | sing | 1.08Å | 1.08Å | |
| C15 | H11 | sing | 1.08Å | 1.08Å | |
| O41 | H12 | sing | 0.97Å | 0.95Å | |
| C33 | H13 | sing | 1.08Å | 1.08Å | |
| C34 | H14 | sing | 1.08Å | 1.08Å | |
| C35 | H15 | sing | 1.08Å | 1.08Å | |
| C36 | H16 | sing | 1.08Å | 1.08Å | |
| C39 | H17 | sing | 1.09Å | 1.10Å | |
| C39 | H18 | sing | 1.09Å | 1.10Å | |
| C39 | H19 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C36 | C35 | C34 | 119.6° | 120.2° |
| C35 | C36 | C37 | 119.7° | 120.0° |
| C36 | C35 | H15 | 120.2° | 119.9° |
| C35 | C36 | H16 | 120.2° | 120.0° |
| C35 | C34 | C33 | 121.9° | 120.2° |
| C35 | C34 | H14 | 119.1° | 119.9° |
| C34 | C35 | H15 | 120.2° | 120.0° |
| C36 | C37 | O38 | 119.2° | 120.1° |
| C36 | C37 | C32 | 122.1° | 119.8° |
| C37 | C36 | H16 | 120.2° | 119.9° |
| C34 | C33 | C32 | 122.0° | 120.0° |
| C34 | C33 | H13 | 119.0° | 120.0° |
| C33 | C34 | H14 | 119.1° | 119.9° |
| O38 | C37 | C32 | 118.7° | 120.1° |
| C37 | O38 | C39 | 121.1° | 117.0° |
| C37 | C32 | C33 | 114.7° | 119.9° |
| C37 | C32 | N3 | 119.5° | 120.1° |
| C33 | C32 | N3 | 125.8° | 120.1° |
| C32 | C33 | H13 | 119.0° | 120.0° |
| O38 | C39 | H17 | 109.5° | 109.5° |
| O38 | C39 | H18 | 109.5° | 109.5° |
| O38 | C39 | H19 | 109.5° | 109.4° |
| C32 | N3 | C1 | 125.2° | 126.2° |
| C32 | N3 | C5 | 129.2° | 126.1° |
| O41 | C14 | C15 | 120.3° | 120.0° |
| O41 | C14 | C13 | 119.9° | 120.0° |
| C14 | O41 | H12 | 109.5° | 113.9° |
| C15 | C14 | C13 | 119.8° | 120.0° |
| C14 | C15 | C10 | 119.7° | 119.8° |
| C14 | C15 | H11 | 120.2° | 120.1° |
| C14 | C13 | C12 | 121.0° | 120.2° |
| C14 | C13 | H10 | 119.5° | 119.9° |
| C1 | N3 | C5 | 105.2° | 107.8° |
| N3 | C1 | N1 | 134.0° | 143.2° |
| N3 | C1 | N2 | 110.9° | 107.6° |
| N3 | C5 | C10 | 125.6° | 126.0° |
| N3 | C5 | C4 | 115.5° | 107.9° |
| C15 | C10 | C5 | 117.6° | 120.1° |
| C15 | C10 | C11 | 120.6° | 119.8° |
| C10 | C15 | H11 | 120.2° | 120.1° |
| C1 | N1 | C2 | 101.5° | 110.0° |
| N1 | C1 | N2 | 114.9° | 109.2° |
| N1 | C2 | N5 | 126.5° | 133.7° |
| N1 | C2 | C3 | 111.5° | 107.6° |
| C18 | N5 | C2 | 119.9° | 120.0° |
| C18 | N5 | C17 | 121.7° | 120.0° |
| N5 | C18 | H2 | 109.5° | 109.4° |
| N5 | C18 | H3 | 109.5° | 109.5° |
| N5 | C18 | H4 | 109.5° | 109.4° |
| C13 | C12 | C11 | 119.8° | 120.2° |
| C13 | C12 | H9 | 120.1° | 119.9° |
| C12 | C13 | H10 | 119.5° | 119.9° |
| C1 | N2 | C4 | 113.4° | 108.4° |
| C1 | N2 | C3 | 104.6° | 106.9° |
| C5 | C10 | C11 | 121.8° | 120.1° |
| C10 | C5 | C4 | 118.9° | 126.0° |
| C10 | C11 | C12 | 119.2° | 120.0° |
| C10 | C11 | C40 | 122.3° | 120.0° |
| C5 | C4 | N2 | 94.8° | 108.3° |
| C5 | C4 | H5 | 132.6° | 125.9° |
| C12 | C11 | C40 | 118.5° | 120.0° |
| C11 | C12 | H9 | 120.1° | 120.0° |
| N5 | C2 | C3 | 121.9° | 118.7° |
| C2 | N5 | C17 | 118.4° | 120.0° |
| C2 | C3 | N2 | 107.4° | 106.3° |
| C2 | C3 | C16 | 119.1° | 119.2° |
| C11 | C40 | H6 | 109.5° | 109.4° |
| C11 | C40 | H7 | 109.5° | 109.4° |
| C11 | C40 | H8 | 109.4° | 109.4° |
| N5 | C17 | O2 | 117.4° | 119.1° |
| N5 | C17 | N4 | 121.7° | 121.6° |
| C4 | N2 | C3 | 142.0° | 144.8° |
| N2 | C4 | H5 | 132.6° | 125.8° |
| N2 | C3 | C16 | 133.5° | 134.5° |
| C3 | C16 | N4 | 117.1° | 119.3° |
| C3 | C16 | O3 | 121.8° | 120.3° |
| O2 | C17 | N4 | 120.9° | 119.2° |
| C17 | N4 | C16 | 121.7° | 121.1° |
| C17 | N4 | H1 | 119.1° | 119.5° |
| N4 | C16 | O3 | 121.1° | 120.4° |
| C16 | N4 | H1 | 119.1° | 119.4° |
| H2 | C18 | H3 | 109.4° | 109.5° |
| H2 | C18 | H4 | 109.5° | 109.5° |
| H3 | C18 | H4 | 109.5° | 109.5° |
| H6 | C40 | H7 | 109.5° | 109.5° |
| H6 | C40 | H8 | 109.5° | 109.5° |
| H7 | C40 | H8 | 109.5° | 109.5° |
| H17 | C39 | H18 | 109.4° | 109.5° |
| H17 | C39 | H19 | 109.4° | 109.5° |
| H18 | C39 | H19 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C36 | C35 | C34 | H15 | 180.0° | 179.6° |
| C35 | C36 | C37 | H16 | 180.0° | 179.8° |
| C36 | C35 | C34 | C33 | 0.5° | 0.1° |
| C35 | C36 | C37 | O38 | 179.5° | 180.0° |
| C35 | C36 | C37 | C32 | 0.7° | 0.5° |
| C36 | C35 | C34 | H14 | 179.5° | 180.0° |
| C34 | C35 | C36 | C37 | 0.6° | 0.3° |
| C35 | C34 | C33 | H14 | 180.0° | 179.9° |
| C35 | C34 | C33 | C32 | 0.5° | 0.0° |
| C35 | C34 | C33 | H13 | 179.5° | 180.0° |
| C34 | C35 | C36 | H16 | 179.4° | 180.0° |
| C36 | C37 | O38 | C32 | 178.8° | 179.5° |
| C36 | C37 | C32 | C33 | 0.7° | 0.5° |
| C36 | C37 | O38 | C39 | 39.2° | 0.0° |
| C36 | C37 | C32 | N3 | 179.3° | 179.7° |
| C37 | C36 | C35 | H15 | 179.4° | 179.9° |
| C34 | C33 | C32 | C37 | 0.6° | 0.3° |
| C34 | C33 | C32 | H13 | 180.0° | 179.9° |
| C34 | C33 | C32 | N3 | 179.4° | 179.9° |
| C33 | C34 | C35 | H15 | 179.5° | 179.7° |
| O38 | C37 | C32 | C33 | 179.5° | 180.0° |
| O38 | C37 | C32 | N3 | 0.5° | 0.2° |
| O38 | C37 | C36 | H16 | 0.5° | 0.2° |
| C37 | O38 | C39 | H17 | 180.0° | 180.0° |
| C37 | O38 | C39 | H18 | 60.0° | 59.9° |
| C37 | O38 | C39 | H19 | 60.0° | 60.0° |
| C37 | C32 | C33 | N3 | 179.9° | 179.8° |
| C32 | C37 | O38 | C39 | 142.0° | 179.5° |
| C37 | C32 | N3 | C1 | 70.4° | 90.2° |
| C37 | C32 | N3 | C5 | 101.7° | 89.8° |
| C37 | C32 | C33 | H13 | 179.4° | 179.8° |
| C32 | C37 | C36 | H16 | 179.3° | 179.7° |
| C33 | C32 | N3 | C1 | 109.5° | 90.0° |
| C33 | C32 | N3 | C5 | 78.4° | 90.0° |
| C32 | C33 | C34 | H14 | 179.5° | 180.0° |
| O38 | C39 | H17 | H18 | 120.0° | 120.0° |
| O38 | C39 | H17 | H19 | 120.0° | 119.9° |
| O38 | C39 | H18 | H19 | 120.0° | 119.9° |
| C32 | N3 | C1 | C5 | 173.6° | 180.0° |
| C32 | N3 | C1 | N1 | 7.0° | 0.1° |
| C32 | N3 | C1 | N2 | 177.5° | 180.0° |
| C32 | N3 | C5 | C10 | 6.5° | 0.0° |
| C32 | N3 | C5 | C4 | 176.4° | 180.0° |
| N3 | C32 | C33 | H13 | 0.6° | 0.0° |
| O41 | C14 | C15 | C13 | 179.0° | 179.4° |
| O41 | C14 | C15 | C10 | 179.1° | 180.0° |
| O41 | C14 | C13 | C12 | 179.9° | 179.7° |
| O41 | C14 | C13 | H10 | 0.1° | 0.3° |
| O41 | C14 | C15 | H11 | 0.9° | 0.3° |
| C14 | C15 | C10 | H11 | 180.0° | 179.7° |
| C15 | C14 | C13 | C12 | 0.9° | 0.3° |
| C14 | C15 | C10 | C5 | 178.3° | 179.7° |
| C14 | C15 | C10 | C11 | 0.8° | 0.6° |
| C15 | C14 | C13 | H10 | 179.0° | 179.7° |
| C15 | C14 | O41 | H12 | 180.0° | 90.0° |
| C13 | C14 | C15 | C10 | 0.1° | 0.6° |
| C14 | C13 | C12 | H10 | 180.0° | 180.0° |
| C14 | C13 | C12 | C11 | 0.9° | 0.0° |
| C14 | C13 | C12 | H9 | 179.1° | 180.0° |
| C13 | C14 | C15 | H11 | 179.9° | 179.7° |
| C13 | C14 | O41 | H12 | 1.0° | 90.5° |
| N3 | C1 | N1 | N2 | 175.3° | 179.9° |
| N3 | C1 | N1 | C2 | 177.1° | 179.9° |
| C1 | N3 | C5 | C10 | 179.8° | 180.0° |
| C1 | N3 | C5 | C4 | 3.1° | 0.0° |
| N3 | C1 | N2 | C4 | 3.4° | 0.0° |
| N3 | C1 | N2 | C3 | 178.4° | 180.0° |
| N3 | C5 | C10 | C15 | 62.1° | 65.6° |
| C5 | N3 | C1 | N1 | 179.4° | 179.9° |
| C5 | N3 | C1 | N2 | 3.9° | 0.0° |
| N3 | C5 | C10 | C4 | 177.0° | 180.0° |
| N3 | C5 | C10 | C11 | 115.4° | 114.8° |
| N3 | C5 | C4 | N2 | 1.1° | 0.0° |
| N3 | C5 | C4 | H5 | 178.9° | 180.0° |
| C15 | C10 | C5 | C11 | 177.5° | 179.7° |
| C15 | C10 | C5 | C4 | 120.9° | 114.5° |
| C15 | C10 | C11 | C12 | 0.8° | 0.3° |
| C15 | C10 | C11 | C40 | 179.3° | 179.7° |
| C1 | N1 | C2 | N5 | 179.4° | 179.9° |
| C1 | N1 | C2 | C3 | 0.9° | 0.0° |
| N1 | C1 | N2 | C4 | 179.9° | 179.9° |
| N1 | C1 | N2 | C3 | 2.0° | 0.0° |
| N1 | C2 | N5 | C18 | 0.5° | 0.1° |
| C2 | N1 | C1 | N2 | 1.8° | 0.0° |
| N1 | C2 | N5 | C3 | 179.7° | 179.9° |
| N1 | C2 | N5 | C17 | 180.0° | 180.0° |
| N1 | C2 | C3 | N2 | 0.3° | 0.0° |
| N1 | C2 | C3 | C16 | 179.8° | 179.7° |
| C18 | N5 | C2 | C17 | 179.4° | 179.9° |
| C18 | N5 | C2 | C3 | 179.8° | 179.9° |
| C18 | N5 | C17 | O2 | 0.3° | 0.1° |
| C18 | N5 | C17 | N4 | 179.7° | 179.8° |
| N5 | C18 | H2 | H3 | 120.0° | 120.0° |
| N5 | C18 | H2 | H4 | 120.0° | 119.9° |
| N5 | C18 | H3 | H4 | 120.0° | 120.0° |
| C13 | C12 | C11 | C10 | 0.1° | 0.0° |
| C13 | C12 | C11 | H9 | 180.0° | 180.0° |
| C13 | C12 | C11 | C40 | 179.8° | 180.0° |
| C1 | N2 | C4 | C5 | 1.4° | 0.0° |
| C1 | N2 | C3 | C2 | 1.3° | 0.0° |
| C1 | N2 | C4 | C3 | 177.1° | 179.9° |
| C1 | N2 | C3 | C16 | 178.7° | 179.6° |
| C1 | N2 | C4 | H5 | 178.6° | 180.0° |
| C5 | C10 | C11 | C12 | 178.2° | 180.0° |
| C5 | C10 | C11 | C40 | 1.9° | 0.0° |
| C10 | C5 | C4 | N2 | 178.4° | 180.0° |
| C10 | C5 | C4 | H5 | 1.6° | 0.1° |
| C5 | C10 | C15 | H11 | 1.7° | 0.0° |
| C11 | C10 | C5 | C4 | 61.7° | 65.2° |
| C10 | C11 | C12 | C40 | 179.9° | 180.0° |
| C10 | C11 | C40 | H6 | 90.1° | 84.7° |
| C10 | C11 | C40 | H7 | 149.9° | 155.3° |
| C10 | C11 | C40 | H8 | 29.9° | 35.4° |
| C10 | C11 | C12 | H9 | 180.0° | 180.0° |
| C11 | C10 | C15 | H11 | 179.2° | 179.7° |
| C5 | C4 | N2 | H5 | 180.0° | 179.9° |
| C5 | C4 | N2 | C3 | 178.5° | 180.0° |
| C12 | C11 | C40 | H6 | 90.0° | 95.3° |
| C12 | C11 | C40 | H7 | 30.0° | 24.7° |
| C12 | C11 | C40 | H8 | 149.9° | 144.7° |
| C11 | C12 | C13 | H10 | 179.1° | 180.0° |
| N5 | C2 | C3 | N2 | 179.5° | 179.9° |
| N5 | C2 | C3 | C16 | 0.5° | 0.2° |
| C2 | N5 | C17 | O2 | 179.8° | 180.0° |
| C2 | N5 | C17 | N4 | 0.3° | 0.4° |
| C2 | N5 | C18 | H2 | 180.0° | 179.9° |
| C2 | N5 | C18 | H3 | 60.0° | 59.9° |
| C2 | N5 | C18 | H4 | 60.0° | 60.1° |
| C3 | C2 | N5 | C17 | 0.3° | 0.1° |
| C2 | C3 | N2 | C4 | 178.5° | 179.9° |
| C2 | C3 | N2 | C16 | 180.0° | 179.6° |
| C2 | C3 | C16 | N4 | 0.6° | 0.3° |
| C2 | C3 | C16 | O3 | 180.0° | 179.7° |
| C11 | C40 | H6 | H7 | 120.0° | 120.0° |
| C11 | C40 | H6 | H8 | 120.0° | 120.0° |
| C11 | C40 | H7 | H8 | 120.0° | 119.9° |
| C40 | C11 | C12 | H9 | 0.2° | 0.1° |
| N5 | C17 | O2 | N4 | 179.9° | 179.6° |
| N5 | C17 | N4 | C16 | 0.4° | 0.3° |
| N5 | C17 | N4 | H1 | 179.6° | 179.6° |
| C17 | N5 | C18 | H2 | 0.6° | 0.1° |
| C17 | N5 | C18 | H3 | 119.4° | 119.9° |
| C17 | N5 | C18 | H4 | 120.6° | 120.0° |
| C4 | N2 | C3 | C16 | 1.5° | 0.4° |
| N2 | C3 | C16 | N4 | 179.4° | 179.8° |
| N2 | C3 | C16 | O3 | 0.1° | 0.1° |
| C3 | N2 | C4 | H5 | 1.5° | 0.1° |
| C3 | C16 | N4 | C17 | 0.5° | 0.0° |
| C3 | C16 | N4 | O3 | 179.5° | 180.0° |
| C3 | C16 | N4 | H1 | 179.5° | 180.0° |
| O2 | C17 | N4 | C16 | 179.7° | 180.0° |
| O2 | C17 | N4 | H1 | 0.3° | 0.0° |
| C17 | N4 | C16 | H1 | 180.0° | 180.0° |
| C17 | N4 | C16 | O3 | 180.0° | 180.0° |
| O3 | C16 | N4 | H1 | 0.0° | 0.0° |
| H2 | C18 | H3 | H4 | 120.0° | 120.0° |
| H6 | C40 | H7 | H8 | 120.0° | 120.1° |
| H9 | C12 | C13 | H10 | 0.9° | 0.0° |
| H13 | C33 | C34 | H14 | 0.5° | 0.1° |
| H14 | C34 | C35 | H15 | 0.5° | 0.4° |
| H15 | C35 | C36 | H16 | 0.6° | 0.3° |
| H17 | C39 | H18 | H19 | 120.0° | 120.0° |
