A1L23
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N11 | C04 | sing | 1.38Å | 1.44Å | |
| N03 | C04 | sing | 1.34Å | 1.33Å | |
| N03 | C02 | doub | 1.31Å | 1.33Å | |
| C04 | C05 | doub | 1.39Å | 1.39Å | |
| N31 | C02 | sing | 1.37Å | 1.45Å | |
| C02 | N01 | sing | 1.36Å | 1.33Å | |
| C05 | N07 | sing | 1.41Å | 1.44Å | |
| C05 | C06 | sing | 1.40Å | 1.39Å | |
| N07 | C08 | sing | 1.35Å | 1.45Å | |
| N01 | C06 | sing | 1.35Å | 1.32Å | |
| CL32 | C17 | sing | 1.74Å | 1.78Å | |
| C06 | O30 | doub | 1.22Å | 1.21Å | |
| C08 | N09 | sing | 1.35Å | 1.44Å | |
| C08 | O12 | doub | 1.22Å | 1.20Å | |
| N09 | C10 | sing | 1.39Å | 1.45Å | |
| C17 | C10 | sing | 1.39Å | 1.37Å | Aromatic |
| C17 | C16 | doub | 1.38Å | 1.39Å | Aromatic |
| C10 | C13 | doub | 1.39Å | 1.38Å | Aromatic |
| C16 | C15 | sing | 1.40Å | 1.38Å | Aromatic |
| O29 | C27 | doub | 1.21Å | 1.27Å | |
| C13 | C14 | sing | 1.38Å | 1.39Å | Aromatic |
| O28 | C27 | sing | 1.34Å | 1.26Å | |
| C27 | C26 | sing | 1.51Å | 1.53Å | |
| C15 | C14 | doub | 1.40Å | 1.39Å | Aromatic |
| C15 | C18 | sing | 1.48Å | 1.53Å | |
| N20 | C18 | sing | 1.35Å | 1.46Å | |
| N20 | C21 | sing | 1.47Å | 1.46Å | |
| C26 | C23 | sing | 1.53Å | 1.52Å | |
| C18 | O19 | doub | 1.22Å | 1.20Å | |
| O24 | C22 | doub | 1.21Å | 1.26Å | |
| C23 | C21 | sing | 1.53Å | 1.52Å | |
| C21 | C22 | sing | 1.51Å | 1.52Å | |
| C22 | O25 | sing | 1.34Å | 1.25Å | |
| C13 | H1 | sing | 1.08Å | 1.08Å | |
| C21 | H2 | sing | 1.09Å | 1.10Å | |
| C26 | H3 | sing | 1.09Å | 1.10Å | |
| C26 | H4 | sing | 1.09Å | 1.10Å | |
| C14 | H6 | sing | 1.08Å | 1.08Å | |
| C16 | H7 | sing | 1.08Å | 1.08Å | |
| C23 | H8 | sing | 1.09Å | 1.10Å | |
| C23 | H9 | sing | 1.09Å | 1.10Å | |
| N07 | H10 | sing | 0.97Å | 1.00Å | |
| N09 | H11 | sing | 0.97Å | 1.00Å | |
| N11 | H12 | sing | 0.97Å | 1.00Å | |
| N11 | H13 | sing | 0.97Å | 1.00Å | |
| N20 | H14 | sing | 0.97Å | 1.00Å | |
| N31 | H15 | sing | 0.97Å | 1.00Å | |
| N31 | H16 | sing | 0.97Å | 1.00Å | |
| O25 | H17 | sing | 0.97Å | 0.95Å | |
| O28 | H18 | sing | 0.97Å | 0.95Å | |
| N01 | H5 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N11 | C04 | N03 | 121.4° | 120.2° |
| N11 | C04 | C05 | 118.0° | 120.2° |
| C04 | N11 | H12 | 109.5° | 120.0° |
| C04 | N11 | H13 | 109.5° | 120.0° |
| C04 | N03 | C02 | 118.0° | 121.2° |
| N03 | C04 | C05 | 120.6° | 119.7° |
| N03 | C02 | N31 | 119.2° | 119.3° |
| N03 | C02 | N01 | 122.7° | 121.5° |
| C04 | C05 | N07 | 122.2° | 120.7° |
| C04 | C05 | C06 | 119.5° | 118.7° |
| N31 | C02 | N01 | 118.1° | 119.2° |
| C02 | N31 | H15 | 120.0° | 120.1° |
| C02 | N31 | H16 | 120.0° | 119.9° |
| C02 | N01 | C06 | 122.4° | 120.2° |
| C02 | N01 | H5 | 118.8° | 120.0° |
| N07 | C05 | C06 | 118.2° | 120.7° |
| C05 | N07 | C08 | 119.7° | 120.0° |
| C05 | N07 | H10 | 120.1° | 120.0° |
| C05 | C06 | N01 | 116.8° | 118.8° |
| C05 | C06 | O30 | 121.2° | 120.6° |
| N07 | C08 | N09 | 115.8° | 120.0° |
| N07 | C08 | O12 | 122.4° | 120.0° |
| C08 | N07 | H10 | 120.2° | 120.0° |
| N01 | C06 | O30 | 122.1° | 120.6° |
| C06 | N01 | H5 | 118.8° | 119.8° |
| CL32 | C17 | C10 | 118.3° | 120.0° |
| CL32 | C17 | C16 | 120.6° | 119.9° |
| N09 | C08 | O12 | 121.8° | 120.0° |
| C08 | N09 | C10 | 123.3° | 120.0° |
| C08 | N09 | H11 | 118.3° | 120.0° |
| N09 | C10 | C17 | 119.6° | 119.9° |
| N09 | C10 | C13 | 120.6° | 119.9° |
| C10 | N09 | H11 | 118.3° | 120.0° |
| C10 | C17 | C16 | 121.1° | 120.1° |
| C17 | C10 | C13 | 119.8° | 120.1° |
| C17 | C16 | C15 | 119.3° | 119.9° |
| C17 | C16 | H7 | 120.4° | 120.1° |
| C10 | C13 | C14 | 119.7° | 120.1° |
| C10 | C13 | H1 | 120.1° | 119.9° |
| C16 | C15 | C14 | 120.1° | 119.9° |
| C16 | C15 | C18 | 119.2° | 120.1° |
| C15 | C16 | H7 | 120.4° | 120.0° |
| O29 | C27 | O28 | 120.1° | 120.0° |
| O29 | C27 | C26 | 119.6° | 120.0° |
| C13 | C14 | C15 | 120.0° | 119.9° |
| C14 | C13 | H1 | 120.2° | 119.9° |
| C13 | C14 | H6 | 120.0° | 120.0° |
| O28 | C27 | C26 | 120.3° | 120.0° |
| C27 | O28 | H18 | 109.5° | 117.1° |
| C27 | C26 | C23 | 109.3° | 109.5° |
| C27 | C26 | H3 | 109.5° | 109.5° |
| C27 | C26 | H4 | 109.5° | 109.5° |
| C14 | C15 | C18 | 120.6° | 120.1° |
| C15 | C14 | H6 | 120.0° | 120.0° |
| C15 | C18 | N20 | 116.9° | 120.0° |
| C15 | C18 | O19 | 120.2° | 120.0° |
| C18 | N20 | C21 | 122.9° | 120.0° |
| N20 | C18 | O19 | 122.8° | 120.0° |
| C18 | N20 | H14 | 118.5° | 120.0° |
| N20 | C21 | C23 | 110.9° | 109.4° |
| N20 | C21 | C22 | 104.9° | 109.5° |
| N20 | C21 | H2 | 112.4° | 109.4° |
| C21 | N20 | H14 | 118.6° | 120.1° |
| C26 | C23 | C21 | 115.1° | 109.5° |
| C23 | C26 | H3 | 109.5° | 109.4° |
| C23 | C26 | H4 | 109.5° | 109.5° |
| C26 | C23 | H8 | 108.0° | 109.4° |
| C26 | C23 | H9 | 108.0° | 109.5° |
| O24 | C22 | C21 | 119.4° | 120.0° |
| O24 | C22 | O25 | 119.9° | 120.0° |
| C23 | C21 | C22 | 105.4° | 109.5° |
| C23 | C21 | H2 | 111.4° | 109.5° |
| C21 | C23 | H8 | 108.1° | 109.5° |
| C21 | C23 | H9 | 108.1° | 109.5° |
| C21 | C22 | O25 | 120.7° | 120.0° |
| C22 | C21 | H2 | 111.4° | 109.5° |
| C22 | O25 | H17 | 109.5° | 117.0° |
| H3 | C26 | H4 | 109.5° | 109.5° |
| H8 | C23 | H9 | 109.5° | 109.5° |
| H12 | N11 | H13 | 109.5° | 120.0° |
| H15 | N31 | H16 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N11 | C04 | N03 | C05 | 179.9° | 180.0° |
| N11 | C04 | N03 | C02 | 180.0° | 180.0° |
| N11 | C04 | C05 | N07 | 0.6° | 0.0° |
| N11 | C04 | C05 | C06 | 179.5° | 180.0° |
| C04 | N11 | H12 | H13 | 120.0° | 179.9° |
| C04 | N03 | C02 | N31 | 179.2° | 179.8° |
| C04 | N03 | C02 | N01 | 0.7° | 0.0° |
| N03 | C04 | C05 | N07 | 179.5° | 180.0° |
| N03 | C04 | C05 | C06 | 0.6° | 0.0° |
| N03 | C04 | N11 | H12 | 0.0° | 180.0° |
| N03 | C04 | N11 | H13 | 120.0° | 0.0° |
| C02 | N03 | C04 | C05 | 0.1° | 0.0° |
| N03 | C02 | N31 | N01 | 179.9° | 179.8° |
| N03 | C02 | N01 | C06 | 0.9° | 0.0° |
| N03 | C02 | N31 | H15 | 0.0° | 179.7° |
| N03 | C02 | N31 | H16 | 180.0° | 0.3° |
| N03 | C02 | N01 | H5 | 179.1° | 180.0° |
| C04 | C05 | N07 | C06 | 178.9° | 180.0° |
| C04 | C05 | N07 | C08 | 92.0° | 122.0° |
| C04 | C05 | C06 | N01 | 0.3° | 0.0° |
| C04 | C05 | C06 | O30 | 179.3° | 180.0° |
| C04 | C05 | N07 | H10 | 88.0° | 58.1° |
| C05 | C04 | N11 | H12 | 179.9° | 0.0° |
| C05 | C04 | N11 | H13 | 60.1° | 180.0° |
| N31 | C02 | N01 | C06 | 178.9° | 179.7° |
| C02 | N31 | H15 | H16 | 180.0° | 180.0° |
| N31 | C02 | N01 | H5 | 1.1° | 0.3° |
| C02 | N01 | C06 | C05 | 0.4° | 0.0° |
| C02 | N01 | C06 | H5 | 180.0° | 180.0° |
| C02 | N01 | C06 | O30 | 180.0° | 180.0° |
| N01 | C02 | N31 | H15 | 179.9° | 0.0° |
| N01 | C02 | N31 | H16 | 0.1° | 180.0° |
| C05 | N07 | C08 | H10 | 180.0° | 179.9° |
| N07 | C05 | C06 | N01 | 179.3° | 180.0° |
| N07 | C05 | C06 | O30 | 0.3° | 0.0° |
| C05 | N07 | C08 | N09 | 179.4° | 175.1° |
| C05 | N07 | C08 | O12 | 1.1° | 4.9° |
| C06 | C05 | N07 | C08 | 89.1° | 58.0° |
| C05 | C06 | N01 | O30 | 179.6° | 180.0° |
| C06 | C05 | N07 | H10 | 90.9° | 121.9° |
| C05 | C06 | N01 | H5 | 179.6° | 179.9° |
| N07 | C08 | N09 | O12 | 179.5° | 179.9° |
| N07 | C08 | N09 | C10 | 177.9° | 175.3° |
| N07 | C08 | N09 | H11 | 2.1° | 4.8° |
| CL32 | C17 | C10 | N09 | 2.4° | 0.3° |
| CL32 | C17 | C10 | C16 | 179.0° | 180.0° |
| CL32 | C17 | C10 | C13 | 179.9° | 180.0° |
| CL32 | C17 | C16 | C15 | 178.8° | 180.0° |
| CL32 | C17 | C16 | H7 | 1.2° | 0.1° |
| O30 | C06 | N01 | H5 | 0.0° | 0.0° |
| C08 | N09 | C10 | H11 | 180.0° | 179.9° |
| C08 | N09 | C10 | C17 | 143.1° | 145.9° |
| C08 | N09 | C10 | C13 | 39.1° | 33.8° |
| N09 | C08 | N07 | H10 | 0.6° | 4.8° |
| O12 | C08 | N09 | C10 | 2.5° | 4.8° |
| O12 | C08 | N07 | H10 | 178.9° | 175.1° |
| O12 | C08 | N09 | H11 | 177.4° | 175.2° |
| N09 | C10 | C17 | C13 | 177.8° | 179.7° |
| N09 | C10 | C17 | C16 | 178.6° | 179.7° |
| N09 | C10 | C13 | C14 | 178.5° | 179.7° |
| N09 | C10 | C13 | H1 | 1.5° | 0.3° |
| C10 | C17 | C16 | C15 | 0.2° | 0.0° |
| C17 | C10 | C13 | C14 | 0.8° | 0.0° |
| C17 | C10 | C13 | H1 | 179.2° | 180.0° |
| C10 | C17 | C16 | H7 | 179.8° | 180.0° |
| C17 | C10 | N09 | H11 | 36.8° | 34.1° |
| C16 | C17 | C10 | C13 | 0.8° | 0.0° |
| C17 | C16 | C15 | H7 | 180.0° | 179.9° |
| C17 | C16 | C15 | C14 | 1.3° | 0.1° |
| C17 | C16 | C15 | C18 | 179.2° | 180.0° |
| C10 | C13 | C14 | H1 | 180.0° | 180.0° |
| C10 | C13 | C14 | C15 | 0.3° | 0.0° |
| C10 | C13 | C14 | H6 | 179.7° | 179.9° |
| C13 | C10 | N09 | H11 | 140.9° | 146.2° |
| C16 | C15 | C14 | C13 | 1.4° | 0.1° |
| C16 | C15 | C14 | C18 | 177.9° | 180.0° |
| C16 | C15 | C18 | N20 | 20.7° | 0.0° |
| C16 | C15 | C18 | O19 | 161.0° | 180.0° |
| C16 | C15 | C14 | H6 | 178.6° | 180.0° |
| O29 | C27 | O28 | C26 | 179.6° | 180.0° |
| O29 | C27 | C26 | C23 | 30.8° | 0.0° |
| O29 | C27 | C26 | H3 | 89.2° | 120.0° |
| O29 | C27 | C26 | H4 | 150.7° | 120.0° |
| O29 | C27 | O28 | H18 | 0.0° | 0.0° |
| C13 | C14 | C15 | H6 | 180.0° | 179.9° |
| C13 | C14 | C15 | C18 | 179.3° | 180.0° |
| O28 | C27 | C26 | C23 | 149.6° | 180.0° |
| O28 | C27 | C26 | H3 | 90.4° | 60.0° |
| O28 | C27 | C26 | H4 | 29.7° | 60.0° |
| C27 | C26 | C23 | H3 | 120.0° | 120.0° |
| C27 | C26 | C23 | H4 | 120.0° | 120.0° |
| C27 | C26 | C23 | C21 | 151.8° | 180.0° |
| C27 | C26 | H3 | H4 | 120.1° | 120.0° |
| C27 | C26 | C23 | H8 | 87.3° | 60.0° |
| C27 | C26 | C23 | H9 | 31.0° | 60.0° |
| C26 | C27 | O28 | H18 | 179.6° | 180.0° |
| C14 | C15 | C18 | N20 | 157.2° | 179.9° |
| C14 | C15 | C18 | O19 | 21.1° | 0.1° |
| C15 | C14 | C13 | H1 | 179.7° | 180.0° |
| C14 | C15 | C16 | H7 | 178.7° | 180.0° |
| C15 | C18 | N20 | O19 | 178.2° | 180.0° |
| C15 | C18 | N20 | C21 | 178.6° | 180.0° |
| C18 | C15 | C14 | H6 | 0.7° | 0.1° |
| C18 | C15 | C16 | H7 | 0.8° | 0.0° |
| C15 | C18 | N20 | H14 | 1.4° | 0.0° |
| C18 | N20 | C21 | H14 | 180.0° | 180.0° |
| C18 | N20 | C21 | C23 | 101.6° | 155.0° |
| C18 | N20 | C21 | C22 | 145.0° | 85.0° |
| C18 | N20 | C21 | H2 | 23.8° | 35.0° |
| N20 | C21 | C23 | C26 | 68.8° | 65.0° |
| C21 | N20 | C18 | O19 | 0.4° | 0.0° |
| N20 | C21 | C22 | O24 | 9.4° | 0.0° |
| N20 | C21 | C23 | C22 | 113.0° | 120.0° |
| N20 | C21 | C23 | H2 | 126.0° | 120.0° |
| N20 | C21 | C22 | H2 | 121.9° | 120.0° |
| N20 | C21 | C22 | O25 | 171.8° | 179.9° |
| N20 | C21 | C23 | H8 | 170.4° | 55.0° |
| N20 | C21 | C23 | H9 | 52.0° | 175.0° |
| C26 | C23 | C21 | H8 | 120.8° | 120.0° |
| C26 | C23 | C21 | H9 | 120.8° | 120.0° |
| C26 | C23 | C21 | C22 | 178.2° | 175.0° |
| C26 | C23 | C21 | H2 | 57.2° | 55.0° |
| C23 | C26 | H3 | H4 | 120.1° | 120.0° |
| C26 | C23 | H8 | H9 | 117.4° | 120.0° |
| O19 | C18 | N20 | H14 | 179.7° | 180.0° |
| O24 | C22 | C21 | C23 | 107.7° | 119.9° |
| O24 | C22 | C21 | O25 | 178.8° | 179.9° |
| O24 | C22 | C21 | H2 | 131.3° | 120.0° |
| O24 | C22 | O25 | H17 | 0.0° | 0.0° |
| C23 | C21 | C22 | H2 | 121.0° | 120.1° |
| C23 | C21 | C22 | O25 | 71.1° | 60.0° |
| C21 | C23 | C26 | H3 | 31.9° | 60.0° |
| C21 | C23 | C26 | H4 | 88.2° | 60.0° |
| C21 | C23 | H8 | H9 | 117.5° | 120.0° |
| C23 | C21 | N20 | H14 | 78.3° | 25.0° |
| C22 | C21 | C23 | H8 | 57.4° | 65.0° |
| C22 | C21 | C23 | H9 | 61.0° | 55.0° |
| C22 | C21 | N20 | H14 | 35.0° | 95.0° |
| C21 | C22 | O25 | H17 | 178.8° | 180.0° |
| O25 | C22 | C21 | H2 | 49.9° | 60.1° |
| H1 | C13 | C14 | H6 | 0.3° | 0.1° |
| H2 | C21 | C23 | H8 | 63.6° | 174.9° |
| H2 | C21 | C23 | H9 | 178.0° | 65.0° |
| H2 | C21 | N20 | H14 | 156.2° | 145.0° |
| H3 | C26 | C23 | H8 | 152.7° | 180.0° |
| H3 | C26 | C23 | H9 | 88.9° | 60.0° |
| H4 | C26 | C23 | H8 | 32.6° | 60.0° |
| H4 | C26 | C23 | H9 | 151.0° | 180.0° |
