P8K
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C13 | C14 | sing | 1.53Å | 1.55Å | |
| C13 | C12 | sing | 1.53Å | 1.53Å | |
| C11 | C12 | sing | 1.53Å | 1.55Å | |
| C11 | C03 | sing | 1.53Å | 1.53Å | |
| C03 | C02 | sing | 1.53Å | 1.53Å | |
| C02 | P01 | sing | 1.82Å | 1.86Å | |
| O01 | P01 | doub | 1.48Å | 1.48Å | |
| P01 | O02 | sing | 1.61Å | 1.65Å | |
| O02 | C05 | sing | 1.43Å | 1.42Å | |
| C05 | C01 | sing | 1.53Å | 1.57Å | |
| C01 | C04 | sing | 1.53Å | 1.53Å | |
| C04 | C06 | sing | 1.53Å | 1.56Å | |
| C06 | C07 | sing | 1.53Å | 1.56Å | |
| C07 | C08 | sing | 1.53Å | 1.58Å | |
| C08 | C09 | sing | 1.53Å | 1.55Å | |
| C10 | C09 | sing | 1.53Å | 1.59Å | |
| C10 | H1 | sing | 1.09Å | 1.10Å | |
| C10 | H2 | sing | 1.09Å | 1.10Å | |
| C10 | H3 | sing | 1.09Å | 1.10Å | |
| C13 | H4 | sing | 1.09Å | 1.10Å | |
| C13 | H5 | sing | 1.09Å | 1.10Å | |
| C01 | H6 | sing | 1.09Å | 1.10Å | |
| C01 | H7 | sing | 1.09Å | 1.10Å | |
| C02 | H9 | sing | 1.09Å | 1.10Å | |
| C02 | H10 | sing | 1.09Å | 1.10Å | |
| C03 | H11 | sing | 1.09Å | 1.10Å | |
| C03 | H12 | sing | 1.09Å | 1.10Å | |
| C04 | H13 | sing | 1.09Å | 1.10Å | |
| C04 | H14 | sing | 1.09Å | 1.10Å | |
| C05 | H15 | sing | 1.09Å | 1.10Å | |
| C05 | H16 | sing | 1.09Å | 1.10Å | |
| C06 | H17 | sing | 1.09Å | 1.10Å | |
| C06 | H18 | sing | 1.09Å | 1.10Å | |
| C07 | H19 | sing | 1.09Å | 1.10Å | |
| C07 | H20 | sing | 1.09Å | 1.10Å | |
| C08 | H21 | sing | 1.09Å | 1.10Å | |
| C08 | H22 | sing | 1.09Å | 1.10Å | |
| C09 | H23 | sing | 1.09Å | 1.10Å | |
| C09 | H24 | sing | 1.09Å | 1.10Å | |
| C11 | H25 | sing | 1.09Å | 1.10Å | |
| C11 | H26 | sing | 1.09Å | 1.10Å | |
| C12 | H27 | sing | 1.09Å | 1.10Å | |
| C12 | H28 | sing | 1.09Å | 1.10Å | |
| C14 | H29 | sing | 1.09Å | 1.10Å | |
| C14 | H30 | sing | 1.09Å | 1.10Å | |
| C14 | H31 | sing | 1.09Å | 1.10Å | |
| P01 | O1 | sing | 1.61Å | 1.64Å | |
| O1 | H8 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C14 | C13 | C12 | 108.4° | 109.5° |
| C14 | C13 | H4 | 109.7° | 109.5° |
| C14 | C13 | H5 | 109.7° | 109.5° |
| C13 | C14 | H29 | 109.5° | 109.5° |
| C13 | C14 | H30 | 109.5° | 109.4° |
| C13 | C14 | H31 | 109.5° | 109.5° |
| C13 | C12 | C11 | 112.0° | 109.5° |
| C12 | C13 | H4 | 109.8° | 109.5° |
| C12 | C13 | H5 | 109.8° | 109.4° |
| C13 | C12 | H27 | 108.8° | 109.5° |
| C13 | C12 | H28 | 108.8° | 109.5° |
| C12 | C11 | C03 | 109.4° | 109.5° |
| C12 | C11 | H25 | 109.5° | 109.4° |
| C12 | C11 | H26 | 109.5° | 109.4° |
| C11 | C12 | H27 | 108.8° | 109.4° |
| C11 | C12 | H28 | 108.8° | 109.4° |
| C11 | C03 | C02 | 109.9° | 109.5° |
| C11 | C03 | H11 | 109.4° | 109.5° |
| C11 | C03 | H12 | 109.4° | 109.5° |
| C03 | C11 | H25 | 109.5° | 109.5° |
| C03 | C11 | H26 | 109.5° | 109.5° |
| C03 | C02 | P01 | 108.9° | 109.5° |
| C03 | C02 | H9 | 109.6° | 109.4° |
| C03 | C02 | H10 | 109.6° | 109.4° |
| C02 | C03 | H11 | 109.3° | 109.4° |
| C02 | C03 | H12 | 109.3° | 109.4° |
| C02 | P01 | O01 | 108.5° | 109.5° |
| C02 | P01 | O02 | 111.1° | 109.5° |
| P01 | C02 | H9 | 109.6° | 109.5° |
| P01 | C02 | H10 | 109.6° | 109.5° |
| C02 | P01 | O1 | 108.7° | 109.4° |
| O01 | P01 | O02 | 111.9° | 109.5° |
| O01 | P01 | O1 | 108.2° | 109.5° |
| P01 | O02 | C05 | 119.5° | 123.0° |
| O02 | P01 | O1 | 108.2° | 109.4° |
| O02 | C05 | C01 | 113.7° | 109.5° |
| O02 | C05 | H15 | 108.4° | 109.5° |
| O02 | C05 | H16 | 108.4° | 109.5° |
| C05 | C01 | C04 | 110.5° | 109.5° |
| C05 | C01 | H6 | 109.2° | 109.4° |
| C05 | C01 | H7 | 109.2° | 109.5° |
| C01 | C05 | H15 | 108.4° | 109.5° |
| C01 | C05 | H16 | 108.4° | 109.5° |
| C01 | C04 | C06 | 111.6° | 109.5° |
| C04 | C01 | H6 | 109.2° | 109.4° |
| C04 | C01 | H7 | 109.2° | 109.5° |
| C01 | C04 | H13 | 109.0° | 109.4° |
| C01 | C04 | H14 | 108.9° | 109.4° |
| C04 | C06 | C07 | 111.0° | 109.5° |
| C06 | C04 | H13 | 108.9° | 109.5° |
| C06 | C04 | H14 | 108.9° | 109.5° |
| C04 | C06 | H17 | 109.1° | 109.5° |
| C04 | C06 | H18 | 109.1° | 109.4° |
| C06 | C07 | C08 | 111.7° | 109.5° |
| C07 | C06 | H17 | 109.1° | 109.5° |
| C07 | C06 | H18 | 109.1° | 109.4° |
| C06 | C07 | H19 | 108.9° | 109.4° |
| C06 | C07 | H20 | 108.9° | 109.5° |
| C07 | C08 | C09 | 114.0° | 109.4° |
| C08 | C07 | H19 | 108.9° | 109.5° |
| C08 | C07 | H20 | 108.9° | 109.5° |
| C07 | C08 | H21 | 108.3° | 109.5° |
| C07 | C08 | H22 | 108.3° | 109.5° |
| C08 | C09 | C10 | 112.4° | 109.5° |
| C09 | C08 | H21 | 108.3° | 109.4° |
| C09 | C08 | H22 | 108.3° | 109.4° |
| C08 | C09 | H23 | 108.7° | 109.5° |
| C08 | C09 | H24 | 108.8° | 109.5° |
| C09 | C10 | H1 | 109.5° | 109.4° |
| C09 | C10 | H2 | 109.5° | 109.4° |
| C09 | C10 | H3 | 109.5° | 109.5° |
| C10 | C09 | H23 | 108.7° | 109.5° |
| C10 | C09 | H24 | 108.7° | 109.5° |
| H1 | C10 | H2 | 109.5° | 109.5° |
| H1 | C10 | H3 | 109.5° | 109.5° |
| H2 | C10 | H3 | 109.5° | 109.5° |
| H4 | C13 | H5 | 109.5° | 109.5° |
| H6 | C01 | H7 | 109.5° | 109.5° |
| H9 | C02 | H10 | 109.5° | 109.5° |
| H11 | C03 | H12 | 109.5° | 109.5° |
| H13 | C04 | H14 | 109.5° | 109.5° |
| H15 | C05 | H16 | 109.5° | 109.4° |
| H17 | C06 | H18 | 109.5° | 109.5° |
| H19 | C07 | H20 | 109.5° | 109.4° |
| H21 | C08 | H22 | 109.5° | 109.5° |
| H23 | C09 | H24 | 109.5° | 109.4° |
| H25 | C11 | H26 | 109.5° | 109.5° |
| H27 | C12 | H28 | 109.5° | 109.5° |
| H29 | C14 | H30 | 109.4° | 109.5° |
| H29 | C14 | H31 | 109.5° | 109.4° |
| H30 | C14 | H31 | 109.5° | 109.5° |
| P01 | O1 | H8 | 109.5° | 114.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C14 | C13 | C12 | H4 | 119.8° | 120.1° |
| C14 | C13 | C12 | H5 | 119.8° | 120.0° |
| C14 | C13 | C12 | C11 | 177.2° | 180.0° |
| C14 | C13 | H4 | H5 | 120.5° | 120.0° |
| C14 | C13 | C12 | H27 | 56.8° | 60.1° |
| C14 | C13 | C12 | H28 | 62.4° | 60.0° |
| C13 | C14 | H29 | H30 | 120.0° | 120.0° |
| C13 | C14 | H29 | H31 | 120.0° | 120.0° |
| C13 | C14 | H30 | H31 | 120.0° | 120.0° |
| C13 | C12 | C11 | H27 | 120.4° | 120.0° |
| C13 | C12 | C11 | H28 | 120.4° | 120.0° |
| C13 | C12 | C11 | C03 | 179.0° | 180.0° |
| C12 | C13 | H4 | H5 | 120.5° | 119.9° |
| C13 | C12 | C11 | H25 | 61.0° | 59.9° |
| C13 | C12 | C11 | H26 | 59.0° | 60.0° |
| C13 | C12 | H27 | H28 | 118.8° | 120.1° |
| C12 | C13 | C14 | H29 | 180.0° | 60.0° |
| C12 | C13 | C14 | H30 | 60.0° | 60.0° |
| C12 | C13 | C14 | H31 | 60.0° | 180.0° |
| C12 | C11 | C03 | H25 | 120.0° | 120.0° |
| C12 | C11 | C03 | H26 | 120.0° | 120.0° |
| C12 | C11 | C03 | C02 | 78.0° | 180.0° |
| C11 | C12 | C13 | H4 | 63.0° | 59.9° |
| C11 | C12 | C13 | H5 | 57.3° | 60.0° |
| C12 | C11 | C03 | H11 | 42.1° | 60.0° |
| C12 | C11 | C03 | H12 | 162.0° | 60.0° |
| C12 | C11 | H25 | H26 | 120.0° | 119.9° |
| C11 | C12 | H27 | H28 | 118.8° | 119.9° |
| C11 | C03 | C02 | H11 | 120.1° | 120.0° |
| C11 | C03 | C02 | H12 | 120.1° | 120.0° |
| C11 | C03 | C02 | P01 | 171.2° | 180.0° |
| C11 | C03 | C02 | H9 | 51.3° | 60.0° |
| C11 | C03 | C02 | H10 | 68.8° | 60.0° |
| C11 | C03 | H11 | H12 | 119.8° | 120.1° |
| C03 | C11 | H25 | H26 | 120.0° | 120.1° |
| C03 | C11 | C12 | H27 | 58.6° | 60.0° |
| C03 | C11 | C12 | H28 | 60.6° | 60.0° |
| C03 | C02 | P01 | H9 | 119.9° | 120.0° |
| C03 | C02 | P01 | H10 | 119.9° | 120.0° |
| C03 | C02 | P01 | O01 | 57.9° | 55.0° |
| C03 | C02 | P01 | O02 | 178.6° | 175.0° |
| C03 | C02 | H9 | H10 | 120.3° | 119.9° |
| C02 | C03 | H11 | H12 | 119.8° | 119.9° |
| C02 | C03 | C11 | H25 | 162.0° | 60.0° |
| C02 | C03 | C11 | H26 | 42.0° | 60.0° |
| C03 | C02 | P01 | O1 | 59.7° | 65.0° |
| C02 | P01 | O01 | O02 | 122.9° | 120.0° |
| C02 | P01 | O01 | O1 | 117.9° | 120.0° |
| C02 | P01 | O02 | O1 | 119.3° | 120.0° |
| C02 | P01 | O02 | C05 | 111.1° | 175.0° |
| P01 | C02 | H9 | H10 | 120.2° | 120.0° |
| P01 | C02 | C03 | H11 | 68.7° | 60.0° |
| P01 | C02 | C03 | H12 | 51.2° | 60.0° |
| C02 | P01 | O1 | H8 | 117.7° | 60.0° |
| O01 | P01 | O02 | O1 | 119.2° | 120.0° |
| O01 | P01 | O02 | C05 | 10.4° | 55.0° |
| O01 | P01 | C02 | H9 | 177.8° | 65.0° |
| O01 | P01 | C02 | H10 | 62.1° | 175.0° |
| O01 | P01 | O1 | H8 | 0.0° | 180.0° |
| P01 | O02 | C05 | C01 | 160.0° | 180.0° |
| O02 | P01 | C02 | H9 | 58.7° | 55.0° |
| O02 | P01 | C02 | H10 | 61.4° | 65.0° |
| P01 | O02 | C05 | H15 | 79.3° | 60.0° |
| P01 | O02 | C05 | H16 | 39.4° | 60.0° |
| O02 | P01 | O1 | H8 | 121.5° | 60.0° |
| O02 | C05 | C01 | H15 | 120.6° | 120.0° |
| O02 | C05 | C01 | H16 | 120.6° | 120.0° |
| O02 | C05 | C01 | C04 | 118.7° | 180.0° |
| O02 | C05 | C01 | H6 | 1.5° | 60.0° |
| O02 | C05 | C01 | H7 | 121.2° | 60.0° |
| O02 | C05 | H15 | H16 | 118.1° | 120.0° |
| C05 | O02 | P01 | O1 | 129.6° | 65.0° |
| C05 | C01 | C04 | H6 | 120.1° | 120.0° |
| C05 | C01 | C04 | H7 | 120.1° | 120.0° |
| C05 | C01 | C04 | C06 | 131.2° | 180.0° |
| C05 | C01 | H6 | H7 | 119.5° | 120.0° |
| C05 | C01 | C04 | H13 | 108.5° | 60.0° |
| C05 | C01 | C04 | H14 | 10.9° | 60.0° |
| C01 | C05 | H15 | H16 | 118.1° | 120.0° |
| C01 | C04 | C06 | H13 | 120.3° | 120.0° |
| C01 | C04 | C06 | H14 | 120.3° | 120.0° |
| C01 | C04 | C06 | C07 | 155.3° | 180.0° |
| C04 | C01 | H6 | H7 | 119.6° | 120.0° |
| C01 | C04 | H13 | H14 | 119.0° | 119.9° |
| C04 | C01 | C05 | H15 | 120.7° | 60.0° |
| C04 | C01 | C05 | H16 | 1.9° | 60.0° |
| C01 | C04 | C06 | H17 | 84.5° | 60.0° |
| C01 | C04 | C06 | H18 | 35.0° | 60.0° |
| C04 | C06 | C07 | H17 | 120.2° | 120.0° |
| C04 | C06 | C07 | H18 | 120.2° | 120.0° |
| C04 | C06 | C07 | C08 | 6.5° | 180.0° |
| C06 | C04 | C01 | H6 | 11.1° | 60.0° |
| C06 | C04 | C01 | H7 | 108.6° | 60.0° |
| C06 | C04 | H13 | H14 | 119.0° | 120.0° |
| C04 | C06 | H17 | H18 | 119.3° | 120.0° |
| C04 | C06 | C07 | H19 | 113.9° | 59.9° |
| C04 | C06 | C07 | H20 | 126.8° | 60.0° |
| C06 | C07 | C08 | H19 | 120.3° | 120.0° |
| C06 | C07 | C08 | H20 | 120.3° | 120.0° |
| C06 | C07 | C08 | C09 | 162.1° | 180.0° |
| C07 | C06 | C04 | H13 | 34.9° | 60.0° |
| C07 | C06 | C04 | H14 | 84.4° | 60.0° |
| C07 | C06 | H17 | H18 | 119.3° | 120.0° |
| C06 | C07 | H19 | H20 | 119.0° | 120.0° |
| C06 | C07 | C08 | H21 | 77.2° | 60.0° |
| C06 | C07 | C08 | H22 | 41.4° | 60.1° |
| C07 | C08 | C09 | H21 | 120.7° | 120.0° |
| C07 | C08 | C09 | H22 | 120.7° | 120.0° |
| C07 | C08 | C09 | C10 | 140.0° | 180.0° |
| C08 | C07 | C06 | H17 | 126.7° | 60.0° |
| C08 | C07 | C06 | H18 | 113.7° | 60.0° |
| C08 | C07 | H19 | H20 | 119.0° | 120.0° |
| C07 | C08 | H21 | H22 | 117.9° | 120.1° |
| C07 | C08 | C09 | H23 | 19.6° | 60.0° |
| C07 | C08 | C09 | H24 | 99.6° | 60.0° |
| C08 | C09 | C10 | H23 | 120.4° | 120.0° |
| C08 | C09 | C10 | H24 | 120.5° | 120.0° |
| C08 | C09 | C10 | H1 | 180.0° | 60.0° |
| C08 | C09 | C10 | H2 | 60.0° | 180.0° |
| C08 | C09 | C10 | H3 | 60.0° | 60.0° |
| C09 | C08 | C07 | H19 | 41.8° | 60.0° |
| C09 | C08 | C07 | H20 | 77.6° | 60.0° |
| C09 | C08 | H21 | H22 | 117.9° | 120.0° |
| C08 | C09 | H23 | H24 | 118.7° | 120.0° |
| C09 | C10 | H1 | H2 | 120.0° | 120.0° |
| C09 | C10 | H1 | H3 | 120.0° | 120.0° |
| C09 | C10 | H2 | H3 | 120.0° | 120.0° |
| C10 | C09 | C08 | H21 | 99.4° | 60.0° |
| C10 | C09 | C08 | H22 | 19.3° | 60.0° |
| C10 | C09 | H23 | H24 | 118.7° | 120.0° |
| H1 | C10 | H2 | H3 | 120.0° | 120.0° |
| H1 | C10 | C09 | H23 | 59.6° | 180.0° |
| H1 | C10 | C09 | H24 | 59.5° | 60.0° |
| H2 | C10 | C09 | H23 | 179.6° | 60.0° |
| H2 | C10 | C09 | H24 | 60.5° | 60.0° |
| H3 | C10 | C09 | H23 | 60.4° | 60.1° |
| H3 | C10 | C09 | H24 | 179.5° | 180.0° |
| H4 | C13 | C12 | H27 | 176.6° | 60.0° |
| H4 | C13 | C12 | H28 | 57.4° | 179.9° |
| H4 | C13 | C14 | H29 | 60.2° | 180.0° |
| H4 | C13 | C14 | H30 | 59.8° | 60.0° |
| H4 | C13 | C14 | H31 | 179.8° | 60.0° |
| H5 | C13 | C12 | H27 | 63.1° | 180.0° |
| H5 | C13 | C12 | H28 | 177.7° | 60.0° |
| H5 | C13 | C14 | H29 | 60.1° | 60.0° |
| H5 | C13 | C14 | H30 | 179.9° | 180.0° |
| H5 | C13 | C14 | H31 | 59.9° | 60.0° |
| H6 | C01 | C04 | H13 | 131.4° | 60.0° |
| H6 | C01 | C04 | H14 | 109.2° | 179.9° |
| H6 | C01 | C05 | H15 | 119.2° | 180.0° |
| H6 | C01 | C05 | H16 | 122.1° | 60.0° |
| H7 | C01 | C04 | H13 | 11.7° | 180.0° |
| H7 | C01 | C04 | H14 | 131.1° | 60.1° |
| H7 | C01 | C05 | H15 | 0.5° | 60.1° |
| H7 | C01 | C05 | H16 | 118.2° | 180.0° |
| H9 | C02 | C03 | H11 | 171.4° | 180.0° |
| H9 | C02 | C03 | H12 | 68.7° | 60.1° |
| H9 | C02 | P01 | O1 | 60.3° | 175.0° |
| H10 | C02 | C03 | H11 | 51.2° | 60.0° |
| H10 | C02 | C03 | H12 | 171.1° | 180.0° |
| H10 | C02 | P01 | O1 | 179.6° | 55.0° |
| H11 | C03 | C11 | H25 | 77.9° | 180.0° |
| H11 | C03 | C11 | H26 | 162.0° | 59.9° |
| H12 | C03 | C11 | H25 | 42.0° | 60.0° |
| H12 | C03 | C11 | H26 | 78.1° | NaN° |
| H13 | C04 | C06 | H17 | 155.2° | 180.0° |
| H13 | C04 | C06 | H18 | 85.3° | 60.0° |
| H14 | C04 | C06 | H17 | 35.8° | 60.0° |
| H14 | C04 | C06 | H18 | 155.3° | 180.0° |
| H17 | C06 | C07 | H19 | 6.4° | 180.0° |
| H17 | C06 | C07 | H20 | 112.9° | 60.0° |
| H18 | C06 | C07 | H19 | 125.9° | 60.0° |
| H18 | C06 | C07 | H20 | 6.6° | 180.0° |
| H19 | C07 | C08 | H21 | 162.4° | 180.0° |
| H19 | C07 | C08 | H22 | 78.9° | 59.9° |
| H20 | C07 | C08 | H21 | 43.1° | 60.0° |
| H20 | C07 | C08 | H22 | 161.7° | 179.9° |
| H21 | C08 | C09 | H23 | 140.2° | 60.0° |
| H21 | C08 | C09 | H24 | 21.1° | 180.0° |
| H22 | C08 | C09 | H23 | 101.1° | 180.0° |
| H22 | C08 | C09 | H24 | 139.7° | 60.0° |
| H25 | C11 | C12 | H27 | 178.6° | 60.1° |
| H25 | C11 | C12 | H28 | 59.4° | 180.0° |
| H26 | C11 | C12 | H27 | 61.4° | 180.0° |
| H26 | C11 | C12 | H28 | 179.4° | 60.0° |
| H29 | C14 | H30 | H31 | 120.0° | 120.0° |
