A1PR4
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C3 | C2 | sing | 1.54Å | 1.54Å | |
| C3 | C4 | sing | 1.55Å | 1.54Å | |
| C2 | C1 | sing | 1.53Å | 1.54Å | |
| C2 | N1 | sing | 1.47Å | 1.46Å | |
| C4 | C5 | sing | 1.51Å | 1.52Å | |
| N1 | C5 | sing | 1.34Å | 1.33Å | |
| N1 | N2 | sing | 1.40Å | 1.40Å | |
| C5 | O1 | doub | 1.21Å | 1.23Å | |
| N2 | C6 | sing | 1.38Å | 1.40Å | |
| C6 | C11 | doub | 1.40Å | 1.42Å | Aromatic |
| C6 | N3 | sing | 1.33Å | 1.36Å | Aromatic |
| C10 | C11 | sing | 1.46Å | 1.44Å | Aromatic |
| C10 | C9 | doub | 1.34Å | 1.37Å | Aromatic |
| C11 | C8 | sing | 1.41Å | 1.42Å | Aromatic |
| N3 | C7 | doub | 1.32Å | 1.34Å | Aromatic |
| C9 | N5 | sing | 1.37Å | 1.38Å | Aromatic |
| C8 | N5 | sing | 1.37Å | 1.38Å | Aromatic |
| C8 | N4 | doub | 1.33Å | 1.36Å | Aromatic |
| C7 | N4 | sing | 1.32Å | 1.34Å | Aromatic |
| C7 | CL1 | sing | 1.74Å | 1.72Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C10 | H12 | sing | 1.08Å | 1.08Å | |
| C2 | H4 | sing | 1.09Å | 1.10Å | |
| C3 | H5 | sing | 1.09Å | 1.10Å | |
| C3 | H6 | sing | 1.09Å | 1.10Å | |
| C4 | H7 | sing | 1.09Å | 1.10Å | |
| C4 | H8 | sing | 1.09Å | 1.10Å | |
| C9 | H11 | sing | 1.08Å | 1.08Å | |
| N2 | H9 | sing | 0.97Å | 1.00Å | |
| N5 | H10 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C3 | C4 | 106.3° | 101.8° |
| C3 | C2 | C1 | 112.9° | 110.3° |
| C3 | C2 | N1 | 103.8° | 105.5° |
| C3 | C2 | H4 | 108.5° | 110.3° |
| C2 | C3 | H5 | 110.3° | 111.0° |
| C2 | C3 | H6 | 110.3° | 111.0° |
| C3 | C4 | C5 | 103.9° | 104.2° |
| C4 | C3 | H5 | 110.3° | 111.0° |
| C4 | C3 | H6 | 110.3° | 110.9° |
| C3 | C4 | H7 | 110.9° | 110.4° |
| C3 | C4 | H8 | 110.9° | 110.5° |
| C1 | C2 | N1 | 113.2° | 110.2° |
| C2 | C1 | H1 | 109.5° | 109.4° |
| C2 | C1 | H3 | 109.5° | 109.4° |
| C2 | C1 | H2 | 109.5° | 109.5° |
| C1 | C2 | H4 | 108.6° | 110.2° |
| C2 | N1 | C5 | 114.7° | 111.3° |
| C2 | N1 | N2 | 121.3° | 124.4° |
| N1 | C2 | H4 | 109.7° | 110.2° |
| C4 | C5 | N1 | 109.9° | 110.1° |
| C4 | C5 | O1 | 123.4° | 124.9° |
| C5 | C4 | H7 | 110.8° | 110.5° |
| C5 | C4 | H8 | 110.8° | 110.5° |
| C5 | N1 | N2 | 124.0° | 124.4° |
| N1 | C5 | O1 | 126.8° | 124.9° |
| N1 | N2 | C6 | 123.1° | 119.9° |
| N1 | N2 | H9 | 106.0° | 120.0° |
| N2 | C6 | C11 | 121.8° | 120.8° |
| N2 | C6 | N3 | 119.5° | 120.9° |
| C6 | N2 | H9 | 106.0° | 120.0° |
| C11 | C6 | N3 | 118.6° | 118.3° |
| C6 | C11 | C10 | 137.0° | 135.1° |
| C6 | C11 | C8 | 115.2° | 118.7° |
| C6 | N3 | C7 | 120.1° | 121.1° |
| C11 | C10 | C9 | 106.6° | 106.8° |
| C10 | C11 | C8 | 107.8° | 106.2° |
| C11 | C10 | H12 | 126.7° | 126.6° |
| C10 | C9 | N5 | 109.1° | 109.8° |
| C9 | C10 | H12 | 126.7° | 126.6° |
| C10 | C9 | H11 | 125.5° | 125.0° |
| C11 | C8 | N5 | 106.2° | 107.2° |
| C11 | C8 | N4 | 126.4° | 118.6° |
| N3 | C7 | N4 | 127.5° | 122.6° |
| N3 | C7 | CL1 | 116.6° | 118.7° |
| C9 | N5 | C8 | 110.3° | 110.0° |
| N5 | C9 | H11 | 125.5° | 125.2° |
| C9 | N5 | H10 | 124.9° | 124.9° |
| N5 | C8 | N4 | 127.4° | 134.3° |
| C8 | N5 | H10 | 124.8° | 125.0° |
| C8 | N4 | C7 | 112.2° | 120.7° |
| N4 | C7 | CL1 | 115.9° | 118.7° |
| H1 | C1 | H3 | 109.5° | 109.4° |
| H1 | C1 | H2 | 109.5° | 109.5° |
| H3 | C1 | H2 | 109.4° | 109.5° |
| H5 | C3 | H6 | 109.4° | 110.8° |
| H7 | C4 | H8 | 109.5° | 110.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C3 | C4 | H5 | 119.5° | 118.2° |
| C2 | C3 | C4 | H6 | 119.5° | 118.1° |
| C3 | C2 | C1 | N1 | 117.5° | 116.1° |
| C3 | C2 | C1 | H4 | 120.4° | 122.0° |
| C3 | C2 | N1 | H4 | 115.8° | 119.0° |
| C2 | C3 | C4 | C5 | 11.1° | 24.8° |
| C3 | C2 | N1 | C5 | 7.2° | 16.9° |
| C3 | C2 | N1 | N2 | 173.1° | 162.9° |
| C3 | C2 | C1 | H1 | 180.0° | 57.5° |
| C3 | C2 | C1 | H3 | 60.0° | 62.4° |
| C3 | C2 | C1 | H2 | 60.0° | 177.5° |
| C2 | C3 | H5 | H6 | 121.4° | 123.8° |
| C2 | C3 | C4 | H7 | 108.0° | 93.9° |
| C2 | C3 | C4 | H8 | 130.2° | 143.5° |
| C4 | C3 | C2 | C1 | 134.1° | 144.4° |
| C4 | C3 | C2 | N1 | 11.1° | 25.4° |
| C3 | C4 | C5 | H7 | 119.1° | 118.6° |
| C3 | C4 | C5 | H8 | 119.1° | 118.7° |
| C3 | C4 | C5 | N1 | 7.1° | 16.2° |
| C3 | C4 | C5 | O1 | 172.9° | 163.8° |
| C4 | C3 | C2 | H4 | 105.5° | 93.6° |
| C4 | C3 | H5 | H6 | 121.4° | 123.8° |
| C3 | C4 | H7 | H8 | 122.6° | 122.6° |
| C1 | C2 | N1 | H4 | 121.4° | 121.9° |
| C1 | C2 | N1 | C5 | 130.0° | 136.0° |
| C1 | C2 | N1 | N2 | 50.4° | 43.9° |
| C2 | C1 | H1 | H3 | 120.0° | 119.9° |
| C2 | C1 | H1 | H2 | 120.1° | 120.0° |
| C2 | C1 | H3 | H2 | 120.0° | 120.1° |
| C1 | C2 | C3 | H5 | 106.4° | 97.4° |
| C1 | C2 | C3 | H6 | 14.5° | 26.3° |
| C2 | N1 | C5 | C4 | 0.1° | 0.4° |
| C2 | N1 | C5 | N2 | 179.6° | 179.9° |
| C2 | N1 | C5 | O1 | 179.8° | 179.5° |
| C2 | N1 | N2 | C6 | 118.4° | 105.0° |
| N1 | C2 | C1 | H1 | 62.4° | 58.6° |
| N1 | C2 | C1 | H3 | 57.5° | 178.5° |
| N1 | C2 | C1 | H2 | 177.5° | 61.4° |
| N1 | C2 | C3 | H5 | 130.7° | 143.6° |
| N1 | C2 | C3 | H6 | 108.4° | 92.7° |
| C2 | N1 | N2 | H9 | 3.5° | 74.9° |
| C4 | C5 | N1 | O1 | 179.9° | 179.9° |
| C4 | C5 | N1 | N2 | 179.7° | 179.5° |
| C5 | C4 | C3 | H5 | 130.6° | 142.9° |
| C5 | C4 | C3 | H6 | 108.4° | 93.4° |
| C5 | C4 | H7 | H8 | 122.6° | 122.7° |
| C5 | N1 | N2 | C6 | 62.0° | 75.1° |
| C5 | N1 | C2 | H4 | 108.6° | 102.1° |
| N1 | C5 | C4 | H7 | 112.0° | 102.4° |
| N1 | C5 | C4 | H8 | 126.2° | 134.9° |
| C5 | N1 | N2 | H9 | 176.1° | 104.9° |
| N2 | N1 | C5 | O1 | 0.2° | 0.6° |
| N1 | N2 | C6 | H9 | 121.9° | 180.0° |
| N1 | N2 | C6 | C11 | 170.0° | 180.0° |
| N1 | N2 | C6 | N3 | 10.0° | 0.1° |
| N2 | N1 | C2 | H4 | 71.1° | 78.0° |
| O1 | C5 | C4 | H7 | 67.9° | 77.5° |
| O1 | C5 | C4 | H8 | 53.8° | 45.2° |
| N2 | C6 | C11 | N3 | 180.0° | 179.9° |
| N2 | C6 | C11 | C10 | 0.0° | 0.2° |
| N2 | C6 | C11 | C8 | 179.9° | 180.0° |
| N2 | C6 | N3 | C7 | 179.9° | 180.0° |
| C6 | C11 | C10 | C8 | 179.9° | 179.8° |
| C6 | C11 | C10 | C9 | 179.9° | 179.7° |
| C11 | C6 | N3 | C7 | 0.1° | 0.1° |
| C6 | C11 | C8 | N5 | 179.9° | 179.8° |
| C6 | C11 | C8 | N4 | 0.0° | 0.2° |
| C6 | C11 | C10 | H12 | 0.1° | 0.2° |
| C11 | C6 | N2 | H9 | 68.2° | 0.0° |
| N3 | C6 | C11 | C10 | 180.0° | 179.7° |
| N3 | C6 | C11 | C8 | 0.1° | 0.1° |
| C6 | N3 | C7 | N4 | 0.0° | 0.2° |
| C6 | N3 | C7 | CL1 | 180.0° | 179.7° |
| N3 | C6 | N2 | H9 | 111.9° | 179.9° |
| C11 | C10 | C9 | H12 | 180.0° | 179.9° |
| C11 | C10 | C9 | N5 | 0.1° | 0.1° |
| C10 | C11 | C8 | N5 | 0.1° | 0.0° |
| C10 | C11 | C8 | N4 | 179.9° | 180.0° |
| C11 | C10 | C9 | H11 | 179.9° | 180.0° |
| C9 | C10 | C11 | C8 | 0.1° | 0.1° |
| C10 | C9 | N5 | H11 | 180.0° | 179.9° |
| C10 | C9 | N5 | C8 | 0.0° | 0.1° |
| C10 | C9 | N5 | H10 | 179.9° | 180.0° |
| C11 | C8 | N5 | C9 | 0.1° | 0.0° |
| C11 | C8 | N5 | N4 | 180.0° | 179.9° |
| C11 | C8 | N4 | C7 | 0.1° | 0.4° |
| C8 | C11 | C10 | H12 | 179.9° | 179.9° |
| C11 | C8 | N5 | H10 | 180.0° | 180.0° |
| N3 | C7 | N4 | C8 | 0.1° | 0.4° |
| N3 | C7 | N4 | CL1 | 180.0° | 179.5° |
| C9 | N5 | C8 | H10 | 180.0° | 180.0° |
| C9 | N5 | C8 | N4 | 180.0° | 179.9° |
| N5 | C9 | C10 | H12 | 179.9° | 180.0° |
| N5 | C8 | N4 | C7 | 179.9° | 179.5° |
| C8 | N5 | C9 | H11 | 180.0° | 180.0° |
| C8 | N4 | C7 | CL1 | 179.9° | 179.9° |
| N4 | C8 | N5 | H10 | 0.0° | 0.0° |
| H1 | C1 | H3 | H2 | 120.0° | 120.0° |
| H1 | C1 | C2 | H4 | 59.6° | 179.5° |
| H3 | C1 | C2 | H4 | 179.6° | 59.6° |
| H2 | C1 | C2 | H4 | 60.4° | 60.5° |
| H12 | C10 | C9 | H11 | 0.1° | 0.1° |
| H4 | C2 | C3 | H5 | 14.0° | 24.6° |
| H4 | C2 | C3 | H6 | 135.0° | 148.3° |
| H5 | C3 | C4 | H7 | 11.5° | 24.3° |
| H5 | C3 | C4 | H8 | 110.3° | 98.3° |
| H6 | C3 | C4 | H7 | 132.5° | 148.0° |
| H6 | C3 | C4 | H8 | 10.7° | 25.4° |
| H11 | C9 | N5 | H10 | 0.1° | 0.1° |






