A1PSL
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C13 | C14 | sing | 1.53Å | 1.54Å | |
| C13 | O2 | sing | 1.43Å | 1.42Å | |
| C14 | C10 | sing | 1.53Å | 1.54Å | |
| O2 | C12 | sing | 1.43Å | 1.42Å | |
| O1 | C1 | doub | 1.21Å | 1.23Å | |
| C10 | C1 | sing | 1.51Å | 1.52Å | |
| C10 | C11 | sing | 1.53Å | 1.54Å | |
| C1 | N1 | sing | 1.35Å | 1.33Å | |
| C12 | C11 | sing | 1.53Å | 1.53Å | |
| N1 | C2 | sing | 1.46Å | 1.45Å | |
| C2 | C3 | sing | 1.51Å | 1.52Å | |
| C3 | C9 | doub | 1.40Å | 1.42Å | Aromatic |
| C3 | C4 | sing | 1.38Å | 1.41Å | Aromatic |
| C8 | C9 | sing | 1.46Å | 1.44Å | Aromatic |
| C8 | C7 | doub | 1.34Å | 1.38Å | Aromatic |
| C9 | C6 | sing | 1.41Å | 1.42Å | Aromatic |
| C4 | C5 | doub | 1.39Å | 1.41Å | Aromatic |
| C7 | N3 | sing | 1.37Å | 1.38Å | Aromatic |
| C6 | N3 | sing | 1.37Å | 1.37Å | Aromatic |
| C6 | N2 | doub | 1.33Å | 1.36Å | Aromatic |
| C5 | N2 | sing | 1.32Å | 1.35Å | Aromatic |
| C13 | H14 | sing | 1.09Å | 1.10Å | |
| C13 | H15 | sing | 1.09Å | 1.10Å | |
| C11 | H10 | sing | 1.09Å | 1.10Å | |
| C11 | H11 | sing | 1.09Å | 1.10Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| C12 | H13 | sing | 1.09Å | 1.10Å | |
| C10 | H9 | sing | 1.09Å | 1.10Å | |
| C14 | H16 | sing | 1.09Å | 1.10Å | |
| C14 | H17 | sing | 1.09Å | 1.10Å | |
| C2 | H3 | sing | 1.09Å | 1.10Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C7 | H7 | sing | 1.08Å | 1.08Å | |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| N3 | H6 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C14 | C13 | O2 | 109.8° | 109.5° |
| C13 | C14 | C10 | 109.8° | 109.1° |
| C14 | C13 | H14 | 109.4° | 109.4° |
| C14 | C13 | H15 | 109.4° | 109.5° |
| C13 | C14 | H16 | 109.4° | 109.6° |
| C13 | C14 | H17 | 109.4° | 109.5° |
| C13 | O2 | C12 | 113.1° | 114.1° |
| O2 | C13 | H14 | 109.4° | 109.5° |
| O2 | C13 | H15 | 109.4° | 109.5° |
| C14 | C10 | C1 | 113.1° | 109.5° |
| C14 | C10 | C11 | 109.0° | 109.0° |
| C14 | C10 | H9 | 109.1° | 109.6° |
| C10 | C14 | H16 | 109.4° | 109.5° |
| C10 | C14 | H17 | 109.4° | 109.5° |
| O2 | C12 | C11 | 108.7° | 109.4° |
| O2 | C12 | H12 | 109.7° | 109.5° |
| O2 | C12 | H13 | 109.6° | 109.5° |
| O1 | C1 | C10 | 120.2° | 120.0° |
| O1 | C1 | N1 | 123.7° | 120.0° |
| C1 | C10 | C11 | 107.3° | 109.6° |
| C10 | C1 | N1 | 116.0° | 120.0° |
| C1 | C10 | H9 | 109.2° | 109.6° |
| C10 | C11 | C12 | 110.4° | 109.2° |
| C10 | C11 | H10 | 109.2° | 109.5° |
| C10 | C11 | H11 | 109.2° | 109.6° |
| C11 | C10 | H9 | 109.1° | 109.5° |
| C1 | N1 | C2 | 125.1° | 120.0° |
| C1 | N1 | H1 | 117.5° | 120.0° |
| C12 | C11 | H10 | 109.2° | 109.5° |
| C12 | C11 | H11 | 109.2° | 109.5° |
| C11 | C12 | H12 | 109.7° | 109.5° |
| C11 | C12 | H13 | 109.6° | 109.5° |
| N1 | C2 | C3 | 106.4° | 109.4° |
| N1 | C2 | H3 | 110.2° | 109.5° |
| N1 | C2 | H2 | 110.2° | 109.4° |
| C2 | N1 | H1 | 117.5° | 120.0° |
| C2 | C3 | C9 | 120.7° | 121.0° |
| C2 | C3 | C4 | 120.4° | 121.0° |
| C3 | C2 | H3 | 110.3° | 109.5° |
| C3 | C2 | H2 | 110.2° | 109.5° |
| C9 | C3 | C4 | 118.9° | 118.0° |
| C3 | C9 | C8 | 136.8° | 134.3° |
| C3 | C9 | C6 | 115.8° | 119.5° |
| C3 | C4 | C5 | 119.0° | 119.4° |
| C3 | C4 | H4 | 120.5° | 120.3° |
| C9 | C8 | C7 | 107.0° | 106.9° |
| C8 | C9 | C6 | 107.3° | 106.2° |
| C9 | C8 | H8 | 126.5° | 126.5° |
| C8 | C7 | N3 | 108.8° | 109.9° |
| C8 | C7 | H7 | 125.6° | 125.1° |
| C7 | C8 | H8 | 126.5° | 126.6° |
| C9 | C6 | N3 | 106.8° | 107.0° |
| C9 | C6 | N2 | 126.9° | 119.8° |
| C4 | C5 | N2 | 124.3° | 121.6° |
| C5 | C4 | H4 | 120.5° | 120.4° |
| C4 | C5 | H5 | 117.8° | 119.2° |
| C7 | N3 | C6 | 110.2° | 110.0° |
| N3 | C7 | H7 | 125.6° | 125.0° |
| C7 | N3 | H6 | 124.9° | 125.0° |
| N3 | C6 | N2 | 126.3° | 133.2° |
| C6 | N3 | H6 | 124.9° | 125.0° |
| C6 | N2 | C5 | 115.0° | 121.6° |
| N2 | C5 | H5 | 117.8° | 119.2° |
| H14 | C13 | H15 | 109.5° | 109.4° |
| H10 | C11 | H11 | 109.5° | 109.5° |
| H12 | C12 | H13 | 109.5° | 109.5° |
| H16 | C14 | H17 | 109.5° | 109.6° |
| H3 | C2 | H2 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C14 | C13 | O2 | H14 | 120.0° | 120.0° |
| C14 | C13 | O2 | H15 | 120.0° | 120.0° |
| C13 | C14 | C10 | H16 | 120.0° | 119.9° |
| C13 | C14 | C10 | H17 | 120.1° | 119.9° |
| C14 | C13 | O2 | C12 | 63.3° | 61.1° |
| C13 | C14 | C10 | C1 | 172.4° | 176.8° |
| C13 | C14 | C10 | C11 | 53.1° | 56.9° |
| C14 | C13 | H14 | H15 | 119.8° | 119.9° |
| C13 | C14 | C10 | H9 | 65.9° | 62.9° |
| C13 | C14 | H16 | H17 | 119.8° | 120.2° |
| O2 | C13 | C14 | C10 | 56.7° | 57.6° |
| C13 | O2 | C12 | C11 | 63.6° | 61.1° |
| O2 | C13 | H14 | H15 | 119.9° | 120.1° |
| C13 | O2 | C12 | H12 | 176.5° | 58.9° |
| C13 | O2 | C12 | H13 | 56.2° | 178.9° |
| O2 | C13 | C14 | H16 | 176.8° | 177.5° |
| O2 | C13 | C14 | H17 | 63.3° | 62.3° |
| C14 | C10 | C1 | O1 | 48.0° | 119.6° |
| C14 | C10 | C1 | C11 | 120.2° | 119.5° |
| C14 | C10 | C1 | H9 | 121.6° | 120.3° |
| C14 | C10 | C11 | H9 | 119.0° | 119.9° |
| C14 | C10 | C1 | N1 | 132.9° | 60.5° |
| C14 | C10 | C11 | C12 | 54.4° | 57.0° |
| C10 | C14 | C13 | H14 | 176.8° | 177.6° |
| C10 | C14 | C13 | H15 | 63.3° | 62.5° |
| C14 | C10 | C11 | H10 | 174.5° | 63.0° |
| C14 | C10 | C11 | H11 | 65.8° | 176.9° |
| C10 | C14 | H16 | H17 | 119.8° | 120.2° |
| O2 | C12 | C11 | C10 | 58.4° | 57.6° |
| O2 | C12 | C11 | H12 | 119.9° | 120.0° |
| O2 | C12 | C11 | H13 | 119.9° | 120.0° |
| C12 | O2 | C13 | H14 | 176.7° | 178.9° |
| C12 | O2 | C13 | H15 | 56.7° | 58.9° |
| O2 | C12 | C11 | H10 | 178.5° | 62.3° |
| O2 | C12 | C11 | H11 | 61.8° | 177.6° |
| O2 | C12 | H12 | H13 | 120.3° | 120.0° |
| O1 | C1 | C10 | N1 | 179.1° | 179.9° |
| O1 | C1 | C10 | C11 | 72.2° | 0.0° |
| O1 | C1 | N1 | C2 | 1.8° | 0.1° |
| O1 | C1 | C10 | H9 | 169.6° | 120.2° |
| O1 | C1 | N1 | H1 | 178.2° | 180.0° |
| C1 | C10 | C11 | H9 | 118.2° | 120.2° |
| C1 | C10 | C11 | C12 | 177.2° | 176.8° |
| C10 | C1 | N1 | C2 | 177.3° | 180.0° |
| C1 | C10 | C11 | H10 | 62.7° | 56.9° |
| C1 | C10 | C11 | H11 | 57.0° | 63.2° |
| C1 | C10 | C14 | H16 | 67.6° | 63.3° |
| C1 | C10 | C14 | H17 | 52.3° | 56.9° |
| C10 | C1 | N1 | H1 | 2.7° | 0.1° |
| C11 | C10 | C1 | N1 | 106.9° | 180.0° |
| C10 | C11 | C12 | H10 | 120.1° | 119.9° |
| C10 | C11 | C12 | H11 | 120.2° | 120.0° |
| C10 | C11 | H10 | H11 | 119.6° | 120.1° |
| C10 | C11 | C12 | H12 | 178.3° | 62.4° |
| C10 | C11 | C12 | H13 | 61.5° | 177.6° |
| C11 | C10 | C14 | H16 | 173.2° | 176.9° |
| C11 | C10 | C14 | H17 | 66.9° | 62.9° |
| C1 | N1 | C2 | H1 | 180.0° | 179.9° |
| C1 | N1 | C2 | C3 | 115.4° | 179.9° |
| N1 | C1 | C10 | H9 | 11.2° | 59.8° |
| C1 | N1 | C2 | H3 | 125.1° | 60.1° |
| C1 | N1 | C2 | H2 | 4.1° | 60.0° |
| C12 | C11 | H10 | H11 | 119.6° | 120.1° |
| C11 | C12 | H12 | H13 | 120.3° | 120.0° |
| C12 | C11 | C10 | H9 | 64.6° | 62.9° |
| N1 | C2 | C3 | H3 | 119.5° | 120.0° |
| N1 | C2 | C3 | H2 | 119.5° | 119.9° |
| N1 | C2 | C3 | C9 | 79.1° | 80.0° |
| N1 | C2 | C3 | C4 | 98.3° | 99.7° |
| N1 | C2 | H3 | H2 | 121.4° | 120.0° |
| C2 | C3 | C9 | C4 | 177.4° | 179.7° |
| C2 | C3 | C9 | C8 | 3.4° | 0.0° |
| C2 | C3 | C9 | C6 | 179.3° | 180.0° |
| C2 | C3 | C4 | C5 | 178.8° | 180.0° |
| C3 | C2 | H3 | H2 | 121.4° | 120.0° |
| C2 | C3 | C4 | H4 | 1.2° | 0.0° |
| C3 | C2 | N1 | H1 | 64.6° | 0.0° |
| C3 | C9 | C8 | C6 | 177.4° | 180.0° |
| C3 | C9 | C8 | C7 | 178.1° | 180.0° |
| C9 | C3 | C4 | C5 | 1.3° | 0.3° |
| C3 | C9 | C6 | N3 | 178.7° | 179.7° |
| C3 | C9 | C6 | N2 | 1.9° | 0.0° |
| C9 | C3 | C2 | H3 | 161.4° | 160.0° |
| C9 | C3 | C2 | H2 | 40.4° | 39.9° |
| C9 | C3 | C4 | H4 | 178.7° | 179.7° |
| C3 | C9 | C8 | H8 | 1.9° | 0.0° |
| C4 | C3 | C9 | C8 | 179.1° | 179.7° |
| C4 | C3 | C9 | C6 | 1.9° | 0.3° |
| C3 | C4 | C5 | H4 | 180.0° | 180.0° |
| C3 | C4 | C5 | N2 | 0.5° | 0.0° |
| C4 | C3 | C2 | H3 | 21.2° | 20.3° |
| C4 | C3 | C2 | H2 | 142.2° | 140.3° |
| C3 | C4 | C5 | H5 | 179.5° | 180.0° |
| C9 | C8 | C7 | H8 | 180.0° | 180.0° |
| C9 | C8 | C7 | N3 | 0.4° | 0.3° |
| C8 | C9 | C6 | N3 | 0.7° | 0.3° |
| C8 | C9 | C6 | N2 | 179.9° | 180.0° |
| C9 | C8 | C7 | H7 | 179.6° | 179.8° |
| C7 | C8 | C9 | C6 | 0.7° | 0.0° |
| C8 | C7 | N3 | H7 | 180.0° | 179.5° |
| C8 | C7 | N3 | C6 | 0.0° | 0.4° |
| C8 | C7 | N3 | H6 | 179.9° | 179.7° |
| C9 | C6 | N3 | C7 | 0.5° | 0.4° |
| C9 | C6 | N3 | N2 | 179.4° | 179.7° |
| C9 | C6 | N2 | C5 | 1.1° | 0.3° |
| C6 | C9 | C8 | H8 | 179.3° | 180.0° |
| C9 | C6 | N3 | H6 | 179.5° | 179.7° |
| C4 | C5 | N2 | C6 | 0.3° | 0.3° |
| C4 | C5 | N2 | H5 | 180.0° | 180.0° |
| C7 | N3 | C6 | H6 | 180.0° | 179.9° |
| C7 | N3 | C6 | N2 | 179.9° | 179.9° |
| N3 | C7 | C8 | H8 | 179.6° | 179.8° |
| N3 | C6 | N2 | C5 | 179.7° | 180.0° |
| C6 | N3 | C7 | H7 | 179.9° | 180.0° |
| C6 | N2 | C5 | H5 | 179.7° | 179.7° |
| N2 | C6 | N3 | H6 | 0.1° | 0.0° |
| N2 | C5 | C4 | H4 | 179.5° | 180.0° |
| H14 | C13 | C14 | H16 | 63.2° | 62.5° |
| H14 | C13 | C14 | H17 | 56.7° | 57.7° |
| H15 | C13 | C14 | H16 | 56.7° | 57.4° |
| H15 | C13 | C14 | H17 | 176.6° | 177.7° |
| H10 | C11 | C12 | H12 | 61.6° | 177.7° |
| H10 | C11 | C12 | H13 | 58.6° | 57.7° |
| H10 | C11 | C10 | H9 | 55.5° | 177.1° |
| H11 | C11 | C12 | H12 | 58.1° | 57.6° |
| H11 | C11 | C12 | H13 | 178.3° | 62.4° |
| H11 | C11 | C10 | H9 | 175.2° | 57.0° |
| H9 | C10 | C14 | H16 | 54.2° | 57.0° |
| H9 | C10 | C14 | H17 | 174.1° | 177.2° |
| H3 | C2 | N1 | H1 | 54.9° | 120.0° |
| H2 | C2 | N1 | H1 | 175.9° | 119.9° |
| H4 | C4 | C5 | H5 | 0.5° | 0.0° |
| H7 | C7 | C8 | H8 | 0.4° | 0.3° |
| H7 | C7 | N3 | H6 | 0.1° | 0.1° |
