A1A4D
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O07 | P06 | doub | 1.48Å | 1.52Å | |
| O01 | C02 | doub | 1.22Å | 1.25Å | |
| O09 | P06 | sing | 1.61Å | 1.52Å | |
| P06 | O08 | sing | 1.61Å | 1.51Å | |
| P06 | C05 | sing | 1.82Å | 1.88Å | |
| C02 | C03 | sing | 1.41Å | 1.48Å | |
| C02 | N19 | sing | 1.34Å | 1.45Å | |
| C03 | C04 | doub | 1.36Å | 1.46Å | |
| C20 | N19 | sing | 1.47Å | 1.50Å | |
| N19 | C18 | sing | 1.38Å | 1.51Å | |
| C05 | C04 | sing | 1.51Å | 1.55Å | |
| C04 | C10 | sing | 1.46Å | 1.54Å | |
| C18 | C10 | doub | 1.41Å | 1.42Å | Aromatic |
| C18 | C17 | sing | 1.39Å | 1.39Å | Aromatic |
| C10 | C11 | sing | 1.40Å | 1.39Å | Aromatic |
| C17 | C13 | doub | 1.38Å | 1.38Å | Aromatic |
| C11 | C12 | doub | 1.37Å | 1.39Å | Aromatic |
| C13 | C12 | sing | 1.39Å | 1.42Å | Aromatic |
| C13 | C14 | sing | 1.51Å | 1.54Å | |
| C16 | C14 | sing | 1.53Å | 1.52Å | |
| C16 | C15 | sing | 1.53Å | 1.53Å | |
| C14 | C15 | sing | 1.53Å | 1.54Å | |
| C15 | H1 | sing | 1.09Å | 1.10Å | |
| C15 | H2 | sing | 1.09Å | 1.10Å | |
| C14 | H3 | sing | 1.09Å | 1.10Å | |
| C16 | H4 | sing | 1.09Å | 1.10Å | |
| C16 | H5 | sing | 1.09Å | 1.10Å | |
| C17 | H6 | sing | 1.08Å | 1.08Å | |
| C12 | H7 | sing | 1.08Å | 1.08Å | |
| C11 | H8 | sing | 1.08Å | 1.08Å | |
| C20 | H9 | sing | 1.09Å | 1.10Å | |
| C20 | H10 | sing | 1.09Å | 1.10Å | |
| C20 | H11 | sing | 1.09Å | 1.10Å | |
| C03 | H12 | sing | 1.08Å | 1.08Å | |
| C05 | H13 | sing | 1.09Å | 1.10Å | |
| C05 | H14 | sing | 1.09Å | 1.10Å | |
| O08 | H15 | sing | 0.97Å | 0.95Å | |
| O09 | H16 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O07 | P06 | O09 | 108.8° | 109.5° |
| O07 | P06 | O08 | 114.7° | 109.4° |
| O07 | P06 | C05 | 110.0° | 109.5° |
| O01 | C02 | C03 | 121.9° | 119.1° |
| O01 | C02 | N19 | 118.9° | 119.2° |
| O09 | P06 | O08 | 114.2° | 109.5° |
| O09 | P06 | C05 | 101.3° | 109.5° |
| P06 | O09 | H16 | 109.5° | 114.0° |
| O08 | P06 | C05 | 107.0° | 109.5° |
| P06 | O08 | H15 | 109.5° | 114.0° |
| P06 | C05 | C04 | 107.3° | 109.5° |
| P06 | C05 | H13 | 110.0° | 109.5° |
| P06 | C05 | H14 | 110.0° | 109.4° |
| C03 | C02 | N19 | 119.1° | 121.7° |
| C02 | C03 | C04 | 119.3° | 120.2° |
| C02 | C03 | H12 | 120.4° | 119.9° |
| C02 | N19 | C20 | 117.2° | 119.6° |
| C02 | N19 | C18 | 122.5° | 121.0° |
| C03 | C04 | C05 | 116.8° | 120.7° |
| C03 | C04 | C10 | 120.8° | 118.5° |
| C04 | C03 | H12 | 120.4° | 119.9° |
| C20 | N19 | C18 | 120.3° | 119.5° |
| N19 | C20 | H9 | 109.5° | 109.4° |
| N19 | C20 | H10 | 109.4° | 109.4° |
| N19 | C20 | H11 | 109.5° | 109.5° |
| N19 | C18 | C10 | 119.2° | 119.6° |
| N19 | C18 | C17 | 119.1° | 121.0° |
| C05 | C04 | C10 | 122.4° | 120.7° |
| C04 | C05 | H13 | 110.0° | 109.5° |
| C04 | C05 | H14 | 110.0° | 109.5° |
| C04 | C10 | C18 | 119.0° | 119.0° |
| C04 | C10 | C11 | 122.0° | 121.1° |
| C10 | C18 | C17 | 121.6° | 119.4° |
| C18 | C10 | C11 | 119.0° | 119.8° |
| C18 | C17 | C13 | 119.0° | 119.8° |
| C18 | C17 | H6 | 120.5° | 120.1° |
| C10 | C11 | C12 | 119.7° | 119.7° |
| C10 | C11 | H8 | 120.2° | 120.1° |
| C17 | C13 | C12 | 119.8° | 120.7° |
| C17 | C13 | C14 | 118.0° | 119.7° |
| C13 | C17 | H6 | 120.5° | 120.1° |
| C11 | C12 | C13 | 120.7° | 120.6° |
| C11 | C12 | H7 | 119.6° | 119.7° |
| C12 | C11 | H8 | 120.1° | 120.1° |
| C12 | C13 | C14 | 122.2° | 119.7° |
| C13 | C12 | H7 | 119.7° | 119.7° |
| C13 | C14 | C16 | 124.3° | 117.5° |
| C13 | C14 | C15 | 131.6° | 117.5° |
| C13 | C14 | H3 | 110.4° | 115.5° |
| C14 | C16 | C15 | 60.5° | 60.0° |
| C16 | C14 | C15 | 60.2° | 60.0° |
| C16 | C14 | H3 | 110.8° | 117.5° |
| C14 | C16 | H4 | 119.9° | 117.6° |
| C14 | C16 | H5 | 119.9° | 117.4° |
| C16 | C15 | C14 | 59.3° | 60.0° |
| C16 | C15 | H1 | 120.1° | 117.5° |
| C16 | C15 | H2 | 120.1° | 117.5° |
| C15 | C16 | H4 | 119.9° | 117.5° |
| C15 | C16 | H5 | 119.9° | 117.5° |
| C14 | C15 | H1 | 120.1° | 117.5° |
| C14 | C15 | H2 | 120.1° | 117.5° |
| C15 | C14 | H3 | 110.5° | 117.5° |
| H1 | C15 | H2 | 109.4° | 115.5° |
| H4 | C16 | H5 | 109.5° | 115.6° |
| H9 | C20 | H10 | 109.5° | 109.5° |
| H9 | C20 | H11 | 109.5° | 109.5° |
| H10 | C20 | H11 | 109.5° | 109.5° |
| H13 | C05 | H14 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O07 | P06 | O09 | O08 | 129.5° | 120.0° |
| O07 | P06 | O09 | C05 | 115.8° | 120.0° |
| O07 | P06 | O08 | C05 | 122.2° | 120.0° |
| O07 | P06 | C05 | C04 | 54.1° | 55.1° |
| O07 | P06 | C05 | H13 | 173.8° | 65.0° |
| O07 | P06 | C05 | H14 | 65.5° | 175.0° |
| O07 | P06 | O08 | H15 | 0.0° | 60.0° |
| O07 | P06 | O09 | H16 | 0.0° | 180.0° |
| O01 | C02 | C03 | N19 | 177.0° | 179.8° |
| O01 | C02 | C03 | C04 | 179.3° | 180.0° |
| O01 | C02 | N19 | C20 | 1.2° | 0.0° |
| O01 | C02 | N19 | C18 | 179.6° | 179.9° |
| O01 | C02 | C03 | H12 | 0.7° | 0.0° |
| O09 | P06 | O08 | C05 | 111.2° | 120.0° |
| O09 | P06 | C05 | C04 | 169.1° | 65.0° |
| O09 | P06 | C05 | H13 | 71.2° | 175.0° |
| O09 | P06 | C05 | H14 | 49.4° | 55.0° |
| O09 | P06 | O08 | H15 | 126.6° | 60.0° |
| O08 | P06 | C05 | C04 | 71.0° | 175.0° |
| O08 | P06 | C05 | H13 | 48.7° | 55.0° |
| O08 | P06 | C05 | H14 | 169.4° | 65.0° |
| O08 | P06 | O09 | H16 | 129.6° | 60.0° |
| P06 | C05 | C04 | C03 | 97.6° | 0.0° |
| P06 | C05 | C04 | H13 | 119.7° | 120.0° |
| P06 | C05 | C04 | H14 | 119.7° | 119.9° |
| P06 | C05 | C04 | C10 | 83.6° | 180.0° |
| P06 | C05 | H13 | H14 | 121.0° | 119.9° |
| C05 | P06 | O08 | H15 | 122.2° | 179.9° |
| C05 | P06 | O09 | H16 | 115.8° | 60.0° |
| C02 | C03 | C04 | H12 | 180.0° | 180.0° |
| C03 | C02 | N19 | C20 | 178.3° | 179.8° |
| C03 | C02 | N19 | C18 | 3.3° | 0.3° |
| C02 | C03 | C04 | C05 | 178.5° | 180.0° |
| C02 | C03 | C04 | C10 | 2.7° | 0.0° |
| N19 | C02 | C03 | C04 | 3.7° | 0.2° |
| C02 | N19 | C20 | C18 | 178.5° | 179.9° |
| C02 | N19 | C18 | C10 | 1.8° | 0.0° |
| C02 | N19 | C18 | C17 | 177.1° | 179.5° |
| C02 | N19 | C20 | H9 | 180.0° | 0.0° |
| C02 | N19 | C20 | H10 | 60.0° | 120.0° |
| C02 | N19 | C20 | H11 | 60.0° | 120.0° |
| N19 | C02 | C03 | H12 | 176.3° | 179.8° |
| C03 | C04 | C05 | C10 | 178.9° | 179.9° |
| C03 | C04 | C10 | C18 | 1.2° | 0.2° |
| C03 | C04 | C10 | C11 | 180.0° | 180.0° |
| C03 | C04 | C05 | H13 | 142.8° | 120.0° |
| C03 | C04 | C05 | H14 | 22.1° | 120.0° |
| C20 | N19 | C18 | C10 | 179.8° | 180.0° |
| C20 | N19 | C18 | C17 | 1.3° | 0.5° |
| N19 | C20 | H9 | H10 | 120.0° | 119.9° |
| N19 | C20 | H9 | H11 | 120.0° | 120.0° |
| N19 | C20 | H10 | H11 | 120.0° | 120.0° |
| N19 | C18 | C10 | C04 | 0.7° | 0.2° |
| N19 | C18 | C10 | C17 | 178.9° | 179.5° |
| N19 | C18 | C10 | C11 | 179.5° | 180.0° |
| N19 | C18 | C17 | C13 | 179.6° | 179.9° |
| N19 | C18 | C17 | H6 | 0.3° | 0.3° |
| C18 | N19 | C20 | H9 | 1.5° | 180.0° |
| C18 | N19 | C20 | H10 | 121.5° | 60.1° |
| C18 | N19 | C20 | H11 | 118.5° | 60.0° |
| C05 | C04 | C10 | C18 | 180.0° | 179.8° |
| C05 | C04 | C10 | C11 | 1.2° | 0.0° |
| C05 | C04 | C03 | H12 | 1.6° | 0.0° |
| C04 | C05 | H13 | H14 | 121.0° | 120.0° |
| C04 | C10 | C18 | C11 | 178.8° | 179.8° |
| C04 | C10 | C18 | C17 | 178.2° | 179.7° |
| C04 | C10 | C11 | C12 | 176.8° | 179.9° |
| C04 | C10 | C11 | H8 | 3.2° | 0.0° |
| C10 | C04 | C03 | H12 | 177.3° | 180.0° |
| C10 | C04 | C05 | H13 | 36.1° | 60.0° |
| C10 | C04 | C05 | H14 | 156.8° | 60.1° |
| C10 | C18 | C17 | C13 | 0.7° | 0.6° |
| C18 | C10 | C11 | C12 | 1.9° | 0.2° |
| C10 | C18 | C17 | H6 | 179.2° | 179.8° |
| C18 | C10 | C11 | H8 | 178.1° | 179.7° |
| C17 | C18 | C10 | C11 | 0.6° | 0.5° |
| C18 | C17 | C13 | H6 | 180.0° | 179.7° |
| C18 | C17 | C13 | C12 | 2.2° | 0.3° |
| C18 | C17 | C13 | C14 | 179.2° | 179.7° |
| C10 | C11 | C12 | H8 | 180.0° | 179.9° |
| C10 | C11 | C12 | C13 | 3.4° | 0.1° |
| C10 | C11 | C12 | H7 | 176.5° | 180.0° |
| C17 | C13 | C12 | C11 | 3.6° | 0.0° |
| C17 | C13 | C12 | C14 | 178.6° | 180.0° |
| C17 | C13 | C14 | C16 | 43.6° | 171.4° |
| C17 | C13 | C14 | C15 | 34.9° | 120.0° |
| C17 | C13 | C14 | H3 | 179.0° | 25.7° |
| C17 | C13 | C12 | H7 | 176.4° | 180.0° |
| C11 | C12 | C13 | H7 | 180.0° | 179.9° |
| C11 | C12 | C13 | C14 | 177.9° | 179.9° |
| C12 | C13 | C14 | C16 | 134.9° | 8.6° |
| C12 | C13 | C14 | C15 | 146.5° | 60.0° |
| C12 | C13 | C14 | H3 | 0.4° | 154.3° |
| C12 | C13 | C17 | H6 | 177.8° | 180.0° |
| C13 | C12 | C11 | H8 | 176.6° | 180.0° |
| C13 | C14 | C16 | C15 | 122.4° | 107.5° |
| C13 | C14 | C16 | H3 | 135.3° | 145.0° |
| C13 | C14 | C15 | H3 | 146.1° | 145.0° |
| C13 | C14 | C15 | H1 | 1.8° | 145.0° |
| C13 | C14 | C15 | H2 | 139.7° | 0.0° |
| C13 | C14 | C16 | H4 | 12.8° | 145.0° |
| C13 | C14 | C16 | H5 | 128.0° | 0.0° |
| C14 | C13 | C17 | H6 | 0.8° | 0.1° |
| C14 | C13 | C12 | H7 | 2.1° | 0.0° |
| C14 | C16 | C15 | H4 | 109.6° | 107.5° |
| C14 | C16 | C15 | H5 | 109.6° | 107.4° |
| C16 | C14 | C15 | H3 | 102.9° | 107.5° |
| C14 | C16 | C15 | H1 | 109.3° | 107.5° |
| C14 | C16 | C15 | H2 | 109.3° | 107.5° |
| C14 | C16 | H4 | H5 | 144.5° | 145.7° |
| C16 | C15 | H1 | H2 | 145.1° | 145.6° |
| C15 | C16 | H4 | H5 | 144.5° | 145.7° |
| C14 | C15 | H1 | H2 | 145.1° | 145.7° |
| H1 | C15 | C14 | H3 | 147.8° | 0.0° |
| H1 | C15 | C16 | H4 | 0.4° | 0.0° |
| H1 | C15 | C16 | H5 | 141.1° | 145.0° |
| H2 | C15 | C14 | H3 | 6.4° | 145.0° |
| H2 | C15 | C16 | H4 | 141.1° | 145.0° |
| H2 | C15 | C16 | H5 | 0.3° | 0.1° |
| H3 | C14 | C16 | H4 | 148.0° | 0.0° |
| H3 | C14 | C16 | H5 | 7.2° | 145.0° |
| H7 | C12 | C11 | H8 | 3.5° | 0.1° |
| H9 | C20 | H10 | H11 | 120.0° | 120.1° |
