A1PR7
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C2 | N5 | sing | 1.47Å | 1.48Å | |
| N5 | C3 | sing | 1.47Å | 1.49Å | |
| N5 | C1 | sing | 1.47Å | 1.48Å | |
| C5 | C4 | sing | 1.53Å | 1.54Å | |
| C3 | C4 | sing | 1.53Å | 1.55Å | |
| C4 | C6 | sing | 1.53Å | 1.55Å | |
| C4 | O1 | sing | 1.43Å | 1.42Å | |
| C6 | N1 | sing | 1.46Å | 1.46Å | |
| N1 | C7 | sing | 1.38Å | 1.40Å | |
| C7 | C12 | doub | 1.40Å | 1.42Å | Aromatic |
| C7 | N2 | sing | 1.33Å | 1.36Å | Aromatic |
| C11 | C12 | sing | 1.46Å | 1.44Å | Aromatic |
| C11 | C10 | doub | 1.34Å | 1.37Å | Aromatic |
| C12 | C9 | sing | 1.41Å | 1.42Å | Aromatic |
| N2 | C8 | doub | 1.32Å | 1.34Å | Aromatic |
| C10 | N4 | sing | 1.37Å | 1.39Å | Aromatic |
| C8 | N3 | sing | 1.32Å | 1.33Å | Aromatic |
| C9 | N4 | sing | 1.37Å | 1.38Å | Aromatic |
| C9 | N3 | doub | 1.33Å | 1.36Å | Aromatic |
| C11 | H19 | sing | 1.08Å | 1.08Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C10 | H18 | sing | 1.08Å | 1.08Å | |
| C2 | H6 | sing | 1.09Å | 1.10Å | |
| C2 | H4 | sing | 1.09Å | 1.10Å | |
| C2 | H5 | sing | 1.09Å | 1.10Å | |
| C3 | H8 | sing | 1.09Å | 1.10Å | |
| C3 | H7 | sing | 1.09Å | 1.10Å | |
| C5 | H10 | sing | 1.09Å | 1.10Å | |
| C5 | H9 | sing | 1.09Å | 1.10Å | |
| C5 | H11 | sing | 1.09Å | 1.10Å | |
| C6 | H14 | sing | 1.09Å | 1.10Å | |
| C6 | H13 | sing | 1.09Å | 1.10Å | |
| C8 | H16 | sing | 1.08Å | 1.08Å | |
| N1 | H15 | sing | 0.97Å | 1.00Å | |
| N4 | H17 | sing | 0.97Å | 1.00Å | |
| O1 | H12 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | N5 | C3 | 111.6° | 111.0° |
| C2 | N5 | C1 | 110.6° | 111.0° |
| N5 | C2 | H6 | 109.5° | 109.5° |
| N5 | C2 | H4 | 109.5° | 109.4° |
| N5 | C2 | H5 | 109.4° | 109.5° |
| C3 | N5 | C1 | 113.5° | 111.0° |
| N5 | C3 | C4 | 115.1° | 109.4° |
| N5 | C3 | H8 | 108.1° | 109.5° |
| N5 | C3 | H7 | 108.1° | 109.4° |
| N5 | C1 | H2 | 109.5° | 109.5° |
| N5 | C1 | H3 | 109.5° | 109.5° |
| N5 | C1 | H1 | 109.5° | 109.5° |
| C5 | C4 | C3 | 112.3° | 109.5° |
| C5 | C4 | C6 | 108.0° | 109.5° |
| C5 | C4 | O1 | 107.1° | 109.5° |
| C4 | C5 | H10 | 109.5° | 109.5° |
| C4 | C5 | H9 | 109.5° | 109.5° |
| C4 | C5 | H11 | 109.5° | 109.5° |
| C3 | C4 | C6 | 110.6° | 109.5° |
| C3 | C4 | O1 | 110.5° | 109.4° |
| C4 | C3 | H8 | 108.1° | 109.5° |
| C4 | C3 | H7 | 108.0° | 109.4° |
| C6 | C4 | O1 | 108.2° | 109.5° |
| C4 | C6 | N1 | 114.4° | 109.5° |
| C4 | C6 | H14 | 108.2° | 109.5° |
| C4 | C6 | H13 | 108.2° | 109.4° |
| C4 | O1 | H12 | 109.5° | 114.1° |
| C6 | N1 | C7 | 119.8° | 120.0° |
| N1 | C6 | H14 | 108.2° | 109.5° |
| N1 | C6 | H13 | 108.3° | 109.5° |
| C6 | N1 | H15 | 106.9° | 120.0° |
| N1 | C7 | C12 | 122.3° | 120.8° |
| N1 | C7 | N2 | 118.9° | 120.8° |
| C7 | N1 | H15 | 106.8° | 120.0° |
| C12 | C7 | N2 | 118.8° | 118.4° |
| C7 | C12 | C11 | 137.4° | 135.1° |
| C7 | C12 | C9 | 115.0° | 118.6° |
| C7 | N2 | C8 | 119.4° | 121.0° |
| C12 | C11 | C10 | 106.7° | 106.8° |
| C11 | C12 | C9 | 107.6° | 106.2° |
| C12 | C11 | H19 | 126.6° | 126.6° |
| C11 | C10 | N4 | 109.1° | 109.8° |
| C10 | C11 | H19 | 126.7° | 126.6° |
| C11 | C10 | H18 | 125.4° | 125.1° |
| C12 | C9 | N4 | 106.4° | 107.2° |
| C12 | C9 | N3 | 126.7° | 118.6° |
| N2 | C8 | N3 | 128.6° | 122.8° |
| N2 | C8 | H16 | 115.7° | 118.6° |
| C10 | N4 | C9 | 110.1° | 110.0° |
| N4 | C10 | H18 | 125.4° | 125.1° |
| C10 | N4 | H17 | 124.9° | 124.9° |
| C8 | N3 | C9 | 111.5° | 120.6° |
| N3 | C8 | H16 | 115.7° | 118.6° |
| N4 | C9 | N3 | 126.9° | 134.3° |
| C9 | N4 | H17 | 125.0° | 125.1° |
| H2 | C1 | H3 | 109.5° | 109.5° |
| H2 | C1 | H1 | 109.4° | 109.4° |
| H3 | C1 | H1 | 109.5° | 109.5° |
| H6 | C2 | H4 | 109.5° | 109.4° |
| H6 | C2 | H5 | 109.5° | 109.5° |
| H4 | C2 | H5 | 109.5° | 109.5° |
| H8 | C3 | H7 | 109.5° | 109.5° |
| H10 | C5 | H9 | 109.4° | 109.5° |
| H10 | C5 | H11 | 109.5° | 109.4° |
| H9 | C5 | H11 | 109.5° | 109.5° |
| H14 | C6 | H13 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | N5 | C3 | C1 | 125.8° | 123.9° |
| C2 | N5 | C3 | C4 | 169.5° | 164.3° |
| C2 | N5 | C1 | H2 | 180.0° | 52.0° |
| C2 | N5 | C1 | H3 | 60.0° | 172.1° |
| C2 | N5 | C1 | H1 | 60.0° | 67.9° |
| N5 | C2 | H6 | H4 | 120.0° | 119.9° |
| N5 | C2 | H6 | H5 | 120.0° | 120.1° |
| N5 | C2 | H4 | H5 | 120.0° | 120.0° |
| C2 | N5 | C3 | H8 | 48.7° | 75.6° |
| C2 | N5 | C3 | H7 | 69.7° | 44.4° |
| N5 | C3 | C4 | C5 | 39.2° | 54.0° |
| N5 | C3 | C4 | H8 | 120.8° | 120.0° |
| N5 | C3 | C4 | H7 | 120.8° | 119.9° |
| N5 | C3 | C4 | C6 | 160.0° | 174.0° |
| N5 | C3 | C4 | O1 | 80.2° | 66.1° |
| C3 | N5 | C1 | H2 | 53.7° | 175.9° |
| C3 | N5 | C1 | H3 | 66.3° | 64.0° |
| C3 | N5 | C1 | H1 | 173.7° | 56.0° |
| C3 | N5 | C2 | H6 | 180.0° | 60.1° |
| C3 | N5 | C2 | H4 | 60.0° | 180.0° |
| C3 | N5 | C2 | H5 | 60.0° | 60.0° |
| N5 | C3 | H8 | H7 | 117.5° | 120.0° |
| C1 | N5 | C3 | C4 | 64.7° | 71.7° |
| N5 | C1 | H2 | H3 | 120.0° | 120.1° |
| N5 | C1 | H2 | H1 | 120.0° | 120.0° |
| N5 | C1 | H3 | H1 | 120.0° | 120.0° |
| C1 | N5 | C2 | H6 | 52.6° | 176.0° |
| C1 | N5 | C2 | H4 | 67.4° | 56.1° |
| C1 | N5 | C2 | H5 | 172.6° | 63.9° |
| C1 | N5 | C3 | H8 | 174.4° | 48.3° |
| C1 | N5 | C3 | H7 | 56.1° | 168.4° |
| C5 | C4 | C3 | C6 | 120.8° | 120.0° |
| C5 | C4 | C3 | O1 | 119.4° | 120.0° |
| C5 | C4 | C6 | O1 | 115.6° | 120.0° |
| C5 | C4 | C6 | N1 | 170.0° | 55.0° |
| C5 | C4 | C3 | H8 | 81.6° | 174.0° |
| C5 | C4 | C3 | H7 | 160.0° | 66.0° |
| C4 | C5 | H10 | H9 | 120.0° | 120.0° |
| C4 | C5 | H10 | H11 | 120.0° | 120.0° |
| C4 | C5 | H9 | H11 | 120.0° | 120.0° |
| C5 | C4 | C6 | H14 | 69.3° | 65.0° |
| C5 | C4 | C6 | H13 | 49.3° | 175.0° |
| C5 | C4 | O1 | H12 | 180.0° | 180.0° |
| C3 | C4 | C6 | O1 | 121.2° | 120.0° |
| C3 | C4 | C6 | N1 | 46.8° | 175.0° |
| C4 | C3 | H8 | H7 | 117.4° | 120.0° |
| C3 | C4 | C5 | H10 | 180.0° | 60.0° |
| C3 | C4 | C5 | H9 | 60.0° | 180.0° |
| C3 | C4 | C5 | H11 | 60.0° | 60.0° |
| C3 | C4 | C6 | H14 | 167.5° | 55.0° |
| C3 | C4 | C6 | H13 | 74.0° | 65.0° |
| C3 | C4 | O1 | H12 | 57.5° | 60.0° |
| C4 | C6 | N1 | H14 | 120.7° | 120.0° |
| C4 | C6 | N1 | H13 | 120.7° | 120.0° |
| C4 | C6 | N1 | C7 | 87.0° | 180.0° |
| C6 | C4 | C3 | H8 | 39.1° | 66.0° |
| C6 | C4 | C3 | H7 | 79.2° | 54.0° |
| C6 | C4 | C5 | H10 | 57.8° | 60.0° |
| C6 | C4 | C5 | H9 | 177.7° | 60.0° |
| C6 | C4 | C5 | H11 | 62.3° | 180.0° |
| C4 | C6 | H14 | H13 | 117.7° | 119.9° |
| C4 | C6 | N1 | H15 | 151.6° | 0.0° |
| C6 | C4 | O1 | H12 | 63.8° | 60.0° |
| O1 | C4 | C6 | N1 | 74.4° | 65.0° |
| O1 | C4 | C3 | H8 | 159.0° | 54.0° |
| O1 | C4 | C3 | H7 | 40.6° | 174.0° |
| O1 | C4 | C5 | H10 | 58.5° | 180.0° |
| O1 | C4 | C5 | H9 | 61.4° | 60.0° |
| O1 | C4 | C5 | H11 | 178.6° | 60.0° |
| O1 | C4 | C6 | H14 | 46.3° | 175.0° |
| O1 | C4 | C6 | H13 | 164.8° | 55.0° |
| C6 | N1 | C7 | H15 | 121.5° | 180.0° |
| C6 | N1 | C7 | C12 | 167.1° | 180.0° |
| C6 | N1 | C7 | N2 | 12.5° | 0.1° |
| N1 | C6 | H14 | H13 | 117.8° | 120.0° |
| N1 | C7 | C12 | N2 | 179.6° | 180.0° |
| N1 | C7 | C12 | C11 | 0.0° | 0.0° |
| N1 | C7 | C12 | C9 | 179.7° | 180.0° |
| N1 | C7 | N2 | C8 | 179.7° | 180.0° |
| C7 | N1 | C6 | H14 | 33.8° | 60.0° |
| C7 | N1 | C6 | H13 | 152.3° | 60.0° |
| C7 | C12 | C11 | C9 | 179.7° | 179.9° |
| C7 | C12 | C11 | C10 | 179.8° | 179.9° |
| C12 | C7 | N2 | C8 | 0.1° | 0.0° |
| C7 | C12 | C9 | N4 | 179.6° | 180.0° |
| C7 | C12 | C9 | N3 | 0.2° | 0.0° |
| C7 | C12 | C11 | H19 | 0.2° | 0.2° |
| C12 | C7 | N1 | H15 | 45.6° | 0.0° |
| N2 | C7 | C12 | C11 | 179.6° | 179.9° |
| N2 | C7 | C12 | C9 | 0.1° | 0.0° |
| C7 | N2 | C8 | N3 | 0.3° | 0.0° |
| C7 | N2 | C8 | H16 | 179.8° | 180.0° |
| N2 | C7 | N1 | H15 | 134.0° | 180.0° |
| C12 | C11 | C10 | H19 | 180.0° | 179.7° |
| C12 | C11 | C10 | N4 | 1.0° | 0.0° |
| C11 | C12 | C9 | N4 | 0.2° | 0.0° |
| C11 | C12 | C9 | N3 | 180.0° | 180.0° |
| C12 | C11 | C10 | H18 | 179.1° | 180.0° |
| C10 | C11 | C12 | C9 | 0.5° | 0.0° |
| C11 | C10 | N4 | H18 | 180.0° | 180.0° |
| C11 | C10 | N4 | C9 | 1.1° | 0.0° |
| C11 | C10 | N4 | H17 | 178.9° | 180.0° |
| C12 | C9 | N4 | C10 | 0.8° | 0.0° |
| C12 | C9 | N3 | C8 | 0.5° | 0.0° |
| C12 | C9 | N4 | N3 | 179.8° | 179.9° |
| C9 | C12 | C11 | H19 | 179.5° | 179.7° |
| C12 | C9 | N4 | H17 | 179.2° | 180.0° |
| N2 | C8 | N3 | H16 | 180.0° | 180.0° |
| N2 | C8 | N3 | C9 | 0.5° | 0.0° |
| C10 | N4 | C9 | H17 | 180.0° | 180.0° |
| C10 | N4 | C9 | N3 | 179.4° | 179.9° |
| N4 | C10 | C11 | H19 | 179.0° | 179.7° |
| C8 | N3 | C9 | N4 | 179.3° | 180.0° |
| C9 | N4 | C10 | H18 | 178.9° | 180.0° |
| C9 | N3 | C8 | H16 | 179.5° | 180.0° |
| N3 | C9 | N4 | H17 | 0.6° | 0.1° |
| H19 | C11 | C10 | H18 | 1.0° | 0.2° |
| H2 | C1 | H3 | H1 | 120.0° | 120.0° |
| H18 | C10 | N4 | H17 | 1.1° | 0.0° |
| H6 | C2 | H4 | H5 | 120.0° | 120.0° |
| H10 | C5 | H9 | H11 | 120.0° | 120.0° |
| H14 | C6 | N1 | H15 | 87.7° | 120.0° |
| H13 | C6 | N1 | H15 | 30.9° | 120.0° |
