A1PR5
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C10 | C11 | doub | 1.38Å | 1.41Å | Aromatic |
| C10 | C9 | sing | 1.38Å | 1.41Å | Aromatic |
| C11 | C12 | sing | 1.38Å | 1.41Å | Aromatic |
| C9 | C8 | doub | 1.38Å | 1.41Å | Aromatic |
| C12 | C7 | doub | 1.38Å | 1.41Å | Aromatic |
| C8 | C7 | sing | 1.38Å | 1.41Å | Aromatic |
| C7 | C6 | sing | 1.51Å | 1.53Å | |
| C5 | C4 | sing | 1.55Å | 1.54Å | |
| C5 | C6 | sing | 1.54Å | 1.54Å | |
| C4 | C3 | sing | 1.51Å | 1.52Å | |
| C6 | N4 | sing | 1.47Å | 1.46Å | |
| C3 | N4 | sing | 1.34Å | 1.33Å | |
| C3 | O1 | doub | 1.21Å | 1.23Å | |
| N4 | N3 | sing | 1.40Å | 1.40Å | |
| N3 | C2 | sing | 1.38Å | 1.39Å | |
| C2 | C13 | doub | 1.40Å | 1.41Å | Aromatic |
| C2 | N2 | sing | 1.33Å | 1.36Å | Aromatic |
| C14 | C13 | sing | 1.46Å | 1.44Å | Aromatic |
| C14 | C15 | doub | 1.34Å | 1.37Å | Aromatic |
| C13 | C16 | sing | 1.41Å | 1.42Å | Aromatic |
| N2 | C1 | doub | 1.33Å | 1.34Å | Aromatic |
| C15 | N5 | sing | 1.37Å | 1.39Å | Aromatic |
| C1 | N1 | sing | 1.38Å | 1.38Å | |
| C1 | N6 | sing | 1.32Å | 1.33Å | Aromatic |
| C16 | N5 | sing | 1.37Å | 1.38Å | Aromatic |
| C16 | N6 | doub | 1.33Å | 1.36Å | Aromatic |
| C15 | H15 | sing | 1.08Å | 1.08Å | |
| C11 | H12 | sing | 1.08Å | 1.08Å | |
| C12 | H13 | sing | 1.08Å | 1.08Å | |
| C10 | H11 | sing | 1.08Å | 1.08Å | |
| C14 | H14 | sing | 1.08Å | 1.08Å | |
| C4 | H5 | sing | 1.09Å | 1.10Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C5 | H7 | sing | 1.09Å | 1.10Å | |
| C5 | H6 | sing | 1.09Å | 1.10Å | |
| C6 | H8 | sing | 1.09Å | 1.10Å | |
| C8 | H9 | sing | 1.08Å | 1.08Å | |
| C9 | H10 | sing | 1.08Å | 1.08Å | |
| N1 | H2 | sing | 0.97Å | 1.00Å | |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| N3 | H3 | sing | 0.97Å | 1.00Å | |
| N5 | H16 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C11 | C10 | C9 | 119.8° | 120.0° |
| C10 | C11 | C12 | 120.1° | 120.0° |
| C10 | C11 | H12 | 119.9° | 120.0° |
| C11 | C10 | H11 | 120.1° | 120.0° |
| C10 | C9 | C8 | 120.1° | 120.0° |
| C9 | C10 | H11 | 120.1° | 120.0° |
| C10 | C9 | H10 | 120.0° | 120.0° |
| C11 | C12 | C7 | 120.4° | 120.0° |
| C12 | C11 | H12 | 120.0° | 120.0° |
| C11 | C12 | H13 | 119.8° | 120.0° |
| C9 | C8 | C7 | 120.3° | 120.0° |
| C9 | C8 | H9 | 119.8° | 119.9° |
| C8 | C9 | H10 | 119.9° | 120.0° |
| C12 | C7 | C8 | 119.2° | 120.0° |
| C12 | C7 | C6 | 122.0° | 120.0° |
| C7 | C12 | H13 | 119.8° | 120.0° |
| C8 | C7 | C6 | 118.8° | 120.0° |
| C7 | C8 | H9 | 119.8° | 120.1° |
| C7 | C6 | C5 | 114.1° | 110.2° |
| C7 | C6 | N4 | 112.7° | 110.2° |
| C7 | C6 | H8 | 108.7° | 110.3° |
| C4 | C5 | C6 | 106.4° | 101.8° |
| C5 | C4 | C3 | 103.1° | 104.2° |
| C5 | C4 | H5 | 111.0° | 110.5° |
| C5 | C4 | H4 | 111.0° | 110.6° |
| C4 | C5 | H7 | 110.2° | 110.9° |
| C4 | C5 | H6 | 110.2° | 111.0° |
| C5 | C6 | N4 | 102.8° | 105.5° |
| C6 | C5 | H7 | 110.2° | 111.0° |
| C6 | C5 | H6 | 110.2° | 111.0° |
| C5 | C6 | H8 | 108.6° | 110.2° |
| C4 | C3 | N4 | 109.8° | 110.1° |
| C4 | C3 | O1 | 123.6° | 124.9° |
| C3 | C4 | H5 | 111.0° | 110.5° |
| C3 | C4 | H4 | 111.0° | 110.5° |
| C6 | N4 | C3 | 115.0° | 111.3° |
| C6 | N4 | N3 | 121.4° | 124.3° |
| N4 | C6 | H8 | 109.7° | 110.2° |
| N4 | C3 | O1 | 126.6° | 125.0° |
| C3 | N4 | N3 | 123.6° | 124.3° |
| N4 | N3 | C2 | 123.5° | 120.0° |
| N4 | N3 | H3 | 105.9° | 120.1° |
| N3 | C2 | C13 | 121.5° | 120.8° |
| N3 | C2 | N2 | 118.9° | 120.8° |
| C2 | N3 | H3 | 105.8° | 120.0° |
| C13 | C2 | N2 | 119.6° | 118.4° |
| C2 | C13 | C14 | 136.7° | 135.0° |
| C2 | C13 | C16 | 115.1° | 118.8° |
| C2 | N2 | C1 | 118.9° | 121.0° |
| C13 | C14 | C15 | 106.5° | 106.8° |
| C14 | C13 | C16 | 108.2° | 106.3° |
| C13 | C14 | H14 | 126.8° | 126.6° |
| C14 | C15 | N5 | 109.1° | 109.8° |
| C14 | C15 | H15 | 125.5° | 125.1° |
| C15 | C14 | H14 | 126.8° | 126.6° |
| C13 | C16 | N5 | 106.1° | 107.1° |
| C13 | C16 | N6 | 125.9° | 118.6° |
| N2 | C1 | N1 | 116.3° | 118.7° |
| N2 | C1 | N6 | 128.1° | 122.5° |
| C15 | N5 | C16 | 110.2° | 110.0° |
| N5 | C15 | H15 | 125.5° | 125.1° |
| C15 | N5 | H16 | 124.9° | 125.0° |
| N1 | C1 | N6 | 115.6° | 118.7° |
| C1 | N1 | H2 | 109.5° | 120.0° |
| C1 | N1 | H1 | 109.5° | 120.0° |
| C1 | N6 | C16 | 112.4° | 120.6° |
| N5 | C16 | N6 | 128.0° | 134.2° |
| C16 | N5 | H16 | 124.9° | 125.0° |
| H5 | C4 | H4 | 109.5° | 110.4° |
| H7 | C5 | H6 | 109.5° | 110.9° |
| H2 | N1 | H1 | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C11 | C10 | C9 | H11 | 180.0° | 180.0° |
| C10 | C11 | C12 | H12 | 180.0° | 179.7° |
| C11 | C10 | C9 | C8 | 0.1° | 0.6° |
| C10 | C11 | C12 | C7 | 0.4° | 0.3° |
| C10 | C11 | C12 | H13 | 179.6° | 179.8° |
| C11 | C10 | C9 | H10 | 179.8° | 180.0° |
| C9 | C10 | C11 | C12 | 0.1° | 0.0° |
| C10 | C9 | C8 | H10 | 180.0° | 179.5° |
| C10 | C9 | C8 | C7 | 0.5° | 0.8° |
| C9 | C10 | C11 | H12 | 180.0° | 179.7° |
| C10 | C9 | C8 | H9 | 179.5° | 179.7° |
| C11 | C12 | C7 | H13 | 180.0° | 179.9° |
| C11 | C12 | C7 | C8 | 0.7° | 0.1° |
| C11 | C12 | C7 | C6 | 179.4° | 180.0° |
| C12 | C11 | C10 | H11 | 179.9° | 179.9° |
| C9 | C8 | C7 | C12 | 0.8° | 0.5° |
| C9 | C8 | C7 | H9 | 180.0° | 179.5° |
| C9 | C8 | C7 | C6 | 179.5° | 179.4° |
| C8 | C9 | C10 | H11 | 179.8° | 179.5° |
| C12 | C7 | C8 | C6 | 178.7° | 179.9° |
| C12 | C7 | C6 | C5 | 84.0° | 100.0° |
| C12 | C7 | C6 | N4 | 32.8° | 143.9° |
| C7 | C12 | C11 | H12 | 179.7° | 180.0° |
| C12 | C7 | C6 | H8 | 154.6° | 21.9° |
| C12 | C7 | C8 | H9 | 179.2° | 180.0° |
| C8 | C7 | C6 | C5 | 97.3° | 80.0° |
| C8 | C7 | C6 | N4 | 145.9° | 36.0° |
| C8 | C7 | C12 | H13 | 179.3° | 180.0° |
| C8 | C7 | C6 | H8 | 24.1° | 158.0° |
| C7 | C8 | C9 | H10 | 179.5° | 179.7° |
| C7 | C6 | C5 | C4 | 138.5° | 144.4° |
| C7 | C6 | C5 | N4 | 122.4° | 119.0° |
| C7 | C6 | C5 | H8 | 121.4° | 122.0° |
| C7 | C6 | N4 | H8 | 121.3° | 122.1° |
| C7 | C6 | N4 | C3 | 133.9° | 136.0° |
| C7 | C6 | N4 | N3 | 46.7° | 43.7° |
| C6 | C7 | C12 | H13 | 0.6° | 0.1° |
| C7 | C6 | C5 | H7 | 102.0° | 97.5° |
| C7 | C6 | C5 | H6 | 18.9° | 26.3° |
| C6 | C7 | C8 | H9 | 0.5° | 0.0° |
| C4 | C5 | C6 | H7 | 119.5° | 118.1° |
| C4 | C5 | C6 | H6 | 119.5° | 118.1° |
| C5 | C4 | C3 | H5 | 119.0° | 118.7° |
| C5 | C4 | C3 | H4 | 119.0° | 118.8° |
| C4 | C5 | C6 | N4 | 16.1° | 25.4° |
| C5 | C4 | C3 | N4 | 10.0° | 16.2° |
| C5 | C4 | C3 | O1 | 170.0° | 163.5° |
| C5 | C4 | H5 | H4 | 122.9° | 122.7° |
| C4 | C5 | H7 | H6 | 121.4° | 123.7° |
| C4 | C5 | C6 | H8 | 100.1° | 93.6° |
| C6 | C5 | C4 | C3 | 15.9° | 24.8° |
| C5 | C6 | N4 | H8 | 115.4° | 119.0° |
| C5 | C6 | N4 | C3 | 10.6° | 17.0° |
| C5 | C6 | N4 | N3 | 170.1° | 162.7° |
| C6 | C5 | C4 | H5 | 134.8° | 93.9° |
| C6 | C5 | C4 | H4 | 103.1° | 143.5° |
| C6 | C5 | H7 | H6 | 121.4° | 123.9° |
| C4 | C3 | N4 | C6 | 0.5° | 0.4° |
| C4 | C3 | N4 | O1 | 179.9° | 179.7° |
| C4 | C3 | N4 | N3 | 179.8° | 179.3° |
| C3 | C4 | H5 | H4 | 122.9° | 122.5° |
| C3 | C4 | C5 | H7 | 135.4° | 142.9° |
| C3 | C4 | C5 | H6 | 103.7° | 93.4° |
| C6 | N4 | C3 | N3 | 179.3° | 179.7° |
| C6 | N4 | C3 | O1 | 179.6° | 179.9° |
| C6 | N4 | N3 | C2 | 101.4° | 105.3° |
| N4 | C6 | C5 | H7 | 135.6° | 143.5° |
| N4 | C6 | C5 | H6 | 103.5° | 92.7° |
| C6 | N4 | N3 | H3 | 20.5° | 74.7° |
| C3 | N4 | N3 | C2 | 77.9° | 75.0° |
| N4 | C3 | C4 | H5 | 129.0° | 102.5° |
| N4 | C3 | C4 | H4 | 109.0° | 135.0° |
| C3 | N4 | C6 | H8 | 104.8° | 101.9° |
| C3 | N4 | N3 | H3 | 160.2° | 105.0° |
| O1 | C3 | N4 | N3 | 0.3° | 0.4° |
| O1 | C3 | C4 | H5 | 51.0° | 77.8° |
| O1 | C3 | C4 | H4 | 71.1° | 44.7° |
| N4 | N3 | C2 | H3 | 121.9° | 180.0° |
| N4 | N3 | C2 | C13 | 179.0° | 180.0° |
| N4 | N3 | C2 | N2 | 0.9° | 0.0° |
| N3 | N4 | C6 | H8 | 74.6° | 78.3° |
| N3 | C2 | C13 | N2 | 179.9° | 180.0° |
| N3 | C2 | C13 | C14 | 0.1° | 0.3° |
| N3 | C2 | C13 | C16 | 179.8° | 180.0° |
| N3 | C2 | N2 | C1 | 179.8° | 180.0° |
| C2 | C13 | C14 | C16 | 180.0° | 179.7° |
| C2 | C13 | C14 | C15 | 179.8° | 179.7° |
| C13 | C2 | N2 | C1 | 0.1° | 0.1° |
| C2 | C13 | C16 | N5 | 179.8° | 179.8° |
| C2 | C13 | C16 | N6 | 0.0° | 0.3° |
| C2 | C13 | C14 | H14 | 0.2° | 0.3° |
| C13 | C2 | N3 | H3 | 59.1° | 0.0° |
| N2 | C2 | C13 | C14 | 179.9° | 179.7° |
| N2 | C2 | C13 | C16 | 0.1° | 0.1° |
| C2 | N2 | C1 | N1 | 179.7° | 179.8° |
| C2 | N2 | C1 | N6 | 0.1° | 0.3° |
| N2 | C2 | N3 | H3 | 121.0° | 180.0° |
| C13 | C14 | C15 | H14 | 180.0° | 180.0° |
| C13 | C14 | C15 | N5 | 0.2° | 0.0° |
| C14 | C13 | C16 | N5 | 0.2° | 0.0° |
| C14 | C13 | C16 | N6 | 179.9° | 180.0° |
| C13 | C14 | C15 | H15 | 179.8° | 180.0° |
| C15 | C14 | C13 | C16 | 0.3° | 0.0° |
| C14 | C15 | N5 | H15 | 180.0° | 180.0° |
| C14 | C15 | N5 | C16 | 0.0° | 0.0° |
| C14 | C15 | N5 | H16 | 179.9° | 180.0° |
| C13 | C16 | N5 | C15 | 0.1° | 0.0° |
| C13 | C16 | N6 | C1 | 0.2° | 0.5° |
| C13 | C16 | N5 | N6 | 179.8° | 179.9° |
| C16 | C13 | C14 | H14 | 179.8° | 179.9° |
| C13 | C16 | N5 | H16 | 179.9° | 180.0° |
| N2 | C1 | N1 | N6 | 179.7° | 179.5° |
| N2 | C1 | N6 | C16 | 0.2° | 0.5° |
| N2 | C1 | N1 | H2 | 0.0° | 179.5° |
| N2 | C1 | N1 | H1 | 120.0° | 0.5° |
| C15 | N5 | C16 | H16 | 180.0° | 180.0° |
| C15 | N5 | C16 | N6 | 179.9° | 180.0° |
| N5 | C15 | C14 | H14 | 179.8° | 179.9° |
| N1 | C1 | N6 | C16 | 179.8° | 180.0° |
| C1 | N1 | H2 | H1 | 120.0° | 180.0° |
| C1 | N6 | C16 | N5 | 179.6° | 179.6° |
| N6 | C1 | N1 | H2 | 179.7° | 0.0° |
| N6 | C1 | N1 | H1 | 60.3° | 180.0° |
| C16 | N5 | C15 | H15 | 180.0° | 180.0° |
| N6 | C16 | N5 | H16 | 0.1° | 0.0° |
| H15 | C15 | C14 | H14 | 0.2° | 0.0° |
| H15 | C15 | N5 | H16 | 0.1° | 0.1° |
| H12 | C11 | C12 | H13 | 0.3° | 0.1° |
| H12 | C11 | C10 | H11 | 0.1° | 0.3° |
| H11 | C10 | C9 | H10 | 0.2° | 0.0° |
| H5 | C4 | C5 | H7 | 105.7° | 24.3° |
| H5 | C4 | C5 | H6 | 15.3° | 148.0° |
| H4 | C4 | C5 | H7 | 16.4° | 98.4° |
| H4 | C4 | C5 | H6 | 137.3° | 25.3° |
| H7 | C5 | C6 | H8 | 19.4° | 24.5° |
| H6 | C5 | C6 | H8 | 140.4° | 148.3° |
| H9 | C8 | C9 | H10 | 0.5° | 0.3° |
