A1L5L
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O04 | C03 | doub | 1.21Å | 1.18Å | |
| C03 | N05 | sing | 1.35Å | 1.44Å | |
| C03 | C02 | sing | 1.51Å | 1.53Å | |
| F31 | C07 | sing | 1.35Å | 1.36Å | |
| N05 | C06 | sing | 1.40Å | 1.47Å | |
| C02 | C01 | sing | 1.53Å | 1.53Å | |
| C07 | C06 | doub | 1.39Å | 1.41Å | Aromatic |
| C07 | C08 | sing | 1.38Å | 1.39Å | Aromatic |
| C06 | C11 | sing | 1.39Å | 1.38Å | Aromatic |
| C08 | C09 | doub | 1.38Å | 1.41Å | Aromatic |
| C11 | C01 | sing | 1.51Å | 1.55Å | |
| C11 | C10 | doub | 1.39Å | 1.43Å | Aromatic |
| C09 | C10 | sing | 1.39Å | 1.39Å | Aromatic |
| C10 | O12 | sing | 1.36Å | 1.42Å | |
| O12 | C13 | sing | 1.43Å | 1.42Å | |
| C13 | C14 | sing | 1.53Å | 1.56Å | |
| O30 | C14 | sing | 1.43Å | 1.48Å | |
| C15 | C14 | sing | 1.53Å | 1.45Å | |
| C15 | C16 | sing | 1.53Å | 1.53Å | |
| C14 | C19 | sing | 1.53Å | 1.49Å | |
| C16 | N17 | sing | 1.47Å | 1.55Å | |
| C19 | O20 | sing | 1.43Å | 1.43Å | |
| C19 | C18 | sing | 1.53Å | 1.54Å | |
| N17 | C18 | sing | 1.47Å | 1.54Å | |
| N17 | C21 | sing | 1.40Å | 1.48Å | |
| F27 | C26 | sing | 1.35Å | 1.37Å | |
| C21 | C26 | doub | 1.39Å | 1.38Å | Aromatic |
| C21 | C22 | sing | 1.39Å | 1.38Å | Aromatic |
| C26 | C25 | sing | 1.38Å | 1.39Å | Aromatic |
| F29 | C22 | sing | 1.35Å | 1.36Å | |
| C22 | C23 | doub | 1.38Å | 1.39Å | Aromatic |
| C25 | C24 | doub | 1.38Å | 1.38Å | Aromatic |
| C23 | C24 | sing | 1.38Å | 1.39Å | Aromatic |
| C24 | CL28 | sing | 1.74Å | 1.79Å | |
| C01 | H1 | sing | 1.09Å | 1.10Å | |
| C01 | H2 | sing | 1.09Å | 1.10Å | |
| C02 | H3 | sing | 1.09Å | 1.10Å | |
| C02 | H4 | sing | 1.09Å | 1.10Å | |
| C08 | H5 | sing | 1.08Å | 1.08Å | |
| C09 | H6 | sing | 1.08Å | 1.08Å | |
| C13 | H7 | sing | 1.09Å | 1.10Å | |
| C13 | H8 | sing | 1.09Å | 1.10Å | |
| C15 | H9 | sing | 1.09Å | 1.10Å | |
| C15 | H10 | sing | 1.09Å | 1.10Å | |
| C16 | H11 | sing | 1.09Å | 1.10Å | |
| C16 | H12 | sing | 1.09Å | 1.10Å | |
| C18 | H13 | sing | 1.09Å | 1.10Å | |
| C18 | H14 | sing | 1.09Å | 1.10Å | |
| C19 | H15 | sing | 1.09Å | 1.10Å | |
| C23 | H16 | sing | 1.08Å | 1.08Å | |
| C25 | H17 | sing | 1.08Å | 1.08Å | |
| N05 | H18 | sing | 0.97Å | 1.00Å | |
| O20 | H19 | sing | 0.97Å | 0.95Å | |
| O30 | H20 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O04 | C03 | N05 | 121.6° | 119.6° |
| O04 | C03 | C02 | 121.5° | 119.6° |
| N05 | C03 | C02 | 116.9° | 120.8° |
| C03 | N05 | C06 | 122.2° | 120.5° |
| C03 | N05 | H18 | 118.9° | 119.8° |
| C03 | C02 | C01 | 116.8° | 109.9° |
| C03 | C02 | H3 | 107.6° | 109.4° |
| C03 | C02 | H4 | 107.6° | 109.3° |
| F31 | C07 | C06 | 119.8° | 120.0° |
| F31 | C07 | C08 | 120.1° | 120.0° |
| N05 | C06 | C07 | 118.6° | 120.2° |
| N05 | C06 | C11 | 121.1° | 119.9° |
| C06 | N05 | H18 | 118.9° | 119.7° |
| C02 | C01 | C11 | 114.4° | 109.5° |
| C02 | C01 | H1 | 108.2° | 109.5° |
| C02 | C01 | H2 | 108.2° | 109.5° |
| C01 | C02 | H3 | 107.6° | 109.4° |
| C01 | C02 | H4 | 107.6° | 109.4° |
| C06 | C07 | C08 | 120.1° | 120.0° |
| C07 | C06 | C11 | 120.2° | 119.9° |
| C07 | C08 | C09 | 119.8° | 120.1° |
| C07 | C08 | H5 | 120.0° | 120.0° |
| C06 | C11 | C01 | 120.3° | 119.9° |
| C06 | C11 | C10 | 119.8° | 119.9° |
| C08 | C09 | C10 | 120.1° | 120.1° |
| C09 | C08 | H5 | 120.1° | 119.9° |
| C08 | C09 | H6 | 120.0° | 120.0° |
| C01 | C11 | C10 | 119.9° | 120.2° |
| C11 | C01 | H1 | 108.2° | 109.4° |
| C11 | C01 | H2 | 108.3° | 109.4° |
| C11 | C10 | C09 | 119.9° | 119.9° |
| C11 | C10 | O12 | 120.2° | 120.0° |
| C09 | C10 | O12 | 119.8° | 120.0° |
| C10 | C09 | H6 | 119.9° | 119.9° |
| C10 | O12 | C13 | 116.8° | 117.0° |
| O12 | C13 | C14 | 105.9° | 109.4° |
| O12 | C13 | H7 | 110.4° | 109.5° |
| O12 | C13 | H8 | 110.4° | 109.5° |
| C13 | C14 | O30 | 108.5° | 109.6° |
| C13 | C14 | C15 | 109.2° | 109.5° |
| C13 | C14 | C19 | 109.0° | 109.5° |
| C14 | C13 | H7 | 110.3° | 109.4° |
| C14 | C13 | H8 | 110.4° | 109.4° |
| O30 | C14 | C15 | 107.7° | 109.6° |
| O30 | C14 | C19 | 107.7° | 109.5° |
| C14 | O30 | H20 | 109.5° | 114.0° |
| C14 | C15 | C16 | 110.6° | 109.3° |
| C15 | C14 | C19 | 114.6° | 109.1° |
| C14 | C15 | H9 | 109.2° | 109.5° |
| C14 | C15 | H10 | 109.2° | 109.5° |
| C15 | C16 | N17 | 111.2° | 109.5° |
| C16 | C15 | H9 | 109.2° | 109.5° |
| C16 | C15 | H10 | 109.2° | 109.5° |
| C15 | C16 | H11 | 109.1° | 109.5° |
| C15 | C16 | H12 | 109.0° | 109.5° |
| C14 | C19 | O20 | 108.5° | 109.5° |
| C14 | C19 | C18 | 115.6° | 109.3° |
| C14 | C19 | H15 | 108.0° | 109.5° |
| C16 | N17 | C18 | 111.4° | 111.2° |
| C16 | N17 | C21 | 121.6° | 111.0° |
| N17 | C16 | H11 | 109.0° | 109.5° |
| N17 | C16 | H12 | 109.1° | 109.5° |
| O20 | C19 | C18 | 108.2° | 109.5° |
| O20 | C19 | H15 | 108.9° | 109.5° |
| C19 | O20 | H19 | 109.5° | 114.0° |
| C19 | C18 | N17 | 116.3° | 109.5° |
| C19 | C18 | H13 | 107.7° | 109.5° |
| C19 | C18 | H14 | 107.7° | 109.4° |
| C18 | C19 | H15 | 107.5° | 109.5° |
| C18 | N17 | C21 | 121.9° | 111.0° |
| N17 | C18 | H13 | 107.7° | 109.5° |
| N17 | C18 | H14 | 107.7° | 109.4° |
| N17 | C21 | C26 | 120.3° | 120.1° |
| N17 | C21 | C22 | 119.7° | 120.0° |
| F27 | C26 | C21 | 120.4° | 120.0° |
| F27 | C26 | C25 | 119.7° | 120.0° |
| C26 | C21 | C22 | 120.1° | 119.9° |
| C21 | C26 | C25 | 119.9° | 119.9° |
| C21 | C22 | F29 | 119.9° | 120.1° |
| C21 | C22 | C23 | 120.1° | 119.9° |
| C26 | C25 | C24 | 120.1° | 120.1° |
| C26 | C25 | H17 | 119.9° | 120.0° |
| F29 | C22 | C23 | 120.0° | 120.0° |
| C22 | C23 | C24 | 119.7° | 120.1° |
| C22 | C23 | H16 | 120.1° | 119.9° |
| C25 | C24 | C23 | 120.1° | 120.2° |
| C25 | C24 | CL28 | 119.8° | 119.9° |
| C24 | C25 | H17 | 119.9° | 120.0° |
| C23 | C24 | CL28 | 120.1° | 119.9° |
| C24 | C23 | H16 | 120.1° | 120.0° |
| H1 | C01 | H2 | 109.5° | 109.5° |
| H3 | C02 | H4 | 109.5° | 109.4° |
| H7 | C13 | H8 | 109.5° | 109.5° |
| H9 | C15 | H10 | 109.5° | 109.5° |
| H11 | C16 | H12 | 109.4° | 109.4° |
| H13 | C18 | H14 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O04 | C03 | N05 | C02 | 179.3° | 180.0° |
| O04 | C03 | N05 | C06 | 179.7° | 179.2° |
| O04 | C03 | C02 | C01 | 157.3° | 144.8° |
| O04 | C03 | C02 | H3 | 36.2° | 24.7° |
| O04 | C03 | C02 | H4 | 81.7° | 95.1° |
| O04 | C03 | N05 | H18 | 0.3° | 0.7° |
| C03 | N05 | C06 | H18 | 180.0° | 180.0° |
| N05 | C03 | C02 | C01 | 23.4° | 35.2° |
| C03 | N05 | C06 | C07 | 168.4° | 161.4° |
| C03 | N05 | C06 | C11 | 11.8° | 18.5° |
| N05 | C03 | C02 | H3 | 144.5° | 155.3° |
| N05 | C03 | C02 | H4 | 97.6° | 84.9° |
| C02 | C03 | N05 | C06 | 0.4° | 0.8° |
| C03 | C02 | C01 | H3 | 121.0° | 120.1° |
| C03 | C02 | C01 | H4 | 121.1° | 120.0° |
| C03 | C02 | C01 | C11 | 33.8° | 48.6° |
| C03 | C02 | C01 | H1 | 86.9° | 168.6° |
| C03 | C02 | C01 | H2 | 154.5° | 71.4° |
| C03 | C02 | H3 | H4 | 116.7° | 119.8° |
| C02 | C03 | N05 | H18 | 179.6° | 179.3° |
| F31 | C07 | C06 | N05 | 0.3° | 0.0° |
| F31 | C07 | C06 | C08 | 179.7° | 180.0° |
| F31 | C07 | C06 | C11 | 179.9° | 180.0° |
| F31 | C07 | C08 | C09 | 179.9° | 180.0° |
| F31 | C07 | C08 | H5 | 0.1° | 0.1° |
| N05 | C06 | C07 | C11 | 179.8° | 180.0° |
| N05 | C06 | C07 | C08 | 179.9° | 179.9° |
| N05 | C06 | C11 | C01 | 0.1° | 0.0° |
| N05 | C06 | C11 | C10 | 179.7° | 179.9° |
| C02 | C01 | C11 | C06 | 22.6° | 34.0° |
| C02 | C01 | C11 | H1 | 120.7° | 120.0° |
| C02 | C01 | C11 | H2 | 120.7° | 120.0° |
| C02 | C01 | C11 | C10 | 157.9° | 146.0° |
| C02 | C01 | H1 | H2 | 117.7° | 120.0° |
| C01 | C02 | H3 | H4 | 116.7° | 119.8° |
| C06 | C07 | C08 | C09 | 0.2° | 0.1° |
| C07 | C06 | C11 | C01 | 179.7° | 180.0° |
| C07 | C06 | C11 | C10 | 0.1° | 0.0° |
| C06 | C07 | C08 | H5 | 179.8° | 180.0° |
| C07 | C06 | N05 | H18 | 11.6° | 18.6° |
| C08 | C07 | C06 | C11 | 0.3° | 0.0° |
| C07 | C08 | C09 | H5 | 180.0° | 179.9° |
| C07 | C08 | C09 | C10 | 0.2° | 0.1° |
| C07 | C08 | C09 | H6 | 179.8° | 180.0° |
| C06 | C11 | C01 | C10 | 179.5° | 180.0° |
| C06 | C11 | C10 | C09 | 0.6° | 0.0° |
| C06 | C11 | C10 | O12 | 179.2° | 180.0° |
| C06 | C11 | C01 | H1 | 98.1° | 154.0° |
| C06 | C11 | C01 | H2 | 143.3° | 86.0° |
| C11 | C06 | N05 | H18 | 168.1° | 161.4° |
| C08 | C09 | C10 | C11 | 0.6° | 0.1° |
| C08 | C09 | C10 | H6 | 180.0° | 179.9° |
| C08 | C09 | C10 | O12 | 179.3° | 179.9° |
| C01 | C11 | C10 | C09 | 179.9° | 180.0° |
| C01 | C11 | C10 | O12 | 1.2° | 0.0° |
| C11 | C01 | H1 | H2 | 117.8° | 119.9° |
| C11 | C01 | C02 | H3 | 154.8° | 168.7° |
| C11 | C01 | C02 | H4 | 87.3° | 71.4° |
| C11 | C10 | C09 | O12 | 178.6° | 180.0° |
| C11 | C10 | O12 | C13 | 93.5° | 180.0° |
| C10 | C11 | C01 | H1 | 81.4° | 26.0° |
| C10 | C11 | C01 | H2 | 37.1° | 94.0° |
| C11 | C10 | C09 | H6 | 179.4° | 180.0° |
| C09 | C10 | O12 | C13 | 87.9° | 0.0° |
| C10 | C09 | C08 | H5 | 179.8° | 180.0° |
| C10 | O12 | C13 | C14 | 164.1° | 180.0° |
| O12 | C10 | C09 | H6 | 0.7° | 0.0° |
| C10 | O12 | C13 | H7 | 76.5° | 60.0° |
| C10 | O12 | C13 | H8 | 44.7° | 60.0° |
| O12 | C13 | C14 | H7 | 119.4° | 120.0° |
| O12 | C13 | C14 | H8 | 119.4° | 120.0° |
| O12 | C13 | C14 | O30 | 5.9° | 64.9° |
| O12 | C13 | C14 | C15 | 111.2° | 55.4° |
| O12 | C13 | C14 | C19 | 123.0° | 175.0° |
| O12 | C13 | H7 | H8 | 121.7° | 120.1° |
| C13 | C14 | O30 | C15 | 118.1° | 120.2° |
| C13 | C14 | O30 | C19 | 117.9° | 120.2° |
| C13 | C14 | C15 | C19 | 122.6° | 119.9° |
| C13 | C14 | C15 | C16 | 169.5° | 62.2° |
| C13 | C14 | C19 | O20 | 121.7° | 177.8° |
| C13 | C14 | C19 | C18 | 116.6° | 62.2° |
| C14 | C13 | H7 | H8 | 121.7° | 119.9° |
| C13 | C14 | C15 | H9 | 49.4° | 57.7° |
| C13 | C14 | C15 | H10 | 70.3° | 177.8° |
| C13 | C14 | C19 | H15 | 3.8° | 57.7° |
| C13 | C14 | O30 | H20 | 180.0° | 60.0° |
| O30 | C14 | C15 | C19 | 119.8° | 119.9° |
| O30 | C14 | C15 | C16 | 72.8° | 177.6° |
| O30 | C14 | C19 | O20 | 4.1° | 57.6° |
| O30 | C14 | C19 | C18 | 125.9° | 177.6° |
| O30 | C14 | C13 | H7 | 113.5° | 175.1° |
| O30 | C14 | C13 | H8 | 125.4° | 55.1° |
| O30 | C14 | C15 | H9 | 167.0° | 62.5° |
| O30 | C14 | C15 | H10 | 47.3° | 57.6° |
| O30 | C14 | C19 | H15 | 113.7° | 62.4° |
| C14 | C15 | C16 | H9 | 120.1° | 119.9° |
| C14 | C15 | C16 | H10 | 120.2° | 120.0° |
| C14 | C15 | C16 | N17 | 67.2° | 59.2° |
| C15 | C14 | C19 | O20 | 115.7° | 62.3° |
| C15 | C14 | C19 | C18 | 6.1° | 57.7° |
| C15 | C14 | C13 | H7 | 129.4° | 64.7° |
| C15 | C14 | C13 | H8 | 8.2° | 175.4° |
| C14 | C15 | H9 | H10 | 119.5° | 120.1° |
| C14 | C15 | C16 | H11 | 172.5° | 60.8° |
| C14 | C15 | C16 | H12 | 53.1° | 179.2° |
| C15 | C14 | C19 | H15 | 126.5° | 177.6° |
| C15 | C14 | O30 | H20 | 62.0° | 60.2° |
| C16 | C15 | C14 | C19 | 47.0° | 57.7° |
| C15 | C16 | N17 | H11 | 120.3° | 120.1° |
| C15 | C16 | N17 | H12 | 120.3° | 120.0° |
| C15 | C16 | N17 | C18 | 29.8° | 61.7° |
| C15 | C16 | N17 | C21 | 125.3° | 174.1° |
| C16 | C15 | H9 | H10 | 119.5° | 120.1° |
| C15 | C16 | H11 | H12 | 119.2° | 120.0° |
| C14 | C19 | O20 | C18 | 126.2° | 119.8° |
| C14 | C19 | O20 | H15 | 117.3° | 120.1° |
| C14 | C19 | C18 | H15 | 120.7° | 120.0° |
| C14 | C19 | C18 | N17 | 42.4° | 59.1° |
| C19 | C14 | C13 | H7 | 3.5° | 55.0° |
| C19 | C14 | C13 | H8 | 117.6° | 65.0° |
| C19 | C14 | C15 | H9 | 73.2° | 177.6° |
| C19 | C14 | C15 | H10 | 167.1° | 62.3° |
| C14 | C19 | C18 | H13 | 163.4° | 179.2° |
| C14 | C19 | C18 | H14 | 78.6° | 60.8° |
| C14 | C19 | O20 | H19 | 180.0° | 180.0° |
| C19 | C14 | O30 | H20 | 62.1° | 179.9° |
| C16 | N17 | C18 | C19 | 21.7° | 61.7° |
| C16 | N17 | C18 | C21 | 155.0° | 124.2° |
| C16 | N17 | C21 | C26 | 96.9° | 116.0° |
| C16 | N17 | C21 | C22 | 82.6° | 63.7° |
| N17 | C16 | C15 | H9 | 52.9° | 179.1° |
| N17 | C16 | C15 | H10 | 172.6° | 60.8° |
| N17 | C16 | H11 | H12 | 119.2° | 119.9° |
| C16 | N17 | C18 | H13 | 142.7° | 178.3° |
| C16 | N17 | C18 | H14 | 99.3° | 58.3° |
| O20 | C19 | C18 | H15 | 117.4° | 120.1° |
| O20 | C19 | C18 | N17 | 79.5° | 60.8° |
| O20 | C19 | C18 | H13 | 41.5° | 59.2° |
| O20 | C19 | C18 | H14 | 159.5° | 179.2° |
| C19 | C18 | N17 | H13 | 121.0° | 120.1° |
| C19 | C18 | N17 | H14 | 121.0° | 120.0° |
| C19 | C18 | N17 | C21 | 176.7° | 174.1° |
| C19 | C18 | H13 | H14 | 116.9° | 120.0° |
| C18 | C19 | O20 | H19 | 53.8° | 60.2° |
| C18 | N17 | C21 | C26 | 55.6° | 119.7° |
| C18 | N17 | C21 | C22 | 125.0° | 60.6° |
| C18 | N17 | C16 | H11 | 150.1° | 58.3° |
| C18 | N17 | C16 | H12 | 90.5° | 178.2° |
| N17 | C18 | H13 | H14 | 116.9° | 120.0° |
| N17 | C18 | C19 | H15 | 163.1° | 179.1° |
| N17 | C21 | C26 | F27 | 0.3° | 0.3° |
| N17 | C21 | C26 | C22 | 179.4° | 179.7° |
| N17 | C21 | C26 | C25 | 179.8° | 179.7° |
| N17 | C21 | C22 | F29 | 0.4° | 0.3° |
| N17 | C21 | C22 | C23 | 179.9° | 179.7° |
| C21 | N17 | C16 | H11 | 5.0° | 65.8° |
| C21 | N17 | C16 | H12 | 114.4° | 54.1° |
| C21 | N17 | C18 | H13 | 62.2° | 54.1° |
| C21 | N17 | C18 | H14 | 55.7° | 65.9° |
| F27 | C26 | C21 | C25 | 179.9° | 180.0° |
| F27 | C26 | C21 | C22 | 179.7° | 180.0° |
| F27 | C26 | C25 | C24 | 179.9° | 180.0° |
| F27 | C26 | C25 | H17 | 0.1° | 0.1° |
| C26 | C21 | C22 | F29 | 179.9° | 180.0° |
| C26 | C21 | C22 | C23 | 0.5° | 0.1° |
| C21 | C26 | C25 | C24 | 0.2° | 0.0° |
| C21 | C26 | C25 | H17 | 179.8° | 179.9° |
| C22 | C21 | C26 | C25 | 0.4° | 0.0° |
| C21 | C22 | F29 | C23 | 179.6° | 179.9° |
| C21 | C22 | C23 | C24 | 0.4° | 0.1° |
| C21 | C22 | C23 | H16 | 179.6° | 180.0° |
| C26 | C25 | C24 | H17 | 180.0° | 179.9° |
| C26 | C25 | C24 | C23 | 0.1° | 0.0° |
| C26 | C25 | C24 | CL28 | 179.9° | 180.0° |
| F29 | C22 | C23 | C24 | 180.0° | 180.0° |
| F29 | C22 | C23 | H16 | 0.0° | 0.1° |
| C22 | C23 | C24 | C25 | 0.2° | 0.1° |
| C22 | C23 | C24 | H16 | 180.0° | 179.9° |
| C22 | C23 | C24 | CL28 | 180.0° | 180.0° |
| C25 | C24 | C23 | CL28 | 179.8° | 180.0° |
| C25 | C24 | C23 | H16 | 179.8° | 180.0° |
| C23 | C24 | C25 | H17 | 179.9° | 179.9° |
| CL28 | C24 | C23 | H16 | 0.0° | 0.0° |
| CL28 | C24 | C25 | H17 | 0.1° | 0.1° |
| H1 | C01 | C02 | H3 | 34.1° | 71.3° |
| H1 | C01 | C02 | H4 | 152.0° | 48.6° |
| H2 | C01 | C02 | H3 | 84.4° | 48.7° |
| H2 | C01 | C02 | H4 | 33.4° | 168.6° |
| H5 | C08 | C09 | H6 | 0.2° | 0.1° |
| H9 | C15 | C16 | H11 | 67.3° | 59.0° |
| H9 | C15 | C16 | H12 | 173.2° | 60.9° |
| H10 | C15 | C16 | H11 | 52.4° | 179.2° |
| H10 | C15 | C16 | H12 | 67.1° | 59.3° |
| H13 | C18 | C19 | H15 | 75.9° | 60.8° |
| H14 | C18 | C19 | H15 | 42.1° | 59.2° |
| H15 | C19 | O20 | H19 | 62.7° | 59.9° |
