A1AP0
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O24 | C25 | sing | 1.34Å | 1.37Å | Aromatic |
| O24 | C23 | sing | 1.34Å | 1.37Å | Aromatic |
| C25 | C26 | doub | 1.34Å | 1.37Å | Aromatic |
| C23 | C22 | doub | 1.36Å | 1.38Å | Aromatic |
| C26 | C22 | sing | 1.47Å | 1.44Å | Aromatic |
| C22 | C20 | sing | 1.47Å | 1.52Å | |
| C20 | O21 | doub | 1.22Å | 1.22Å | |
| C20 | N19 | sing | 1.35Å | 1.41Å | |
| N19 | C18 | sing | 1.40Å | 1.48Å | |
| C18 | C27 | doub | 1.39Å | 1.41Å | Aromatic |
| C18 | C17 | sing | 1.39Å | 1.41Å | Aromatic |
| C27 | C28 | sing | 1.38Å | 1.40Å | Aromatic |
| C17 | C07 | doub | 1.39Å | 1.42Å | Aromatic |
| C28 | C06 | doub | 1.39Å | 1.43Å | Aromatic |
| C07 | C06 | sing | 1.39Å | 1.41Å | Aromatic |
| C07 | S08 | sing | 1.76Å | 1.81Å | |
| C06 | N05 | sing | 1.39Å | 1.47Å | |
| S08 | C09 | sing | 1.76Å | 1.81Å | |
| N05 | C04 | sing | 1.46Å | 1.53Å | |
| N05 | C15 | sing | 1.31Å | 1.47Å | |
| C03 | C04 | sing | 1.53Å | 1.57Å | |
| C03 | O02 | sing | 1.43Å | 1.41Å | |
| C09 | C10 | doub | 1.39Å | 1.42Å | Aromatic |
| C09 | C14 | sing | 1.40Å | 1.39Å | Aromatic |
| C10 | C11 | sing | 1.38Å | 1.39Å | Aromatic |
| C15 | C14 | sing | 1.46Å | 1.54Å | |
| C15 | O16 | doub | 1.22Å | 1.23Å | |
| O02 | C01 | sing | 1.43Å | 1.40Å | |
| C14 | C13 | doub | 1.40Å | 1.42Å | Aromatic |
| C11 | C12 | doub | 1.39Å | 1.40Å | Aromatic |
| C13 | C12 | sing | 1.38Å | 1.39Å | Aromatic |
| C01 | H1 | sing | 1.09Å | 1.10Å | |
| C01 | H2 | sing | 1.09Å | 1.10Å | |
| C01 | H3 | sing | 1.09Å | 1.10Å | |
| C03 | H4 | sing | 1.09Å | 1.10Å | |
| C03 | H5 | sing | 1.09Å | 1.10Å | |
| C04 | H6 | sing | 1.09Å | 1.10Å | |
| C04 | H7 | sing | 1.09Å | 1.10Å | |
| C10 | H8 | sing | 1.08Å | 1.08Å | |
| C11 | H9 | sing | 1.08Å | 1.08Å | |
| C12 | H10 | sing | 1.08Å | 1.08Å | |
| C13 | H11 | sing | 1.08Å | 1.08Å | |
| C17 | H12 | sing | 1.08Å | 1.08Å | |
| C23 | H13 | sing | 1.08Å | 1.08Å | |
| C25 | H14 | sing | 1.08Å | 1.08Å | |
| C26 | H15 | sing | 1.08Å | 1.08Å | |
| C27 | H16 | sing | 1.08Å | 1.08Å | |
| C28 | H17 | sing | 1.08Å | 1.08Å | |
| N19 | H18 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C25 | O24 | C23 | 105.8° | 110.9° |
| O24 | C25 | C26 | 109.9° | 109.1° |
| O24 | C25 | H14 | 125.0° | 125.5° |
| O24 | C23 | C22 | 112.9° | 108.4° |
| O24 | C23 | H13 | 123.5° | 125.8° |
| C25 | C26 | C22 | 108.4° | 105.9° |
| C26 | C25 | H14 | 125.0° | 125.4° |
| C25 | C26 | H15 | 125.8° | 127.1° |
| C23 | C22 | C26 | 102.9° | 105.6° |
| C23 | C22 | C20 | 130.7° | 127.2° |
| C22 | C23 | H13 | 123.5° | 125.8° |
| C26 | C22 | C20 | 126.4° | 127.2° |
| C22 | C26 | H15 | 125.8° | 127.0° |
| C22 | C20 | O21 | 114.8° | 120.0° |
| C22 | C20 | N19 | 129.3° | 120.0° |
| O21 | C20 | N19 | 115.9° | 120.0° |
| C20 | N19 | C18 | 129.5° | 120.0° |
| C20 | N19 | H18 | 115.2° | 120.0° |
| N19 | C18 | C27 | 123.2° | 120.2° |
| N19 | C18 | C17 | 123.8° | 120.2° |
| C18 | N19 | H18 | 115.2° | 120.0° |
| C27 | C18 | C17 | 113.0° | 119.6° |
| C18 | C27 | C28 | 122.8° | 120.2° |
| C18 | C27 | H16 | 118.6° | 119.9° |
| C18 | C17 | C07 | 124.6° | 120.2° |
| C18 | C17 | H12 | 117.7° | 119.8° |
| C27 | C28 | C06 | 124.8° | 120.5° |
| C28 | C27 | H16 | 118.6° | 119.9° |
| C27 | C28 | H17 | 117.6° | 119.7° |
| C17 | C07 | C06 | 122.4° | 120.3° |
| C17 | C07 | S08 | 116.2° | 119.2° |
| C07 | C17 | H12 | 117.7° | 120.0° |
| C28 | C06 | C07 | 112.5° | 119.2° |
| C28 | C06 | N05 | 122.1° | 118.3° |
| C06 | C28 | H17 | 117.6° | 119.7° |
| C06 | C07 | S08 | 121.4° | 120.5° |
| C07 | C06 | N05 | 125.3° | 122.5° |
| C07 | S08 | C09 | 117.2° | 102.9° |
| C06 | N05 | C04 | 111.9° | 114.8° |
| C06 | N05 | C15 | 132.6° | 130.3° |
| S08 | C09 | C10 | 116.1° | 119.8° |
| S08 | C09 | C14 | 123.1° | 120.1° |
| C04 | N05 | C15 | 115.5° | 114.9° |
| N05 | C04 | C03 | 115.4° | 109.5° |
| N05 | C04 | H6 | 108.0° | 109.4° |
| N05 | C04 | H7 | 108.0° | 109.5° |
| N05 | C15 | C14 | 131.5° | 128.8° |
| N05 | C15 | O16 | 115.2° | 115.6° |
| C04 | C03 | O02 | 112.0° | 109.5° |
| C04 | C03 | H4 | 108.8° | 109.5° |
| C04 | C03 | H5 | 108.8° | 109.5° |
| C03 | C04 | H6 | 108.0° | 109.4° |
| C03 | C04 | H7 | 108.0° | 109.5° |
| C03 | O02 | C01 | 116.3° | 114.0° |
| O02 | C03 | H4 | 108.8° | 109.4° |
| O02 | C03 | H5 | 108.8° | 109.5° |
| C10 | C09 | C14 | 120.8° | 120.1° |
| C09 | C10 | C11 | 121.2° | 120.2° |
| C09 | C10 | H8 | 119.4° | 120.0° |
| C09 | C14 | C15 | 123.4° | 121.8° |
| C09 | C14 | C13 | 116.8° | 119.0° |
| C10 | C11 | C12 | 119.0° | 120.1° |
| C11 | C10 | H8 | 119.4° | 119.9° |
| C10 | C11 | H9 | 120.5° | 120.0° |
| C14 | C15 | O16 | 113.3° | 115.6° |
| C15 | C14 | C13 | 119.8° | 119.2° |
| O02 | C01 | H1 | 109.5° | 109.5° |
| O02 | C01 | H2 | 109.5° | 109.4° |
| O02 | C01 | H3 | 109.5° | 109.5° |
| C14 | C13 | C12 | 123.0° | 120.2° |
| C14 | C13 | H11 | 118.5° | 119.9° |
| C11 | C12 | C13 | 119.3° | 120.5° |
| C12 | C11 | H9 | 120.5° | 119.9° |
| C11 | C12 | H10 | 120.4° | 119.7° |
| C13 | C12 | H10 | 120.4° | 119.8° |
| C12 | C13 | H11 | 118.5° | 119.9° |
| H1 | C01 | H2 | 109.5° | 109.5° |
| H1 | C01 | H3 | 109.4° | 109.5° |
| H2 | C01 | H3 | 109.4° | 109.5° |
| H4 | C03 | H5 | 109.5° | 109.5° |
| H6 | C04 | H7 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O24 | C25 | C26 | H14 | 180.0° | 179.8° |
| C25 | O24 | C23 | C22 | 0.4° | 0.2° |
| O24 | C25 | C26 | C22 | 0.1° | 0.2° |
| C25 | O24 | C23 | H13 | 179.6° | 179.8° |
| O24 | C25 | C26 | H15 | 179.8° | 180.0° |
| C23 | O24 | C25 | C26 | 0.3° | 0.0° |
| O24 | C23 | C22 | H13 | 180.0° | 180.0° |
| O24 | C23 | C22 | C26 | 0.3° | 0.2° |
| O24 | C23 | C22 | C20 | 179.7° | 180.0° |
| C23 | O24 | C25 | H14 | 179.7° | 179.8° |
| C25 | C26 | C22 | C23 | 0.1° | 0.2° |
| C25 | C26 | C22 | H15 | 180.0° | 179.8° |
| C25 | C26 | C22 | C20 | 179.6° | 180.0° |
| C23 | C22 | C26 | C20 | 179.5° | 179.8° |
| C23 | C22 | C20 | O21 | 131.8° | 180.0° |
| C23 | C22 | C20 | N19 | 48.5° | 0.0° |
| C23 | C22 | C26 | H15 | 179.9° | 179.9° |
| C26 | C22 | C20 | O21 | 47.5° | 0.3° |
| C26 | C22 | C20 | N19 | 132.2° | 179.7° |
| C26 | C22 | C23 | H13 | 179.7° | 179.8° |
| C22 | C26 | C25 | H14 | 179.8° | 179.9° |
| C22 | C20 | O21 | N19 | 179.8° | 180.0° |
| C22 | C20 | N19 | C18 | 179.8° | 174.8° |
| C20 | C22 | C23 | H13 | 0.3° | 0.0° |
| C20 | C22 | C26 | H15 | 0.4° | 0.2° |
| C22 | C20 | N19 | H18 | 0.2° | 5.3° |
| O21 | C20 | N19 | C18 | 0.1° | 5.2° |
| O21 | C20 | N19 | H18 | 179.9° | 174.8° |
| C20 | N19 | C18 | H18 | 180.0° | 180.0° |
| C20 | N19 | C18 | C27 | 116.1° | 147.3° |
| C20 | N19 | C18 | C17 | 63.0° | 32.9° |
| N19 | C18 | C27 | C17 | 179.2° | 179.8° |
| N19 | C18 | C27 | C28 | 179.8° | 180.0° |
| N19 | C18 | C17 | C07 | 180.0° | 179.7° |
| N19 | C18 | C17 | H12 | 0.0° | 0.2° |
| N19 | C18 | C27 | H16 | 0.2° | 0.3° |
| C18 | C27 | C28 | H16 | 180.0° | 179.7° |
| C27 | C18 | C17 | C07 | 0.8° | 0.0° |
| C18 | C27 | C28 | C06 | 0.5° | 0.5° |
| C27 | C18 | C17 | H12 | 179.2° | 180.0° |
| C18 | C27 | C28 | H17 | 179.5° | 180.0° |
| C27 | C18 | N19 | H18 | 63.9° | 32.7° |
| C17 | C18 | C27 | C28 | 0.5° | 0.2° |
| C18 | C17 | C07 | H12 | 180.0° | 179.9° |
| C18 | C17 | C07 | C06 | 1.1° | 0.0° |
| C18 | C17 | C07 | S08 | 179.9° | 179.9° |
| C17 | C18 | C27 | H16 | 179.5° | 179.9° |
| C17 | C18 | N19 | H18 | 116.9° | 147.1° |
| C27 | C28 | C06 | H17 | 180.0° | 179.5° |
| C27 | C28 | C06 | C07 | 0.7° | 0.5° |
| C27 | C28 | C06 | N05 | 179.8° | 179.7° |
| C17 | C07 | C06 | C28 | 0.9° | 0.2° |
| C17 | C07 | C06 | S08 | 178.7° | 179.9° |
| C17 | C07 | C06 | N05 | 180.0° | 180.0° |
| C17 | C07 | S08 | C09 | 133.7° | 119.1° |
| C28 | C06 | C07 | N05 | 179.1° | 179.8° |
| C28 | C06 | C07 | S08 | 179.6° | 179.7° |
| C28 | C06 | N05 | C04 | 31.0° | 44.8° |
| C28 | C06 | N05 | C15 | 149.5° | 135.2° |
| C06 | C28 | C27 | H16 | 179.5° | 179.8° |
| C06 | C07 | S08 | C09 | 45.1° | 61.0° |
| C07 | C06 | N05 | C04 | 148.1° | 135.0° |
| C07 | C06 | N05 | C15 | 31.5° | 45.0° |
| C06 | C07 | C17 | H12 | 178.9° | 180.0° |
| C07 | C06 | C28 | H17 | 179.3° | 180.0° |
| S08 | C07 | C06 | N05 | 1.3° | 0.1° |
| C07 | S08 | C09 | C10 | 133.8° | 119.8° |
| C07 | S08 | C09 | C14 | 45.0° | 60.4° |
| S08 | C07 | C17 | H12 | 0.1° | 0.1° |
| C06 | N05 | C04 | C15 | 179.6° | 180.0° |
| C06 | N05 | C04 | C03 | 76.9° | 95.2° |
| C06 | N05 | C15 | C14 | 0.2° | 1.3° |
| C06 | N05 | C15 | O16 | 179.7° | 178.8° |
| C06 | N05 | C04 | H6 | 162.3° | 144.9° |
| C06 | N05 | C04 | H7 | 44.0° | 24.9° |
| N05 | C06 | C28 | H17 | 0.2° | 0.2° |
| S08 | C09 | C10 | C14 | 178.8° | 179.8° |
| S08 | C09 | C10 | C11 | 179.7° | 179.4° |
| S08 | C09 | C14 | C15 | 1.2° | 1.0° |
| S08 | C09 | C14 | C13 | 179.8° | 179.3° |
| S08 | C09 | C10 | H8 | 0.3° | 0.6° |
| N05 | C04 | C03 | H6 | 120.8° | 119.9° |
| N05 | C04 | C03 | H7 | 120.8° | 120.0° |
| N05 | C04 | C03 | O02 | 84.6° | 65.0° |
| C04 | N05 | C15 | C14 | 179.7° | 178.7° |
| C04 | N05 | C15 | O16 | 0.2° | 1.2° |
| N05 | C04 | C03 | H4 | 155.0° | 175.0° |
| N05 | C04 | C03 | H5 | 35.8° | 55.0° |
| N05 | C04 | H6 | H7 | 117.3° | 120.0° |
| C15 | N05 | C04 | C03 | 102.7° | 84.8° |
| N05 | C15 | C14 | C09 | 31.7° | 43.0° |
| N05 | C15 | C14 | O16 | 179.9° | 179.9° |
| N05 | C15 | C14 | C13 | 149.4° | 136.8° |
| C15 | N05 | C04 | H6 | 18.1° | 35.1° |
| C15 | N05 | C04 | H7 | 136.4° | 155.2° |
| C04 | C03 | O02 | H4 | 120.4° | 120.0° |
| C04 | C03 | O02 | H5 | 120.3° | 120.0° |
| C04 | C03 | O02 | C01 | 147.3° | 180.0° |
| C04 | C03 | H4 | H5 | 118.8° | 120.0° |
| C03 | C04 | H6 | H7 | 117.3° | 120.0° |
| C03 | O02 | C01 | H1 | 180.0° | 60.0° |
| C03 | O02 | C01 | H2 | 60.0° | 59.9° |
| C03 | O02 | C01 | H3 | 60.0° | 180.0° |
| O02 | C03 | H4 | H5 | 118.8° | 120.0° |
| O02 | C03 | C04 | H6 | 36.3° | 175.0° |
| O02 | C03 | C04 | H7 | 154.6° | 55.0° |
| C09 | C10 | C11 | H8 | 180.0° | 180.0° |
| C10 | C09 | C14 | C15 | 180.0° | 179.3° |
| C10 | C09 | C14 | C13 | 1.1° | 0.5° |
| C09 | C10 | C11 | C12 | 0.3° | 0.1° |
| C09 | C10 | C11 | H9 | 179.7° | 180.0° |
| C14 | C09 | C10 | C11 | 0.9° | 0.4° |
| C09 | C14 | C15 | C13 | 178.9° | 179.8° |
| C09 | C14 | C15 | O16 | 148.3° | 136.9° |
| C09 | C14 | C13 | C12 | 0.8° | 0.4° |
| C14 | C09 | C10 | H8 | 179.1° | 179.6° |
| C09 | C14 | C13 | H11 | 179.2° | 179.7° |
| C10 | C11 | C12 | H9 | 180.0° | 179.9° |
| C10 | C11 | C12 | C13 | 0.0° | 0.1° |
| C10 | C11 | C12 | H10 | 180.0° | 179.9° |
| C15 | C14 | C13 | C12 | 179.8° | 179.4° |
| C15 | C14 | C13 | H11 | 0.3° | 0.5° |
| O16 | C15 | C14 | C13 | 30.6° | 43.3° |
| O02 | C01 | H1 | H2 | 120.0° | 119.9° |
| O02 | C01 | H1 | H3 | 120.0° | 120.0° |
| O02 | C01 | H2 | H3 | 120.0° | 120.0° |
| C01 | O02 | C03 | H4 | 27.0° | 60.0° |
| C01 | O02 | C03 | H5 | 92.3° | 60.0° |
| C14 | C13 | C12 | C11 | 0.3° | 0.1° |
| C14 | C13 | C12 | H11 | 180.0° | 179.9° |
| C14 | C13 | C12 | H10 | 179.7° | 180.0° |
| C11 | C12 | C13 | H10 | 180.0° | 179.9° |
| C12 | C11 | C10 | H8 | 179.7° | 179.9° |
| C11 | C12 | C13 | H11 | 179.7° | 180.0° |
| C13 | C12 | C11 | H9 | 180.0° | 179.8° |
| H1 | C01 | H2 | H3 | 120.0° | 120.0° |
| H4 | C03 | C04 | H6 | 84.1° | 55.1° |
| H4 | C03 | C04 | H7 | 34.2° | 65.0° |
| H5 | C03 | C04 | H6 | 156.6° | 64.9° |
| H5 | C03 | C04 | H7 | 85.1° | 175.0° |
| H8 | C10 | C11 | H9 | 0.3° | 0.0° |
| H9 | C11 | C12 | H10 | 0.0° | 0.2° |
| H10 | C12 | C13 | H11 | 0.2° | 0.1° |
| H14 | C25 | C26 | H15 | 0.2° | 0.2° |
| H16 | C27 | C28 | H17 | 0.5° | 0.3° |






