P3O
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N19 | C18 | trip | 1.14Å | 1.13Å | |
| C18 | C17 | sing | 1.43Å | 1.49Å | |
| C17 | C20 | doub | 1.40Å | 1.37Å | Aromatic |
| C17 | C16 | sing | 1.40Å | 1.38Å | Aromatic |
| C20 | C21 | sing | 1.38Å | 1.42Å | Aromatic |
| C16 | C15 | doub | 1.38Å | 1.43Å | Aromatic |
| C21 | C22 | doub | 1.38Å | 1.39Å | Aromatic |
| CL01 | C02 | sing | 1.74Å | 1.79Å | |
| C15 | C22 | sing | 1.38Å | 1.36Å | Aromatic |
| C15 | C14 | sing | 1.51Å | 1.54Å | |
| C30 | C02 | doub | 1.38Å | 1.46Å | Aromatic |
| C30 | C29 | sing | 1.38Å | 1.32Å | Aromatic |
| C02 | C03 | sing | 1.38Å | 1.38Å | Aromatic |
| C14 | N13 | sing | 1.47Å | 1.32Å | |
| C29 | C05 | doub | 1.38Å | 1.41Å | Aromatic |
| N13 | C12 | sing | 1.47Å | 1.54Å | |
| N13 | C23 | sing | 1.47Å | 1.24Å | |
| C03 | C04 | doub | 1.38Å | 1.36Å | Aromatic |
| C12 | C11 | sing | 1.50Å | 1.45Å | |
| C23 | C24 | sing | 1.53Å | 1.65Å | |
| C24 | C10 | sing | 1.51Å | 1.32Å | |
| C11 | C10 | doub | 1.34Å | 1.49Å | |
| C11 | C27 | sing | 1.42Å | 1.49Å | |
| C10 | N09 | sing | 1.37Å | 1.43Å | |
| C05 | C04 | sing | 1.38Å | 1.43Å | Aromatic |
| C05 | C06 | sing | 1.51Å | 1.53Å | |
| O28 | C27 | doub | 1.22Å | 1.16Å | |
| C27 | N07 | sing | 1.35Å | 1.44Å | |
| N09 | C25 | sing | 1.46Å | 1.45Å | |
| N09 | C08 | sing | 1.34Å | 1.47Å | |
| N07 | C08 | sing | 1.35Å | 1.49Å | |
| N07 | C06 | sing | 1.46Å | 1.51Å | |
| C08 | O26 | doub | 1.22Å | 1.26Å | |
| C03 | H1 | sing | 1.08Å | 1.08Å | |
| C04 | H2 | sing | 1.08Å | 1.08Å | |
| C06 | H3 | sing | 1.09Å | 1.10Å | |
| C06 | H4 | sing | 1.09Å | 1.10Å | |
| C12 | H5 | sing | 1.09Å | 1.10Å | |
| C12 | H6 | sing | 1.09Å | 1.10Å | |
| C14 | H7 | sing | 1.09Å | 1.10Å | |
| C14 | H8 | sing | 1.09Å | 1.10Å | |
| C16 | H9 | sing | 1.08Å | 1.08Å | |
| C20 | H10 | sing | 1.08Å | 1.08Å | |
| C21 | H11 | sing | 1.08Å | 1.08Å | |
| C22 | H12 | sing | 1.08Å | 1.08Å | |
| C23 | H13 | sing | 1.09Å | 1.10Å | |
| C23 | H14 | sing | 1.09Å | 1.10Å | |
| C24 | H15 | sing | 1.09Å | 1.10Å | |
| C24 | H16 | sing | 1.09Å | 1.10Å | |
| C25 | H17 | sing | 1.09Å | 1.10Å | |
| C25 | H18 | sing | 1.09Å | 1.10Å | |
| C25 | H19 | sing | 1.09Å | 1.10Å | |
| C29 | H20 | sing | 1.08Å | 1.08Å | |
| C30 | H21 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N19 | C18 | C17 | 179.3° | 179.9° |
| C18 | C17 | C20 | 119.5° | 120.2° |
| C18 | C17 | C16 | 120.4° | 120.1° |
| C20 | C17 | C16 | 120.2° | 119.7° |
| C17 | C20 | C21 | 119.9° | 119.8° |
| C17 | C20 | H10 | 120.1° | 120.1° |
| C17 | C16 | C15 | 119.6° | 119.9° |
| C17 | C16 | H9 | 120.2° | 120.0° |
| C20 | C21 | C22 | 120.4° | 120.2° |
| C21 | C20 | H10 | 120.0° | 120.1° |
| C20 | C21 | H11 | 119.8° | 119.9° |
| C16 | C15 | C22 | 120.6° | 120.1° |
| C16 | C15 | C14 | 120.0° | 120.0° |
| C15 | C16 | H9 | 120.2° | 120.1° |
| C21 | C22 | C15 | 119.4° | 120.4° |
| C22 | C21 | H11 | 119.8° | 119.9° |
| C21 | C22 | H12 | 120.3° | 119.8° |
| CL01 | C02 | C30 | 118.5° | 120.0° |
| CL01 | C02 | C03 | 119.3° | 120.0° |
| C22 | C15 | C14 | 119.4° | 120.0° |
| C15 | C22 | H12 | 120.3° | 119.8° |
| C15 | C14 | N13 | 109.8° | 109.5° |
| C15 | C14 | H7 | 109.4° | 109.5° |
| C15 | C14 | H8 | 109.4° | 109.5° |
| C02 | C30 | C29 | 119.4° | 120.0° |
| C30 | C02 | C03 | 122.1° | 119.9° |
| C02 | C30 | H21 | 120.3° | 120.0° |
| C30 | C29 | C05 | 118.3° | 120.0° |
| C30 | C29 | H20 | 120.8° | 120.0° |
| C29 | C30 | H21 | 120.3° | 120.0° |
| C02 | C03 | C04 | 118.9° | 120.0° |
| C02 | C03 | H1 | 120.6° | 120.0° |
| C14 | N13 | C12 | 114.8° | 111.0° |
| C14 | N13 | C23 | 108.8° | 111.1° |
| N13 | C14 | H7 | 109.4° | 109.4° |
| N13 | C14 | H8 | 109.4° | 109.4° |
| C29 | C05 | C04 | 122.8° | 120.0° |
| C29 | C05 | C06 | 118.0° | 120.0° |
| C05 | C29 | H20 | 120.9° | 120.0° |
| C12 | N13 | C23 | 110.9° | 110.1° |
| N13 | C12 | C11 | 114.5° | 110.6° |
| N13 | C12 | H5 | 108.2° | 109.2° |
| N13 | C12 | H6 | 108.2° | 109.2° |
| N13 | C23 | C24 | 111.7° | 108.4° |
| N13 | C23 | H13 | 108.9° | 109.7° |
| N13 | C23 | H14 | 108.9° | 109.7° |
| C03 | C04 | C05 | 118.5° | 120.0° |
| C04 | C03 | H1 | 120.6° | 120.0° |
| C03 | C04 | H2 | 120.7° | 120.0° |
| C12 | C11 | C10 | 119.4° | 122.4° |
| C12 | C11 | C27 | 122.0° | 118.6° |
| C11 | C12 | H5 | 108.2° | 109.3° |
| C11 | C12 | H6 | 108.2° | 109.3° |
| C23 | C24 | C10 | 113.3° | 110.1° |
| C24 | C23 | H13 | 108.9° | 109.7° |
| C24 | C23 | H14 | 108.9° | 109.7° |
| C23 | C24 | H15 | 108.5° | 109.4° |
| C23 | C24 | H16 | 108.5° | 109.4° |
| C24 | C10 | C11 | 119.8° | 121.9° |
| C24 | C10 | N09 | 119.0° | 118.5° |
| C10 | C24 | H15 | 108.5° | 109.4° |
| C10 | C24 | H16 | 108.5° | 109.3° |
| C10 | C11 | C27 | 118.6° | 119.0° |
| C11 | C10 | N09 | 121.2° | 119.5° |
| C11 | C27 | O28 | 120.0° | 120.2° |
| C11 | C27 | N07 | 119.6° | 119.7° |
| C10 | N09 | C25 | 119.3° | 119.6° |
| C10 | N09 | C08 | 120.6° | 120.9° |
| C04 | C05 | C06 | 119.2° | 120.0° |
| C05 | C04 | H2 | 120.7° | 120.0° |
| C05 | C06 | N07 | 111.1° | 109.5° |
| C05 | C06 | H3 | 109.0° | 109.5° |
| C05 | C06 | H4 | 109.1° | 109.5° |
| O28 | C27 | N07 | 120.4° | 120.1° |
| C27 | N07 | C08 | 121.0° | 120.0° |
| C27 | N07 | C06 | 121.3° | 120.0° |
| C25 | N09 | C08 | 120.1° | 119.5° |
| N09 | C25 | H17 | 109.5° | 109.5° |
| N09 | C25 | H18 | 109.5° | 109.5° |
| N09 | C25 | H19 | 109.5° | 109.5° |
| N09 | C08 | N07 | 119.1° | 120.8° |
| N09 | C08 | O26 | 120.9° | 119.7° |
| C08 | N07 | C06 | 117.7° | 120.0° |
| N07 | C08 | O26 | 120.0° | 119.5° |
| N07 | C06 | H3 | 109.1° | 109.5° |
| N07 | C06 | H4 | 109.0° | 109.5° |
| H3 | C06 | H4 | 109.5° | 109.4° |
| H5 | C12 | H6 | 109.5° | 109.3° |
| H7 | C14 | H8 | 109.4° | 109.4° |
| H13 | C23 | H14 | 109.5° | 109.6° |
| H15 | C24 | H16 | 109.5° | 109.3° |
| H17 | C25 | H18 | 109.5° | 109.4° |
| H17 | C25 | H19 | 109.5° | 109.5° |
| H18 | C25 | H19 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N19 | C18 | C17 | C20 | 173.9° | 6.3° |
| N19 | C18 | C17 | C16 | 5.9° | 173.6° |
| C18 | C17 | C20 | C16 | 179.8° | 180.0° |
| C18 | C17 | C20 | C21 | 179.9° | 180.0° |
| C18 | C17 | C16 | C15 | 179.9° | 180.0° |
| C18 | C17 | C16 | H9 | 0.1° | 0.0° |
| C18 | C17 | C20 | H10 | 0.1° | 0.1° |
| C17 | C20 | C21 | H10 | 180.0° | 180.0° |
| C20 | C17 | C16 | C15 | 0.3° | 0.0° |
| C17 | C20 | C21 | C22 | 0.5° | 0.0° |
| C20 | C17 | C16 | H9 | 179.7° | 180.0° |
| C17 | C20 | C21 | H11 | 179.5° | 179.9° |
| C16 | C17 | C20 | C21 | 0.3° | 0.0° |
| C17 | C16 | C15 | H9 | 180.0° | 180.0° |
| C17 | C16 | C15 | C22 | 0.6° | 0.0° |
| C17 | C16 | C15 | C14 | 179.1° | 179.7° |
| C16 | C17 | C20 | H10 | 179.7° | 180.0° |
| C20 | C21 | C22 | H11 | 180.0° | 179.9° |
| C20 | C21 | C22 | C15 | 0.7° | 0.0° |
| C20 | C21 | C22 | H12 | 179.3° | 179.7° |
| C16 | C15 | C22 | C21 | 0.8° | 0.0° |
| C16 | C15 | C22 | C14 | 179.7° | 179.7° |
| C16 | C15 | C14 | N13 | 76.0° | 89.7° |
| C16 | C15 | C14 | H7 | 164.0° | 30.3° |
| C16 | C15 | C14 | H8 | 44.1° | 150.3° |
| C16 | C15 | C22 | H12 | 179.3° | 179.8° |
| C21 | C22 | C15 | H12 | 180.0° | 179.7° |
| C21 | C22 | C15 | C14 | 178.9° | 179.7° |
| C22 | C21 | C20 | H10 | 179.6° | 180.0° |
| CL01 | C02 | C30 | C03 | 179.2° | 179.7° |
| CL01 | C02 | C30 | C29 | 179.2° | 179.7° |
| CL01 | C02 | C03 | C04 | 178.4° | 179.7° |
| CL01 | C02 | C03 | H1 | 1.6° | 0.3° |
| CL01 | C02 | C30 | H21 | 0.8° | 0.3° |
| C22 | C15 | C14 | N13 | 103.7° | 90.0° |
| C22 | C15 | C14 | H7 | 16.3° | 150.0° |
| C22 | C15 | C14 | H8 | 136.2° | 30.0° |
| C22 | C15 | C16 | H9 | 179.4° | 180.0° |
| C15 | C22 | C21 | H11 | 179.3° | 179.9° |
| C15 | C14 | N13 | H7 | 120.1° | 120.0° |
| C15 | C14 | N13 | H8 | 120.1° | 120.0° |
| C15 | C14 | N13 | C12 | 68.4° | 66.0° |
| C15 | C14 | N13 | C23 | 166.7° | 171.1° |
| C15 | C14 | H7 | H8 | 119.8° | 120.0° |
| C14 | C15 | C16 | H9 | 0.9° | 0.2° |
| C14 | C15 | C22 | H12 | 1.1° | 0.0° |
| C02 | C30 | C29 | H21 | 180.0° | 180.0° |
| C02 | C30 | C29 | C05 | 0.4° | 0.0° |
| C30 | C02 | C03 | C04 | 0.8° | 0.0° |
| C30 | C02 | C03 | H1 | 179.2° | 180.0° |
| C02 | C30 | C29 | H20 | 179.7° | 180.0° |
| C29 | C30 | C02 | C03 | 0.0° | 0.0° |
| C30 | C29 | C05 | H20 | 180.0° | 180.0° |
| C30 | C29 | C05 | C04 | 0.1° | 0.0° |
| C30 | C29 | C05 | C06 | 179.4° | 180.0° |
| C02 | C03 | C04 | H1 | 180.0° | 180.0° |
| C02 | C03 | C04 | C05 | 1.2° | 0.0° |
| C02 | C03 | C04 | H2 | 178.8° | 180.0° |
| C03 | C02 | C30 | H21 | 180.0° | 180.0° |
| C14 | N13 | C12 | C23 | 123.8° | 123.4° |
| C14 | N13 | C12 | C11 | 169.0° | 175.4° |
| C14 | N13 | C23 | C24 | 169.7° | 166.5° |
| C14 | N13 | C12 | H5 | 70.3° | 55.1° |
| C14 | N13 | C12 | H6 | 48.2° | 64.4° |
| N13 | C14 | H7 | H8 | 119.8° | 119.9° |
| C14 | N13 | C23 | H13 | 70.0° | 46.8° |
| C14 | N13 | C23 | H14 | 49.3° | 73.7° |
| C29 | C05 | C04 | C03 | 0.9° | 0.0° |
| C29 | C05 | C04 | C06 | 179.4° | 180.0° |
| C29 | C05 | C06 | N07 | 47.7° | 90.0° |
| C29 | C05 | C04 | H2 | 179.1° | 180.0° |
| C29 | C05 | C06 | H3 | 168.0° | 30.1° |
| C29 | C05 | C06 | H4 | 72.5° | 150.0° |
| C05 | C29 | C30 | H21 | 179.6° | 180.0° |
| N13 | C12 | C11 | H5 | 120.7° | 120.3° |
| N13 | C12 | C11 | H6 | 120.8° | 120.2° |
| C12 | N13 | C23 | C24 | 63.2° | 70.1° |
| N13 | C12 | C11 | C10 | 10.7° | 17.8° |
| N13 | C12 | C11 | C27 | 169.9° | 162.1° |
| N13 | C12 | H5 | H6 | 117.7° | 119.4° |
| C12 | N13 | C14 | H7 | 51.7° | 54.0° |
| C12 | N13 | C14 | H8 | 171.5° | 173.9° |
| C12 | N13 | C23 | H13 | 57.1° | 170.2° |
| C12 | N13 | C23 | H14 | 176.4° | 49.7° |
| C23 | N13 | C12 | C11 | 45.2° | 52.0° |
| N13 | C23 | C24 | H13 | 120.3° | 119.7° |
| N13 | C23 | C24 | H14 | 120.4° | 119.8° |
| N13 | C23 | C24 | C10 | 52.6° | 50.0° |
| C23 | N13 | C12 | H5 | 165.9° | 68.3° |
| C23 | N13 | C12 | H6 | 75.6° | 172.2° |
| C23 | N13 | C14 | H7 | 73.2° | 68.8° |
| C23 | N13 | C14 | H8 | 46.7° | 51.1° |
| N13 | C23 | H13 | H14 | 119.0° | 120.6° |
| N13 | C23 | C24 | H15 | 173.2° | 70.2° |
| N13 | C23 | C24 | H16 | 68.0° | 170.2° |
| C03 | C04 | C05 | H2 | 180.0° | 180.0° |
| C03 | C04 | C05 | C06 | 178.5° | 180.0° |
| C12 | C11 | C10 | C24 | 0.9° | 1.1° |
| C12 | C11 | C10 | C27 | 179.4° | 179.9° |
| C12 | C11 | C10 | N09 | 179.9° | 179.2° |
| C12 | C11 | C27 | O28 | 0.8° | 0.3° |
| C12 | C11 | C27 | N07 | 179.6° | 179.4° |
| C11 | C12 | H5 | H6 | 117.7° | 119.5° |
| C23 | C24 | C10 | H15 | 120.6° | 120.2° |
| C23 | C24 | C10 | H16 | 120.5° | 120.1° |
| C23 | C24 | C10 | C11 | 17.1° | 17.3° |
| C23 | C24 | C10 | N09 | 163.7° | 163.0° |
| C24 | C23 | H13 | H14 | 119.0° | 120.5° |
| C23 | C24 | H15 | H16 | 118.2° | 119.7° |
| C24 | C10 | C11 | N09 | 179.2° | 179.7° |
| C24 | C10 | C11 | C27 | 179.7° | 178.8° |
| C24 | C10 | N09 | C25 | 0.0° | 0.7° |
| C24 | C10 | N09 | C08 | 179.7° | 179.2° |
| C10 | C24 | C23 | H13 | 67.8° | 169.7° |
| C10 | C24 | C23 | H14 | 172.9° | 69.8° |
| C10 | C24 | H15 | H16 | 118.3° | 119.7° |
| C10 | C11 | C27 | O28 | 179.9° | 179.6° |
| C10 | C11 | C27 | N07 | 0.3° | 0.6° |
| C11 | C10 | N09 | C25 | 179.2° | 179.6° |
| C11 | C10 | N09 | C08 | 0.5° | 0.5° |
| C10 | C11 | C12 | H5 | 131.5° | 102.4° |
| C10 | C11 | C12 | H6 | 110.0° | 138.1° |
| C11 | C10 | C24 | H15 | 137.7° | 102.9° |
| C11 | C10 | C24 | H16 | 103.5° | 137.4° |
| C27 | C11 | C10 | N09 | 0.5° | 0.9° |
| C11 | C27 | O28 | N07 | 179.6° | 179.7° |
| C11 | C27 | N07 | C08 | 0.0° | 0.0° |
| C11 | C27 | N07 | C06 | 178.5° | 180.0° |
| C27 | C11 | C12 | H5 | 49.2° | 77.7° |
| C27 | C11 | C12 | H6 | 69.3° | 41.8° |
| C10 | N09 | C25 | C08 | 179.7° | 180.0° |
| C10 | N09 | C08 | N07 | 0.2° | 0.2° |
| C10 | N09 | C08 | O26 | 179.9° | 179.9° |
| N09 | C10 | C24 | H15 | 43.1° | 76.7° |
| N09 | C10 | C24 | H16 | 75.8° | 42.9° |
| C10 | N09 | C25 | H17 | 180.0° | 90.0° |
| C10 | N09 | C25 | H18 | 60.0° | 150.0° |
| C10 | N09 | C25 | H19 | 60.0° | 29.9° |
| C04 | C05 | C06 | N07 | 132.8° | 90.0° |
| C05 | C04 | C03 | H1 | 178.8° | 180.0° |
| C04 | C05 | C06 | H3 | 12.6° | 149.9° |
| C04 | C05 | C06 | H4 | 106.9° | 30.0° |
| C04 | C05 | C29 | H20 | 179.9° | 179.9° |
| C05 | C06 | N07 | C27 | 102.8° | 90.0° |
| C05 | C06 | N07 | C08 | 78.6° | 90.0° |
| C05 | C06 | N07 | H3 | 120.2° | 120.0° |
| C05 | C06 | N07 | H4 | 120.2° | 120.0° |
| C06 | C05 | C04 | H2 | 1.4° | 0.0° |
| C05 | C06 | H3 | H4 | 119.3° | 119.9° |
| C06 | C05 | C29 | H20 | 0.7° | 0.1° |
| O28 | C27 | N07 | C08 | 179.6° | 179.7° |
| O28 | C27 | N07 | C06 | 2.0° | 0.3° |
| C27 | N07 | C08 | N09 | 0.1° | 0.5° |
| C27 | N07 | C08 | C06 | 178.5° | 180.0° |
| C27 | N07 | C08 | O26 | 179.7° | 179.9° |
| C27 | N07 | C06 | H3 | 137.0° | 30.0° |
| C27 | N07 | C06 | H4 | 17.4° | 150.0° |
| C25 | N09 | C08 | N07 | 179.5° | 179.7° |
| C25 | N09 | C08 | O26 | 0.2° | 0.1° |
| N09 | C25 | H17 | H18 | 120.0° | 120.0° |
| N09 | C25 | H17 | H19 | 120.0° | 120.0° |
| N09 | C25 | H18 | H19 | 120.0° | 120.0° |
| N09 | C08 | N07 | O26 | 179.8° | 179.7° |
| N09 | C08 | N07 | C06 | 178.5° | 179.6° |
| C08 | N09 | C25 | H17 | 0.3° | 89.9° |
| C08 | N09 | C25 | H18 | 120.3° | 30.0° |
| C08 | N09 | C25 | H19 | 119.7° | 150.1° |
| C08 | N07 | C06 | H3 | 41.6° | 150.0° |
| C08 | N07 | C06 | H4 | 161.1° | 30.1° |
| C06 | N07 | C08 | O26 | 1.8° | 0.1° |
| N07 | C06 | H3 | H4 | 119.3° | 120.0° |
| H1 | C03 | C04 | H2 | 1.2° | 0.0° |
| H10 | C20 | C21 | H11 | 0.5° | 0.0° |
| H11 | C21 | C22 | H12 | 0.7° | 0.3° |
| H13 | C23 | C24 | H15 | 52.8° | 49.5° |
| H13 | C23 | C24 | H16 | 171.7° | 70.1° |
| H14 | C23 | C24 | H15 | 66.5° | 170.0° |
| H14 | C23 | C24 | H16 | 52.4° | 50.3° |
| H17 | C25 | H18 | H19 | 120.0° | 120.0° |
| H20 | C29 | C30 | H21 | 0.4° | 0.1° |
