P4X
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C13 | N12 | sing | 1.47Å | 1.46Å | |
| N12 | C14 | sing | 1.34Å | 1.40Å | |
| N12 | C11 | sing | 1.37Å | 1.40Å | |
| O15 | C14 | doub | 1.21Å | 1.22Å | |
| C14 | C02 | sing | 1.50Å | 1.53Å | |
| C11 | C10 | doub | 1.32Å | 1.39Å | |
| C01 | C02 | sing | 1.53Å | 1.54Å | |
| C02 | C04 | sing | 1.51Å | 1.52Å | |
| C20 | N19 | sing | 1.46Å | 1.46Å | |
| C21 | N19 | sing | 1.35Å | 1.34Å | Aromatic |
| C21 | C16 | doub | 1.37Å | 1.38Å | Aromatic |
| N19 | N18 | sing | 1.40Å | 1.35Å | Aromatic |
| C10 | C16 | sing | 1.48Å | 1.48Å | |
| C10 | C09 | sing | 1.47Å | 1.48Å | |
| C16 | C17 | sing | 1.41Å | 1.41Å | Aromatic |
| N18 | C17 | doub | 1.31Å | 1.32Å | Aromatic |
| C04 | C09 | doub | 1.39Å | 1.40Å | Aromatic |
| C04 | C05 | sing | 1.38Å | 1.39Å | Aromatic |
| C09 | C08 | sing | 1.40Å | 1.40Å | Aromatic |
| C05 | C06 | doub | 1.38Å | 1.38Å | Aromatic |
| C08 | C07 | doub | 1.38Å | 1.39Å | Aromatic |
| C06 | C07 | sing | 1.38Å | 1.39Å | Aromatic |
| C07 | C22 | sing | 1.51Å | 1.51Å | |
| C22 | O24 | sing | 1.43Å | 1.42Å | |
| C22 | C25 | sing | 1.53Å | 1.52Å | |
| C25 | O26 | sing | 1.43Å | 1.42Å | |
| C13 | H1 | sing | 1.09Å | 1.10Å | |
| C13 | H2 | sing | 1.09Å | 1.10Å | |
| C13 | H3 | sing | 1.09Å | 1.10Å | |
| C17 | H4 | sing | 1.08Å | 1.08Å | |
| C20 | H5 | sing | 1.09Å | 1.10Å | |
| C20 | H6 | sing | 1.09Å | 1.10Å | |
| C20 | H7 | sing | 1.09Å | 1.10Å | |
| C21 | H8 | sing | 1.08Å | 1.08Å | |
| C22 | H9 | sing | 1.09Å | 1.10Å | |
| C01 | H10 | sing | 1.09Å | 1.10Å | |
| C01 | H11 | sing | 1.09Å | 1.10Å | |
| C01 | H12 | sing | 1.09Å | 1.10Å | |
| C02 | H13 | sing | 1.09Å | 1.10Å | |
| C05 | H14 | sing | 1.08Å | 1.08Å | |
| C06 | H15 | sing | 1.08Å | 1.08Å | |
| C08 | H16 | sing | 1.08Å | 1.08Å | |
| C11 | H17 | sing | 1.08Å | 1.08Å | |
| O24 | H18 | sing | 0.97Å | 0.95Å | |
| C25 | H19 | sing | 1.09Å | 1.10Å | |
| C25 | H20 | sing | 1.09Å | 1.10Å | |
| O26 | H21 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C13 | N12 | C14 | 117.2° | 118.0° |
| C13 | N12 | C11 | 117.4° | 117.9° |
| N12 | C13 | H1 | 109.5° | 109.5° |
| N12 | C13 | H2 | 109.5° | 109.5° |
| N12 | C13 | H3 | 109.4° | 109.4° |
| C14 | N12 | C11 | 125.4° | 124.1° |
| N12 | C14 | O15 | 122.5° | 119.2° |
| N12 | C14 | C02 | 115.6° | 121.6° |
| N12 | C11 | C10 | 124.7° | 126.5° |
| N12 | C11 | H17 | 117.6° | 116.8° |
| O15 | C14 | C02 | 121.9° | 119.2° |
| C14 | C02 | C01 | 113.0° | 109.5° |
| C14 | C02 | C04 | 108.9° | 109.7° |
| C14 | C02 | H13 | 106.3° | 109.3° |
| C11 | C10 | C16 | 117.6° | 117.2° |
| C11 | C10 | C09 | 125.3° | 125.5° |
| C10 | C11 | H17 | 117.6° | 116.8° |
| C01 | C02 | C04 | 115.3° | 109.5° |
| C02 | C01 | H10 | 109.5° | 109.4° |
| C02 | C01 | H11 | 109.5° | 109.4° |
| C02 | C01 | H12 | 109.5° | 109.4° |
| C01 | C02 | H13 | 106.2° | 109.4° |
| C02 | C04 | C09 | 118.8° | 120.6° |
| C02 | C04 | C05 | 122.8° | 119.4° |
| C04 | C02 | H13 | 106.4° | 109.4° |
| C20 | N19 | C21 | 127.7° | 125.9° |
| C20 | N19 | N18 | 119.6° | 125.9° |
| N19 | C20 | H5 | 109.5° | 109.5° |
| N19 | C20 | H6 | 109.5° | 109.5° |
| N19 | C20 | H7 | 109.5° | 109.5° |
| N19 | C21 | C16 | 106.9° | 107.6° |
| C21 | N19 | N18 | 112.6° | 108.2° |
| N19 | C21 | H8 | 126.6° | 126.3° |
| C21 | C16 | C10 | 127.5° | 126.2° |
| C21 | C16 | C17 | 103.8° | 107.5° |
| C16 | C21 | H8 | 126.6° | 126.1° |
| N19 | N18 | C17 | 104.5° | 108.6° |
| C16 | C10 | C09 | 116.7° | 117.3° |
| C10 | C16 | C17 | 128.7° | 126.3° |
| C10 | C09 | C04 | 122.0° | 121.4° |
| C10 | C09 | C08 | 117.2° | 119.2° |
| C16 | C17 | N18 | 112.2° | 108.2° |
| C16 | C17 | H4 | 123.9° | 125.9° |
| N18 | C17 | H4 | 123.9° | 125.9° |
| C09 | C04 | C05 | 118.5° | 120.0° |
| C04 | C09 | C08 | 120.8° | 119.4° |
| C04 | C05 | C06 | 120.7° | 120.3° |
| C04 | C05 | H14 | 119.7° | 119.8° |
| C09 | C08 | C07 | 119.8° | 120.1° |
| C09 | C08 | H16 | 120.1° | 119.9° |
| C05 | C06 | C07 | 121.2° | 120.1° |
| C06 | C05 | H14 | 119.6° | 119.9° |
| C05 | C06 | H15 | 119.4° | 120.0° |
| C08 | C07 | C06 | 119.1° | 120.1° |
| C08 | C07 | C22 | 120.5° | 120.0° |
| C07 | C08 | H16 | 120.1° | 120.0° |
| C06 | C07 | C22 | 120.4° | 119.9° |
| C07 | C06 | H15 | 119.4° | 119.9° |
| C07 | C22 | O24 | 110.9° | 109.5° |
| C07 | C22 | C25 | 113.0° | 109.5° |
| C07 | C22 | H9 | 106.8° | 109.4° |
| O24 | C22 | C25 | 111.0° | 109.5° |
| O24 | C22 | H9 | 107.9° | 109.5° |
| C22 | O24 | H18 | 109.5° | 113.9° |
| C22 | C25 | O26 | 108.7° | 109.5° |
| C25 | C22 | H9 | 106.8° | 109.4° |
| C22 | C25 | H19 | 109.7° | 109.4° |
| C22 | C25 | H20 | 109.7° | 109.5° |
| O26 | C25 | H19 | 109.6° | 109.5° |
| O26 | C25 | H20 | 109.7° | 109.5° |
| C25 | O26 | H21 | 109.5° | 114.0° |
| H1 | C13 | H2 | 109.5° | 109.5° |
| H1 | C13 | H3 | 109.4° | 109.6° |
| H2 | C13 | H3 | 109.5° | 109.4° |
| H5 | C20 | H6 | 109.4° | 109.5° |
| H5 | C20 | H7 | 109.4° | 109.4° |
| H6 | C20 | H7 | 109.5° | 109.5° |
| H10 | C01 | H11 | 109.4° | 109.5° |
| H10 | C01 | H12 | 109.5° | 109.5° |
| H11 | C01 | H12 | 109.5° | 109.5° |
| H19 | C25 | H20 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C13 | N12 | C14 | C11 | 178.4° | 180.0° |
| C13 | N12 | C14 | O15 | 0.6° | 2.1° |
| C13 | N12 | C14 | C02 | 179.8° | 178.3° |
| C13 | N12 | C11 | C10 | 134.7° | 137.7° |
| N12 | C13 | H1 | H2 | 120.0° | 120.0° |
| N12 | C13 | H1 | H3 | 120.0° | 120.0° |
| N12 | C13 | H2 | H3 | 120.0° | 119.9° |
| C13 | N12 | C11 | H17 | 45.3° | 42.4° |
| N12 | C14 | O15 | C02 | 179.6° | 179.6° |
| C14 | N12 | C11 | C10 | 43.7° | 42.3° |
| N12 | C14 | C02 | C01 | 159.0° | 56.6° |
| N12 | C14 | C02 | C04 | 71.4° | 63.6° |
| C14 | N12 | C13 | H1 | 180.0° | 90.0° |
| C14 | N12 | C13 | H2 | 60.0° | 149.9° |
| C14 | N12 | C13 | H3 | 60.0° | 30.0° |
| N12 | C14 | C02 | H13 | 42.9° | 176.4° |
| C14 | N12 | C11 | H17 | 136.3° | 137.6° |
| C11 | N12 | C14 | O15 | 179.0° | 177.9° |
| C11 | N12 | C14 | C02 | 1.4° | 1.7° |
| N12 | C11 | C10 | H17 | 180.0° | 179.9° |
| N12 | C11 | C10 | C16 | 176.9° | 179.0° |
| N12 | C11 | C10 | C09 | 5.0° | 1.2° |
| C11 | N12 | C13 | H1 | 1.4° | 89.9° |
| C11 | N12 | C13 | H2 | 121.5° | 30.1° |
| C11 | N12 | C13 | H3 | 118.5° | 150.0° |
| O15 | C14 | C02 | C01 | 20.6° | 123.1° |
| O15 | C14 | C02 | C04 | 109.0° | 116.8° |
| O15 | C14 | C02 | H13 | 136.7° | 3.2° |
| C14 | C02 | C01 | C04 | 126.2° | 120.3° |
| C14 | C02 | C01 | H13 | 116.2° | 119.8° |
| C14 | C02 | C04 | H13 | 114.2° | 119.9° |
| C14 | C02 | C04 | C09 | 69.8° | 62.0° |
| C14 | C02 | C04 | C05 | 109.9° | 118.0° |
| C14 | C02 | C01 | H10 | 180.0° | 60.3° |
| C14 | C02 | C01 | H11 | 60.0° | 59.8° |
| C14 | C02 | C01 | H12 | 60.0° | 179.7° |
| C11 | C10 | C16 | C21 | 27.4° | 64.8° |
| C11 | C10 | C16 | C09 | 172.6° | 179.8° |
| C11 | C10 | C16 | C17 | 154.5° | 115.2° |
| C11 | C10 | C09 | C04 | 37.0° | 39.4° |
| C11 | C10 | C09 | C08 | 141.0° | 140.8° |
| C01 | C02 | C04 | H13 | 117.5° | 119.9° |
| C01 | C02 | C04 | C09 | 162.0° | 58.1° |
| C01 | C02 | C04 | C05 | 18.4° | 121.9° |
| C02 | C01 | H10 | H11 | 120.0° | 120.0° |
| C02 | C01 | H10 | H12 | 120.0° | 120.0° |
| C02 | C01 | H11 | H12 | 120.0° | 119.9° |
| C02 | C04 | C09 | C10 | 1.1° | 0.7° |
| C02 | C04 | C09 | C05 | 179.6° | 180.0° |
| C02 | C04 | C09 | C08 | 179.1° | 179.5° |
| C02 | C04 | C05 | C06 | 179.9° | 179.7° |
| C04 | C02 | C01 | H10 | 53.7° | 60.0° |
| C04 | C02 | C01 | H11 | 66.2° | 180.0° |
| C04 | C02 | C01 | H12 | 173.8° | 60.0° |
| C02 | C04 | C05 | H14 | 0.1° | 0.4° |
| C20 | N19 | C21 | N18 | 179.4° | 179.9° |
| C20 | N19 | C21 | C16 | 179.3° | 179.9° |
| C20 | N19 | N18 | C17 | 179.8° | 179.7° |
| N19 | C20 | H5 | H6 | 120.0° | 120.0° |
| N19 | C20 | H5 | H7 | 120.0° | 120.0° |
| N19 | C20 | H6 | H7 | 120.0° | 120.0° |
| C20 | N19 | C21 | H8 | 0.7° | 0.1° |
| N19 | C21 | C16 | H8 | 180.0° | 180.0° |
| N19 | C21 | C16 | C10 | 179.0° | 179.9° |
| N19 | C21 | C16 | C17 | 0.5° | 0.2° |
| C21 | N19 | N18 | C17 | 0.4° | 0.2° |
| C21 | N19 | C20 | H5 | 179.4° | 90.0° |
| C21 | N19 | C20 | H6 | 59.4° | 150.0° |
| C21 | N19 | C20 | H7 | 60.7° | 29.9° |
| C16 | C21 | N19 | N18 | 0.1° | 0.0° |
| C21 | C16 | C10 | C17 | 178.1° | 180.0° |
| C21 | C16 | C10 | C09 | 160.0° | 115.0° |
| C21 | C16 | C17 | N18 | 0.7° | 0.3° |
| C21 | C16 | C17 | H4 | 179.2° | 179.9° |
| N19 | N18 | C17 | C16 | 0.7° | 0.3° |
| N19 | N18 | C17 | H4 | 179.3° | 179.9° |
| N18 | N19 | C20 | H5 | 0.0° | 90.1° |
| N18 | N19 | C20 | H6 | 120.0° | 29.9° |
| N18 | N19 | C20 | H7 | 120.0° | 150.0° |
| N18 | N19 | C21 | H8 | 179.9° | 180.0° |
| C10 | C16 | C17 | N18 | 179.2° | 179.7° |
| C16 | C10 | C09 | C04 | 134.9° | 140.4° |
| C16 | C10 | C09 | C08 | 47.0° | 39.5° |
| C10 | C16 | C17 | H4 | 0.8° | 0.1° |
| C10 | C16 | C21 | H8 | 1.0° | 0.2° |
| C16 | C10 | C11 | H17 | 3.1° | 1.1° |
| C09 | C10 | C16 | C17 | 18.1° | 65.0° |
| C10 | C09 | C04 | C08 | 178.0° | 179.9° |
| C10 | C09 | C04 | C05 | 178.5° | 179.3° |
| C10 | C09 | C08 | C07 | 178.9° | 179.5° |
| C10 | C09 | C08 | H16 | 1.0° | 0.5° |
| C09 | C10 | C11 | H17 | 175.0° | 178.7° |
| C16 | C17 | N18 | H4 | 180.0° | 179.7° |
| C17 | C16 | C21 | H8 | 179.5° | 179.8° |
| C09 | C04 | C05 | C06 | 0.3° | 0.3° |
| C04 | C09 | C08 | C07 | 0.8° | 0.3° |
| C09 | C04 | C02 | H13 | 44.5° | 178.0° |
| C09 | C04 | C05 | H14 | 179.7° | 179.6° |
| C04 | C09 | C08 | H16 | 179.1° | 179.6° |
| C05 | C04 | C09 | C08 | 0.5° | 0.5° |
| C04 | C05 | C06 | H14 | 180.0° | 179.9° |
| C04 | C05 | C06 | C07 | 0.7° | 0.1° |
| C05 | C04 | C02 | H13 | 135.9° | 1.9° |
| C04 | C05 | C06 | H15 | 179.3° | 179.9° |
| C09 | C08 | C07 | H16 | 180.0° | 179.9° |
| C09 | C08 | C07 | C06 | 0.4° | 0.1° |
| C09 | C08 | C07 | C22 | 178.7° | 180.0° |
| C05 | C06 | C07 | C08 | 0.4° | 0.3° |
| C05 | C06 | C07 | H15 | 180.0° | 180.0° |
| C05 | C06 | C07 | C22 | 179.5° | 179.8° |
| C08 | C07 | C06 | C22 | 179.1° | 179.9° |
| C08 | C07 | C22 | O24 | 53.3° | 144.9° |
| C08 | C07 | C22 | C25 | 72.1° | 95.0° |
| C08 | C07 | C22 | H9 | 170.7° | 24.9° |
| C08 | C07 | C06 | H15 | 179.6° | 179.7° |
| C06 | C07 | C22 | O24 | 125.8° | 35.0° |
| C06 | C07 | C22 | C25 | 108.8° | 85.0° |
| C06 | C07 | C22 | H9 | 8.4° | 155.0° |
| C07 | C06 | C05 | H14 | 179.3° | 180.0° |
| C06 | C07 | C08 | H16 | 179.6° | 180.0° |
| C07 | C22 | O24 | C25 | 126.5° | 120.0° |
| C07 | C22 | O24 | H9 | 116.7° | 120.0° |
| C07 | C22 | C25 | H9 | 117.2° | 120.0° |
| C07 | C22 | C25 | O26 | 179.4° | 175.0° |
| C22 | C07 | C06 | H15 | 0.5° | 0.2° |
| C22 | C07 | C08 | H16 | 1.3° | 0.1° |
| C07 | C22 | O24 | H18 | 180.0° | 60.0° |
| C07 | C22 | C25 | H19 | 60.8° | 65.0° |
| C07 | C22 | C25 | H20 | 59.5° | 55.0° |
| O24 | C22 | C25 | H9 | 117.4° | 120.0° |
| O24 | C22 | C25 | O26 | 55.3° | 65.0° |
| O24 | C22 | C25 | H19 | 64.6° | 55.0° |
| O24 | C22 | C25 | H20 | 175.1° | 175.0° |
| C22 | C25 | O26 | H19 | 119.9° | 120.0° |
| C22 | C25 | O26 | H20 | 119.9° | 120.0° |
| C25 | C22 | O24 | H18 | 53.5° | 60.0° |
| C22 | C25 | H19 | H20 | 120.4° | 120.0° |
| C22 | C25 | O26 | H21 | 180.0° | 180.0° |
| O26 | C25 | C22 | H9 | 62.2° | 55.0° |
| O26 | C25 | H19 | H20 | 120.4° | 120.0° |
| H1 | C13 | H2 | H3 | 120.0° | 120.1° |
| H5 | C20 | H6 | H7 | 119.9° | 120.0° |
| H9 | C22 | O24 | H18 | 63.3° | 180.0° |
| H9 | C22 | C25 | H19 | 178.0° | 175.0° |
| H9 | C22 | C25 | H20 | 57.7° | 65.0° |
| H10 | C01 | H11 | H12 | 120.0° | 120.1° |
| H10 | C01 | C02 | H13 | 63.8° | 179.9° |
| H11 | C01 | C02 | H13 | 176.2° | 60.1° |
| H12 | C01 | C02 | H13 | 56.2° | 59.9° |
| H14 | C05 | C06 | H15 | 0.8° | 0.0° |
| H19 | C25 | O26 | H21 | 60.2° | 60.0° |
| H20 | C25 | O26 | H21 | 60.1° | 60.0° |
