A1L22
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N11 | C04 | sing | 1.38Å | 1.45Å | |
| N03 | C04 | sing | 1.34Å | 1.33Å | |
| N03 | C02 | doub | 1.32Å | 1.34Å | |
| C04 | C05 | doub | 1.39Å | 1.41Å | |
| N33 | C02 | sing | 1.37Å | 1.45Å | |
| C02 | N01 | sing | 1.36Å | 1.32Å | |
| C05 | N07 | sing | 1.41Å | 1.46Å | |
| C05 | C06 | sing | 1.40Å | 1.38Å | |
| N07 | C08 | sing | 1.35Å | 1.46Å | |
| N01 | C06 | sing | 1.35Å | 1.33Å | |
| C06 | O32 | doub | 1.22Å | 1.20Å | |
| C08 | N09 | sing | 1.35Å | 1.44Å | |
| C08 | O12 | doub | 1.22Å | 1.19Å | |
| N09 | C10 | sing | 1.39Å | 1.44Å | |
| C17 | C10 | doub | 1.39Å | 1.39Å | Aromatic |
| C17 | C16 | sing | 1.38Å | 1.39Å | Aromatic |
| C10 | C13 | sing | 1.39Å | 1.40Å | Aromatic |
| N30 | N29 | doub | 1.29Å | 1.32Å | Aromatic |
| N30 | N31 | sing | 1.29Å | 1.36Å | Aromatic |
| N29 | N28 | sing | 1.29Å | 1.35Å | Aromatic |
| C16 | C15 | doub | 1.40Å | 1.39Å | Aromatic |
| N31 | C27 | doub | 1.31Å | 1.36Å | Aromatic |
| C13 | C14 | doub | 1.38Å | 1.39Å | Aromatic |
| N28 | C27 | sing | 1.35Å | 1.37Å | Aromatic |
| C15 | C14 | sing | 1.40Å | 1.39Å | Aromatic |
| C15 | C18 | sing | 1.48Å | 1.52Å | |
| C27 | C26 | sing | 1.51Å | 1.53Å | |
| O25 | C22 | doub | 1.21Å | 1.27Å | |
| N20 | C18 | sing | 1.35Å | 1.46Å | |
| N20 | C21 | sing | 1.46Å | 1.45Å | |
| C18 | O19 | doub | 1.22Å | 1.19Å | |
| C23 | C26 | sing | 1.53Å | 1.52Å | |
| C23 | C21 | sing | 1.53Å | 1.51Å | |
| C21 | C22 | sing | 1.51Å | 1.52Å | |
| C22 | O24 | sing | 1.34Å | 1.27Å | |
| C13 | H1 | sing | 1.08Å | 1.08Å | |
| C17 | H2 | sing | 1.08Å | 1.08Å | |
| C21 | H3 | sing | 1.09Å | 1.10Å | |
| C26 | H4 | sing | 1.09Å | 1.10Å | |
| C26 | H5 | sing | 1.09Å | 1.10Å | |
| C14 | H7 | sing | 1.08Å | 1.08Å | |
| C16 | H8 | sing | 1.08Å | 1.08Å | |
| C23 | H9 | sing | 1.09Å | 1.10Å | |
| C23 | H10 | sing | 1.09Å | 1.10Å | |
| N07 | H11 | sing | 0.97Å | 1.00Å | |
| N09 | H12 | sing | 0.97Å | 1.00Å | |
| N11 | H13 | sing | 0.97Å | 1.00Å | |
| N11 | H14 | sing | 0.97Å | 1.00Å | |
| N20 | H15 | sing | 0.97Å | 1.00Å | |
| N28 | H16 | sing | 0.97Å | 1.00Å | |
| N33 | H17 | sing | 0.97Å | 1.00Å | |
| N33 | H18 | sing | 0.97Å | 1.00Å | |
| O24 | H19 | sing | 0.97Å | 0.95Å | |
| N01 | H6 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N11 | C04 | N03 | 120.9° | 120.2° |
| N11 | C04 | C05 | 119.1° | 120.2° |
| C04 | N11 | H13 | 109.5° | 120.0° |
| C04 | N11 | H14 | 109.5° | 120.0° |
| C04 | N03 | C02 | 118.7° | 121.2° |
| N03 | C04 | C05 | 120.0° | 119.7° |
| N03 | C02 | N33 | 120.9° | 119.3° |
| N03 | C02 | N01 | 122.5° | 121.4° |
| C04 | C05 | N07 | 122.8° | 120.7° |
| C04 | C05 | C06 | 119.1° | 118.7° |
| N33 | C02 | N01 | 116.5° | 119.3° |
| C02 | N33 | H17 | 120.0° | 120.0° |
| C02 | N33 | H18 | 120.0° | 120.0° |
| C02 | N01 | C06 | 122.1° | 120.2° |
| C02 | N01 | H6 | 119.0° | 119.9° |
| N07 | C05 | C06 | 118.1° | 120.7° |
| C05 | N07 | C08 | 116.9° | 120.0° |
| C05 | N07 | H11 | 121.5° | 120.0° |
| C05 | C06 | N01 | 117.6° | 118.9° |
| C05 | C06 | O32 | 118.7° | 120.6° |
| N07 | C08 | N09 | 117.4° | 120.0° |
| N07 | C08 | O12 | 121.2° | 120.0° |
| C08 | N07 | H11 | 121.5° | 120.0° |
| N01 | C06 | O32 | 123.6° | 120.6° |
| C06 | N01 | H6 | 119.0° | 119.9° |
| N09 | C08 | O12 | 121.4° | 120.0° |
| C08 | N09 | C10 | 126.3° | 120.0° |
| C08 | N09 | H12 | 116.8° | 120.1° |
| N09 | C10 | C17 | 118.2° | 119.9° |
| N09 | C10 | C13 | 121.5° | 120.0° |
| C10 | N09 | H12 | 116.9° | 119.9° |
| C10 | C17 | C16 | 120.0° | 120.1° |
| C17 | C10 | C13 | 120.3° | 120.1° |
| C10 | C17 | H2 | 120.0° | 120.0° |
| C17 | C16 | C15 | 119.7° | 119.9° |
| C16 | C17 | H2 | 120.0° | 119.9° |
| C17 | C16 | H8 | 120.2° | 120.0° |
| C10 | C13 | C14 | 119.8° | 120.1° |
| C10 | C13 | H1 | 120.1° | 120.0° |
| N29 | N30 | N31 | 110.5° | 109.4° |
| N30 | N29 | N28 | 107.6° | 108.8° |
| N30 | N31 | C27 | 106.3° | 107.9° |
| N29 | N28 | C27 | 108.2° | 107.1° |
| N29 | N28 | H16 | 125.9° | 126.4° |
| C16 | C15 | C14 | 120.8° | 119.9° |
| C16 | C15 | C18 | 118.0° | 120.1° |
| C15 | C16 | H8 | 120.2° | 120.1° |
| N31 | C27 | N28 | 107.5° | 106.7° |
| N31 | C27 | C26 | 124.7° | 126.7° |
| C13 | C14 | C15 | 119.5° | 119.9° |
| C14 | C13 | H1 | 120.1° | 119.9° |
| C13 | C14 | H7 | 120.3° | 120.1° |
| N28 | C27 | C26 | 127.8° | 126.6° |
| C27 | N28 | H16 | 125.9° | 126.5° |
| C14 | C15 | C18 | 121.2° | 120.1° |
| C15 | C14 | H7 | 120.2° | 120.0° |
| C15 | C18 | N20 | 116.7° | 120.0° |
| C15 | C18 | O19 | 120.7° | 120.0° |
| C27 | C26 | C23 | 106.0° | 109.5° |
| C27 | C26 | H4 | 110.3° | 109.5° |
| C27 | C26 | H5 | 110.3° | 109.5° |
| O25 | C22 | C21 | 119.8° | 120.0° |
| O25 | C22 | O24 | 120.9° | 120.0° |
| C18 | N20 | C21 | 125.9° | 120.0° |
| N20 | C18 | O19 | 122.6° | 120.0° |
| C18 | N20 | H15 | 117.0° | 120.0° |
| N20 | C21 | C23 | 110.2° | 109.5° |
| N20 | C21 | C22 | 108.1° | 109.5° |
| N20 | C21 | H3 | 112.1° | 109.5° |
| C21 | N20 | H15 | 117.0° | 120.0° |
| C26 | C23 | C21 | 115.0° | 109.5° |
| C23 | C26 | H4 | 110.4° | 109.5° |
| C23 | C26 | H5 | 110.3° | 109.4° |
| C26 | C23 | H9 | 108.1° | 109.5° |
| C26 | C23 | H10 | 108.1° | 109.4° |
| C23 | C21 | C22 | 104.0° | 109.5° |
| C23 | C21 | H3 | 111.1° | 109.5° |
| C21 | C23 | H9 | 108.1° | 109.5° |
| C21 | C23 | H10 | 108.1° | 109.5° |
| C21 | C22 | O24 | 119.3° | 120.0° |
| C22 | C21 | H3 | 111.0° | 109.4° |
| C22 | O24 | H19 | 109.5° | 117.0° |
| H4 | C26 | H5 | 109.5° | 109.5° |
| H9 | C23 | H10 | 109.5° | 109.4° |
| H13 | N11 | H14 | 109.4° | 120.0° |
| H17 | N33 | H18 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N11 | C04 | N03 | C05 | 178.9° | 180.0° |
| N11 | C04 | N03 | C02 | 180.0° | 180.0° |
| N11 | C04 | C05 | N07 | 0.2° | 0.0° |
| N11 | C04 | C05 | C06 | 179.0° | 180.0° |
| C04 | N11 | H13 | H14 | 120.0° | 180.0° |
| C04 | N03 | C02 | N33 | 179.1° | 179.8° |
| C04 | N03 | C02 | N01 | 0.8° | 0.0° |
| N03 | C04 | C05 | N07 | 178.7° | 180.0° |
| N03 | C04 | C05 | C06 | 0.1° | 0.0° |
| N03 | C04 | N11 | H13 | 0.0° | 180.0° |
| N03 | C04 | N11 | H14 | 120.0° | 0.0° |
| C02 | N03 | C04 | C05 | 1.0° | 0.0° |
| N03 | C02 | N33 | N01 | 179.9° | 179.8° |
| N03 | C02 | N01 | C06 | 0.5° | 0.0° |
| N03 | C02 | N33 | H17 | 0.0° | 179.7° |
| N03 | C02 | N33 | H18 | 180.0° | 0.2° |
| N03 | C02 | N01 | H6 | 179.6° | 180.0° |
| C04 | C05 | N07 | C06 | 178.8° | 180.0° |
| C04 | C05 | N07 | C08 | 89.9° | 122.2° |
| C04 | C05 | C06 | N01 | 1.1° | 0.0° |
| C04 | C05 | C06 | O32 | 179.8° | 180.0° |
| C04 | C05 | N07 | H11 | 90.1° | 57.8° |
| C05 | C04 | N11 | H13 | 178.9° | 0.0° |
| C05 | C04 | N11 | H14 | 61.1° | 180.0° |
| N33 | C02 | N01 | C06 | 179.6° | 179.8° |
| C02 | N33 | H17 | H18 | 180.0° | 179.9° |
| N33 | C02 | N01 | H6 | 0.4° | 0.3° |
| C02 | N01 | C06 | C05 | 1.4° | 0.0° |
| C02 | N01 | C06 | H6 | 180.0° | 180.0° |
| C02 | N01 | C06 | O32 | 179.5° | 180.0° |
| N01 | C02 | N33 | H17 | 180.0° | 0.1° |
| N01 | C02 | N33 | H18 | 0.1° | 180.0° |
| C05 | N07 | C08 | H11 | 180.0° | 179.9° |
| N07 | C05 | C06 | N01 | 179.9° | 180.0° |
| N07 | C05 | C06 | O32 | 0.9° | 0.0° |
| C05 | N07 | C08 | N09 | 179.0° | 175.1° |
| C05 | N07 | C08 | O12 | 0.6° | 4.9° |
| C06 | C05 | N07 | C08 | 89.0° | 57.8° |
| C05 | C06 | N01 | O32 | 179.1° | 180.0° |
| C06 | C05 | N07 | H11 | 91.1° | 122.2° |
| C05 | C06 | N01 | H6 | 178.6° | 180.0° |
| N07 | C08 | N09 | O12 | 178.4° | 180.0° |
| N07 | C08 | N09 | C10 | 179.0° | 175.2° |
| N07 | C08 | N09 | H12 | 1.0° | 4.7° |
| O32 | C06 | N01 | H6 | 0.5° | 0.0° |
| C08 | N09 | C10 | H12 | 180.0° | 180.0° |
| C08 | N09 | C10 | C17 | 153.6° | 35.8° |
| C08 | N09 | C10 | C13 | 29.0° | 144.4° |
| N09 | C08 | N07 | H11 | 1.0° | 4.8° |
| O12 | C08 | N09 | C10 | 2.6° | 4.8° |
| O12 | C08 | N07 | H11 | 179.3° | 175.2° |
| O12 | C08 | N09 | H12 | 177.4° | 175.2° |
| N09 | C10 | C17 | C13 | 177.5° | 179.8° |
| N09 | C10 | C17 | C16 | 178.6° | 179.8° |
| N09 | C10 | C13 | C14 | 178.3° | 179.8° |
| N09 | C10 | C13 | H1 | 1.7° | 0.2° |
| N09 | C10 | C17 | H2 | 1.4° | 0.2° |
| C10 | C17 | C16 | H2 | 180.0° | 180.0° |
| C10 | C17 | C16 | C15 | 1.3° | 0.0° |
| C17 | C10 | C13 | C14 | 0.9° | 0.0° |
| C17 | C10 | C13 | H1 | 179.2° | 180.0° |
| C10 | C17 | C16 | H8 | 178.7° | 180.0° |
| C17 | C10 | N09 | H12 | 26.4° | 144.2° |
| C16 | C17 | C10 | C13 | 1.1° | 0.0° |
| C17 | C16 | C15 | H8 | 180.0° | 180.0° |
| C17 | C16 | C15 | C14 | 1.4° | 0.0° |
| C17 | C16 | C15 | C18 | 179.6° | 180.0° |
| C10 | C13 | C14 | H1 | 180.0° | 180.0° |
| C10 | C13 | C14 | C15 | 0.9° | 0.0° |
| C13 | C10 | C17 | H2 | 178.9° | 180.0° |
| C10 | C13 | C14 | H7 | 179.1° | 179.9° |
| C13 | C10 | N09 | H12 | 151.0° | 35.6° |
| N29 | N30 | N31 | C27 | 0.2° | 0.4° |
| N30 | N29 | N28 | C27 | 0.1° | 0.0° |
| N30 | N29 | N28 | H16 | 179.9° | 180.0° |
| N31 | N30 | N29 | N28 | 0.1° | 0.3° |
| N30 | N31 | C27 | N28 | 0.1° | 0.4° |
| N30 | N31 | C27 | C26 | 179.9° | 179.9° |
| N29 | N28 | C27 | N31 | 0.0° | 0.2° |
| N29 | N28 | C27 | H16 | 180.0° | 179.9° |
| N29 | N28 | C27 | C26 | 179.9° | 179.9° |
| C16 | C15 | C14 | C13 | 1.2° | 0.0° |
| C16 | C15 | C14 | C18 | 179.0° | 180.0° |
| C16 | C15 | C18 | N20 | 18.3° | 0.0° |
| C16 | C15 | C18 | O19 | 161.4° | 180.0° |
| C15 | C16 | C17 | H2 | 178.7° | 180.0° |
| C16 | C15 | C14 | H7 | 178.8° | 179.9° |
| N31 | C27 | N28 | C26 | 179.8° | 179.7° |
| N31 | C27 | C26 | C23 | 5.3° | 55.3° |
| N31 | C27 | C26 | H4 | 114.1° | 175.3° |
| N31 | C27 | C26 | H5 | 124.8° | 64.7° |
| N31 | C27 | N28 | H16 | 180.0° | 179.7° |
| C13 | C14 | C15 | H7 | 180.0° | 179.9° |
| C13 | C14 | C15 | C18 | 179.8° | 180.0° |
| N28 | C27 | C26 | C23 | 174.5° | 125.0° |
| N28 | C27 | C26 | H4 | 66.1° | 5.0° |
| N28 | C27 | C26 | H5 | 55.0° | 115.0° |
| C14 | C15 | C18 | N20 | 162.7° | 180.0° |
| C14 | C15 | C18 | O19 | 17.6° | 0.0° |
| C15 | C14 | C13 | H1 | 179.1° | 180.0° |
| C14 | C15 | C16 | H8 | 178.6° | 180.0° |
| C15 | C18 | N20 | O19 | 179.7° | 180.0° |
| C15 | C18 | N20 | C21 | 179.0° | 180.0° |
| C18 | C15 | C14 | H7 | 0.2° | 0.1° |
| C18 | C15 | C16 | H8 | 0.4° | 0.0° |
| C15 | C18 | N20 | H15 | 1.0° | 0.0° |
| C27 | C26 | C23 | H4 | 119.4° | 120.0° |
| C27 | C26 | C23 | H5 | 119.4° | 120.0° |
| C27 | C26 | C23 | C21 | 157.4° | 180.0° |
| C27 | C26 | H4 | H5 | 121.6° | 120.0° |
| C27 | C26 | C23 | H9 | 81.8° | 59.9° |
| C27 | C26 | C23 | H10 | 36.6° | 60.0° |
| C26 | C27 | N28 | H16 | 0.1° | 0.0° |
| O25 | C22 | C21 | N20 | 17.8° | 0.0° |
| O25 | C22 | C21 | C23 | 99.3° | 120.0° |
| O25 | C22 | C21 | O24 | 179.3° | 180.0° |
| O25 | C22 | C21 | H3 | 141.1° | 120.0° |
| O25 | C22 | O24 | H19 | 0.0° | 0.0° |
| C18 | N20 | C21 | H15 | 180.0° | 180.0° |
| C18 | N20 | C21 | C23 | 89.3° | 155.0° |
| C18 | N20 | C21 | C22 | 157.7° | 85.0° |
| C18 | N20 | C21 | H3 | 35.0° | 35.0° |
| C21 | N20 | C18 | O19 | 0.7° | 0.0° |
| N20 | C21 | C23 | C26 | 75.8° | 65.0° |
| N20 | C21 | C23 | C22 | 115.6° | 120.0° |
| N20 | C21 | C23 | H3 | 124.9° | 120.0° |
| N20 | C21 | C22 | H3 | 123.3° | 120.0° |
| N20 | C21 | C22 | O24 | 162.9° | 180.0° |
| N20 | C21 | C23 | H9 | 163.4° | 55.0° |
| N20 | C21 | C23 | H10 | 45.0° | 175.0° |
| O19 | C18 | N20 | H15 | 179.3° | 180.0° |
| C26 | C23 | C21 | H9 | 120.8° | 120.1° |
| C26 | C23 | C21 | H10 | 120.8° | 120.0° |
| C26 | C23 | C21 | C22 | 168.6° | 175.0° |
| C26 | C23 | C21 | H3 | 49.1° | 55.0° |
| C23 | C26 | H4 | H5 | 121.6° | 120.0° |
| C26 | C23 | H9 | H10 | 117.5° | 119.9° |
| C23 | C21 | C22 | H3 | 119.6° | 120.0° |
| C23 | C21 | C22 | O24 | 80.0° | 60.0° |
| C21 | C23 | C26 | H4 | 37.9° | 60.0° |
| C21 | C23 | C26 | H5 | 83.2° | 60.0° |
| C21 | C23 | H9 | H10 | 117.5° | 120.0° |
| C23 | C21 | N20 | H15 | 90.6° | 25.0° |
| C22 | C21 | C23 | H9 | 47.8° | 65.0° |
| C22 | C21 | C23 | H10 | 70.6° | 55.0° |
| C22 | C21 | N20 | H15 | 22.4° | 95.0° |
| C21 | C22 | O24 | H19 | 179.3° | 180.0° |
| O24 | C22 | C21 | H3 | 39.6° | 60.0° |
| H1 | C13 | C14 | H7 | 0.9° | 0.1° |
| H2 | C17 | C16 | H8 | 1.3° | 0.0° |
| H3 | C21 | C23 | H9 | 71.7° | 175.0° |
| H3 | C21 | C23 | H10 | 169.9° | 65.0° |
| H3 | C21 | N20 | H15 | 145.0° | 145.0° |
| H4 | C26 | C23 | H9 | 158.8° | 180.0° |
| H4 | C26 | C23 | H10 | 82.8° | 60.0° |
| H5 | C26 | C23 | H9 | 37.7° | 60.1° |
| H5 | C26 | C23 | H10 | 156.1° | 180.0° |
