A1L20
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C16 | C15 | sing | 1.51Å | 1.56Å | |
| C15 | O17 | doub | 1.21Å | 1.19Å | |
| C15 | N11 | sing | 1.35Å | 1.51Å | |
| C20 | C14 | sing | 1.53Å | 1.54Å | |
| C20 | C19 | sing | 1.53Å | 1.53Å | |
| N11 | C14 | sing | 1.47Å | 1.51Å | |
| N11 | C09 | sing | 1.47Å | 1.48Å | |
| C14 | C19 | sing | 1.53Å | 1.54Å | |
| O18 | C10 | doub | 1.21Å | 1.21Å | |
| C10 | C09 | sing | 1.51Å | 1.53Å | |
| C10 | N12 | sing | 1.35Å | 1.48Å | |
| C09 | C03 | sing | 1.51Å | 1.54Å | |
| C13 | N12 | sing | 1.47Å | 1.45Å | |
| C13 | C24 | sing | 1.54Å | 1.36Å | |
| C13 | C21 | sing | 1.54Å | 1.70Å | |
| C24 | C23 | sing | 1.54Å | 1.63Å | |
| C03 | C02 | doub | 1.38Å | 1.40Å | Aromatic |
| C03 | C04 | sing | 1.38Å | 1.40Å | Aromatic |
| C21 | C22 | sing | 1.55Å | 1.37Å | |
| C02 | C01 | sing | 1.39Å | 1.39Å | Aromatic |
| C23 | C22 | sing | 1.55Å | 1.61Å | |
| C04 | C05 | doub | 1.38Å | 1.40Å | Aromatic |
| C01 | F07 | sing | 1.35Å | 1.36Å | |
| C01 | C06 | doub | 1.38Å | 1.39Å | Aromatic |
| C05 | C06 | sing | 1.38Å | 1.39Å | Aromatic |
| C05 | F08 | sing | 1.35Å | 1.37Å | |
| N12 | H1 | sing | 0.97Å | 1.00Å | |
| C13 | H2 | sing | 1.09Å | 1.10Å | |
| C20 | H3 | sing | 1.09Å | 1.10Å | |
| C20 | H4 | sing | 1.09Å | 1.10Å | |
| C21 | H5 | sing | 1.09Å | 1.10Å | |
| C21 | H6 | sing | 1.09Å | 1.10Å | |
| C22 | H7 | sing | 1.09Å | 1.10Å | |
| C22 | H8 | sing | 1.09Å | 1.10Å | |
| C24 | H9 | sing | 1.09Å | 1.10Å | |
| C24 | H10 | sing | 1.09Å | 1.10Å | |
| C02 | H11 | sing | 1.08Å | 1.08Å | |
| C04 | H12 | sing | 1.08Å | 1.08Å | |
| C06 | H13 | sing | 1.08Å | 1.08Å | |
| C09 | H14 | sing | 1.09Å | 1.10Å | |
| C14 | H15 | sing | 1.09Å | 1.10Å | |
| C16 | H16 | sing | 1.09Å | 1.10Å | |
| C16 | H17 | sing | 1.09Å | 1.10Å | |
| C19 | H19 | sing | 1.09Å | 1.10Å | |
| C19 | H20 | sing | 1.09Å | 1.10Å | |
| C23 | H21 | sing | 1.09Å | 1.10Å | |
| C23 | H22 | sing | 1.09Å | 1.10Å | |
| C16 | CL1 | sing | 1.80Å | 1.78Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C16 | C15 | O17 | 116.7° | 120.0° |
| C16 | C15 | N11 | 125.9° | 120.0° |
| C15 | C16 | H16 | 104.8° | 109.5° |
| C15 | C16 | H17 | 104.8° | 109.5° |
| C15 | C16 | CL1 | 127.4° | 109.5° |
| O17 | C15 | N11 | 117.4° | 120.0° |
| C15 | N11 | C14 | 122.1° | 120.0° |
| C15 | N11 | C09 | 114.7° | 120.0° |
| C14 | C20 | C19 | 60.5° | 60.0° |
| C20 | C14 | N11 | 119.2° | 117.5° |
| C20 | C14 | C19 | 59.5° | 60.0° |
| C14 | C20 | H3 | 119.9° | 117.5° |
| C14 | C20 | H4 | 119.9° | 117.5° |
| C20 | C14 | H15 | 115.0° | 117.6° |
| C20 | C19 | C14 | 60.0° | 60.0° |
| C19 | C20 | H3 | 119.9° | 117.5° |
| C19 | C20 | H4 | 119.9° | 117.5° |
| C20 | C19 | H19 | 120.0° | 117.5° |
| C20 | C19 | H20 | 120.0° | 117.5° |
| C14 | N11 | C09 | 123.0° | 120.0° |
| N11 | C14 | C19 | 121.3° | 117.5° |
| N11 | C14 | H15 | 115.4° | 115.5° |
| N11 | C09 | C10 | 106.4° | 109.5° |
| N11 | C09 | C03 | 117.3° | 109.5° |
| N11 | C09 | H14 | 109.2° | 109.5° |
| C19 | C14 | H15 | 114.9° | 117.5° |
| C14 | C19 | H19 | 120.0° | 117.5° |
| C14 | C19 | H20 | 120.0° | 117.5° |
| O18 | C10 | C09 | 120.3° | 120.0° |
| O18 | C10 | N12 | 121.7° | 120.0° |
| C09 | C10 | N12 | 118.1° | 120.0° |
| C10 | C09 | C03 | 106.8° | 109.4° |
| C10 | C09 | H14 | 108.5° | 109.5° |
| C10 | N12 | C13 | 122.6° | 120.0° |
| C10 | N12 | H1 | 118.7° | 120.0° |
| C09 | C03 | C02 | 120.3° | 119.9° |
| C09 | C03 | C04 | 119.6° | 120.0° |
| C03 | C09 | H14 | 108.4° | 109.5° |
| N12 | C13 | C24 | 110.4° | 110.0° |
| N12 | C13 | C21 | 106.9° | 110.0° |
| C13 | N12 | H1 | 118.7° | 120.0° |
| N12 | C13 | H2 | 112.6° | 110.0° |
| C24 | C13 | C21 | 103.0° | 106.6° |
| C13 | C24 | C23 | 103.0° | 106.6° |
| C24 | C13 | H2 | 114.2° | 110.1° |
| C13 | C24 | H9 | 111.1° | 110.0° |
| C13 | C24 | H10 | 111.0° | 110.0° |
| C13 | C21 | C22 | 105.1° | 104.2° |
| C21 | C13 | H2 | 109.1° | 110.1° |
| C13 | C21 | H5 | 110.6° | 110.4° |
| C13 | C21 | H6 | 110.5° | 110.5° |
| C24 | C23 | C22 | 105.4° | 104.3° |
| C23 | C24 | H9 | 111.0° | 110.1° |
| C23 | C24 | H10 | 111.1° | 110.1° |
| C24 | C23 | H21 | 110.5° | 110.5° |
| C24 | C23 | H22 | 110.5° | 110.4° |
| C02 | C03 | C04 | 120.0° | 120.1° |
| C03 | C02 | C01 | 119.6° | 120.0° |
| C03 | C02 | H11 | 120.2° | 120.0° |
| C03 | C04 | C05 | 119.8° | 120.0° |
| C03 | C04 | H12 | 120.1° | 120.0° |
| C21 | C22 | C23 | 104.4° | 102.7° |
| C22 | C21 | H5 | 110.6° | 110.5° |
| C22 | C21 | H6 | 110.6° | 110.5° |
| C21 | C22 | H7 | 110.7° | 110.8° |
| C21 | C22 | H8 | 110.7° | 110.7° |
| C02 | C01 | F07 | 120.5° | 120.0° |
| C02 | C01 | C06 | 120.6° | 120.0° |
| C01 | C02 | H11 | 120.2° | 120.0° |
| C23 | C22 | H7 | 110.7° | 110.8° |
| C23 | C22 | H8 | 110.7° | 111.0° |
| C22 | C23 | H21 | 110.5° | 110.5° |
| C22 | C23 | H22 | 110.5° | 110.5° |
| C04 | C05 | C06 | 120.1° | 119.9° |
| C04 | C05 | F08 | 121.0° | 120.0° |
| C05 | C04 | H12 | 120.1° | 120.0° |
| F07 | C01 | C06 | 118.9° | 120.1° |
| C01 | C06 | C05 | 119.8° | 120.0° |
| C01 | C06 | H13 | 120.1° | 120.0° |
| C06 | C05 | F08 | 118.9° | 120.0° |
| C05 | C06 | H13 | 120.1° | 120.0° |
| H3 | C20 | H4 | 109.5° | 115.6° |
| H5 | C21 | H6 | 109.5° | 110.5° |
| H7 | C22 | H8 | 109.5° | 110.7° |
| H9 | C24 | H10 | 109.5° | 110.1° |
| H16 | C16 | H17 | 109.4° | 109.4° |
| H16 | C16 | CL1 | 104.8° | 109.5° |
| H17 | C16 | CL1 | 104.8° | 109.5° |
| H19 | C19 | H20 | 109.5° | 115.6° |
| H21 | C23 | H22 | 109.5° | 110.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C16 | C15 | O17 | N11 | 179.7° | 179.9° |
| C16 | C15 | N11 | C14 | 2.5° | 173.7° |
| C16 | C15 | N11 | C09 | 177.1° | 6.3° |
| C15 | C16 | H16 | H17 | 112.0° | 120.0° |
| C15 | C16 | H16 | CL1 | 136.1° | 120.0° |
| C15 | C16 | H17 | CL1 | 136.1° | 120.0° |
| O17 | C15 | N11 | C14 | 177.9° | 6.2° |
| O17 | C15 | N11 | C09 | 3.2° | 173.8° |
| O17 | C15 | C16 | H16 | 37.8° | 120.0° |
| O17 | C15 | C16 | H17 | 153.0° | 120.0° |
| O17 | C15 | C16 | CL1 | 84.6° | 0.0° |
| C15 | N11 | C14 | C20 | 55.9° | 63.4° |
| C15 | N11 | C14 | C09 | 174.2° | 180.0° |
| C15 | N11 | C14 | C19 | 126.0° | 5.2° |
| C15 | N11 | C09 | C10 | 79.2° | 124.2° |
| C15 | N11 | C09 | C03 | 161.4° | 115.8° |
| C15 | N11 | C09 | H14 | 37.7° | 4.2° |
| C15 | N11 | C14 | H15 | 87.5° | 150.8° |
| N11 | C15 | C16 | H16 | 141.9° | 59.9° |
| N11 | C15 | C16 | H17 | 26.6° | 60.0° |
| N11 | C15 | C16 | CL1 | 95.7° | 180.0° |
| C14 | C20 | C19 | H3 | 109.6° | 107.5° |
| C14 | C20 | C19 | H4 | 109.6° | 107.5° |
| C20 | C14 | N11 | C19 | 70.1° | 68.6° |
| C20 | C14 | N11 | H15 | 143.4° | 145.8° |
| C20 | C14 | N11 | C09 | 129.9° | 116.6° |
| C20 | C14 | C19 | H15 | 105.6° | 107.6° |
| C14 | C20 | H3 | H4 | 144.4° | 145.6° |
| C14 | C20 | C19 | H19 | 109.5° | 107.5° |
| C14 | C20 | C19 | H20 | 109.4° | 107.5° |
| C19 | C20 | H3 | H4 | 144.5° | 145.7° |
| C20 | C19 | H19 | H20 | 144.7° | 145.7° |
| N11 | C14 | C19 | H15 | 146.7° | 144.9° |
| C14 | N11 | C09 | C10 | 95.4° | 55.8° |
| C14 | N11 | C09 | C03 | 24.0° | 64.1° |
| N11 | C14 | C20 | H3 | 139.2° | 145.0° |
| N11 | C14 | C20 | H4 | 1.5° | 0.0° |
| C14 | N11 | C09 | H14 | 147.7° | 175.8° |
| N11 | C14 | C19 | H19 | 142.8° | 145.0° |
| N11 | C14 | C19 | H20 | 1.7° | 0.0° |
| C09 | N11 | C14 | C19 | 59.8° | 174.8° |
| N11 | C09 | C10 | O18 | 17.2° | 20.2° |
| N11 | C09 | C10 | C03 | 126.0° | 120.0° |
| N11 | C09 | C10 | H14 | 117.3° | 120.0° |
| N11 | C09 | C10 | N12 | 162.6° | 160.0° |
| N11 | C09 | C03 | H14 | 124.1° | 120.0° |
| N11 | C09 | C03 | C02 | 81.7° | 39.8° |
| N11 | C09 | C03 | C04 | 99.8° | 140.3° |
| C09 | N11 | C14 | H15 | 86.7° | 29.2° |
| C14 | C19 | H19 | H20 | 144.8° | 145.7° |
| O18 | C10 | C09 | N12 | 179.8° | 179.8° |
| O18 | C10 | C09 | C03 | 108.8° | 99.7° |
| O18 | C10 | N12 | C13 | 1.3° | 0.2° |
| O18 | C10 | N12 | H1 | 178.7° | 179.7° |
| O18 | C10 | C09 | H14 | 134.5° | 140.2° |
| C10 | C09 | C03 | H14 | 116.7° | 120.0° |
| C09 | C10 | N12 | C13 | 178.9° | 180.0° |
| C10 | C09 | C03 | C02 | 37.4° | 159.8° |
| C10 | C09 | C03 | C04 | 141.1° | 20.3° |
| C09 | C10 | N12 | H1 | 1.1° | 0.0° |
| N12 | C10 | C09 | C03 | 71.4° | 80.0° |
| C10 | N12 | C13 | H1 | 180.0° | 180.0° |
| C10 | N12 | C13 | C24 | 150.6° | 155.0° |
| C10 | N12 | C13 | C21 | 98.0° | 87.8° |
| C10 | N12 | C13 | H2 | 21.8° | 33.6° |
| N12 | C10 | C09 | H14 | 45.3° | 40.0° |
| C09 | C03 | C02 | C04 | 178.5° | 179.9° |
| C09 | C03 | C02 | C01 | 179.3° | 179.9° |
| C09 | C03 | C04 | C05 | 179.0° | 179.9° |
| C09 | C03 | C02 | H11 | 0.7° | 0.1° |
| C09 | C03 | C04 | H12 | 1.0° | 0.1° |
| N12 | C13 | C24 | C21 | 113.9° | 119.3° |
| N12 | C13 | C24 | H2 | 128.0° | 121.4° |
| N12 | C13 | C21 | H2 | 122.0° | 121.4° |
| N12 | C13 | C24 | C23 | 75.4° | 119.3° |
| N12 | C13 | C21 | C22 | 70.6° | 95.7° |
| N12 | C13 | C21 | H5 | 170.1° | 145.7° |
| N12 | C13 | C21 | H6 | 48.7° | 23.0° |
| N12 | C13 | C24 | H9 | 43.5° | 0.0° |
| N12 | C13 | C24 | H10 | 165.6° | 121.4° |
| C24 | C13 | C21 | H2 | 121.7° | 119.3° |
| C13 | C24 | C23 | H9 | 118.9° | 119.2° |
| C13 | C24 | C23 | H10 | 118.9° | 119.2° |
| C24 | C13 | C21 | C22 | 45.8° | 23.6° |
| C13 | C24 | C23 | C22 | 23.9° | 23.6° |
| C24 | C13 | N12 | H1 | 29.4° | 25.0° |
| C24 | C13 | C21 | H5 | 73.5° | 95.1° |
| C24 | C13 | C21 | H6 | 165.1° | 142.3° |
| C13 | C24 | H9 | H10 | 123.0° | 121.3° |
| C13 | C24 | C23 | H21 | 95.4° | 95.1° |
| C13 | C24 | C23 | H22 | 143.3° | 142.3° |
| C21 | C13 | C24 | C23 | 38.4° | 0.0° |
| C13 | C21 | C22 | H5 | 119.3° | 118.6° |
| C13 | C21 | C22 | H6 | 119.3° | 118.8° |
| C13 | C21 | C22 | C23 | 27.4° | 37.9° |
| C21 | C13 | N12 | H1 | 82.0° | 92.1° |
| C13 | C21 | H5 | H6 | 122.0° | 122.6° |
| C13 | C21 | C22 | H7 | 146.6° | 156.3° |
| C13 | C21 | C22 | H8 | 91.8° | 80.6° |
| C21 | C13 | C24 | H9 | 157.4° | 119.3° |
| C21 | C13 | C24 | H10 | 80.5° | 119.3° |
| C24 | C23 | C22 | C21 | 5.8° | 37.9° |
| C24 | C23 | C22 | H21 | 119.4° | 118.7° |
| C24 | C23 | C22 | H22 | 119.3° | 118.6° |
| C23 | C24 | C13 | H2 | 156.6° | 119.3° |
| C24 | C23 | C22 | H7 | 125.0° | 156.3° |
| C24 | C23 | C22 | H8 | 113.4° | 80.4° |
| C23 | C24 | H9 | H10 | 123.0° | 121.5° |
| C24 | C23 | H21 | H22 | 121.9° | 122.5° |
| C03 | C02 | C01 | H11 | 180.0° | 180.0° |
| C02 | C03 | C04 | C05 | 2.5° | 0.0° |
| C03 | C02 | C01 | F07 | 178.7° | 179.9° |
| C03 | C02 | C01 | C06 | 1.0° | 0.2° |
| C02 | C03 | C04 | H12 | 177.5° | 180.0° |
| C02 | C03 | C09 | H14 | 154.2° | 80.2° |
| C04 | C03 | C02 | C01 | 2.2° | 0.0° |
| C03 | C04 | C05 | H12 | 180.0° | 180.0° |
| C03 | C04 | C05 | C06 | 1.6° | 0.2° |
| C03 | C04 | C05 | F08 | 178.5° | 180.0° |
| C04 | C03 | C02 | H11 | 177.8° | 180.0° |
| C04 | C03 | C09 | H14 | 24.3° | 99.7° |
| C21 | C22 | C23 | H7 | 119.2° | 118.3° |
| C21 | C22 | C23 | H8 | 119.2° | 118.3° |
| C22 | C21 | C13 | H2 | 167.5° | 142.9° |
| C22 | C21 | H5 | H6 | 122.0° | 122.6° |
| C21 | C22 | H7 | H8 | 122.4° | 123.1° |
| C21 | C22 | C23 | H21 | 125.2° | 80.8° |
| C21 | C22 | C23 | H22 | 113.6° | 156.6° |
| C02 | C01 | F07 | C06 | 179.6° | 179.7° |
| C02 | C01 | C06 | C05 | 0.0° | 0.5° |
| C02 | C01 | C06 | H13 | 180.0° | 179.7° |
| C23 | C22 | C21 | H5 | 92.0° | 80.7° |
| C23 | C22 | C21 | H6 | 146.7° | 156.7° |
| C23 | C22 | H7 | H8 | 122.3° | 123.5° |
| C22 | C23 | C24 | H9 | 142.9° | 95.6° |
| C22 | C23 | C24 | H10 | 95.0° | 142.9° |
| C22 | C23 | H21 | H22 | 121.8° | 122.6° |
| C04 | C05 | C06 | C01 | 0.3° | 0.5° |
| C04 | C05 | C06 | F08 | 179.9° | 179.8° |
| C04 | C05 | C06 | H13 | 179.7° | 179.7° |
| F07 | C01 | C06 | C05 | 179.6° | 179.8° |
| F07 | C01 | C02 | H11 | 1.3° | 0.0° |
| F07 | C01 | C06 | H13 | 0.4° | 0.1° |
| C01 | C06 | C05 | H13 | 180.0° | 179.7° |
| C01 | C06 | C05 | F08 | 179.7° | 179.7° |
| C06 | C01 | C02 | H11 | 179.0° | 179.7° |
| C06 | C05 | C04 | H12 | 178.4° | 179.7° |
| F08 | C05 | C04 | H12 | 1.5° | 0.0° |
| F08 | C05 | C06 | H13 | 0.3° | 0.0° |
| H1 | N12 | C13 | H2 | 158.2° | 146.4° |
| H2 | C13 | C21 | H5 | 48.1° | 24.3° |
| H2 | C13 | C21 | H6 | 73.2° | 98.4° |
| H2 | C13 | C24 | H9 | 84.5° | 121.4° |
| H2 | C13 | C24 | H10 | 37.6° | 0.0° |
| H3 | C20 | C14 | H15 | 4.3° | 0.1° |
| H3 | C20 | C19 | H19 | 0.1° | 0.0° |
| H3 | C20 | C19 | H20 | 141.0° | 145.0° |
| H4 | C20 | C14 | H15 | 145.1° | 145.0° |
| H4 | C20 | C19 | H19 | 140.9° | 145.1° |
| H4 | C20 | C19 | H20 | 0.1° | 0.0° |
| H5 | C21 | C22 | H7 | 27.2° | 37.6° |
| H5 | C21 | C22 | H8 | 148.9° | 160.8° |
| H6 | C21 | C22 | H7 | 94.1° | 85.0° |
| H6 | C21 | C22 | H8 | 27.5° | 38.2° |
| H7 | C22 | C23 | H21 | 115.6° | 37.5° |
| H7 | C22 | C23 | H22 | 5.6° | 85.1° |
| H8 | C22 | C23 | H21 | 6.0° | 160.9° |
| H8 | C22 | C23 | H22 | 127.2° | 38.3° |
| H9 | C24 | C23 | H21 | 23.5° | 145.7° |
| H9 | C24 | C23 | H22 | 97.8° | 23.1° |
| H10 | C24 | C23 | H21 | 145.6° | 24.2° |
| H10 | C24 | C23 | H22 | 24.3° | 98.4° |
| H15 | C14 | C19 | H19 | 3.9° | 0.1° |
| H15 | C14 | C19 | H20 | 145.0° | 144.9° |
| H16 | C16 | H17 | CL1 | 112.0° | 120.0° |
