L56
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C20 | C21 | doub | 1.38Å | 1.40Å | Aromatic |
| C20 | C18 | sing | 1.38Å | 1.40Å | Aromatic |
| C21 | C19 | sing | 1.38Å | 1.40Å | Aromatic |
| C18 | C16 | doub | 1.38Å | 1.40Å | Aromatic |
| C19 | C22 | sing | 1.51Å | 1.51Å | |
| C19 | C17 | doub | 1.38Å | 1.38Å | Aromatic |
| C16 | C17 | sing | 1.38Å | 1.39Å | Aromatic |
| C16 | C15 | sing | 1.51Å | 1.52Å | |
| C15 | C14 | sing | 1.53Å | 1.54Å | |
| C11 | N9 | sing | 1.47Å | 1.47Å | |
| O10 | N9 | sing | 1.42Å | 1.40Å | |
| C13 | C14 | sing | 1.53Å | 1.54Å | |
| C13 | C2 | sing | 1.53Å | 1.56Å | |
| N9 | C4 | sing | 1.35Å | 1.37Å | |
| O8 | P5 | doub | 1.48Å | 1.48Å | |
| C4 | O12 | doub | 1.21Å | 1.22Å | |
| C4 | C3 | sing | 1.51Å | 1.52Å | |
| C2 | C3 | sing | 1.53Å | 1.56Å | |
| C2 | C1 | sing | 1.53Å | 1.53Å | |
| C1 | P5 | sing | 1.82Å | 1.82Å | |
| P5 | O6 | sing | 1.61Å | 1.52Å | |
| P5 | O7 | sing | 1.61Å | 1.49Å | |
| O7 | H1 | sing | 0.97Å | 0.95Å | |
| O6 | H2 | sing | 0.97Å | 0.95Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C1 | H4 | sing | 1.09Å | 1.10Å | |
| C2 | H5 | sing | 1.09Å | 1.10Å | |
| C3 | H6 | sing | 1.09Å | 1.10Å | |
| C3 | H7 | sing | 1.09Å | 1.10Å | |
| C11 | H8 | sing | 1.09Å | 1.10Å | |
| C11 | H9 | sing | 1.09Å | 1.10Å | |
| C11 | H10 | sing | 1.09Å | 1.10Å | |
| O10 | H11 | sing | 0.97Å | 0.95Å | |
| C13 | H12 | sing | 1.09Å | 1.10Å | |
| C13 | H13 | sing | 1.09Å | 1.10Å | |
| C14 | H14 | sing | 1.09Å | 1.10Å | |
| C14 | H15 | sing | 1.09Å | 1.10Å | |
| C15 | H16 | sing | 1.09Å | 1.10Å | |
| C15 | H17 | sing | 1.09Å | 1.10Å | |
| C18 | H18 | sing | 1.08Å | 1.08Å | |
| C20 | H19 | sing | 1.08Å | 1.08Å | |
| C21 | H20 | sing | 1.08Å | 1.08Å | |
| C17 | H21 | sing | 1.08Å | 1.08Å | |
| C22 | H22 | sing | 1.09Å | 1.10Å | |
| C22 | H23 | sing | 1.09Å | 1.10Å | |
| C22 | H24 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C21 | C20 | C18 | 118.9° | 120.0° |
| C20 | C21 | C19 | 120.2° | 120.0° |
| C21 | C20 | H19 | 120.6° | 120.0° |
| C20 | C21 | H20 | 119.9° | 120.0° |
| C20 | C18 | C16 | 120.4° | 119.9° |
| C20 | C18 | H18 | 119.8° | 120.0° |
| C18 | C20 | H19 | 120.5° | 120.0° |
| C21 | C19 | C22 | 120.1° | 120.0° |
| C21 | C19 | C17 | 120.3° | 120.0° |
| C19 | C21 | H20 | 119.9° | 120.0° |
| C18 | C16 | C17 | 120.0° | 120.0° |
| C18 | C16 | C15 | 120.2° | 119.9° |
| C16 | C18 | H18 | 119.8° | 120.1° |
| C22 | C19 | C17 | 119.6° | 120.0° |
| C19 | C22 | H22 | 109.5° | 109.5° |
| C19 | C22 | H23 | 109.5° | 109.5° |
| C19 | C22 | H24 | 109.5° | 109.5° |
| C19 | C17 | C16 | 120.1° | 120.0° |
| C19 | C17 | H21 | 119.9° | 120.0° |
| C17 | C16 | C15 | 119.7° | 120.0° |
| C16 | C17 | H21 | 119.9° | 120.0° |
| C16 | C15 | C14 | 110.7° | 109.5° |
| C16 | C15 | H16 | 109.2° | 109.5° |
| C16 | C15 | H17 | 109.2° | 109.5° |
| C15 | C14 | C13 | 109.8° | 109.5° |
| C15 | C14 | H14 | 109.4° | 109.5° |
| C15 | C14 | H15 | 109.4° | 109.4° |
| C14 | C15 | H16 | 109.2° | 109.5° |
| C14 | C15 | H17 | 109.2° | 109.4° |
| C11 | N9 | O10 | 118.9° | 120.0° |
| C11 | N9 | C4 | 121.9° | 119.9° |
| N9 | C11 | H8 | 109.5° | 109.4° |
| N9 | C11 | H9 | 109.4° | 109.5° |
| N9 | C11 | H10 | 109.4° | 109.5° |
| O10 | N9 | C4 | 119.2° | 120.0° |
| N9 | O10 | H11 | 109.5° | 114.0° |
| C14 | C13 | C2 | 112.5° | 109.5° |
| C14 | C13 | H12 | 108.7° | 109.4° |
| C14 | C13 | H13 | 108.7° | 109.4° |
| C13 | C14 | H14 | 109.4° | 109.5° |
| C13 | C14 | H15 | 109.4° | 109.5° |
| C13 | C2 | C3 | 111.4° | 109.5° |
| C13 | C2 | C1 | 110.9° | 109.4° |
| C13 | C2 | H5 | 107.7° | 109.5° |
| C2 | C13 | H12 | 108.7° | 109.5° |
| C2 | C13 | H13 | 108.7° | 109.5° |
| N9 | C4 | O12 | 120.4° | 120.0° |
| N9 | C4 | C3 | 121.3° | 119.9° |
| O8 | P5 | C1 | 109.8° | 109.5° |
| O8 | P5 | O6 | 109.6° | 109.5° |
| O8 | P5 | O7 | 109.8° | 109.4° |
| O12 | C4 | C3 | 118.1° | 120.0° |
| C4 | C3 | C2 | 108.7° | 109.4° |
| C4 | C3 | H6 | 109.7° | 109.5° |
| C4 | C3 | H7 | 109.7° | 109.5° |
| C3 | C2 | C1 | 111.0° | 109.5° |
| C3 | C2 | H5 | 107.7° | 109.5° |
| C2 | C3 | H6 | 109.6° | 109.5° |
| C2 | C3 | H7 | 109.7° | 109.5° |
| C2 | C1 | P5 | 109.3° | 109.5° |
| C2 | C1 | H3 | 109.5° | 109.4° |
| C2 | C1 | H4 | 109.5° | 109.5° |
| C1 | C2 | H5 | 108.0° | 109.5° |
| C1 | P5 | O6 | 108.9° | 109.5° |
| C1 | P5 | O7 | 109.1° | 109.5° |
| P5 | C1 | H3 | 109.5° | 109.5° |
| P5 | C1 | H4 | 109.5° | 109.4° |
| O6 | P5 | O7 | 109.7° | 109.5° |
| P5 | O6 | H2 | 109.5° | 114.0° |
| P5 | O7 | H1 | 109.5° | 114.0° |
| H3 | C1 | H4 | 109.5° | 109.5° |
| H6 | C3 | H7 | 109.5° | 109.5° |
| H8 | C11 | H9 | 109.5° | 109.5° |
| H8 | C11 | H10 | 109.5° | 109.5° |
| H9 | C11 | H10 | 109.5° | 109.5° |
| H12 | C13 | H13 | 109.5° | 109.4° |
| H14 | C14 | H15 | 109.5° | 109.4° |
| H16 | C15 | H17 | 109.5° | 109.4° |
| H22 | C22 | H23 | 109.5° | 109.5° |
| H22 | C22 | H24 | 109.5° | 109.4° |
| H23 | C22 | H24 | 109.4° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C21 | C20 | C18 | H19 | 180.0° | 179.9° |
| C20 | C21 | C19 | H20 | 180.0° | 180.0° |
| C21 | C20 | C18 | C16 | 0.4° | 0.0° |
| C20 | C21 | C19 | C22 | 179.7° | 180.0° |
| C20 | C21 | C19 | C17 | 0.2° | 0.1° |
| C21 | C20 | C18 | H18 | 179.6° | 180.0° |
| C18 | C20 | C21 | C19 | 0.1° | 0.1° |
| C20 | C18 | C16 | H18 | 180.0° | 180.0° |
| C20 | C18 | C16 | C17 | 1.1° | 0.0° |
| C20 | C18 | C16 | C15 | 179.4° | 179.8° |
| C18 | C20 | C21 | H20 | 179.9° | 180.0° |
| C21 | C19 | C22 | C17 | 179.5° | 179.9° |
| C21 | C19 | C17 | C16 | 0.9° | 0.1° |
| C19 | C21 | C20 | H19 | 179.9° | 180.0° |
| C21 | C19 | C17 | H21 | 179.1° | 179.8° |
| C21 | C19 | C22 | H22 | 90.2° | 90.0° |
| C21 | C19 | C22 | H23 | 149.7° | 150.0° |
| C21 | C19 | C22 | H24 | 29.8° | 30.0° |
| C18 | C16 | C17 | C19 | 1.4° | 0.1° |
| C18 | C16 | C17 | C15 | 178.3° | 179.8° |
| C18 | C16 | C15 | C14 | 109.4° | 89.8° |
| C18 | C16 | C15 | H16 | 10.8° | 150.2° |
| C18 | C16 | C15 | H17 | 130.5° | 30.3° |
| C16 | C18 | C20 | H19 | 179.6° | 179.9° |
| C18 | C16 | C17 | H21 | 178.6° | 179.7° |
| C22 | C19 | C17 | C16 | 179.6° | 180.0° |
| C22 | C19 | C21 | H20 | 0.3° | 0.0° |
| C22 | C19 | C17 | H21 | 0.4° | 0.3° |
| C19 | C22 | H22 | H23 | 120.0° | 120.1° |
| C19 | C22 | H22 | H24 | 120.0° | 120.0° |
| C19 | C22 | H23 | H24 | 120.0° | 120.0° |
| C19 | C17 | C16 | H21 | 180.0° | 179.7° |
| C19 | C17 | C16 | C15 | 179.7° | 179.7° |
| C17 | C19 | C21 | H20 | 179.8° | 179.9° |
| C17 | C19 | C22 | H22 | 90.2° | 90.1° |
| C17 | C19 | C22 | H23 | 29.8° | 29.9° |
| C17 | C19 | C22 | H24 | 149.7° | 150.0° |
| C17 | C16 | C15 | C14 | 72.4° | 90.0° |
| C17 | C16 | C15 | H16 | 167.5° | 30.0° |
| C17 | C16 | C15 | H17 | 47.8° | 150.0° |
| C17 | C16 | C18 | H18 | 178.8° | 180.0° |
| C16 | C15 | C14 | H16 | 120.2° | 120.0° |
| C16 | C15 | C14 | H17 | 120.2° | 120.1° |
| C16 | C15 | C14 | C13 | 79.8° | 180.0° |
| C16 | C15 | C14 | H14 | 160.1° | 60.0° |
| C16 | C15 | C14 | H15 | 40.3° | 60.0° |
| C16 | C15 | H16 | H17 | 119.4° | 120.1° |
| C15 | C16 | C18 | H18 | 0.5° | 0.2° |
| C15 | C16 | C17 | H21 | 0.4° | 0.0° |
| C15 | C14 | C13 | H14 | 120.1° | 120.1° |
| C15 | C14 | C13 | H15 | 120.0° | 120.0° |
| C15 | C14 | C13 | C2 | 173.0° | 180.0° |
| C15 | C14 | C13 | H12 | 52.6° | 60.0° |
| C15 | C14 | C13 | H13 | 66.5° | 60.0° |
| C15 | C14 | H14 | H15 | 119.9° | 119.9° |
| C14 | C15 | H16 | H17 | 119.4° | 119.9° |
| C11 | N9 | O10 | C4 | 178.5° | 179.9° |
| C11 | N9 | C4 | O12 | 179.8° | 0.0° |
| C11 | N9 | C4 | C3 | 5.1° | 180.0° |
| N9 | C11 | H8 | H9 | 120.0° | 120.0° |
| N9 | C11 | H8 | H10 | 120.0° | 120.0° |
| N9 | C11 | H9 | H10 | 120.0° | 120.0° |
| C11 | N9 | O10 | H11 | 179.3° | 0.1° |
| O10 | N9 | C4 | O12 | 1.8° | 180.0° |
| O10 | N9 | C4 | C3 | 176.5° | 0.1° |
| O10 | N9 | C11 | H8 | 180.0° | 90.0° |
| O10 | N9 | C11 | H9 | 60.0° | 30.0° |
| O10 | N9 | C11 | H10 | 60.0° | 150.0° |
| C14 | C13 | C2 | H12 | 120.4° | 120.0° |
| C14 | C13 | C2 | H13 | 120.4° | 120.0° |
| C14 | C13 | C2 | C3 | 65.2° | 175.0° |
| C14 | C13 | C2 | C1 | 58.8° | 65.0° |
| C14 | C13 | C2 | H5 | 176.9° | 55.0° |
| C14 | C13 | H12 | H13 | 118.6° | 119.9° |
| C13 | C14 | H14 | H15 | 119.9° | 120.0° |
| C13 | C14 | C15 | H16 | 40.4° | 60.0° |
| C13 | C14 | C15 | H17 | 160.0° | 60.0° |
| C13 | C2 | C3 | C4 | 91.6° | 176.7° |
| C13 | C2 | C3 | C1 | 124.0° | 120.0° |
| C13 | C2 | C3 | H5 | 117.9° | 120.0° |
| C13 | C2 | C1 | H5 | 117.8° | 120.0° |
| C13 | C2 | C1 | P5 | 96.9° | 66.9° |
| C13 | C2 | C1 | H3 | 23.1° | 53.1° |
| C13 | C2 | C1 | H4 | 143.1° | 173.1° |
| C13 | C2 | C3 | H6 | 28.3° | 63.3° |
| C13 | C2 | C3 | H7 | 148.5° | 56.7° |
| C2 | C13 | H12 | H13 | 118.7° | 120.1° |
| C2 | C13 | C14 | H14 | 66.9° | 60.0° |
| C2 | C13 | C14 | H15 | 53.0° | 60.0° |
| N9 | C4 | O12 | C3 | 174.8° | 180.0° |
| N9 | C4 | C3 | C2 | 98.4° | 173.5° |
| N9 | C4 | C3 | H6 | 21.4° | 53.5° |
| N9 | C4 | C3 | H7 | 141.7° | 66.5° |
| C4 | N9 | C11 | H8 | 1.6° | 90.0° |
| C4 | N9 | C11 | H9 | 121.5° | 150.0° |
| C4 | N9 | C11 | H10 | 118.4° | 29.9° |
| C4 | N9 | O10 | H11 | 0.8° | 180.0° |
| O8 | P5 | C1 | C2 | 37.0° | 60.4° |
| O8 | P5 | C1 | O6 | 119.9° | 120.0° |
| O8 | P5 | C1 | O7 | 120.3° | 119.9° |
| O8 | P5 | O6 | O7 | 120.6° | 120.0° |
| O8 | P5 | O7 | H1 | 0.0° | 180.0° |
| O8 | P5 | O6 | H2 | 0.0° | 60.0° |
| O8 | P5 | C1 | H3 | 83.0° | 179.6° |
| O8 | P5 | C1 | H4 | 157.0° | 59.5° |
| O12 | C4 | C3 | C2 | 76.4° | 6.5° |
| O12 | C4 | C3 | H6 | 163.8° | 126.5° |
| O12 | C4 | C3 | H7 | 43.5° | 113.5° |
| C4 | C3 | C2 | H6 | 119.9° | 120.0° |
| C4 | C3 | C2 | H7 | 119.9° | 120.0° |
| C4 | C3 | C2 | C1 | 144.4° | 63.4° |
| C4 | C3 | C2 | H5 | 26.3° | 56.6° |
| C4 | C3 | H6 | H7 | 120.4° | 120.0° |
| C3 | C2 | C1 | H5 | 117.9° | 120.0° |
| C3 | C2 | C1 | P5 | 138.8° | 53.1° |
| C3 | C2 | C1 | H3 | 101.2° | 173.1° |
| C3 | C2 | C1 | H4 | 18.8° | 66.9° |
| C2 | C3 | H6 | H7 | 120.4° | 120.0° |
| C3 | C2 | C13 | H12 | 55.2° | 55.1° |
| C3 | C2 | C13 | H13 | 174.4° | 65.0° |
| C2 | C1 | P5 | H3 | 120.0° | 120.0° |
| C2 | C1 | P5 | H4 | 120.0° | 120.0° |
| C2 | C1 | P5 | O6 | 156.9° | 179.6° |
| C2 | C1 | P5 | O7 | 83.3° | 59.5° |
| C2 | C1 | H3 | H4 | 120.1° | 120.0° |
| C1 | C2 | C3 | H6 | 95.7° | 56.7° |
| C1 | C2 | C3 | H7 | 24.5° | 176.7° |
| C1 | C2 | C13 | H12 | 179.3° | 175.0° |
| C1 | C2 | C13 | H13 | 61.6° | 55.0° |
| C1 | P5 | O6 | O7 | 119.4° | 120.0° |
| C1 | P5 | O7 | H1 | 120.4° | 60.0° |
| C1 | P5 | O6 | H2 | 120.1° | 180.0° |
| P5 | C1 | H3 | H4 | 120.1° | 120.0° |
| P5 | C1 | C2 | H5 | 20.9° | 173.1° |
| O6 | P5 | O7 | H1 | 120.5° | 60.0° |
| O6 | P5 | C1 | H3 | 36.9° | 59.6° |
| O6 | P5 | C1 | H4 | 83.1° | 60.5° |
| O7 | P5 | O6 | H2 | 120.6° | 59.9° |
| O7 | P5 | C1 | H3 | 156.7° | 60.5° |
| O7 | P5 | C1 | H4 | 36.6° | 179.5° |
| H3 | C1 | C2 | H5 | 140.9° | 66.9° |
| H4 | C1 | C2 | H5 | 99.1° | 53.1° |
| H5 | C2 | C3 | H6 | 146.2° | 176.7° |
| H5 | C2 | C3 | H7 | 93.6° | 63.3° |
| H5 | C2 | C13 | H12 | 62.7° | 65.0° |
| H5 | C2 | C13 | H13 | 56.4° | 175.0° |
| H8 | C11 | H9 | H10 | 120.0° | 120.0° |
| H12 | C13 | C14 | H14 | 172.6° | 180.0° |
| H12 | C13 | C14 | H15 | 67.5° | 60.0° |
| H13 | C13 | C14 | H14 | 53.5° | 60.1° |
| H13 | C13 | C14 | H15 | 173.4° | 180.0° |
| H14 | C14 | C15 | H16 | 79.7° | 180.0° |
| H14 | C14 | C15 | H17 | 40.0° | 60.1° |
| H15 | C14 | C15 | H16 | 160.4° | 60.0° |
| H15 | C14 | C15 | H17 | 79.9° | 180.0° |
| H18 | C18 | C20 | H19 | 0.4° | 0.1° |
| H19 | C20 | C21 | H20 | 0.1° | 0.0° |
| H22 | C22 | H23 | H24 | 120.0° | 119.9° |
