4PF
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C9 | C8 | sing | 1.53Å | 1.52Å | |
| N1 | C8 | sing | 1.47Å | 1.46Å | |
| C8 | C7 | sing | 1.53Å | 1.53Å | |
| C7 | O3 | sing | 1.43Å | 1.44Å | |
| O3 | C6 | sing | 1.43Å | 1.44Å | |
| C6 | C4 | sing | 1.53Å | 1.54Å | |
| C5 | C4 | sing | 1.53Å | 1.53Å | |
| C4 | O2 | sing | 1.43Å | 1.44Å | |
| O2 | C3 | sing | 1.43Å | 1.44Å | |
| C3 | C2 | sing | 1.53Å | 1.53Å | |
| C2 | O1 | sing | 1.43Å | 1.44Å | |
| O1 | C1 | sing | 1.43Å | 1.43Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C2 | H4 | sing | 1.09Å | 1.10Å | |
| C2 | H5 | sing | 1.09Å | 1.10Å | |
| C3 | H6 | sing | 1.09Å | 1.10Å | |
| C3 | H7 | sing | 1.09Å | 1.10Å | |
| C4 | H8 | sing | 1.09Å | 1.10Å | |
| C5 | H9 | sing | 1.09Å | 1.10Å | |
| C5 | H10 | sing | 1.09Å | 1.10Å | |
| C5 | H11 | sing | 1.09Å | 1.10Å | |
| C6 | H12 | sing | 1.09Å | 1.10Å | |
| C6 | H13 | sing | 1.09Å | 1.10Å | |
| C7 | H14 | sing | 1.09Å | 1.10Å | |
| C7 | H15 | sing | 1.09Å | 1.10Å | |
| C8 | H16 | sing | 1.09Å | 1.10Å | |
| C9 | H17 | sing | 1.09Å | 1.10Å | |
| C9 | H18 | sing | 1.09Å | 1.10Å | |
| C9 | H19 | sing | 1.09Å | 1.10Å | |
| N1 | H20 | sing | 1.01Å | 1.00Å | |
| N1 | H21 | sing | 1.01Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C9 | C8 | N1 | 109.4° | 109.5° |
| C9 | C8 | C7 | 110.8° | 109.4° |
| C9 | C8 | H16 | 108.1° | 109.4° |
| C8 | C9 | H17 | 109.5° | 109.4° |
| C8 | C9 | H18 | 109.4° | 109.5° |
| C8 | C9 | H19 | 109.5° | 109.4° |
| N1 | C8 | C7 | 111.7° | 109.5° |
| N1 | C8 | H16 | 108.9° | 109.5° |
| C8 | N1 | H20 | 109.5° | 111.0° |
| C8 | N1 | H21 | 109.5° | 111.0° |
| C8 | C7 | O3 | 112.6° | 109.5° |
| C8 | C7 | H14 | 108.7° | 109.4° |
| C8 | C7 | H15 | 108.7° | 109.5° |
| C7 | C8 | H16 | 107.9° | 109.5° |
| C7 | O3 | C6 | 112.5° | 114.0° |
| O3 | C7 | H14 | 108.7° | 109.5° |
| O3 | C7 | H15 | 108.7° | 109.5° |
| O3 | C6 | C4 | 114.5° | 109.5° |
| O3 | C6 | H12 | 108.2° | 109.5° |
| O3 | C6 | H13 | 108.2° | 109.4° |
| C6 | C4 | C5 | 113.0° | 109.5° |
| C6 | C4 | O2 | 112.8° | 109.5° |
| C6 | C4 | H8 | 106.0° | 109.5° |
| C4 | C6 | H12 | 108.2° | 109.5° |
| C4 | C6 | H13 | 108.2° | 109.5° |
| C5 | C4 | O2 | 111.3° | 109.4° |
| C5 | C4 | H8 | 106.1° | 109.5° |
| C4 | C5 | H9 | 109.5° | 109.5° |
| C4 | C5 | H10 | 109.5° | 109.5° |
| C4 | C5 | H11 | 109.5° | 109.5° |
| C4 | O2 | C3 | 110.7° | 114.0° |
| O2 | C4 | H8 | 107.1° | 109.5° |
| O2 | C3 | C2 | 113.4° | 109.5° |
| O2 | C3 | H6 | 108.5° | 109.5° |
| O2 | C3 | H7 | 108.5° | 109.4° |
| C3 | C2 | O1 | 109.7° | 109.5° |
| C3 | C2 | H4 | 109.4° | 109.5° |
| C3 | C2 | H5 | 109.4° | 109.5° |
| C2 | C3 | H6 | 108.5° | 109.5° |
| C2 | C3 | H7 | 108.5° | 109.5° |
| C2 | O1 | C1 | 114.2° | 114.0° |
| O1 | C2 | H4 | 109.4° | 109.5° |
| O1 | C2 | H5 | 109.4° | 109.5° |
| O1 | C1 | H1 | 109.5° | 109.5° |
| O1 | C1 | H2 | 109.4° | 109.5° |
| O1 | C1 | H3 | 109.5° | 109.5° |
| H1 | C1 | H2 | 109.5° | 109.4° |
| H1 | C1 | H3 | 109.5° | 109.5° |
| H2 | C1 | H3 | 109.5° | 109.5° |
| H4 | C2 | H5 | 109.5° | 109.5° |
| H6 | C3 | H7 | 109.5° | 109.5° |
| H9 | C5 | H10 | 109.5° | 109.5° |
| H9 | C5 | H11 | 109.4° | 109.4° |
| H10 | C5 | H11 | 109.5° | 109.5° |
| H12 | C6 | H13 | 109.5° | 109.5° |
| H14 | C7 | H15 | 109.4° | 109.4° |
| H17 | C9 | H18 | 109.5° | 109.5° |
| H17 | C9 | H19 | 109.5° | 109.5° |
| H18 | C9 | H19 | 109.5° | 109.5° |
| H20 | N1 | H21 | 109.5° | 111.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C9 | C8 | N1 | C7 | 123.0° | 120.0° |
| C9 | C8 | N1 | H16 | 117.9° | 120.0° |
| C9 | C8 | C7 | H16 | 118.2° | 119.9° |
| C9 | C8 | C7 | O3 | 42.8° | 55.1° |
| C9 | C8 | C7 | H14 | 163.3° | 175.1° |
| C9 | C8 | C7 | H15 | 77.7° | 65.0° |
| C8 | C9 | H17 | H18 | 120.0° | 120.0° |
| C8 | C9 | H17 | H19 | 120.0° | 119.9° |
| C8 | C9 | H18 | H19 | 120.0° | 120.0° |
| C9 | C8 | N1 | H20 | 180.0° | 176.1° |
| C9 | C8 | N1 | H21 | 60.0° | 60.0° |
| N1 | C8 | C7 | H16 | 119.6° | 120.1° |
| N1 | C8 | C7 | O3 | 165.0° | 65.0° |
| N1 | C8 | C7 | H14 | 74.5° | 55.0° |
| N1 | C8 | C7 | H15 | 44.5° | 175.0° |
| N1 | C8 | C9 | H17 | 180.0° | 60.0° |
| N1 | C8 | C9 | H18 | 60.0° | 180.0° |
| N1 | C8 | C9 | H19 | 60.0° | 59.9° |
| C8 | N1 | H20 | H21 | 120.0° | 123.9° |
| C8 | C7 | O3 | H14 | 120.5° | 120.0° |
| C8 | C7 | O3 | H15 | 120.5° | 120.0° |
| C8 | C7 | O3 | C6 | 168.8° | 179.9° |
| C8 | C7 | H14 | H15 | 118.5° | 120.0° |
| C7 | C8 | C9 | H17 | 56.5° | 180.0° |
| C7 | C8 | C9 | H18 | 63.5° | 60.0° |
| C7 | C8 | C9 | H19 | 176.5° | 60.0° |
| C7 | C8 | N1 | H20 | 56.9° | 56.1° |
| C7 | C8 | N1 | H21 | 177.0° | 180.0° |
| C7 | O3 | C6 | C4 | 130.6° | 180.0° |
| C7 | O3 | C6 | H12 | 9.9° | 60.0° |
| C7 | O3 | C6 | H13 | 108.6° | 60.0° |
| O3 | C7 | H14 | H15 | 118.6° | 120.0° |
| O3 | C7 | C8 | H16 | 75.3° | 175.0° |
| O3 | C6 | C4 | H12 | 120.7° | 120.0° |
| O3 | C6 | C4 | H13 | 120.7° | 120.0° |
| O3 | C6 | C4 | C5 | 18.7° | 55.0° |
| O3 | C6 | C4 | O2 | 146.0° | 65.0° |
| O3 | C6 | C4 | H8 | 97.1° | 175.0° |
| O3 | C6 | H12 | H13 | 117.7° | 120.0° |
| C6 | O3 | C7 | H14 | 48.3° | 60.0° |
| C6 | O3 | C7 | H15 | 70.7° | 60.0° |
| C6 | C4 | C5 | O2 | 128.0° | 120.0° |
| C6 | C4 | C5 | H8 | 115.8° | 120.0° |
| C6 | C4 | O2 | H8 | 116.3° | 120.0° |
| C6 | C4 | O2 | C3 | 97.6° | 150.0° |
| C6 | C4 | C5 | H9 | 180.0° | 60.0° |
| C6 | C4 | C5 | H10 | 60.0° | 180.0° |
| C6 | C4 | C5 | H11 | 60.0° | 60.0° |
| C4 | C6 | H12 | H13 | 117.7° | 120.0° |
| C5 | C4 | O2 | H8 | 115.6° | 120.0° |
| C5 | C4 | O2 | C3 | 134.2° | 90.0° |
| C4 | C5 | H9 | H10 | 120.0° | 120.0° |
| C4 | C5 | H9 | H11 | 120.0° | 120.0° |
| C4 | C5 | H10 | H11 | 120.0° | 120.0° |
| C5 | C4 | C6 | H12 | 102.0° | 65.0° |
| C5 | C4 | C6 | H13 | 139.4° | 175.0° |
| C4 | O2 | C3 | C2 | 160.8° | 180.0° |
| C4 | O2 | C3 | H6 | 78.6° | 60.0° |
| C4 | O2 | C3 | H7 | 40.2° | 60.0° |
| O2 | C4 | C5 | H9 | 51.9° | 60.0° |
| O2 | C4 | C5 | H10 | 171.9° | 60.0° |
| O2 | C4 | C5 | H11 | 68.0° | 180.0° |
| O2 | C4 | C6 | H12 | 25.2° | 175.0° |
| O2 | C4 | C6 | H13 | 93.3° | 55.0° |
| O2 | C3 | C2 | H6 | 120.6° | 120.0° |
| O2 | C3 | C2 | H7 | 120.6° | 120.0° |
| O2 | C3 | C2 | O1 | 178.1° | 65.0° |
| O2 | C3 | C2 | H4 | 61.9° | 55.0° |
| O2 | C3 | C2 | H5 | 58.0° | 175.0° |
| O2 | C3 | H6 | H7 | 118.2° | 119.9° |
| C3 | O2 | C4 | H8 | 18.6° | 30.0° |
| C3 | C2 | O1 | H4 | 120.0° | 120.0° |
| C3 | C2 | O1 | H5 | 120.0° | 120.0° |
| C3 | C2 | O1 | C1 | 179.2° | 180.0° |
| C3 | C2 | H4 | H5 | 119.9° | 120.0° |
| C2 | C3 | H6 | H7 | 118.2° | 120.0° |
| C2 | O1 | C1 | H1 | 180.0° | 59.9° |
| C2 | O1 | C1 | H2 | 60.0° | 60.0° |
| C2 | O1 | C1 | H3 | 60.0° | 180.0° |
| O1 | C2 | H4 | H5 | 119.9° | 120.0° |
| O1 | C2 | C3 | H6 | 57.5° | 175.0° |
| O1 | C2 | C3 | H7 | 61.4° | 55.0° |
| O1 | C1 | H1 | H2 | 120.0° | 120.0° |
| O1 | C1 | H1 | H3 | 120.0° | 120.1° |
| O1 | C1 | H2 | H3 | 120.0° | 120.0° |
| C1 | O1 | C2 | H4 | 59.2° | 60.0° |
| C1 | O1 | C2 | H5 | 60.8° | 60.0° |
| H1 | C1 | H2 | H3 | 120.0° | 120.0° |
| H4 | C2 | C3 | H6 | 177.5° | 65.0° |
| H4 | C2 | C3 | H7 | 58.7° | 174.9° |
| H5 | C2 | C3 | H6 | 62.5° | 55.0° |
| H5 | C2 | C3 | H7 | 178.6° | 65.0° |
| H8 | C4 | C5 | H9 | 64.3° | 180.0° |
| H8 | C4 | C5 | H10 | 55.7° | 60.0° |
| H8 | C4 | C5 | H11 | 175.8° | 60.0° |
| H8 | C4 | C6 | H12 | 142.2° | 55.0° |
| H8 | C4 | C6 | H13 | 23.6° | 65.0° |
| H9 | C5 | H10 | H11 | 120.0° | 120.0° |
| H14 | C7 | C8 | H16 | 45.2° | 65.0° |
| H15 | C7 | C8 | H16 | 164.2° | 54.9° |
| H16 | C8 | C9 | H17 | 61.6° | 60.0° |
| H16 | C8 | C9 | H18 | 178.4° | 60.0° |
| H16 | C8 | C9 | H19 | 58.4° | 180.0° |
| H16 | C8 | N1 | H20 | 62.1° | 64.0° |
| H16 | C8 | N1 | H21 | 57.9° | 59.9° |
| H17 | C9 | H18 | H19 | 120.0° | 120.0° |
