4PO
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C4 | sing | 1.53Å | 1.51Å | |
| N1 | O1 | sing | 1.22Å | 1.32Å | |
| N1 | C4 | sing | 1.47Å | 1.49Å | |
| N1 | C5 | doub | 1.30Å | 1.46Å | |
| C2 | C4 | sing | 1.53Å | 1.53Å | |
| N2 | O2 | sing | 1.42Å | 1.30Å | |
| N2 | C8 | doub | 1.34Å | 1.36Å | Aromatic |
| N2 | C9 | sing | 1.34Å | 1.38Å | Aromatic |
| C3 | C4 | sing | 1.53Å | 1.53Å | |
| C5 | C6 | sing | 1.47Å | 1.37Å | |
| C6 | C7 | doub | 1.41Å | 1.40Å | Aromatic |
| C6 | C10 | sing | 1.41Å | 1.37Å | Aromatic |
| C7 | C8 | sing | 1.36Å | 1.40Å | Aromatic |
| C9 | C10 | doub | 1.36Å | 1.37Å | Aromatic |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H1A | sing | 1.09Å | 1.10Å | |
| C1 | H1B | sing | 1.09Å | 1.10Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C2 | H2A | sing | 1.09Å | 1.10Å | |
| C2 | H2B | sing | 1.09Å | 1.10Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C3 | H3A | sing | 1.09Å | 1.10Å | |
| C3 | H3B | sing | 1.09Å | 1.10Å | |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C7 | H7 | sing | 1.08Å | 1.08Å | |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| C9 | H9 | sing | 1.08Å | 1.08Å | |
| C10 | H10 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | C4 | N1 | 119.6° | 109.5° |
| C1 | C4 | C2 | 106.5° | 109.5° |
| C1 | C4 | C3 | 110.8° | 109.5° |
| C4 | C1 | H1 | 109.5° | 109.5° |
| C4 | C1 | H1A | 109.4° | 109.4° |
| C4 | C1 | H1B | 109.5° | 109.5° |
| O1 | N1 | C4 | 117.0° | 120.0° |
| O1 | N1 | C5 | 120.2° | 120.1° |
| C4 | N1 | C5 | 119.1° | 120.0° |
| N1 | C4 | C2 | 108.4° | 109.4° |
| N1 | C4 | C3 | 104.2° | 109.4° |
| N1 | C5 | C6 | 125.4° | 119.9° |
| N1 | C5 | H5 | 117.3° | 120.1° |
| C2 | C4 | C3 | 106.8° | 109.5° |
| C4 | C2 | H2 | 109.5° | 109.4° |
| C4 | C2 | H2A | 109.5° | 109.5° |
| C4 | C2 | H2B | 109.5° | 109.5° |
| O2 | N2 | C8 | 123.1° | 119.2° |
| O2 | N2 | C9 | 114.2° | 119.2° |
| C8 | N2 | C9 | 122.7° | 121.7° |
| N2 | C8 | C7 | 120.0° | 120.8° |
| N2 | C8 | H8 | 120.0° | 119.6° |
| N2 | C9 | C10 | 118.0° | 120.8° |
| N2 | C9 | H9 | 121.0° | 119.6° |
| C4 | C3 | H3 | 109.5° | 109.5° |
| C4 | C3 | H3A | 109.5° | 109.5° |
| C4 | C3 | H3B | 109.5° | 109.4° |
| C5 | C6 | C7 | 124.2° | 120.8° |
| C5 | C6 | C10 | 113.4° | 120.7° |
| C6 | C5 | H5 | 117.3° | 120.0° |
| C7 | C6 | C10 | 122.4° | 118.5° |
| C6 | C7 | C8 | 116.4° | 119.1° |
| C6 | C7 | H7 | 121.8° | 120.5° |
| C6 | C10 | C9 | 120.3° | 119.1° |
| C6 | C10 | H10 | 119.9° | 120.4° |
| C8 | C7 | H7 | 121.8° | 120.4° |
| C7 | C8 | H8 | 120.0° | 119.6° |
| C10 | C9 | H9 | 121.0° | 119.6° |
| C9 | C10 | H10 | 119.8° | 120.5° |
| H1 | C1 | H1A | 109.5° | 109.5° |
| H1 | C1 | H1B | 109.4° | 109.5° |
| H1A | C1 | H1B | 109.5° | 109.5° |
| H2 | C2 | H2A | 109.5° | 109.5° |
| H2 | C2 | H2B | 109.4° | 109.5° |
| H2A | C2 | H2B | 109.5° | 109.4° |
| H3 | C3 | H3A | 109.5° | 109.5° |
| H3 | C3 | H3B | 109.4° | 109.5° |
| H3A | C3 | H3B | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | C4 | N1 | O1 | 178.2° | 120.0° |
| C1 | C4 | N1 | C2 | 122.2° | 120.0° |
| C1 | C4 | N1 | C3 | 124.4° | 120.0° |
| C1 | C4 | N1 | C5 | 19.8° | 60.0° |
| C1 | C4 | C2 | C3 | 118.4° | 120.1° |
| C4 | C1 | H1 | H1A | 120.0° | 120.0° |
| C4 | C1 | H1 | H1B | 120.0° | 120.0° |
| C4 | C1 | H1A | H1B | 120.0° | 120.0° |
| C1 | C4 | C2 | H2 | 180.0° | 60.0° |
| C1 | C4 | C2 | H2A | 60.0° | 180.0° |
| C1 | C4 | C2 | H2B | 60.0° | 60.0° |
| C1 | C4 | C3 | H3 | 180.0° | 59.9° |
| C1 | C4 | C3 | H3A | 60.0° | 180.0° |
| C1 | C4 | C3 | H3B | 60.0° | 60.0° |
| O1 | N1 | C4 | C5 | 158.4° | 179.9° |
| O1 | N1 | C4 | C2 | 56.1° | 120.0° |
| O1 | N1 | C4 | C3 | 57.4° | 0.0° |
| O1 | N1 | C5 | C6 | 23.9° | 6.5° |
| O1 | N1 | C5 | H5 | 156.1° | 173.4° |
| N1 | C4 | C2 | C3 | 111.7° | 119.9° |
| C4 | N1 | C5 | C6 | 178.4° | 173.4° |
| N1 | C4 | C1 | H1 | 180.0° | 60.0° |
| N1 | C4 | C1 | H1A | 60.0° | 180.0° |
| N1 | C4 | C1 | H1B | 60.0° | 60.0° |
| N1 | C4 | C2 | H2 | 50.2° | 180.0° |
| N1 | C4 | C2 | H2A | 69.9° | 60.0° |
| N1 | C4 | C2 | H2B | 170.1° | 60.0° |
| N1 | C4 | C3 | H3 | 50.1° | 60.1° |
| N1 | C4 | C3 | H3A | 170.1° | 60.0° |
| N1 | C4 | C3 | H3B | 69.9° | 179.9° |
| C4 | N1 | C5 | H5 | 1.6° | 6.6° |
| C5 | N1 | C4 | C2 | 102.4° | 60.1° |
| C5 | N1 | C4 | C3 | 144.2° | 180.0° |
| N1 | C5 | C6 | H5 | 180.0° | 180.0° |
| N1 | C5 | C6 | C7 | 18.6° | 9.1° |
| N1 | C5 | C6 | C10 | 163.2° | 170.6° |
| C2 | C4 | C1 | H1 | 56.9° | 180.0° |
| C2 | C4 | C1 | H1A | 63.1° | 60.0° |
| C2 | C4 | C1 | H1B | 176.9° | 60.0° |
| C4 | C2 | H2 | H2A | 120.0° | 120.0° |
| C4 | C2 | H2 | H2B | 120.0° | 119.9° |
| C4 | C2 | H2A | H2B | 120.0° | 120.0° |
| C2 | C4 | C3 | H3 | 64.5° | 180.0° |
| C2 | C4 | C3 | H3A | 55.5° | 59.9° |
| C2 | C4 | C3 | H3B | 175.6° | 60.0° |
| O2 | N2 | C8 | C9 | 179.1° | 179.8° |
| O2 | N2 | C8 | C7 | 178.8° | 179.9° |
| O2 | N2 | C9 | C10 | 178.7° | 180.0° |
| O2 | N2 | C8 | H8 | 1.2° | 0.0° |
| O2 | N2 | C9 | H9 | 1.3° | 0.1° |
| N2 | C8 | C7 | C6 | 1.2° | 0.1° |
| N2 | C8 | C7 | H8 | 180.0° | 179.9° |
| C8 | N2 | C9 | C10 | 0.5° | 0.3° |
| N2 | C8 | C7 | H7 | 178.8° | 180.0° |
| C8 | N2 | C9 | H9 | 179.5° | 179.7° |
| N2 | C9 | C10 | C6 | 3.9° | 0.0° |
| C9 | N2 | C8 | C7 | 2.1° | 0.3° |
| N2 | C9 | C10 | H9 | 180.0° | 179.9° |
| C9 | N2 | C8 | H8 | 177.9° | 179.8° |
| N2 | C9 | C10 | H10 | 176.1° | 179.7° |
| C3 | C4 | C1 | H1 | 58.8° | 60.0° |
| C3 | C4 | C1 | H1A | 178.8° | 60.0° |
| C3 | C4 | C1 | H1B | 61.2° | 180.0° |
| C3 | C4 | C2 | H2 | 61.6° | 60.1° |
| C3 | C4 | C2 | H2A | 178.4° | 60.0° |
| C3 | C4 | C2 | H2B | 58.4° | 180.0° |
| C4 | C3 | H3 | H3A | 120.0° | 120.1° |
| C4 | C3 | H3 | H3B | 120.0° | 120.0° |
| C4 | C3 | H3A | H3B | 120.0° | 120.0° |
| C5 | C6 | C7 | C10 | 178.1° | 179.7° |
| C5 | C6 | C7 | C8 | 179.7° | 180.0° |
| C5 | C6 | C10 | C9 | 176.8° | 180.0° |
| C5 | C6 | C7 | H7 | 0.3° | 0.1° |
| C5 | C6 | C10 | H10 | 3.2° | 0.3° |
| C6 | C7 | C8 | H7 | 180.0° | 179.9° |
| C7 | C6 | C10 | C9 | 4.9° | 0.3° |
| C7 | C6 | C5 | H5 | 161.4° | 170.9° |
| C6 | C7 | C8 | H8 | 178.8° | 180.0° |
| C7 | C6 | C10 | H10 | 175.1° | 179.9° |
| C10 | C6 | C7 | C8 | 2.3° | 0.3° |
| C6 | C10 | C9 | H10 | 180.0° | 179.7° |
| C10 | C6 | C5 | H5 | 16.8° | 9.4° |
| C10 | C6 | C7 | H7 | 177.7° | 179.7° |
| C6 | C10 | C9 | H9 | 176.0° | 180.0° |
| H1 | C1 | H1A | H1B | 120.0° | 120.0° |
| H2 | C2 | H2A | H2B | 120.0° | 120.0° |
| H3 | C3 | H3A | H3B | 120.0° | 120.0° |
| H7 | C7 | C8 | H8 | 1.2° | 0.1° |
| H9 | C9 | C10 | H10 | 3.9° | 0.4° |
