A1A18
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C12 | O13 | sing | 1.43Å | 1.45Å | |
| C12 | C11 | sing | 1.53Å | 1.53Å | |
| C19 | N18 | sing | 1.46Å | 1.50Å | |
| O13 | C14 | sing | 1.43Å | 1.43Å | |
| C11 | N10 | sing | 1.47Å | 1.41Å | |
| O22 | C21 | doub | 1.22Å | 1.19Å | |
| N18 | C21 | sing | 1.35Å | 1.42Å | |
| N18 | C17 | sing | 1.38Å | 1.47Å | |
| C16 | C17 | doub | 1.39Å | 1.41Å | Aromatic |
| C16 | C09 | sing | 1.39Å | 1.40Å | Aromatic |
| C14 | C15 | sing | 1.53Å | 1.53Å | |
| N10 | C15 | sing | 1.47Å | 1.45Å | |
| N10 | C09 | sing | 1.39Å | 1.48Å | |
| C21 | C20 | sing | 1.41Å | 1.48Å | |
| C17 | C05 | sing | 1.41Å | 1.43Å | Aromatic |
| C09 | C07 | doub | 1.40Å | 1.41Å | Aromatic |
| C20 | C04 | doub | 1.36Å | 1.45Å | |
| C05 | C04 | sing | 1.42Å | 1.51Å | |
| C05 | C06 | doub | 1.40Å | 1.42Å | Aromatic |
| C07 | C06 | sing | 1.37Å | 1.42Å | Aromatic |
| C07 | F08 | sing | 1.35Å | 1.35Å | |
| C04 | C03 | sing | 1.51Å | 1.53Å | |
| C03 | P02 | sing | 1.82Å | 1.85Å | |
| O23 | P02 | doub | 1.48Å | 1.54Å | |
| O01 | P02 | sing | 1.61Å | 1.48Å | |
| P02 | O24 | sing | 1.61Å | 1.51Å | |
| C15 | H1 | sing | 1.09Å | 1.10Å | |
| C15 | H2 | sing | 1.09Å | 1.10Å | |
| C20 | H3 | sing | 1.08Å | 1.08Å | |
| O01 | H4 | sing | 0.97Å | 0.95Å | |
| C03 | H5 | sing | 1.09Å | 1.10Å | |
| C03 | H6 | sing | 1.09Å | 1.10Å | |
| C06 | H7 | sing | 1.08Å | 1.08Å | |
| C11 | H8 | sing | 1.09Å | 1.10Å | |
| C11 | H9 | sing | 1.09Å | 1.10Å | |
| C12 | H10 | sing | 1.09Å | 1.10Å | |
| C12 | H11 | sing | 1.09Å | 1.10Å | |
| C14 | H12 | sing | 1.09Å | 1.10Å | |
| C14 | H13 | sing | 1.09Å | 1.10Å | |
| C16 | H14 | sing | 1.08Å | 1.08Å | |
| C19 | H15 | sing | 1.09Å | 1.10Å | |
| C19 | H16 | sing | 1.09Å | 1.10Å | |
| C19 | H17 | sing | 1.09Å | 1.10Å | |
| O24 | H18 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O13 | C12 | C11 | 108.0° | 109.3° |
| C12 | O13 | C14 | 112.3° | 113.8° |
| O13 | C12 | H10 | 109.8° | 109.5° |
| O13 | C12 | H11 | 109.8° | 109.5° |
| C12 | C11 | N10 | 107.9° | 109.3° |
| C12 | C11 | H8 | 109.9° | 109.5° |
| C12 | C11 | H9 | 109.8° | 109.5° |
| C11 | C12 | H10 | 109.8° | 109.5° |
| C11 | C12 | H11 | 109.8° | 109.5° |
| C19 | N18 | C21 | 120.7° | 119.8° |
| C19 | N18 | C17 | 117.9° | 119.8° |
| N18 | C19 | H15 | 109.5° | 109.4° |
| N18 | C19 | H16 | 109.4° | 109.5° |
| N18 | C19 | H17 | 109.5° | 109.5° |
| O13 | C14 | C15 | 109.6° | 109.3° |
| O13 | C14 | H12 | 109.4° | 109.5° |
| O13 | C14 | H13 | 109.5° | 109.5° |
| C11 | N10 | C15 | 113.0° | 110.8° |
| C11 | N10 | C09 | 115.1° | 111.0° |
| N10 | C11 | H8 | 109.8° | 109.5° |
| N10 | C11 | H9 | 109.9° | 109.5° |
| O22 | C21 | N18 | 118.8° | 119.5° |
| O22 | C21 | C20 | 118.9° | 119.5° |
| C21 | N18 | C17 | 121.3° | 120.4° |
| N18 | C21 | C20 | 122.2° | 121.0° |
| N18 | C17 | C16 | 120.1° | 120.7° |
| N18 | C17 | C05 | 119.4° | 119.8° |
| C17 | C16 | C09 | 118.6° | 119.8° |
| C16 | C17 | C05 | 120.5° | 119.6° |
| C17 | C16 | H14 | 120.7° | 120.1° |
| C16 | C09 | N10 | 120.9° | 119.8° |
| C16 | C09 | C07 | 121.0° | 120.5° |
| C09 | C16 | H14 | 120.7° | 120.1° |
| C14 | C15 | N10 | 107.8° | 109.3° |
| C14 | C15 | H1 | 109.9° | 109.5° |
| C14 | C15 | H2 | 109.9° | 109.5° |
| C15 | C14 | H12 | 109.4° | 109.5° |
| C15 | C14 | H13 | 109.4° | 109.6° |
| C15 | N10 | C09 | 109.8° | 111.0° |
| N10 | C15 | H1 | 109.9° | 109.5° |
| N10 | C15 | H2 | 109.9° | 109.5° |
| N10 | C09 | C07 | 118.0° | 119.8° |
| C21 | C20 | C04 | 115.9° | 120.3° |
| C21 | C20 | H3 | 122.1° | 119.8° |
| C17 | C05 | C04 | 118.5° | 119.3° |
| C17 | C05 | C06 | 120.4° | 119.9° |
| C09 | C07 | C06 | 121.3° | 120.5° |
| C09 | C07 | F08 | 119.9° | 119.8° |
| C20 | C04 | C05 | 122.6° | 119.2° |
| C20 | C04 | C03 | 116.1° | 120.4° |
| C04 | C20 | H3 | 122.0° | 119.8° |
| C04 | C05 | C06 | 121.0° | 120.8° |
| C05 | C04 | C03 | 121.2° | 120.4° |
| C05 | C06 | C07 | 117.8° | 119.8° |
| C05 | C06 | H7 | 121.1° | 120.1° |
| C06 | C07 | F08 | 118.4° | 119.7° |
| C07 | C06 | H7 | 121.1° | 120.0° |
| C04 | C03 | P02 | 107.2° | 109.5° |
| C04 | C03 | H5 | 110.0° | 109.5° |
| C04 | C03 | H6 | 110.1° | 109.5° |
| C03 | P02 | O23 | 107.7° | 109.5° |
| C03 | P02 | O01 | 108.8° | 109.5° |
| C03 | P02 | O24 | 105.8° | 109.5° |
| P02 | C03 | H5 | 110.1° | 109.5° |
| P02 | C03 | H6 | 110.0° | 109.5° |
| O23 | P02 | O01 | 116.5° | 109.5° |
| O23 | P02 | O24 | 107.5° | 109.4° |
| O01 | P02 | O24 | 110.0° | 109.5° |
| P02 | O01 | H4 | 109.5° | 114.0° |
| P02 | O24 | H18 | 109.5° | 114.0° |
| H1 | C15 | H2 | 109.5° | 109.5° |
| H5 | C03 | H6 | 109.5° | 109.5° |
| H8 | C11 | H9 | 109.5° | 109.5° |
| H10 | C12 | H11 | 109.5° | 109.6° |
| H12 | C14 | H13 | 109.5° | 109.5° |
| H15 | C19 | H16 | 109.5° | 109.5° |
| H15 | C19 | H17 | 109.4° | 109.5° |
| H16 | C19 | H17 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O13 | C12 | C11 | H10 | 119.8° | 120.0° |
| O13 | C12 | C11 | H11 | 119.7° | 119.9° |
| O13 | C12 | C11 | N10 | 59.2° | 56.8° |
| C12 | O13 | C14 | C15 | 58.8° | 58.6° |
| O13 | C12 | C11 | H8 | 178.9° | 63.1° |
| O13 | C12 | C11 | H9 | 60.6° | 176.8° |
| O13 | C12 | H10 | H11 | 120.7° | 120.1° |
| C12 | O13 | C14 | H12 | 178.8° | 61.3° |
| C12 | O13 | C14 | H13 | 61.2° | 178.6° |
| C11 | C12 | O13 | C14 | 59.7° | 58.6° |
| C12 | C11 | N10 | H8 | 119.7° | 120.0° |
| C12 | C11 | N10 | H9 | 119.8° | 120.0° |
| C12 | C11 | N10 | C15 | 62.0° | 58.6° |
| C12 | C11 | N10 | C09 | 170.6° | 177.6° |
| C12 | C11 | H8 | H9 | 120.7° | 120.1° |
| C11 | C12 | H10 | H11 | 120.7° | 120.1° |
| C19 | N18 | C21 | O22 | 1.4° | 0.3° |
| C19 | N18 | C21 | C17 | 179.2° | 180.0° |
| C19 | N18 | C17 | C16 | 0.1° | 0.3° |
| C19 | N18 | C21 | C20 | 179.1° | 180.0° |
| C19 | N18 | C17 | C05 | 179.8° | 180.0° |
| N18 | C19 | H15 | H16 | 120.0° | 120.0° |
| N18 | C19 | H15 | H17 | 120.0° | 120.0° |
| N18 | C19 | H16 | H17 | 120.0° | 120.0° |
| O13 | C14 | C15 | H12 | 120.0° | 120.0° |
| O13 | C14 | C15 | H13 | 120.0° | 119.9° |
| O13 | C14 | C15 | N10 | 55.8° | 56.8° |
| O13 | C14 | C15 | H1 | 63.9° | 176.7° |
| O13 | C14 | C15 | H2 | 175.5° | 63.2° |
| C14 | O13 | C12 | H10 | 60.0° | 178.6° |
| C14 | O13 | C12 | H11 | 179.5° | 61.3° |
| O13 | C14 | H12 | H13 | 120.0° | 120.0° |
| C11 | N10 | C09 | C16 | 20.7° | 63.6° |
| C11 | N10 | C15 | C14 | 60.1° | 58.6° |
| C11 | N10 | C15 | C09 | 130.0° | 123.8° |
| C11 | N10 | C09 | C07 | 157.0° | 116.4° |
| C11 | N10 | C15 | H1 | 59.6° | 178.6° |
| C11 | N10 | C15 | H2 | 179.8° | 61.4° |
| N10 | C11 | H8 | H9 | 120.7° | 120.1° |
| N10 | C11 | C12 | H10 | 60.6° | 176.8° |
| N10 | C11 | C12 | H11 | 178.9° | 63.0° |
| O22 | C21 | N18 | C20 | 177.7° | 179.7° |
| O22 | C21 | N18 | C17 | 179.4° | 179.7° |
| O22 | C21 | C20 | C04 | 179.8° | 179.9° |
| O22 | C21 | C20 | H3 | 0.2° | 0.1° |
| C21 | N18 | C17 | C16 | 179.1° | 179.7° |
| C21 | N18 | C17 | C05 | 0.6° | 0.0° |
| N18 | C21 | C20 | C04 | 2.5° | 0.3° |
| N18 | C21 | C20 | H3 | 177.5° | 179.8° |
| C21 | N18 | C19 | H15 | 180.0° | 0.0° |
| C21 | N18 | C19 | H16 | 60.0° | 120.0° |
| C21 | N18 | C19 | H17 | 60.0° | 120.0° |
| N18 | C17 | C16 | C05 | 179.7° | 179.7° |
| N18 | C17 | C16 | C09 | 176.7° | 179.7° |
| C17 | N18 | C21 | C20 | 1.7° | 0.0° |
| N18 | C17 | C05 | C04 | 0.3° | 0.3° |
| N18 | C17 | C05 | C06 | 177.4° | 179.7° |
| N18 | C17 | C16 | H14 | 3.3° | 0.2° |
| C17 | N18 | C19 | H15 | 0.8° | 180.0° |
| C17 | N18 | C19 | H16 | 120.8° | 60.0° |
| C17 | N18 | C19 | H17 | 119.2° | 60.0° |
| C17 | C16 | C09 | H14 | 180.0° | 179.9° |
| C17 | C16 | C09 | N10 | 177.5° | 180.0° |
| C17 | C16 | C09 | C07 | 4.9° | 0.1° |
| C16 | C17 | C05 | C04 | 179.4° | 180.0° |
| C16 | C17 | C05 | C06 | 2.9° | 0.0° |
| C16 | C09 | N10 | C15 | 108.2° | 60.0° |
| C16 | C09 | N10 | C07 | 177.7° | 180.0° |
| C09 | C16 | C17 | C05 | 3.6° | 0.1° |
| C16 | C09 | C07 | C06 | 5.5° | 0.0° |
| C16 | C09 | C07 | F08 | 178.4° | 180.0° |
| C14 | C15 | N10 | H1 | 119.7° | 120.0° |
| C14 | C15 | N10 | H2 | 119.7° | 119.9° |
| C14 | C15 | N10 | C09 | 169.9° | 177.6° |
| C14 | C15 | H1 | H2 | 120.8° | 120.1° |
| C15 | C14 | H12 | H13 | 119.9° | 120.1° |
| C15 | N10 | C09 | C07 | 74.1° | 120.0° |
| N10 | C15 | H1 | H2 | 120.8° | 120.1° |
| C15 | N10 | C11 | H8 | 178.2° | 61.4° |
| C15 | N10 | C11 | H9 | 57.7° | 178.6° |
| N10 | C15 | C14 | H12 | 175.8° | 63.2° |
| N10 | C15 | C14 | H13 | 64.2° | 176.7° |
| N10 | C09 | C07 | C06 | 176.9° | 180.0° |
| N10 | C09 | C07 | F08 | 3.9° | 0.0° |
| C09 | N10 | C15 | H1 | 70.4° | 57.6° |
| C09 | N10 | C15 | H2 | 50.1° | 62.4° |
| C09 | N10 | C11 | H8 | 50.9° | 62.4° |
| C09 | N10 | C11 | H9 | 69.6° | 57.6° |
| N10 | C09 | C16 | H14 | 2.5° | 0.1° |
| C21 | C20 | C04 | H3 | 180.0° | 180.0° |
| C21 | C20 | C04 | C05 | 2.2° | 0.6° |
| C21 | C20 | C04 | C03 | 178.5° | 180.0° |
| C17 | C05 | C04 | C20 | 1.2° | 0.5° |
| C17 | C05 | C04 | C06 | 177.7° | 180.0° |
| C17 | C05 | C06 | C07 | 3.3° | 0.1° |
| C17 | C05 | C04 | C03 | 177.2° | 180.0° |
| C17 | C05 | C06 | H7 | 176.7° | 180.0° |
| C05 | C17 | C16 | H14 | 176.3° | 180.0° |
| C09 | C07 | C06 | C05 | 4.5° | 0.1° |
| C09 | C07 | C06 | F08 | 173.0° | 180.0° |
| C09 | C07 | C06 | H7 | 175.4° | 179.9° |
| C07 | C09 | C16 | H14 | 175.1° | 180.0° |
| C20 | C04 | C05 | C03 | 176.1° | 179.5° |
| C20 | C04 | C05 | C06 | 176.5° | 179.4° |
| C20 | C04 | C03 | P02 | 91.2° | 0.0° |
| C20 | C04 | C03 | H5 | 149.2° | 120.0° |
| C20 | C04 | C03 | H6 | 28.5° | 120.0° |
| C04 | C05 | C06 | C07 | 179.1° | 179.9° |
| C05 | C04 | C03 | P02 | 85.2° | 179.5° |
| C05 | C04 | C20 | H3 | 177.8° | 179.5° |
| C05 | C04 | C03 | H5 | 34.5° | 60.5° |
| C05 | C04 | C03 | H6 | 155.2° | 59.5° |
| C04 | C05 | C06 | H7 | 0.9° | 0.1° |
| C05 | C06 | C07 | H7 | 180.0° | 180.0° |
| C05 | C06 | C07 | F08 | 177.6° | 180.0° |
| C06 | C05 | C04 | C03 | 0.4° | 0.0° |
| F08 | C07 | C06 | H7 | 2.4° | 0.0° |
| C04 | C03 | P02 | H5 | 119.6° | 120.0° |
| C04 | C03 | P02 | H6 | 119.6° | 120.0° |
| C04 | C03 | P02 | O23 | 64.6° | 55.0° |
| C04 | C03 | P02 | O01 | 62.6° | 65.0° |
| C04 | C03 | P02 | O24 | 179.3° | 175.0° |
| C03 | C04 | C20 | H3 | 1.5° | 0.0° |
| C04 | C03 | H5 | H6 | 121.1° | 120.0° |
| C03 | P02 | O23 | O01 | 122.5° | 120.0° |
| C03 | P02 | O23 | O24 | 113.6° | 120.0° |
| C03 | P02 | O01 | O24 | 115.5° | 120.1° |
| C03 | P02 | O01 | H4 | 121.9° | 60.0° |
| P02 | C03 | H5 | H6 | 121.1° | 120.0° |
| C03 | P02 | O24 | H18 | 114.9° | 180.0° |
| O23 | P02 | O01 | O24 | 122.6° | 119.9° |
| O23 | P02 | O01 | H4 | 0.0° | 180.0° |
| O23 | P02 | C03 | H5 | 175.8° | 65.0° |
| O23 | P02 | C03 | H6 | 55.1° | 175.0° |
| O23 | P02 | O24 | H18 | 0.0° | 60.0° |
| O01 | P02 | C03 | H5 | 57.1° | 175.0° |
| O01 | P02 | C03 | H6 | 177.8° | 55.0° |
| O01 | P02 | O24 | H18 | 127.8° | 60.0° |
| O24 | P02 | O01 | H4 | 122.6° | 60.0° |
| O24 | P02 | C03 | H5 | 61.1° | 55.0° |
| O24 | P02 | C03 | H6 | 59.7° | 65.0° |
| H1 | C15 | C14 | H12 | 56.1° | 56.8° |
| H1 | C15 | C14 | H13 | 176.0° | 63.3° |
| H2 | C15 | C14 | H12 | 64.4° | 176.9° |
| H2 | C15 | C14 | H13 | 55.5° | 56.8° |
| H8 | C11 | C12 | H10 | 59.1° | 56.9° |
| H8 | C11 | C12 | H11 | 61.4° | 177.0° |
| H9 | C11 | C12 | H10 | 179.6° | 63.2° |
| H9 | C11 | C12 | H11 | 59.1° | 56.9° |
| H15 | C19 | H16 | H17 | 119.9° | 120.0° |
