A1PRN
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | O1 | sing | 1.43Å | 1.42Å | |
| O1 | C2 | sing | 1.43Å | 1.42Å | |
| C4 | C3 | sing | 1.53Å | 1.54Å | |
| C2 | C3 | sing | 1.53Å | 1.55Å | |
| C3 | C5 | sing | 1.53Å | 1.55Å | |
| C3 | O2 | sing | 1.43Å | 1.42Å | |
| C5 | N1 | sing | 1.47Å | 1.46Å | |
| N1 | C6 | sing | 1.38Å | 1.40Å | |
| C6 | C11 | doub | 1.40Å | 1.42Å | Aromatic |
| C6 | N2 | sing | 1.33Å | 1.35Å | 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 |
| N2 | C7 | doub | 1.32Å | 1.34Å | Aromatic |
| C9 | N4 | sing | 1.37Å | 1.38Å | Aromatic |
| C8 | N4 | sing | 1.37Å | 1.38Å | Aromatic |
| C8 | N3 | doub | 1.33Å | 1.36Å | Aromatic |
| C7 | N3 | sing | 1.32Å | 1.33Å | Aromatic |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C10 | H16 | sing | 1.08Å | 1.08Å | |
| C2 | H4 | sing | 1.09Å | 1.10Å | |
| C2 | H5 | sing | 1.09Å | 1.10Å | |
| C4 | H6 | sing | 1.09Å | 1.10Å | |
| C4 | H7 | sing | 1.09Å | 1.10Å | |
| C4 | H8 | sing | 1.09Å | 1.10Å | |
| C5 | H11 | sing | 1.09Å | 1.10Å | |
| C5 | H10 | sing | 1.09Å | 1.10Å | |
| C7 | H13 | sing | 1.08Å | 1.08Å | |
| C9 | H15 | sing | 1.08Å | 1.08Å | |
| N1 | H12 | sing | 0.97Å | 1.00Å | |
| N4 | H14 | sing | 0.97Å | 1.00Å | |
| O2 | H9 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | O1 | C2 | 111.1° | 114.0° |
| O1 | C1 | H1 | 109.5° | 109.5° |
| O1 | C1 | H2 | 109.5° | 109.5° |
| O1 | C1 | H3 | 109.5° | 109.5° |
| O1 | C2 | C3 | 112.2° | 109.5° |
| O1 | C2 | H4 | 108.8° | 109.5° |
| O1 | C2 | H5 | 108.8° | 109.4° |
| C4 | C3 | C2 | 111.9° | 109.5° |
| C4 | C3 | C5 | 108.1° | 109.5° |
| C4 | C3 | O2 | 107.1° | 109.4° |
| C3 | C4 | H6 | 109.5° | 109.5° |
| C3 | C4 | H7 | 109.5° | 109.4° |
| C3 | C4 | H8 | 109.5° | 109.5° |
| C2 | C3 | C5 | 113.7° | 109.5° |
| C2 | C3 | O2 | 107.2° | 109.5° |
| C3 | C2 | H4 | 108.8° | 109.5° |
| C3 | C2 | H5 | 108.8° | 109.5° |
| C5 | C3 | O2 | 108.7° | 109.5° |
| C3 | C5 | N1 | 115.6° | 109.4° |
| C3 | C5 | H11 | 107.9° | 109.5° |
| C3 | C5 | H10 | 107.9° | 109.5° |
| C3 | O2 | H9 | 109.5° | 114.0° |
| C5 | N1 | C6 | 121.2° | 120.0° |
| N1 | C5 | H11 | 107.9° | 109.4° |
| N1 | C5 | H10 | 107.9° | 109.5° |
| C5 | N1 | H12 | 106.5° | 120.0° |
| N1 | C6 | C11 | 122.7° | 120.8° |
| N1 | C6 | N2 | 118.6° | 120.8° |
| C6 | N1 | H12 | 106.4° | 120.0° |
| C11 | C6 | N2 | 118.8° | 118.4° |
| C6 | C11 | C10 | 137.3° | 135.1° |
| C6 | C11 | C8 | 115.0° | 118.6° |
| C6 | N2 | C7 | 119.7° | 121.0° |
| C11 | C10 | C9 | 106.6° | 106.8° |
| C10 | C11 | C8 | 107.8° | 106.2° |
| C11 | C10 | H16 | 126.7° | 126.6° |
| C10 | C9 | N4 | 109.2° | 109.8° |
| C9 | C10 | H16 | 126.7° | 126.5° |
| C10 | C9 | H15 | 125.4° | 125.2° |
| C11 | C8 | N4 | 106.4° | 107.2° |
| C11 | C8 | N3 | 126.6° | 118.6° |
| N2 | C7 | N3 | 128.1° | 122.7° |
| N2 | C7 | H13 | 116.0° | 118.6° |
| C9 | N4 | C8 | 110.1° | 110.0° |
| N4 | C9 | H15 | 125.4° | 125.1° |
| C9 | N4 | H14 | 124.9° | 125.0° |
| N4 | C8 | N3 | 127.0° | 134.2° |
| C8 | N4 | H14 | 125.0° | 125.0° |
| C8 | N3 | C7 | 111.8° | 120.7° |
| N3 | C7 | H13 | 116.0° | 118.6° |
| H1 | C1 | H2 | 109.4° | 109.4° |
| H1 | C1 | H3 | 109.5° | 109.5° |
| H2 | C1 | H3 | 109.5° | 109.4° |
| H4 | C2 | H5 | 109.5° | 109.5° |
| H6 | C4 | H7 | 109.5° | 109.4° |
| H6 | C4 | H8 | 109.5° | 109.5° |
| H7 | C4 | H8 | 109.4° | 109.5° |
| H11 | C5 | H10 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | O1 | C2 | C3 | 175.5° | 180.0° |
| O1 | C1 | H1 | H2 | 120.0° | 120.0° |
| O1 | C1 | H1 | H3 | 120.0° | 120.0° |
| O1 | C1 | H2 | H3 | 120.0° | 120.0° |
| C1 | O1 | C2 | H4 | 64.1° | 60.0° |
| C1 | O1 | C2 | H5 | 55.1° | 60.0° |
| O1 | C2 | C3 | C4 | 59.4° | 59.9° |
| O1 | C2 | C3 | H4 | 120.4° | 120.0° |
| O1 | C2 | C3 | H5 | 120.4° | 120.0° |
| O1 | C2 | C3 | C5 | 63.4° | 180.0° |
| O1 | C2 | C3 | O2 | 176.5° | 60.0° |
| C2 | O1 | C1 | H1 | 180.0° | 60.0° |
| C2 | O1 | C1 | H2 | 60.0° | 60.0° |
| C2 | O1 | C1 | H3 | 60.0° | 180.0° |
| O1 | C2 | H4 | H5 | 118.7° | 120.0° |
| C4 | C3 | C2 | C5 | 122.9° | 120.1° |
| C4 | C3 | C2 | O2 | 117.1° | 120.0° |
| C4 | C3 | C5 | O2 | 115.9° | 120.0° |
| C4 | C3 | C5 | N1 | 167.9° | 55.0° |
| C4 | C3 | C2 | H4 | 179.8° | 180.0° |
| C4 | C3 | C2 | H5 | 61.0° | 60.0° |
| C3 | C4 | H6 | H7 | 120.0° | 119.9° |
| C3 | C4 | H6 | H8 | 120.0° | 120.0° |
| C3 | C4 | H7 | H8 | 120.0° | 120.0° |
| C4 | C3 | C5 | H11 | 71.2° | 65.0° |
| C4 | C3 | C5 | H10 | 47.0° | 175.0° |
| C4 | C3 | O2 | H9 | 180.0° | 179.9° |
| C2 | C3 | C5 | O2 | 119.2° | 120.0° |
| C2 | C3 | C5 | N1 | 43.0° | 175.0° |
| C3 | C2 | H4 | H5 | 118.8° | 120.0° |
| C2 | C3 | C4 | H6 | 180.0° | 60.1° |
| C2 | C3 | C4 | H7 | 60.0° | 180.0° |
| C2 | C3 | C4 | H8 | 60.0° | 60.0° |
| C2 | C3 | C5 | H11 | 163.9° | 55.1° |
| C2 | C3 | C5 | H10 | 77.9° | 65.0° |
| C2 | C3 | O2 | H9 | 59.9° | 59.9° |
| C3 | C5 | N1 | H11 | 120.9° | 119.9° |
| C3 | C5 | N1 | H10 | 120.9° | 120.0° |
| C3 | C5 | N1 | C6 | 80.6° | 180.0° |
| C5 | C3 | C2 | H4 | 57.0° | 60.0° |
| C5 | C3 | C2 | H5 | 176.2° | 60.0° |
| C5 | C3 | C4 | H6 | 54.0° | 59.9° |
| C5 | C3 | C4 | H7 | 174.1° | 59.9° |
| C5 | C3 | C4 | H8 | 66.0° | 180.0° |
| C3 | C5 | H11 | H10 | 117.2° | 120.0° |
| C3 | C5 | N1 | H12 | 157.8° | 0.1° |
| C5 | C3 | O2 | H9 | 63.4° | 60.0° |
| O2 | C3 | C5 | N1 | 76.2° | 65.0° |
| O2 | C3 | C2 | H4 | 63.1° | 60.0° |
| O2 | C3 | C2 | H5 | 56.1° | 180.0° |
| O2 | C3 | C4 | H6 | 62.9° | 180.0° |
| O2 | C3 | C4 | H7 | 57.1° | 60.1° |
| O2 | C3 | C4 | H8 | 177.1° | 60.0° |
| O2 | C3 | C5 | H11 | 44.7° | 175.0° |
| O2 | C3 | C5 | H10 | 162.9° | 55.0° |
| C5 | N1 | C6 | H12 | 121.6° | 179.9° |
| C5 | N1 | C6 | C11 | 169.6° | 179.9° |
| C5 | N1 | C6 | N2 | 10.4° | 0.0° |
| N1 | C5 | H11 | H10 | 117.2° | 120.0° |
| N1 | C6 | C11 | N2 | 180.0° | 179.9° |
| N1 | C6 | C11 | C10 | 0.4° | 0.2° |
| N1 | C6 | C11 | C8 | 180.0° | 180.0° |
| N1 | C6 | N2 | C7 | 179.9° | 179.9° |
| C6 | N1 | C5 | H11 | 40.3° | 60.0° |
| C6 | N1 | C5 | H10 | 158.5° | 60.0° |
| C6 | C11 | C10 | C8 | 179.6° | 179.8° |
| C6 | C11 | C10 | C9 | 179.9° | 179.8° |
| C11 | C6 | N2 | C7 | 0.1° | 0.0° |
| C6 | C11 | C8 | N4 | 179.7° | 179.8° |
| C6 | C11 | C8 | N3 | 0.5° | 0.1° |
| C6 | C11 | C10 | H16 | 0.1° | 0.1° |
| C11 | C6 | N1 | H12 | 48.0° | 0.0° |
| N2 | C6 | C11 | C10 | 179.6° | 179.7° |
| N2 | C6 | C11 | C8 | 0.0° | 0.1° |
| C6 | N2 | C7 | N3 | 0.7° | 0.3° |
| C6 | N2 | C7 | H13 | 179.3° | 179.7° |
| N2 | C6 | N1 | H12 | 132.0° | 179.9° |
| C11 | C10 | C9 | H16 | 180.0° | 179.9° |
| C11 | C10 | C9 | N4 | 0.6° | 0.1° |
| C10 | C11 | C8 | N4 | 0.1° | 0.1° |
| C10 | C11 | C8 | N3 | 179.8° | 180.0° |
| C11 | C10 | C9 | H15 | 179.4° | 180.0° |
| C9 | C10 | C11 | C8 | 0.3° | 0.1° |
| C10 | C9 | N4 | H15 | 180.0° | 179.9° |
| C10 | C9 | N4 | C8 | 0.6° | 0.0° |
| C10 | C9 | N4 | H14 | 179.4° | 179.9° |
| C11 | C8 | N4 | C9 | 0.4° | 0.0° |
| C11 | C8 | N4 | N3 | 179.9° | 179.9° |
| C11 | C8 | N3 | C7 | 0.9° | 0.4° |
| C8 | C11 | C10 | H16 | 179.7° | 180.0° |
| C11 | C8 | N4 | H14 | 179.6° | 180.0° |
| N2 | C7 | N3 | C8 | 1.0° | 0.5° |
| N2 | C7 | N3 | H13 | 180.0° | 179.5° |
| C9 | N4 | C8 | H14 | 180.0° | 179.9° |
| C9 | N4 | C8 | N3 | 179.4° | 179.9° |
| N4 | C9 | C10 | H16 | 179.5° | 180.0° |
| N4 | C8 | N3 | C7 | 179.2° | 179.5° |
| C8 | N4 | C9 | H15 | 179.3° | 179.9° |
| C8 | N3 | C7 | H13 | 179.0° | 180.0° |
| N3 | C8 | N4 | H14 | 0.5° | 0.1° |
| H1 | C1 | H2 | H3 | 120.0° | 120.0° |
| H16 | C10 | C9 | H15 | 0.6° | 0.1° |
| H6 | C4 | H7 | H8 | 120.0° | 120.1° |
| H11 | C5 | N1 | H12 | 81.3° | 120.0° |
| H10 | C5 | N1 | H12 | 36.9° | 120.0° |
| H15 | C9 | N4 | H14 | 0.6° | 0.0° |
