P0X
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O2 | C13 | doub | 1.22Å | 1.24Å | |
| C13 | N2 | sing | 1.34Å | 1.37Å | |
| C13 | C12 | sing | 1.46Å | 1.43Å | |
| N2 | C14 | sing | 1.38Å | 1.39Å | |
| C12 | C11 | doub | 1.37Å | 1.37Å | |
| C14 | C15 | doub | 1.39Å | 1.39Å | Aromatic |
| C14 | C19 | sing | 1.41Å | 1.41Å | Aromatic |
| C15 | C16 | sing | 1.38Å | 1.39Å | Aromatic |
| C11 | C19 | sing | 1.47Å | 1.46Å | |
| C11 | C10 | sing | 1.48Å | 1.49Å | |
| C19 | C18 | doub | 1.40Å | 1.40Å | Aromatic |
| O1 | C10 | doub | 1.22Å | 1.23Å | |
| C16 | C17 | doub | 1.39Å | 1.38Å | Aromatic |
| C10 | N1 | sing | 1.35Å | 1.34Å | |
| CL | C | sing | 1.74Å | 1.74Å | |
| O | C9 | doub | 1.21Å | 1.22Å | |
| C18 | C17 | sing | 1.37Å | 1.39Å | Aromatic |
| N1 | C8 | sing | 1.47Å | 1.46Å | |
| N1 | C7 | sing | 1.47Å | 1.47Å | |
| C9 | C8 | sing | 1.50Å | 1.50Å | |
| C9 | N | sing | 1.33Å | 1.36Å | |
| C5 | C | doub | 1.38Å | 1.38Å | Aromatic |
| C5 | C4 | sing | 1.39Å | 1.39Å | Aromatic |
| C | C1 | sing | 1.39Å | 1.38Å | Aromatic |
| N | C6 | sing | 1.46Å | 1.48Å | |
| N | C4 | sing | 1.40Å | 1.42Å | |
| C6 | C7 | sing | 1.53Å | 1.53Å | |
| C4 | C3 | doub | 1.39Å | 1.39Å | Aromatic |
| C1 | C2 | doub | 1.38Å | 1.39Å | Aromatic |
| C3 | C2 | sing | 1.38Å | 1.39Å | Aromatic |
| C5 | H1 | sing | 1.08Å | 1.08Å | |
| C6 | H2 | sing | 1.09Å | 1.10Å | |
| C6 | H3 | sing | 1.09Å | 1.10Å | |
| C7 | H4 | sing | 1.09Å | 1.10Å | |
| C7 | H5 | sing | 1.09Å | 1.10Å | |
| C8 | H6 | sing | 1.09Å | 1.10Å | |
| C8 | H7 | sing | 1.09Å | 1.10Å | |
| C15 | H8 | sing | 1.08Å | 1.08Å | |
| C17 | H9 | sing | 1.08Å | 1.08Å | |
| C12 | H10 | sing | 1.08Å | 1.08Å | |
| N2 | H11 | sing | 0.97Å | 1.00Å | |
| C18 | H12 | sing | 1.08Å | 1.08Å | |
| C16 | H13 | sing | 1.08Å | 1.08Å | |
| C3 | H14 | sing | 1.08Å | 1.08Å | |
| C2 | H15 | sing | 1.08Å | 1.08Å | |
| C1 | H16 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O2 | C13 | N2 | 120.3° | 119.5° |
| O2 | C13 | C12 | 123.7° | 119.5° |
| N2 | C13 | C12 | 115.9° | 121.0° |
| C13 | N2 | C14 | 124.5° | 121.3° |
| C13 | N2 | H11 | 117.8° | 119.3° |
| C13 | C12 | C11 | 122.9° | 119.4° |
| C13 | C12 | H10 | 118.5° | 120.3° |
| N2 | C14 | C15 | 120.7° | 120.5° |
| N2 | C14 | C19 | 119.4° | 120.3° |
| C14 | N2 | H11 | 117.7° | 119.4° |
| C12 | C11 | C19 | 119.6° | 118.5° |
| C12 | C11 | C10 | 119.0° | 120.7° |
| C11 | C12 | H10 | 118.6° | 120.3° |
| C15 | C14 | C19 | 120.0° | 119.3° |
| C14 | C15 | C16 | 119.7° | 119.9° |
| C14 | C15 | H8 | 120.2° | 120.0° |
| C14 | C19 | C11 | 117.6° | 119.5° |
| C14 | C19 | C18 | 119.2° | 119.9° |
| C15 | C16 | C17 | 120.5° | 120.6° |
| C16 | C15 | H8 | 120.1° | 120.1° |
| C15 | C16 | H13 | 119.7° | 119.7° |
| C19 | C11 | C10 | 121.4° | 120.8° |
| C11 | C19 | C18 | 123.2° | 120.6° |
| C11 | C10 | O1 | 119.4° | 120.0° |
| C11 | C10 | N1 | 118.2° | 120.1° |
| C19 | C18 | C17 | 120.1° | 119.8° |
| C19 | C18 | H12 | 119.9° | 120.1° |
| O1 | C10 | N1 | 122.3° | 120.0° |
| C16 | C17 | C18 | 120.4° | 120.6° |
| C16 | C17 | H9 | 119.8° | 119.7° |
| C17 | C16 | H13 | 119.7° | 119.7° |
| C10 | N1 | C8 | 121.4° | 121.3° |
| C10 | N1 | C7 | 125.9° | 121.4° |
| CL | C | C5 | 118.7° | 120.0° |
| CL | C | C1 | 119.4° | 120.0° |
| O | C9 | C8 | 119.9° | 118.5° |
| O | C9 | N | 123.5° | 118.4° |
| C18 | C17 | H9 | 119.8° | 119.7° |
| C17 | C18 | H12 | 120.0° | 120.1° |
| C8 | N1 | C7 | 112.7° | 117.3° |
| N1 | C8 | C9 | 113.4° | 108.9° |
| N1 | C8 | H6 | 108.5° | 109.6° |
| N1 | C8 | H7 | 108.5° | 109.6° |
| N1 | C7 | C6 | 110.3° | 108.2° |
| N1 | C7 | H4 | 109.3° | 109.7° |
| N1 | C7 | H5 | 109.3° | 109.7° |
| C8 | C9 | N | 116.6° | 123.1° |
| C9 | C8 | H6 | 108.5° | 109.6° |
| C9 | C8 | H7 | 108.5° | 109.6° |
| C9 | N | C6 | 123.1° | 124.5° |
| C9 | N | C4 | 120.8° | 117.8° |
| C | C5 | C4 | 118.9° | 119.9° |
| C5 | C | C1 | 121.9° | 120.0° |
| C | C5 | H1 | 120.6° | 120.0° |
| C5 | C4 | N | 119.0° | 120.1° |
| C5 | C4 | C3 | 120.2° | 119.9° |
| C4 | C5 | H1 | 120.5° | 120.1° |
| C | C1 | C2 | 118.8° | 120.1° |
| C | C1 | H16 | 120.6° | 119.9° |
| C6 | N | C4 | 115.9° | 117.7° |
| N | C6 | C7 | 112.5° | 110.8° |
| N | C6 | H2 | 108.7° | 109.2° |
| N | C6 | H3 | 108.7° | 109.2° |
| N | C4 | C3 | 120.7° | 120.0° |
| C7 | C6 | H2 | 108.7° | 109.2° |
| C7 | C6 | H3 | 108.7° | 109.2° |
| C6 | C7 | H4 | 109.3° | 109.7° |
| C6 | C7 | H5 | 109.3° | 109.8° |
| C4 | C3 | C2 | 119.7° | 120.0° |
| C4 | C3 | H14 | 120.2° | 120.0° |
| C1 | C2 | C3 | 120.5° | 120.1° |
| C1 | C2 | H15 | 119.7° | 120.0° |
| C2 | C1 | H16 | 120.6° | 120.0° |
| C2 | C3 | H14 | 120.2° | 120.0° |
| C3 | C2 | H15 | 119.7° | 120.0° |
| H2 | C6 | H3 | 109.4° | 109.2° |
| H4 | C7 | H5 | 109.4° | 109.7° |
| H6 | C8 | H7 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O2 | C13 | N2 | C12 | 177.4° | 179.7° |
| O2 | C13 | N2 | C14 | 175.3° | 179.7° |
| O2 | C13 | C12 | C11 | 174.6° | 179.7° |
| O2 | C13 | C12 | H10 | 5.4° | 0.3° |
| O2 | C13 | N2 | H11 | 4.7° | 0.3° |
| C13 | N2 | C14 | H11 | 180.0° | 180.0° |
| N2 | C13 | C12 | C11 | 2.6° | 0.0° |
| C13 | N2 | C14 | C15 | 179.6° | 180.0° |
| C13 | N2 | C14 | C19 | 0.8° | 0.0° |
| N2 | C13 | C12 | H10 | 177.4° | 180.0° |
| C12 | C13 | N2 | C14 | 2.1° | 0.0° |
| C13 | C12 | C11 | H10 | 180.0° | 180.0° |
| C13 | C12 | C11 | C19 | 0.4° | 0.0° |
| C13 | C12 | C11 | C10 | 179.8° | 179.9° |
| C12 | C13 | N2 | H11 | 178.0° | 180.0° |
| N2 | C14 | C15 | C19 | 179.6° | 180.0° |
| N2 | C14 | C15 | C16 | 178.9° | 180.0° |
| N2 | C14 | C19 | C11 | 3.1° | 0.0° |
| N2 | C14 | C19 | C18 | 176.6° | 180.0° |
| N2 | C14 | C15 | H8 | 1.1° | 0.0° |
| C12 | C11 | C19 | C14 | 2.5° | 0.0° |
| C12 | C11 | C19 | C10 | 179.8° | 179.9° |
| C12 | C11 | C19 | C18 | 177.2° | 180.0° |
| C12 | C11 | C10 | O1 | 90.6° | 106.8° |
| C12 | C11 | C10 | N1 | 91.6° | 73.2° |
| C14 | C15 | C16 | H8 | 180.0° | 179.9° |
| C15 | C14 | C19 | C11 | 177.3° | 180.0° |
| C15 | C14 | C19 | C18 | 3.0° | 0.0° |
| C14 | C15 | C16 | C17 | 1.4° | 0.0° |
| C15 | C14 | N2 | H11 | 0.4° | 0.0° |
| C14 | C15 | C16 | H13 | 178.6° | 180.0° |
| C19 | C14 | C15 | C16 | 0.6° | 0.0° |
| C14 | C19 | C11 | C18 | 179.7° | 180.0° |
| C14 | C19 | C11 | C10 | 177.3° | 180.0° |
| C14 | C19 | C18 | C17 | 3.3° | 0.0° |
| C19 | C14 | C15 | H8 | 179.3° | 180.0° |
| C19 | C14 | N2 | H11 | 179.2° | 180.0° |
| C14 | C19 | C18 | H12 | 176.7° | 180.0° |
| C15 | C16 | C17 | H13 | 180.0° | 180.0° |
| C15 | C16 | C17 | C18 | 1.0° | 0.0° |
| C15 | C16 | C17 | H9 | 178.9° | 180.0° |
| C19 | C11 | C10 | O1 | 89.3° | 73.2° |
| C19 | C11 | C10 | N1 | 88.6° | 106.8° |
| C11 | C19 | C18 | C17 | 177.0° | 180.0° |
| C19 | C11 | C12 | H10 | 179.6° | 180.0° |
| C11 | C19 | C18 | H12 | 3.0° | 0.0° |
| C10 | C11 | C19 | C18 | 3.0° | 0.1° |
| C11 | C10 | O1 | N1 | 177.8° | 180.0° |
| C11 | C10 | N1 | C8 | 1.6° | 5.8° |
| C11 | C10 | N1 | C7 | 175.8° | 174.5° |
| C10 | C11 | C12 | H10 | 0.2° | 0.0° |
| C19 | C18 | C17 | C16 | 1.3° | 0.0° |
| C19 | C18 | C17 | H12 | 180.0° | 180.0° |
| C19 | C18 | C17 | H9 | 178.7° | 180.0° |
| O1 | C10 | N1 | C8 | 176.3° | 174.2° |
| O1 | C10 | N1 | C7 | 6.4° | 5.5° |
| C16 | C17 | C18 | H9 | 180.0° | 180.0° |
| C17 | C16 | C15 | H8 | 178.6° | 180.0° |
| C16 | C17 | C18 | H12 | 178.7° | 180.0° |
| C10 | N1 | C8 | C7 | 177.6° | 179.7° |
| C10 | N1 | C8 | C9 | 124.7° | 137.0° |
| C10 | N1 | C7 | C6 | 119.3° | 118.3° |
| C10 | N1 | C7 | H4 | 120.6° | 122.1° |
| C10 | N1 | C7 | H5 | 0.8° | 1.5° |
| C10 | N1 | C8 | H6 | 4.1° | 17.1° |
| C10 | N1 | C8 | H7 | 114.7° | 103.1° |
| CL | C | C5 | C1 | 177.8° | 180.0° |
| CL | C | C5 | C4 | 176.2° | 180.0° |
| CL | C | C1 | C2 | 177.2° | 180.0° |
| CL | C | C5 | H1 | 3.8° | 0.1° |
| CL | C | C1 | H16 | 2.8° | 0.0° |
| O | C9 | C8 | N1 | 144.0° | 167.3° |
| O | C9 | C8 | N | 178.3° | 180.0° |
| O | C9 | N | C6 | 154.4° | 175.7° |
| O | C9 | N | C4 | 21.6° | 4.3° |
| O | C9 | C8 | H6 | 23.4° | 47.4° |
| O | C9 | C8 | H7 | 95.4° | 72.8° |
| C18 | C17 | C16 | H13 | 178.9° | 180.0° |
| N1 | C8 | C9 | H6 | 120.6° | 119.9° |
| N1 | C8 | C9 | H7 | 120.6° | 119.9° |
| N1 | C8 | C9 | N | 34.3° | 12.7° |
| C8 | N1 | C7 | C6 | 58.2° | 61.5° |
| C8 | N1 | C7 | H4 | 61.9° | 58.2° |
| C8 | N1 | C7 | H5 | 178.3° | 178.8° |
| N1 | C8 | H6 | H7 | 118.2° | 120.3° |
| C7 | N1 | C8 | C9 | 52.9° | 42.7° |
| N1 | C7 | C6 | N | 44.4° | 46.7° |
| N1 | C7 | C6 | H4 | 120.1° | 119.6° |
| N1 | C7 | C6 | H5 | 120.1° | 119.7° |
| N1 | C7 | C6 | H2 | 76.0° | 167.1° |
| N1 | C7 | C6 | H3 | 164.9° | 73.6° |
| N1 | C7 | H4 | H5 | 119.7° | 120.6° |
| C7 | N1 | C8 | H6 | 173.5° | 162.6° |
| C7 | N1 | C8 | H7 | 67.7° | 77.2° |
| C8 | C9 | N | C6 | 23.9° | 4.3° |
| C8 | C9 | N | C4 | 160.2° | 175.7° |
| C9 | C8 | H6 | H7 | 118.2° | 120.3° |
| C9 | N | C4 | C5 | 107.4° | 113.8° |
| C9 | N | C6 | C4 | 176.2° | 180.0° |
| C9 | N | C6 | C7 | 29.3° | 21.9° |
| C9 | N | C4 | C3 | 69.0° | 66.4° |
| C9 | N | C6 | H2 | 91.2° | 142.3° |
| C9 | N | C6 | H3 | 149.7° | 98.4° |
| N | C9 | C8 | H6 | 154.9° | 132.6° |
| N | C9 | C8 | H7 | 86.3° | 107.2° |
| C | C5 | C4 | H1 | 180.0° | 179.9° |
| C | C5 | C4 | N | 174.7° | 179.7° |
| C | C5 | C4 | C3 | 1.7° | 0.0° |
| C5 | C | C1 | C2 | 0.5° | 0.0° |
| C5 | C | C1 | H16 | 179.4° | 180.0° |
| C4 | C5 | C | C1 | 1.6° | 0.0° |
| C5 | C4 | N | C6 | 68.8° | 66.1° |
| C5 | C4 | N | C3 | 176.4° | 179.8° |
| C5 | C4 | C3 | C2 | 0.9° | 0.0° |
| C5 | C4 | C3 | H14 | 179.2° | 179.9° |
| C | C1 | C2 | H16 | 180.0° | 180.0° |
| C | C1 | C2 | C3 | 0.3° | 0.0° |
| C1 | C | C5 | H1 | 178.5° | 179.9° |
| C | C1 | C2 | H15 | 179.6° | 180.0° |
| N | C6 | C7 | H2 | 120.5° | 120.3° |
| N | C6 | C7 | H3 | 120.5° | 120.4° |
| C6 | N | C4 | C3 | 114.7° | 113.6° |
| N | C6 | H2 | H3 | 118.6° | 119.4° |
| N | C6 | C7 | H4 | 75.7° | 72.9° |
| N | C6 | C7 | H5 | 164.6° | 166.4° |
| C4 | N | C6 | C7 | 154.6° | 158.1° |
| N | C4 | C3 | C2 | 175.5° | 179.8° |
| N | C4 | C5 | H1 | 5.3° | 0.2° |
| C4 | N | C6 | H2 | 85.0° | 37.8° |
| C4 | N | C6 | H3 | 34.1° | 81.5° |
| N | C4 | C3 | H14 | 4.5° | 0.3° |
| C7 | C6 | H2 | H3 | 118.6° | 119.3° |
| C6 | C7 | H4 | H5 | 119.6° | 120.7° |
| C4 | C3 | C2 | C1 | 0.2° | 0.0° |
| C4 | C3 | C2 | H14 | 180.0° | 179.9° |
| C3 | C4 | C5 | H1 | 178.3° | 179.9° |
| C4 | C3 | C2 | H15 | 179.8° | 180.0° |
| C1 | C2 | C3 | H15 | 180.0° | 180.0° |
| C1 | C2 | C3 | H14 | 179.8° | 179.9° |
| C3 | C2 | C1 | H16 | 179.7° | 180.0° |
| H2 | C6 | C7 | H4 | 163.8° | 47.5° |
| H2 | C6 | C7 | H5 | 44.1° | 73.2° |
| H3 | C6 | C7 | H4 | 44.7° | 166.7° |
| H3 | C6 | C7 | H5 | 75.0° | 46.1° |
| H8 | C15 | C16 | H13 | 1.4° | 0.0° |
| H9 | C17 | C18 | H12 | 1.3° | 0.0° |
| H9 | C17 | C16 | H13 | 1.1° | 0.0° |
| H14 | C3 | C2 | H15 | 0.2° | 0.1° |
| H15 | C2 | C1 | H16 | 0.3° | 0.0° |
