P9O
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C10 | doub | 1.32Å | 1.33Å | Aromatic |
| N1 | C9 | sing | 1.32Å | 1.33Å | Aromatic |
| C10 | C11 | sing | 1.39Å | 1.38Å | Aromatic |
| C9 | C8 | doub | 1.39Å | 1.39Å | Aromatic |
| C11 | C12 | sing | 1.51Å | 1.51Å | |
| C11 | C15 | doub | 1.38Å | 1.40Å | Aromatic |
| C12 | C13 | sing | 1.53Å | 1.51Å | |
| C8 | C15 | sing | 1.39Å | 1.40Å | Aromatic |
| C8 | N | sing | 1.40Å | 1.40Å | |
| C15 | C14 | sing | 1.50Å | 1.51Å | |
| CL | C | sing | 1.74Å | 1.74Å | |
| N | C7 | sing | 1.35Å | 1.34Å | |
| C13 | N2 | sing | 1.47Å | 1.47Å | |
| O1 | C7 | doub | 1.21Å | 1.23Å | |
| C7 | C6 | sing | 1.51Å | 1.53Å | |
| C | C17 | doub | 1.38Å | 1.38Å | Aromatic |
| C | C1 | sing | 1.38Å | 1.38Å | Aromatic |
| C17 | C16 | sing | 1.38Å | 1.40Å | Aromatic |
| C14 | N2 | sing | 1.47Å | 1.47Å | |
| C1 | C2 | doub | 1.38Å | 1.38Å | Aromatic |
| C6 | C16 | sing | 1.51Å | 1.52Å | |
| C6 | C5 | sing | 1.53Å | 1.53Å | |
| C16 | C3 | doub | 1.38Å | 1.40Å | Aromatic |
| C2 | C3 | sing | 1.39Å | 1.39Å | Aromatic |
| C3 | O | sing | 1.36Å | 1.37Å | |
| C5 | C4 | sing | 1.53Å | 1.51Å | |
| C4 | O | sing | 1.43Å | 1.44Å | |
| C4 | H1 | sing | 1.09Å | 1.10Å | |
| C4 | H2 | sing | 1.09Å | 1.10Å | |
| C5 | H3 | sing | 1.09Å | 1.10Å | |
| C5 | H4 | sing | 1.09Å | 1.10Å | |
| C6 | H5 | sing | 1.09Å | 1.10Å | |
| C10 | H6 | sing | 1.08Å | 1.08Å | |
| C13 | H7 | sing | 1.09Å | 1.10Å | |
| C13 | H8 | sing | 1.09Å | 1.10Å | |
| C17 | H9 | sing | 1.08Å | 1.08Å | |
| C2 | H10 | sing | 1.08Å | 1.08Å | |
| C1 | H11 | sing | 1.08Å | 1.08Å | |
| N | H12 | sing | 0.97Å | 1.00Å | |
| C14 | H13 | sing | 1.09Å | 1.10Å | |
| C14 | H14 | sing | 1.09Å | 1.10Å | |
| N2 | H15 | sing | 1.01Å | 1.00Å | |
| C12 | H17 | sing | 1.09Å | 1.10Å | |
| C12 | H18 | sing | 1.09Å | 1.10Å | |
| C9 | H19 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C10 | N1 | C9 | 117.4° | 121.8° |
| N1 | C10 | C11 | 124.4° | 120.9° |
| N1 | C10 | H6 | 117.8° | 119.5° |
| N1 | C9 | C8 | 123.8° | 120.5° |
| N1 | C9 | H19 | 118.1° | 119.8° |
| C10 | C11 | C12 | 121.1° | 119.2° |
| C10 | C11 | C15 | 117.9° | 119.1° |
| C11 | C10 | H6 | 117.8° | 119.5° |
| C9 | C8 | C15 | 118.0° | 119.0° |
| C9 | C8 | N | 110.0° | 120.4° |
| C8 | C9 | H19 | 118.1° | 119.7° |
| C12 | C11 | C15 | 121.0° | 121.6° |
| C11 | C12 | C13 | 111.2° | 109.8° |
| C11 | C12 | H17 | 109.0° | 109.4° |
| C11 | C12 | H18 | 109.0° | 109.4° |
| C11 | C15 | C8 | 118.5° | 118.5° |
| C11 | C15 | C14 | 121.3° | 122.1° |
| C12 | C13 | N2 | 111.3° | 108.6° |
| C12 | C13 | H7 | 109.0° | 109.6° |
| C12 | C13 | H8 | 109.0° | 109.8° |
| C13 | C12 | H17 | 109.1° | 109.4° |
| C13 | C12 | H18 | 109.1° | 109.4° |
| C15 | C8 | N | 130.6° | 120.5° |
| C8 | C15 | C14 | 120.2° | 119.3° |
| C8 | N | C7 | 137.7° | 120.0° |
| C8 | N | H12 | 111.1° | 120.0° |
| C15 | C14 | N2 | 113.3° | 110.4° |
| C15 | C14 | H13 | 108.5° | 109.3° |
| C15 | C14 | H14 | 108.5° | 109.3° |
| CL | C | C17 | 119.0° | 120.0° |
| CL | C | C1 | 119.2° | 120.0° |
| N | C7 | O1 | 122.7° | 120.0° |
| N | C7 | C6 | 114.8° | 120.0° |
| C7 | N | H12 | 111.1° | 120.0° |
| C13 | N2 | C14 | 111.9° | 110.3° |
| N2 | C13 | H7 | 109.0° | 109.6° |
| N2 | C13 | H8 | 109.0° | 109.6° |
| C13 | N2 | H15 | 108.9° | 111.0° |
| O1 | C7 | C6 | 122.5° | 120.0° |
| C7 | C6 | C16 | 107.0° | 109.4° |
| C7 | C6 | C5 | 108.6° | 109.4° |
| C7 | C6 | H5 | 109.4° | 109.4° |
| C17 | C | C1 | 121.8° | 120.0° |
| C | C17 | C16 | 119.7° | 120.3° |
| C | C17 | H9 | 120.2° | 119.8° |
| C | C1 | C2 | 119.3° | 119.9° |
| C | C1 | H11 | 120.3° | 120.0° |
| C17 | C16 | C6 | 121.6° | 118.7° |
| C17 | C16 | C3 | 118.2° | 119.8° |
| C16 | C17 | H9 | 120.1° | 119.8° |
| N2 | C14 | H13 | 108.5° | 109.3° |
| N2 | C14 | H14 | 108.5° | 109.3° |
| C14 | N2 | H15 | 108.9° | 111.1° |
| C1 | C2 | C3 | 119.5° | 120.2° |
| C1 | C2 | H10 | 120.3° | 119.9° |
| C2 | C1 | H11 | 120.3° | 120.0° |
| C16 | C6 | C5 | 112.8° | 109.6° |
| C6 | C16 | C3 | 120.1° | 121.5° |
| C16 | C6 | H5 | 109.6° | 109.5° |
| C6 | C5 | C4 | 110.2° | 108.3° |
| C6 | C5 | H3 | 109.3° | 109.7° |
| C6 | C5 | H4 | 109.3° | 109.7° |
| C5 | C6 | H5 | 109.3° | 109.4° |
| C16 | C3 | C2 | 121.5° | 119.8° |
| C16 | C3 | O | 122.8° | 121.8° |
| C2 | C3 | O | 115.8° | 118.5° |
| C3 | C2 | H10 | 120.2° | 119.9° |
| C3 | O | C4 | 114.1° | 117.9° |
| C5 | C4 | O | 110.9° | 108.3° |
| C5 | C4 | H1 | 109.1° | 109.7° |
| C5 | C4 | H2 | 109.1° | 109.8° |
| C4 | C5 | H3 | 109.3° | 109.7° |
| C4 | C5 | H4 | 109.3° | 109.7° |
| O | C4 | H1 | 109.1° | 109.7° |
| O | C4 | H2 | 109.1° | 109.7° |
| H1 | C4 | H2 | 109.5° | 109.7° |
| H3 | C5 | H4 | 109.5° | 109.7° |
| H7 | C13 | H8 | 109.5° | 109.5° |
| H13 | C14 | H14 | 109.5° | 109.2° |
| H17 | C12 | H18 | 109.4° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N1 | C10 | C11 | H6 | 180.0° | 180.0° |
| C10 | N1 | C9 | C8 | 1.8° | 0.1° |
| N1 | C10 | C11 | C12 | 179.6° | 179.7° |
| N1 | C10 | C11 | C15 | 0.6° | 0.1° |
| C10 | N1 | C9 | H19 | 178.2° | 179.9° |
| C9 | N1 | C10 | C11 | 1.6° | 0.0° |
| N1 | C9 | C8 | H19 | 180.0° | 180.0° |
| N1 | C9 | C8 | C15 | 0.2° | 0.0° |
| N1 | C9 | C8 | N | 168.0° | 180.0° |
| C9 | N1 | C10 | H6 | 178.4° | 180.0° |
| C10 | C11 | C12 | C15 | 179.8° | 179.8° |
| C10 | C11 | C12 | C13 | 163.3° | 163.2° |
| C10 | C11 | C15 | C8 | 2.7° | 0.2° |
| C10 | C11 | C15 | C14 | 178.7° | 179.7° |
| C10 | C11 | C12 | H17 | 76.4° | 43.1° |
| C10 | C11 | C12 | H18 | 43.1° | 76.7° |
| C9 | C8 | C15 | C11 | 2.5° | 0.1° |
| C9 | C8 | C15 | N | 164.8° | 180.0° |
| C9 | C8 | C15 | C14 | 178.9° | 179.8° |
| C9 | C8 | N | C7 | 95.3° | 19.3° |
| C9 | C8 | N | H12 | 84.7° | 160.7° |
| C11 | C12 | C13 | H17 | 120.3° | 120.1° |
| C11 | C12 | C13 | H18 | 120.3° | 120.1° |
| C12 | C11 | C15 | C8 | 177.5° | 179.7° |
| C12 | C11 | C15 | C14 | 1.1° | 0.5° |
| C11 | C12 | C13 | N2 | 48.7° | 50.4° |
| C12 | C11 | C10 | H6 | 0.5° | 0.3° |
| C11 | C12 | C13 | H7 | 168.9° | 69.4° |
| C11 | C12 | C13 | H8 | 71.6° | 170.3° |
| C11 | C12 | H17 | H18 | 119.2° | 119.8° |
| C15 | C11 | C12 | C13 | 16.8° | 17.0° |
| C11 | C15 | C8 | C14 | 178.6° | 179.9° |
| C11 | C15 | C8 | N | 167.3° | 179.9° |
| C11 | C15 | C14 | N2 | 12.5° | 17.3° |
| C15 | C11 | C10 | H6 | 179.4° | 179.9° |
| C11 | C15 | C14 | H13 | 108.1° | 102.9° |
| C11 | C15 | C14 | H14 | 133.1° | 137.6° |
| C15 | C11 | C12 | H17 | 103.5° | 137.0° |
| C15 | C11 | C12 | H18 | 137.1° | 103.1° |
| C12 | C13 | N2 | H7 | 120.3° | 119.8° |
| C12 | C13 | N2 | H8 | 120.3° | 120.0° |
| C12 | C13 | N2 | C14 | 64.7° | 71.2° |
| C12 | C13 | H7 | H8 | 119.1° | 120.5° |
| C12 | C13 | N2 | H15 | 55.7° | 52.4° |
| C13 | C12 | H17 | H18 | 119.2° | 119.9° |
| C15 | C8 | N | C7 | 70.4° | 160.7° |
| C8 | C15 | C14 | N2 | 168.9° | 162.8° |
| C15 | C8 | N | H12 | 109.5° | 19.3° |
| C8 | C15 | C14 | H13 | 70.5° | 76.9° |
| C8 | C15 | C14 | H14 | 48.3° | 42.6° |
| C15 | C8 | C9 | H19 | 179.8° | 180.0° |
| N | C8 | C15 | C14 | 14.1° | 0.2° |
| C8 | N | C7 | H12 | 180.0° | 180.0° |
| C8 | N | C7 | O1 | 27.6° | 5.6° |
| C8 | N | C7 | C6 | 154.3° | 174.4° |
| N | C8 | C9 | H19 | 12.0° | 0.0° |
| C15 | C14 | N2 | C13 | 44.7° | 52.2° |
| C15 | C14 | N2 | H13 | 120.6° | 120.3° |
| C15 | C14 | N2 | H14 | 120.6° | 120.3° |
| C15 | C14 | H13 | H14 | 118.2° | 119.6° |
| C15 | C14 | N2 | H15 | 75.7° | 71.3° |
| CL | C | C17 | C1 | 179.4° | 179.9° |
| CL | C | C17 | C16 | 179.8° | 179.9° |
| CL | C | C1 | C2 | 177.6° | 179.9° |
| CL | C | C17 | H9 | 0.2° | 0.0° |
| CL | C | C1 | H11 | 2.4° | 0.0° |
| N | C7 | O1 | C6 | 178.0° | 179.9° |
| N | C7 | C6 | C16 | 142.4° | 96.0° |
| N | C7 | C6 | C5 | 95.5° | 143.9° |
| N | C7 | C6 | H5 | 23.8° | 24.0° |
| C13 | N2 | C14 | H15 | 120.4° | 123.5° |
| N2 | C13 | H7 | H8 | 119.2° | 120.3° |
| C13 | N2 | C14 | H13 | 75.8° | 68.1° |
| C13 | N2 | C14 | H14 | 165.3° | 172.4° |
| N2 | C13 | C12 | H17 | 71.6° | 170.5° |
| N2 | C13 | C12 | H18 | 168.9° | 69.6° |
| O1 | C7 | C6 | C16 | 35.7° | 84.1° |
| O1 | C7 | C6 | C5 | 86.3° | 36.1° |
| O1 | C7 | C6 | H5 | 154.4° | 156.0° |
| O1 | C7 | N | H12 | 152.4° | 174.4° |
| C7 | C6 | C16 | C17 | 67.3° | 42.2° |
| C7 | C6 | C16 | C5 | 119.4° | 120.0° |
| C7 | C6 | C16 | H5 | 118.5° | 119.9° |
| C7 | C6 | C5 | H5 | 119.3° | 119.9° |
| C7 | C6 | C16 | C3 | 109.2° | 137.9° |
| C7 | C6 | C5 | C4 | 82.0° | 168.3° |
| C7 | C6 | C5 | H3 | 38.2° | 72.0° |
| C7 | C6 | C5 | H4 | 157.9° | 48.6° |
| C6 | C7 | N | H12 | 25.7° | 5.6° |
| C | C17 | C16 | H9 | 180.0° | 180.0° |
| C17 | C | C1 | C2 | 1.8° | 0.2° |
| C | C17 | C16 | C6 | 174.3° | 179.9° |
| C | C17 | C16 | C3 | 2.3° | 0.0° |
| C17 | C | C1 | H11 | 178.2° | 179.9° |
| C1 | C | C17 | C16 | 0.4° | 0.1° |
| C | C1 | C2 | H11 | 180.0° | 179.9° |
| C | C1 | C2 | C3 | 2.1° | 0.1° |
| C1 | C | C17 | H9 | 179.6° | 179.9° |
| C | C1 | C2 | H10 | 177.9° | 180.0° |
| C17 | C16 | C6 | C3 | 176.5° | 179.9° |
| C17 | C16 | C6 | C5 | 173.3° | 162.2° |
| C17 | C16 | C3 | C2 | 2.0° | 0.1° |
| C17 | C16 | C3 | O | 178.3° | 179.7° |
| C17 | C16 | C6 | H5 | 51.2° | 77.7° |
| C14 | N2 | C13 | H7 | 175.0° | 48.6° |
| C14 | N2 | C13 | H8 | 55.6° | 168.9° |
| N2 | C14 | H13 | H14 | 118.3° | 119.5° |
| C1 | C2 | C3 | C16 | 0.2° | 0.1° |
| C1 | C2 | C3 | H10 | 180.0° | 179.9° |
| C1 | C2 | C3 | O | 179.5° | 179.7° |
| C16 | C6 | C5 | H5 | 122.3° | 120.1° |
| C6 | C16 | C3 | C2 | 174.7° | 179.8° |
| C6 | C16 | C3 | O | 5.0° | 0.4° |
| C16 | C6 | C5 | C4 | 36.5° | 48.3° |
| C16 | C6 | C5 | H3 | 156.6° | 168.0° |
| C16 | C6 | C5 | H4 | 83.7° | 71.5° |
| C6 | C16 | C17 | H9 | 5.7° | 0.1° |
| C5 | C6 | C16 | C3 | 10.2° | 17.9° |
| C6 | C5 | C4 | H3 | 120.1° | 119.7° |
| C6 | C5 | C4 | H4 | 120.1° | 119.8° |
| C6 | C5 | C4 | O | 59.9° | 64.8° |
| C6 | C5 | C4 | H1 | 60.3° | 175.5° |
| C6 | C5 | C4 | H2 | 179.9° | 55.0° |
| C6 | C5 | H3 | H4 | 119.7° | 120.6° |
| C16 | C3 | C2 | O | 179.7° | 179.8° |
| C16 | C3 | O | C4 | 28.0° | 17.1° |
| C3 | C16 | C6 | H5 | 132.3° | 102.2° |
| C3 | C16 | C17 | H9 | 177.7° | 179.9° |
| C16 | C3 | C2 | H10 | 179.8° | 179.9° |
| C2 | C3 | O | C4 | 151.7° | 163.1° |
| C3 | C2 | C1 | H11 | 177.9° | 180.0° |
| C3 | O | C4 | C5 | 55.7° | 49.1° |
| C3 | O | C4 | H1 | 64.5° | 168.8° |
| C3 | O | C4 | H2 | 175.9° | 70.6° |
| O | C3 | C2 | H10 | 0.5° | 0.3° |
| C5 | C4 | O | H1 | 120.2° | 119.7° |
| C5 | C4 | O | H2 | 120.2° | 119.8° |
| C5 | C4 | H1 | H2 | 119.3° | 120.6° |
| C4 | C5 | H3 | H4 | 119.7° | 120.6° |
| C4 | C5 | C6 | H5 | 158.7° | 71.8° |
| O | C4 | H1 | H2 | 119.3° | 120.5° |
| O | C4 | C5 | H3 | 180.0° | 175.6° |
| O | C4 | C5 | H4 | 60.2° | 55.0° |
| H1 | C4 | C5 | H3 | 59.8° | 55.9° |
| H1 | C4 | C5 | H4 | 179.6° | 64.7° |
| H2 | C4 | C5 | H3 | 59.8° | 64.7° |
| H2 | C4 | C5 | H4 | 60.0° | 174.7° |
| H3 | C5 | C6 | H5 | 81.2° | 47.9° |
| H4 | C5 | C6 | H5 | 38.6° | 168.5° |
| H7 | C13 | N2 | H15 | 64.6° | 172.2° |
| H7 | C13 | C12 | H17 | 48.7° | 50.7° |
| H7 | C13 | C12 | H18 | 70.8° | 170.6° |
| H8 | C13 | N2 | H15 | 176.0° | 67.6° |
| H8 | C13 | C12 | H17 | 168.1° | 69.6° |
| H8 | C13 | C12 | H18 | 48.6° | 50.2° |
| H10 | C2 | C1 | H11 | 2.1° | 0.1° |
| H13 | C14 | N2 | H15 | 163.8° | 168.4° |
| H14 | C14 | N2 | H15 | 44.9° | 49.0° |
