L59
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C19 | C18 | sing | 1.53Å | 1.51Å | |
| O4 | C18 | sing | 1.43Å | 1.41Å | |
| C18 | C16 | sing | 1.53Å | 1.57Å | |
| O2 | C17 | doub | 1.21Å | 1.24Å | |
| O3 | N2 | sing | 1.42Å | 1.34Å | |
| C17 | N2 | sing | 1.35Å | 1.39Å | |
| C17 | C16 | sing | 1.51Å | 1.50Å | |
| C16 | N1 | sing | 1.46Å | 1.46Å | |
| N1 | C1 | sing | 1.35Å | 1.39Å | |
| C1 | O1 | doub | 1.22Å | 1.25Å | |
| C1 | C2 | sing | 1.48Å | 1.50Å | |
| C3 | C2 | doub | 1.40Å | 1.41Å | Aromatic |
| C3 | C4 | sing | 1.37Å | 1.40Å | Aromatic |
| C2 | C7 | sing | 1.40Å | 1.40Å | Aromatic |
| C4 | C5 | doub | 1.40Å | 1.39Å | Aromatic |
| C7 | C6 | doub | 1.37Å | 1.42Å | Aromatic |
| C5 | C6 | sing | 1.40Å | 1.39Å | Aromatic |
| C5 | C8 | sing | 1.43Å | 1.41Å | |
| C8 | C9 | trip | 1.17Å | 1.16Å | |
| C9 | C10 | sing | 1.43Å | 1.41Å | |
| C15 | C14 | doub | 1.38Å | 1.40Å | Aromatic |
| C15 | C10 | sing | 1.40Å | 1.39Å | Aromatic |
| C14 | C13 | sing | 1.38Å | 1.42Å | Aromatic |
| C10 | C11 | doub | 1.40Å | 1.42Å | Aromatic |
| C13 | C12 | doub | 1.38Å | 1.38Å | Aromatic |
| C11 | C12 | sing | 1.38Å | 1.40Å | Aromatic |
| N2 | H13 | sing | 0.97Å | 1.00Å | |
| O3 | H14 | sing | 0.97Å | 0.95Å | |
| C16 | H1 | sing | 1.09Å | 1.10Å | |
| C18 | H2 | sing | 1.09Å | 1.10Å | |
| O4 | H18 | sing | 0.97Å | 0.95Å | |
| C19 | H17 | sing | 1.09Å | 1.10Å | |
| C19 | H16 | sing | 1.09Å | 1.10Å | |
| C19 | H15 | sing | 1.09Å | 1.10Å | |
| N1 | H3 | sing | 0.97Å | 1.00Å | |
| C7 | H7 | sing | 1.08Å | 1.08Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C4 | H5 | sing | 1.08Å | 1.08Å | |
| C3 | H4 | sing | 1.08Å | 1.08Å | |
| C15 | H12 | sing | 1.08Å | 1.08Å | |
| C14 | H11 | sing | 1.08Å | 1.08Å | |
| C13 | H10 | sing | 1.08Å | 1.08Å | |
| C12 | H9 | sing | 1.08Å | 1.08Å | |
| C11 | H8 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C19 | C18 | O4 | 108.5° | 109.5° |
| C19 | C18 | C16 | 115.3° | 109.5° |
| C19 | C18 | H2 | 109.4° | 109.5° |
| C18 | C19 | H17 | 109.5° | 109.5° |
| C18 | C19 | H16 | 109.5° | 109.5° |
| C18 | C19 | H15 | 109.5° | 109.5° |
| O4 | C18 | C16 | 104.2° | 109.5° |
| O4 | C18 | H2 | 110.7° | 109.4° |
| C18 | O4 | H18 | 109.5° | 114.0° |
| C18 | C16 | C17 | 112.0° | 109.5° |
| C18 | C16 | N1 | 113.4° | 109.5° |
| C18 | C16 | H1 | 106.2° | 109.4° |
| C16 | C18 | H2 | 108.6° | 109.4° |
| O2 | C17 | N2 | 117.7° | 120.0° |
| O2 | C17 | C16 | 122.1° | 120.0° |
| O3 | N2 | C17 | 115.7° | 120.0° |
| O3 | N2 | H13 | 122.2° | 120.0° |
| N2 | O3 | H14 | 109.5° | 114.0° |
| N2 | C17 | C16 | 120.2° | 120.0° |
| C17 | N2 | H13 | 122.1° | 120.0° |
| C17 | C16 | N1 | 110.3° | 109.5° |
| C17 | C16 | H1 | 107.0° | 109.5° |
| C16 | N1 | C1 | 121.1° | 120.0° |
| N1 | C16 | H1 | 107.5° | 109.5° |
| C16 | N1 | H3 | 119.5° | 120.1° |
| N1 | C1 | O1 | 119.9° | 120.0° |
| N1 | C1 | C2 | 116.7° | 120.0° |
| C1 | N1 | H3 | 119.4° | 120.0° |
| O1 | C1 | C2 | 123.2° | 120.0° |
| C1 | C2 | C3 | 122.8° | 120.0° |
| C1 | C2 | C7 | 117.8° | 120.0° |
| C2 | C3 | C4 | 120.6° | 120.0° |
| C3 | C2 | C7 | 119.3° | 120.1° |
| C2 | C3 | H4 | 119.7° | 120.1° |
| C3 | C4 | C5 | 119.9° | 120.0° |
| C3 | C4 | H5 | 120.0° | 120.1° |
| C4 | C3 | H4 | 119.7° | 119.9° |
| C2 | C7 | C6 | 119.6° | 120.0° |
| C2 | C7 | H7 | 120.2° | 120.0° |
| C4 | C5 | C6 | 120.3° | 120.0° |
| C4 | C5 | C8 | 119.4° | 120.0° |
| C5 | C4 | H5 | 120.0° | 120.0° |
| C7 | C6 | C5 | 120.2° | 120.0° |
| C6 | C7 | H7 | 120.2° | 120.0° |
| C7 | C6 | H6 | 119.9° | 120.0° |
| C6 | C5 | C8 | 120.2° | 120.1° |
| C5 | C6 | H6 | 119.9° | 120.0° |
| C5 | C8 | C9 | 177.9° | 179.9° |
| C8 | C9 | C10 | 177.8° | 179.9° |
| C9 | C10 | C15 | 117.6° | 120.1° |
| C9 | C10 | C11 | 120.8° | 120.2° |
| C14 | C15 | C10 | 119.0° | 119.8° |
| C15 | C14 | C13 | 120.1° | 120.2° |
| C14 | C15 | H12 | 120.5° | 120.1° |
| C15 | C14 | H11 | 119.9° | 119.9° |
| C15 | C10 | C11 | 121.5° | 119.7° |
| C10 | C15 | H12 | 120.5° | 120.1° |
| C14 | C13 | C12 | 120.4° | 120.3° |
| C13 | C14 | H11 | 120.0° | 119.9° |
| C14 | C13 | H10 | 119.8° | 119.8° |
| C10 | C11 | C12 | 118.9° | 119.8° |
| C10 | C11 | H8 | 120.5° | 120.1° |
| C13 | C12 | C11 | 120.1° | 120.2° |
| C12 | C13 | H10 | 119.8° | 119.9° |
| C13 | C12 | H9 | 120.0° | 119.9° |
| C11 | C12 | H9 | 120.0° | 119.9° |
| C12 | C11 | H8 | 120.5° | 120.1° |
| H17 | C19 | H16 | 109.5° | 109.5° |
| H17 | C19 | H15 | 109.5° | 109.4° |
| H16 | C19 | H15 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C19 | C18 | O4 | C16 | 123.3° | 120.0° |
| C19 | C18 | O4 | H2 | 120.1° | 120.1° |
| C19 | C18 | C16 | H2 | 123.1° | 120.0° |
| C19 | C18 | C16 | C17 | 60.6° | 64.6° |
| C19 | C18 | C16 | N1 | 65.1° | 175.4° |
| C19 | C18 | C16 | H1 | 177.1° | 55.4° |
| C19 | C18 | O4 | H18 | 180.0° | 180.0° |
| C18 | C19 | H17 | H16 | 120.0° | 120.0° |
| C18 | C19 | H17 | H15 | 120.0° | 120.0° |
| C18 | C19 | H16 | H15 | 120.0° | 120.0° |
| O4 | C18 | C16 | H2 | 118.1° | 119.9° |
| O4 | C18 | C16 | C17 | 58.2° | 175.4° |
| O4 | C18 | C16 | N1 | 176.1° | 55.4° |
| O4 | C18 | C16 | H1 | 58.3° | 64.6° |
| O4 | C18 | C19 | H17 | 180.0° | 66.0° |
| O4 | C18 | C19 | H16 | 60.0° | 54.0° |
| O4 | C18 | C19 | H15 | 60.0° | 174.0° |
| C18 | C16 | C17 | O2 | 72.4° | 92.5° |
| C18 | C16 | C17 | N2 | 108.7° | 87.7° |
| C18 | C16 | C17 | N1 | 127.4° | 120.0° |
| C18 | C16 | C17 | H1 | 116.0° | 120.0° |
| C18 | C16 | N1 | H1 | 117.1° | 120.0° |
| C18 | C16 | N1 | C1 | 91.1° | 85.0° |
| C16 | C18 | O4 | H18 | 56.7° | 59.9° |
| C16 | C18 | C19 | H17 | 63.6° | 54.0° |
| C16 | C18 | C19 | H16 | 56.4° | 174.1° |
| C16 | C18 | C19 | H15 | 176.4° | 66.0° |
| C18 | C16 | N1 | H3 | 88.9° | 95.0° |
| O2 | C17 | N2 | O3 | 7.0° | 4.5° |
| O2 | C17 | N2 | C16 | 178.9° | 179.8° |
| O2 | C17 | C16 | N1 | 55.0° | 27.5° |
| O2 | C17 | N2 | H13 | 173.0° | 175.4° |
| O2 | C17 | C16 | H1 | 171.6° | 147.5° |
| O3 | N2 | C17 | H13 | 180.0° | 179.9° |
| O3 | N2 | C17 | C16 | 172.0° | 175.7° |
| N2 | C17 | C16 | N1 | 123.9° | 152.3° |
| C17 | N2 | O3 | H14 | 3.4° | 180.0° |
| N2 | C17 | C16 | H1 | 7.3° | 32.3° |
| C17 | C16 | N1 | H1 | 116.4° | 120.0° |
| C17 | C16 | N1 | C1 | 142.3° | 155.0° |
| C16 | C17 | N2 | H13 | 8.0° | 4.4° |
| C17 | C16 | C18 | H2 | 176.3° | 55.4° |
| C17 | C16 | N1 | H3 | 37.7° | 25.0° |
| C16 | N1 | C1 | H3 | 180.0° | 180.0° |
| C16 | N1 | C1 | O1 | 7.6° | 0.0° |
| C16 | N1 | C1 | C2 | 177.3° | 180.0° |
| N1 | C16 | C18 | H2 | 58.0° | 64.6° |
| N1 | C1 | O1 | C2 | 174.7° | 180.0° |
| N1 | C1 | C2 | C3 | 21.8° | 0.3° |
| N1 | C1 | C2 | C7 | 156.7° | 180.0° |
| C1 | N1 | C16 | H1 | 25.9° | 35.0° |
| O1 | C1 | C2 | C3 | 163.4° | 179.7° |
| O1 | C1 | C2 | C7 | 18.2° | 0.0° |
| O1 | C1 | N1 | H3 | 172.4° | 180.0° |
| C1 | C2 | C3 | C7 | 178.4° | 179.7° |
| C1 | C2 | C3 | C4 | 177.9° | 179.7° |
| C1 | C2 | C7 | C6 | 178.2° | 180.0° |
| C2 | C1 | N1 | H3 | 2.6° | 0.0° |
| C1 | C2 | C7 | H7 | 1.8° | 0.1° |
| C1 | C2 | C3 | H4 | 2.1° | 0.0° |
| C2 | C3 | C4 | H4 | 180.0° | 179.7° |
| C2 | C3 | C4 | C5 | 0.6° | 0.6° |
| C3 | C2 | C7 | C6 | 0.3° | 0.3° |
| C3 | C2 | C7 | H7 | 179.7° | 179.8° |
| C2 | C3 | C4 | H5 | 179.4° | 179.7° |
| C4 | C3 | C2 | C7 | 0.5° | 0.6° |
| C3 | C4 | C5 | H5 | 180.0° | 179.7° |
| C3 | C4 | C5 | C6 | 0.5° | 0.4° |
| C3 | C4 | C5 | C8 | 175.3° | 179.7° |
| C2 | C7 | C6 | H7 | 180.0° | 179.9° |
| C2 | C7 | C6 | C5 | 0.2° | 0.1° |
| C2 | C7 | C6 | H6 | 179.8° | 180.0° |
| C7 | C2 | C3 | H4 | 179.5° | 179.7° |
| C4 | C5 | C6 | C7 | 0.4° | 0.1° |
| C4 | C5 | C6 | C8 | 175.8° | 179.9° |
| C4 | C5 | C8 | C9 | 41.8° | 174.0° |
| C4 | C5 | C6 | H6 | 179.7° | 180.0° |
| C5 | C4 | C3 | H4 | 179.4° | 179.7° |
| C7 | C6 | C5 | H6 | 180.0° | 179.9° |
| C7 | C6 | C5 | C8 | 175.5° | 180.0° |
| C6 | C5 | C8 | C9 | 134.0° | 6.1° |
| C5 | C6 | C7 | H7 | 179.7° | 180.0° |
| C6 | C5 | C4 | H5 | 179.5° | 179.9° |
| C5 | C8 | C9 | C10 | 0.7° | 143.3° |
| C8 | C5 | C6 | H6 | 4.5° | 0.1° |
| C8 | C5 | C4 | H5 | 4.7° | 0.0° |
| C8 | C9 | C10 | C15 | 26.7° | 149.1° |
| C8 | C9 | C10 | C11 | 149.9° | 30.7° |
| C9 | C10 | C15 | C14 | 175.1° | 180.0° |
| C9 | C10 | C15 | C11 | 176.5° | 179.8° |
| C9 | C10 | C11 | C12 | 175.3° | 179.7° |
| C9 | C10 | C15 | H12 | 4.9° | 0.1° |
| C9 | C10 | C11 | H8 | 4.8° | 0.1° |
| C14 | C15 | C10 | H12 | 180.0° | 180.0° |
| C15 | C14 | C13 | H11 | 180.0° | 180.0° |
| C14 | C15 | C10 | C11 | 1.4° | 0.2° |
| C15 | C14 | C13 | C12 | 0.1° | 0.0° |
| C15 | C14 | C13 | H10 | 179.9° | 180.0° |
| C10 | C15 | C14 | C13 | 0.9° | 0.0° |
| C15 | C10 | C11 | C12 | 1.1° | 0.5° |
| C10 | C15 | C14 | H11 | 179.1° | 180.0° |
| C15 | C10 | C11 | H8 | 178.8° | 179.7° |
| C14 | C13 | C12 | H10 | 180.0° | 180.0° |
| C14 | C13 | C12 | C11 | 0.2° | 0.3° |
| C13 | C14 | C15 | H12 | 179.2° | 180.0° |
| C14 | C13 | C12 | H9 | 179.8° | 180.0° |
| C10 | C11 | C12 | C13 | 0.3° | 0.5° |
| C10 | C11 | C12 | H8 | 180.0° | 179.8° |
| C11 | C10 | C15 | H12 | 178.6° | 179.7° |
| C10 | C11 | C12 | H9 | 179.7° | 179.7° |
| C13 | C12 | C11 | H9 | 180.0° | 179.8° |
| C12 | C13 | C14 | H11 | 179.9° | 180.0° |
| C13 | C12 | C11 | H8 | 179.7° | 179.7° |
| C11 | C12 | C13 | H10 | 179.8° | 179.7° |
| H13 | N2 | O3 | H14 | 176.6° | 0.1° |
| H1 | C16 | C18 | H2 | 59.8° | 175.5° |
| H1 | C16 | N1 | H3 | 154.1° | 145.0° |
| H2 | C18 | O4 | H18 | 59.9° | 60.0° |
| H2 | C18 | C19 | H17 | 59.1° | 174.0° |
| H2 | C18 | C19 | H16 | 179.1° | 66.0° |
| H2 | C18 | C19 | H15 | 60.9° | 54.0° |
| H17 | C19 | H16 | H15 | 120.0° | 119.9° |
| H7 | C7 | C6 | H6 | 0.2° | 0.1° |
| H5 | C4 | C3 | H4 | 0.6° | 0.0° |
| H12 | C15 | C14 | H11 | 0.8° | 0.0° |
| H11 | C14 | C13 | H10 | 0.1° | 0.0° |
| H10 | C13 | C12 | H9 | 0.2° | 0.1° |
| H9 | C12 | C11 | H8 | 0.4° | 0.1° |
