A1L25
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O27 | C25 | doub | 1.21Å | 1.26Å | |
| C25 | C20 | sing | 1.51Å | 1.53Å | |
| C25 | O26 | sing | 1.34Å | 1.27Å | |
| C20 | C28 | sing | 1.53Å | 1.54Å | |
| C20 | N18 | sing | 1.47Å | 1.45Å | |
| O19 | C17 | doub | 1.22Å | 1.18Å | |
| C28 | C29 | sing | 1.53Å | 1.53Å | |
| N18 | C17 | sing | 1.35Å | 1.46Å | |
| C17 | C14 | sing | 1.48Å | 1.53Å | |
| O32 | C30 | doub | 1.21Å | 1.26Å | |
| C13 | C14 | doub | 1.40Å | 1.53Å | Aromatic |
| C13 | C12 | sing | 1.38Å | 1.32Å | Aromatic |
| C29 | C30 | sing | 1.51Å | 1.53Å | |
| C14 | C15 | sing | 1.40Å | 1.33Å | Aromatic |
| C30 | O31 | sing | 1.34Å | 1.27Å | |
| C12 | C11 | doub | 1.39Å | 1.53Å | Aromatic |
| C15 | C16 | doub | 1.38Å | 1.52Å | Aromatic |
| C11 | C16 | sing | 1.39Å | 1.31Å | Aromatic |
| C11 | N10 | sing | 1.39Å | 1.44Å | |
| C16 | C24 | sing | 1.51Å | 1.54Å | |
| O07 | C08 | doub | 1.22Å | 1.19Å | |
| O21 | C03 | doub | 1.22Å | 1.40Å | |
| N10 | C08 | sing | 1.35Å | 1.44Å | |
| C08 | N22 | sing | 1.35Å | 1.45Å | |
| C03 | N02 | sing | 1.35Å | 1.39Å | |
| C03 | C04 | sing | 1.40Å | 1.43Å | |
| N02 | C01 | sing | 1.36Å | 1.34Å | |
| N22 | C04 | sing | 1.41Å | 1.45Å | |
| C04 | C05 | doub | 1.39Å | 1.35Å | |
| C01 | N09 | sing | 1.37Å | 1.45Å | |
| C01 | N06 | doub | 1.31Å | 1.42Å | |
| C05 | N06 | sing | 1.34Å | 1.39Å | |
| C05 | N23 | sing | 1.38Å | 1.43Å | |
| C13 | H1 | sing | 1.08Å | 1.08Å | |
| C15 | H2 | sing | 1.08Å | 1.08Å | |
| C24 | H3 | sing | 1.09Å | 1.10Å | |
| C24 | H4 | sing | 1.09Å | 1.10Å | |
| C24 | H5 | sing | 1.09Å | 1.10Å | |
| C28 | H6 | sing | 1.09Å | 1.10Å | |
| C28 | H7 | sing | 1.09Å | 1.10Å | |
| C12 | H8 | sing | 1.08Å | 1.08Å | |
| C20 | H9 | sing | 1.09Å | 1.10Å | |
| C29 | H10 | sing | 1.09Å | 1.10Å | |
| C29 | H11 | sing | 1.09Å | 1.10Å | |
| N09 | H13 | sing | 0.97Å | 1.00Å | |
| N09 | H14 | sing | 0.97Å | 1.00Å | |
| N10 | H15 | sing | 0.97Å | 1.00Å | |
| N18 | H16 | sing | 0.97Å | 1.00Å | |
| N22 | H17 | sing | 0.97Å | 1.00Å | |
| N23 | H18 | sing | 0.97Å | 1.00Å | |
| N23 | H19 | sing | 0.97Å | 1.00Å | |
| O26 | H20 | sing | 0.97Å | 0.95Å | |
| O31 | H21 | sing | 0.97Å | 0.95Å | |
| N02 | H22 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O27 | C25 | C20 | 119.7° | 120.0° |
| O27 | C25 | O26 | 120.1° | 120.0° |
| C20 | C25 | O26 | 120.2° | 120.0° |
| C25 | C20 | C28 | 112.0° | 109.5° |
| C25 | C20 | N18 | 106.1° | 109.5° |
| C25 | C20 | H9 | 107.6° | 109.5° |
| C25 | O26 | H20 | 109.5° | 116.9° |
| C28 | C20 | N18 | 114.7° | 109.5° |
| C20 | C28 | C29 | 113.7° | 109.5° |
| C20 | C28 | H6 | 108.4° | 109.4° |
| C20 | C28 | H7 | 108.4° | 109.4° |
| C28 | C20 | H9 | 107.5° | 109.5° |
| C20 | N18 | C17 | 124.2° | 120.0° |
| N18 | C20 | H9 | 108.6° | 109.4° |
| C20 | N18 | H16 | 117.9° | 120.0° |
| O19 | C17 | N18 | 121.5° | 120.0° |
| O19 | C17 | C14 | 121.0° | 120.0° |
| C28 | C29 | C30 | 109.1° | 109.5° |
| C29 | C28 | H6 | 108.4° | 109.5° |
| C29 | C28 | H7 | 108.4° | 109.5° |
| C28 | C29 | H10 | 109.6° | 109.4° |
| C28 | C29 | H11 | 109.6° | 109.5° |
| N18 | C17 | C14 | 117.5° | 120.0° |
| C17 | N18 | H16 | 117.9° | 120.0° |
| C17 | C14 | C13 | 118.8° | 120.1° |
| C17 | C14 | C15 | 120.4° | 120.1° |
| O32 | C30 | C29 | 119.4° | 120.0° |
| O32 | C30 | O31 | 119.6° | 120.0° |
| C14 | C13 | C12 | 119.3° | 119.9° |
| C13 | C14 | C15 | 120.8° | 119.9° |
| C14 | C13 | H1 | 120.4° | 120.0° |
| C13 | C12 | C11 | 119.5° | 120.1° |
| C12 | C13 | H1 | 120.3° | 120.1° |
| C13 | C12 | H8 | 120.3° | 120.0° |
| C29 | C30 | O31 | 120.9° | 120.0° |
| C30 | C29 | H10 | 109.6° | 109.5° |
| C30 | C29 | H11 | 109.6° | 109.5° |
| C14 | C15 | C16 | 119.5° | 119.9° |
| C14 | C15 | H2 | 120.3° | 120.0° |
| C30 | O31 | H21 | 109.5° | 117.0° |
| C12 | C11 | C16 | 121.7° | 120.1° |
| C12 | C11 | N10 | 121.3° | 119.9° |
| C11 | C12 | H8 | 120.2° | 120.0° |
| C15 | C16 | C11 | 119.3° | 120.1° |
| C15 | C16 | C24 | 122.4° | 120.0° |
| C16 | C15 | H2 | 120.3° | 120.1° |
| C16 | C11 | N10 | 117.0° | 119.9° |
| C11 | C16 | C24 | 118.3° | 120.0° |
| C11 | N10 | C08 | 123.8° | 120.0° |
| C11 | N10 | H15 | 118.1° | 120.0° |
| C16 | C24 | H3 | 109.5° | 109.5° |
| C16 | C24 | H4 | 109.5° | 109.5° |
| C16 | C24 | H5 | 109.5° | 109.5° |
| O07 | C08 | N10 | 122.5° | 120.0° |
| O07 | C08 | N22 | 121.8° | 120.0° |
| O21 | C03 | N02 | 121.4° | 120.6° |
| O21 | C03 | C04 | 119.6° | 120.6° |
| N10 | C08 | N22 | 115.7° | 120.0° |
| C08 | N10 | H15 | 118.1° | 120.0° |
| C08 | N22 | C04 | 118.7° | 120.0° |
| C08 | N22 | H17 | 120.6° | 120.0° |
| N02 | C03 | C04 | 119.0° | 118.8° |
| C03 | N02 | C01 | 120.7° | 120.2° |
| C03 | N02 | H22 | 119.6° | 119.9° |
| C03 | C04 | N22 | 119.6° | 120.7° |
| C03 | C04 | C05 | 120.0° | 118.7° |
| N02 | C01 | N09 | 118.0° | 119.3° |
| N02 | C01 | N06 | 120.3° | 121.5° |
| C01 | N02 | H22 | 119.6° | 120.0° |
| N22 | C04 | C05 | 120.4° | 120.6° |
| C04 | N22 | H17 | 120.7° | 120.1° |
| C04 | C05 | N06 | 120.5° | 119.6° |
| C04 | C05 | N23 | 117.5° | 120.2° |
| N09 | C01 | N06 | 121.7° | 119.3° |
| C01 | N09 | H13 | 120.0° | 120.0° |
| C01 | N09 | H14 | 120.0° | 120.0° |
| C01 | N06 | C05 | 119.4° | 121.3° |
| N06 | C05 | N23 | 122.0° | 120.2° |
| C05 | N23 | H18 | 109.5° | 120.0° |
| C05 | N23 | H19 | 109.5° | 120.0° |
| H3 | C24 | H4 | 109.4° | 109.5° |
| H3 | C24 | H5 | 109.5° | 109.5° |
| H4 | C24 | H5 | 109.5° | 109.4° |
| H6 | C28 | H7 | 109.5° | 109.5° |
| H10 | C29 | H11 | 109.5° | 109.4° |
| H13 | N09 | H14 | 120.0° | 120.0° |
| H18 | N23 | H19 | 109.4° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O27 | C25 | C20 | O26 | 177.4° | 180.0° |
| O27 | C25 | C20 | C28 | 66.9° | 120.0° |
| O27 | C25 | C20 | N18 | 167.2° | 0.0° |
| O27 | C25 | C20 | H9 | 51.1° | 120.0° |
| O27 | C25 | O26 | H20 | 0.0° | 0.0° |
| C25 | C20 | C28 | N18 | 121.1° | 120.0° |
| C25 | C20 | C28 | H9 | 118.0° | 120.0° |
| C25 | C20 | N18 | H9 | 115.4° | 120.0° |
| C25 | C20 | C28 | C29 | 96.7° | 175.0° |
| C25 | C20 | N18 | C17 | 155.1° | 85.0° |
| C25 | C20 | C28 | H6 | 23.9° | 65.0° |
| C25 | C20 | C28 | H7 | 142.6° | 55.0° |
| C25 | C20 | N18 | H16 | 24.9° | 95.0° |
| C20 | C25 | O26 | H20 | 177.4° | 180.0° |
| O26 | C25 | C20 | C28 | 115.7° | 60.0° |
| O26 | C25 | C20 | N18 | 10.2° | 180.0° |
| O26 | C25 | C20 | H9 | 126.3° | 60.0° |
| C28 | C20 | N18 | H9 | 120.3° | 120.0° |
| C20 | C28 | C29 | H6 | 120.6° | 119.9° |
| C20 | C28 | C29 | H7 | 120.6° | 120.0° |
| C28 | C20 | N18 | C17 | 80.6° | 155.0° |
| C20 | C28 | C29 | C30 | 157.5° | 180.0° |
| C20 | C28 | H6 | H7 | 118.0° | 119.9° |
| C20 | C28 | C29 | H10 | 37.6° | 60.0° |
| C20 | C28 | C29 | H11 | 82.5° | 59.9° |
| C28 | C20 | N18 | H16 | 99.4° | 25.0° |
| C20 | N18 | C17 | O19 | 1.4° | 0.0° |
| N18 | C20 | C28 | C29 | 24.4° | 64.9° |
| C20 | N18 | C17 | H16 | 180.0° | 180.0° |
| C20 | N18 | C17 | C14 | 179.6° | 180.0° |
| N18 | C20 | C28 | H6 | 145.0° | 55.0° |
| N18 | C20 | C28 | H7 | 96.3° | 175.0° |
| O19 | C17 | N18 | C14 | 179.1° | 180.0° |
| O19 | C17 | C14 | C13 | 23.9° | 180.0° |
| O19 | C17 | C14 | C15 | 156.5° | 0.3° |
| O19 | C17 | N18 | H16 | 178.6° | 180.0° |
| C28 | C29 | C30 | O32 | 29.8° | 0.1° |
| C28 | C29 | C30 | H10 | 119.9° | 119.9° |
| C28 | C29 | C30 | H11 | 119.9° | 120.0° |
| C28 | C29 | C30 | O31 | 150.3° | 180.0° |
| C29 | C28 | H6 | H7 | 118.1° | 120.1° |
| C29 | C28 | C20 | H9 | 145.3° | 55.0° |
| C28 | C29 | H10 | H11 | 120.2° | 119.9° |
| N18 | C17 | C14 | C13 | 157.0° | 0.0° |
| N18 | C17 | C14 | C15 | 22.6° | 179.7° |
| C17 | N18 | C20 | H9 | 39.7° | 35.0° |
| C17 | C14 | C13 | C15 | 179.6° | 179.7° |
| C17 | C14 | C13 | C12 | 178.9° | 180.0° |
| C17 | C14 | C15 | C16 | 178.7° | 179.7° |
| C17 | C14 | C13 | H1 | 1.1° | 0.3° |
| C17 | C14 | C15 | H2 | 1.3° | 0.4° |
| C14 | C17 | N18 | H16 | 0.5° | 0.0° |
| O32 | C30 | C29 | O31 | 180.0° | 179.9° |
| O32 | C30 | C29 | H10 | 90.1° | 120.0° |
| O32 | C30 | C29 | H11 | 149.7° | 120.0° |
| O32 | C30 | O31 | H21 | 0.0° | 0.0° |
| C14 | C13 | C12 | H1 | 180.0° | 179.7° |
| C14 | C13 | C12 | C11 | 0.9° | 0.0° |
| C13 | C14 | C15 | C16 | 0.9° | 0.7° |
| C13 | C14 | C15 | H2 | 179.1° | 180.0° |
| C14 | C13 | C12 | H8 | 179.1° | 180.0° |
| C12 | C13 | C14 | C15 | 0.7° | 0.3° |
| C13 | C12 | C11 | H8 | 180.0° | 180.0° |
| C13 | C12 | C11 | C16 | 1.6° | 0.0° |
| C13 | C12 | C11 | N10 | 179.5° | 179.7° |
| C30 | C29 | C28 | H6 | 81.8° | 60.1° |
| C30 | C29 | C28 | H7 | 36.9° | 59.9° |
| C30 | C29 | H10 | H11 | 120.2° | 120.1° |
| C29 | C30 | O31 | H21 | 180.0° | 180.0° |
| C14 | C15 | C16 | H2 | 180.0° | 179.3° |
| C14 | C15 | C16 | C11 | 1.5° | 0.7° |
| C14 | C15 | C16 | C24 | 179.3° | 179.4° |
| C15 | C14 | C13 | H1 | 179.3° | 179.9° |
| O31 | C30 | C29 | H10 | 89.8° | 60.1° |
| O31 | C30 | C29 | H11 | 30.3° | 60.0° |
| C12 | C11 | C16 | C15 | 1.8° | 0.3° |
| C12 | C11 | C16 | N10 | 178.0° | 179.7° |
| C12 | C11 | C16 | C24 | 179.7° | 179.7° |
| C12 | C11 | N10 | C08 | 32.4° | 31.5° |
| C11 | C12 | C13 | H1 | 179.1° | 179.7° |
| C12 | C11 | N10 | H15 | 147.6° | 148.6° |
| C15 | C16 | C11 | C24 | 177.9° | 179.9° |
| C15 | C16 | C11 | N10 | 179.8° | 180.0° |
| C15 | C16 | C24 | H3 | 88.9° | 90.0° |
| C15 | C16 | C24 | H4 | 151.2° | 30.0° |
| C15 | C16 | C24 | H5 | 31.2° | 149.9° |
| C16 | C11 | N10 | C08 | 149.5° | 148.8° |
| C11 | C16 | C15 | H2 | 178.5° | 180.0° |
| C11 | C16 | C24 | H3 | 89.0° | 90.0° |
| C11 | C16 | C24 | H4 | 31.0° | 150.0° |
| C11 | C16 | C24 | H5 | 151.0° | 30.0° |
| C16 | C11 | C12 | H8 | 178.4° | 180.0° |
| C16 | C11 | N10 | H15 | 30.4° | 31.1° |
| N10 | C11 | C16 | C24 | 2.3° | 0.0° |
| C11 | N10 | C08 | O07 | 1.3° | 5.2° |
| C11 | N10 | C08 | H15 | 180.0° | 179.9° |
| C11 | N10 | C08 | N22 | 179.0° | 174.7° |
| N10 | C11 | C12 | H8 | 0.5° | 0.3° |
| C24 | C16 | C15 | H2 | 0.7° | 0.1° |
| C16 | C24 | H3 | H4 | 120.0° | 120.0° |
| C16 | C24 | H3 | H5 | 120.0° | 120.0° |
| C16 | C24 | H4 | H5 | 120.0° | 120.0° |
| O07 | C08 | N10 | N22 | 179.7° | 179.9° |
| O07 | C08 | N22 | C04 | 0.4° | 5.3° |
| O07 | C08 | N10 | H15 | 178.7° | 174.7° |
| O07 | C08 | N22 | H17 | 179.6° | 174.7° |
| O21 | C03 | N02 | C04 | 179.9° | 180.0° |
| O21 | C03 | N02 | C01 | 179.9° | 180.0° |
| O21 | C03 | C04 | N22 | 0.1° | 0.0° |
| O21 | C03 | C04 | C05 | 180.0° | 179.7° |
| O21 | C03 | N02 | H22 | 0.1° | 0.0° |
| N10 | C08 | N22 | C04 | 179.9° | 174.7° |
| N10 | C08 | N22 | H17 | 0.1° | 5.4° |
| C08 | N22 | C04 | C03 | 86.4° | 60.0° |
| C08 | N22 | C04 | H17 | 180.0° | 180.0° |
| C08 | N22 | C04 | C05 | 93.5° | 120.3° |
| N22 | C08 | N10 | H15 | 1.0° | 5.4° |
| C03 | N02 | C01 | H22 | 180.0° | 180.0° |
| N02 | C03 | C04 | N22 | 179.9° | 180.0° |
| N02 | C03 | C04 | C05 | 0.0° | 0.3° |
| C03 | N02 | C01 | N09 | 179.9° | 180.0° |
| C03 | N02 | C01 | N06 | 0.1° | 0.3° |
| C04 | C03 | N02 | C01 | 0.1° | 0.0° |
| C03 | C04 | N22 | C05 | 179.9° | 179.7° |
| C03 | C04 | C05 | N06 | 0.0° | 0.3° |
| C03 | C04 | C05 | N23 | 178.9° | 180.0° |
| C03 | C04 | N22 | H17 | 93.6° | 120.0° |
| C04 | C03 | N02 | H22 | 179.9° | 180.0° |
| N02 | C01 | N09 | N06 | 180.0° | 179.7° |
| N02 | C01 | N06 | C05 | 0.1° | 0.3° |
| N02 | C01 | N09 | H13 | 180.0° | 179.7° |
| N02 | C01 | N09 | H14 | 0.0° | 0.3° |
| N22 | C04 | C05 | N06 | 179.9° | 180.0° |
| N22 | C04 | C05 | N23 | 1.0° | 0.2° |
| C04 | C05 | N06 | C01 | 0.1° | 0.0° |
| C04 | C05 | N06 | N23 | 178.8° | 179.8° |
| C05 | C04 | N22 | H17 | 86.5° | 59.7° |
| C04 | C05 | N23 | H18 | 178.9° | 0.1° |
| C04 | C05 | N23 | H19 | 61.2° | 180.0° |
| N09 | C01 | N06 | C05 | 179.9° | 180.0° |
| C01 | N09 | H13 | H14 | 180.0° | 180.0° |
| N09 | C01 | N02 | H22 | 0.1° | 0.0° |
| C01 | N06 | C05 | N23 | 178.8° | 179.7° |
| N06 | C01 | N09 | H13 | 0.0° | 0.0° |
| N06 | C01 | N09 | H14 | 180.0° | 180.0° |
| N06 | C01 | N02 | H22 | 179.8° | 179.7° |
| N06 | C05 | N23 | H18 | 0.0° | 179.7° |
| N06 | C05 | N23 | H19 | 120.0° | 0.2° |
| C05 | N23 | H18 | H19 | 120.0° | 179.9° |
| H1 | C13 | C12 | H8 | 0.9° | 0.3° |
| H3 | C24 | H4 | H5 | 120.0° | 120.0° |
| H6 | C28 | C20 | H9 | 94.1° | 175.0° |
| H6 | C28 | C29 | H10 | 158.2° | 179.9° |
| H6 | C28 | C29 | H11 | 38.1° | 60.0° |
| H7 | C28 | C20 | H9 | 24.6° | 65.1° |
| H7 | C28 | C29 | H10 | 83.0° | 60.0° |
| H7 | C28 | C29 | H11 | 156.8° | 180.0° |
| H9 | C20 | N18 | H16 | 140.3° | 145.0° |
