DPE
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.52Å | 1.52Å | |
| C1 | P | sing | 1.81Å | 1.63Å | |
| C1 | H11 | sing | 1.09Å | 1.11Å | |
| C1 | H12 | sing | 1.09Å | 1.11Å | |
| C2 | C3 | sing | 1.53Å | 1.52Å | |
| C2 | H21 | sing | 1.10Å | 1.12Å | |
| C2 | H22 | sing | 1.10Å | 1.12Å | |
| C3 | C4 | sing | 1.53Å | 1.52Å | |
| C3 | H31 | sing | 1.10Å | 1.12Å | |
| C3 | H32 | sing | 1.10Å | 1.11Å | |
| C4 | C5 | sing | 1.53Å | 1.52Å | |
| C4 | H41 | sing | 1.10Å | 1.11Å | |
| C4 | H42 | sing | 1.10Å | 1.11Å | |
| C5 | C6 | sing | 1.53Å | 1.52Å | |
| C5 | H51 | sing | 1.10Å | 1.11Å | |
| C5 | H52 | sing | 1.10Å | 1.12Å | |
| C6 | C7 | sing | 1.53Å | 1.52Å | |
| C6 | H61 | sing | 1.10Å | 1.12Å | |
| C6 | H62 | sing | 1.10Å | 1.11Å | |
| C7 | C8 | sing | 1.53Å | 1.52Å | |
| C7 | H71 | sing | 1.10Å | 1.11Å | |
| C7 | H72 | sing | 1.10Å | 1.12Å | |
| C8 | C9 | sing | 1.53Å | 1.52Å | |
| C8 | H81 | sing | 1.10Å | 1.11Å | |
| C8 | H82 | sing | 1.10Å | 1.12Å | |
| C9 | C10 | sing | 1.53Å | 1.52Å | |
| C9 | H91 | sing | 1.10Å | 1.11Å | |
| C9 | H92 | sing | 1.10Å | 1.11Å | |
| C10 | C11 | sing | 1.52Å | 1.52Å | |
| C10 | H101 | sing | 1.10Å | 1.11Å | |
| C10 | H102 | sing | 1.10Å | 1.12Å | |
| C11 | H111 | sing | 1.09Å | 1.11Å | |
| C11 | H112 | sing | 1.10Å | 1.12Å | |
| C11 | H113 | sing | 1.09Å | 1.11Å | |
| P | O1P | doub | 1.51Å | 1.59Å | |
| P | O2P | sing | 1.63Å | 1.62Å | |
| O2P | CM | sing | 1.42Å | 1.42Å | |
| CM | HM1 | sing | 1.09Å | 1.11Å | |
| CM | HM2 | sing | 1.09Å | 1.11Å | |
| CM | HM3 | sing | 1.09Å | 1.12Å | |
| HP1 | P | sing | 1.41Å | 1.42Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | P | 115.7° | 111.9° |
| C2 | C1 | H11 | 109.9° | 110.5° |
| C2 | C1 | H12 | 109.9° | 110.9° |
| C1 | C2 | C3 | 112.4° | 113.7° |
| C1 | C2 | H21 | 111.1° | 109.4° |
| C1 | C2 | H22 | 111.1° | 108.6° |
| P | C1 | H11 | 110.0° | 107.9° |
| P | C1 | H12 | 109.9° | 107.4° |
| C1 | P | O1P | 104.7° | 108.7° |
| C1 | P | O2P | 113.3° | 101.0° |
| C1 | P | HP1 | 110.2° | 112.2° |
| H11 | C1 | H12 | 100.3° | 108.0° |
| C3 | C2 | H21 | 111.1° | 110.1° |
| C3 | C2 | H22 | 111.1° | 108.7° |
| C2 | C3 | C4 | 111.6° | 113.4° |
| C2 | C3 | H31 | 111.4° | 109.6° |
| C2 | C3 | H32 | 111.5° | 108.1° |
| H21 | C2 | H22 | 99.2° | 106.1° |
| C4 | C3 | H31 | 111.4° | 109.7° |
| C4 | C3 | H32 | 111.4° | 109.1° |
| C3 | C4 | C5 | 111.6° | 111.2° |
| C3 | C4 | H41 | 111.4° | 109.6° |
| C3 | C4 | H42 | 111.4° | 110.1° |
| H31 | C3 | H32 | 98.9° | 106.7° |
| C5 | C4 | H41 | 111.4° | 109.5° |
| C5 | C4 | H42 | 111.4° | 109.1° |
| C4 | C5 | C6 | 111.4° | 111.3° |
| C4 | C5 | H51 | 111.5° | 109.5° |
| C4 | C5 | H52 | 111.5° | 109.5° |
| H41 | C4 | H42 | 99.0° | 107.3° |
| C6 | C5 | H51 | 111.5° | 109.6° |
| C6 | C5 | H52 | 111.5° | 109.6° |
| C5 | C6 | C7 | 111.5° | 111.2° |
| C5 | C6 | H61 | 111.4° | 109.0° |
| C5 | C6 | H62 | 111.5° | 109.6° |
| H51 | C5 | H52 | 98.9° | 107.2° |
| C7 | C6 | H61 | 111.5° | 110.1° |
| C7 | C6 | H62 | 111.5° | 109.6° |
| C6 | C7 | C8 | 111.6° | 113.4° |
| C6 | C7 | H71 | 111.4° | 109.8° |
| C6 | C7 | H72 | 111.4° | 109.0° |
| H61 | C6 | H62 | 98.9° | 107.3° |
| C8 | C7 | H71 | 111.4° | 109.6° |
| C8 | C7 | H72 | 111.4° | 108.1° |
| C7 | C8 | C9 | 111.7° | 113.4° |
| C7 | C8 | H81 | 111.4° | 108.1° |
| C7 | C8 | H82 | 111.4° | 109.6° |
| H71 | C7 | H72 | 98.9° | 106.7° |
| C9 | C8 | H81 | 111.4° | 109.0° |
| C9 | C8 | H82 | 111.4° | 109.7° |
| C8 | C9 | C10 | 111.4° | 111.2° |
| C8 | C9 | H91 | 111.4° | 109.6° |
| C8 | C9 | H92 | 111.5° | 110.1° |
| H81 | C8 | H82 | 99.0° | 106.7° |
| C10 | C9 | H91 | 111.5° | 109.5° |
| C10 | C9 | H92 | 111.5° | 109.0° |
| C9 | C10 | C11 | 110.3° | 111.5° |
| C9 | C10 | H101 | 111.9° | 109.9° |
| C9 | C10 | H102 | 111.9° | 109.8° |
| H91 | C9 | H92 | 98.9° | 107.3° |
| C11 | C10 | H101 | 111.9° | 109.1° |
| C11 | C10 | H102 | 111.9° | 109.2° |
| C10 | C11 | H111 | 110.3° | 111.0° |
| C10 | C11 | H112 | 111.9° | 111.0° |
| C10 | C11 | H113 | 111.9° | 110.2° |
| H101 | C10 | H102 | 98.5° | 107.2° |
| H111 | C11 | H112 | 111.9° | 108.4° |
| H111 | C11 | H113 | 111.9° | 108.0° |
| H112 | C11 | H113 | 98.5° | 108.1° |
| O1P | P | O2P | 109.5° | 110.5° |
| O1P | P | HP1 | 114.0° | 119.8° |
| P | O2P | CM | 123.0° | 119.0° |
| O2P | P | HP1 | 105.5° | 102.7° |
| O2P | CM | HM1 | 123.0° | 109.6° |
| O2P | CM | HM2 | 107.4° | 109.5° |
| O2P | CM | HM3 | 107.4° | 108.9° |
| HM1 | CM | HM2 | 107.4° | 110.1° |
| HM1 | CM | HM3 | 107.5° | 109.3° |
| HM2 | CM | HM3 | 102.3° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | P | H11 | 125.2° | 121.8° |
| C2 | C1 | P | H12 | 125.2° | 122.0° |
| C2 | C1 | H11 | H12 | 115.7° | 121.5° |
| C1 | C2 | C3 | H21 | 125.3° | 123.2° |
| C1 | C2 | C3 | H22 | 125.3° | 121.0° |
| C1 | C2 | H21 | H22 | 117.0° | 116.9° |
| C1 | C2 | C3 | C4 | 93.6° | 176.9° |
| C1 | C2 | C3 | H31 | 141.1° | 60.2° |
| C1 | C2 | C3 | H32 | 31.7° | 55.8° |
| C2 | C1 | P | O1P | 36.7° | 74.9° |
| C2 | C1 | P | O2P | 155.9° | 168.8° |
| C2 | C1 | P | HP1 | 86.2° | 60.0° |
| P | C1 | H11 | H12 | 115.8° | 115.8° |
| P | C1 | C2 | C3 | 166.7° | 59.7° |
| P | C1 | C2 | H21 | 68.0° | 63.8° |
| P | C1 | C2 | H22 | 41.4° | 179.2° |
| C1 | P | O1P | O2P | 121.7° | 110.0° |
| C1 | P | O1P | HP1 | 120.5° | 130.9° |
| C1 | P | O2P | HP1 | 120.6° | 116.0° |
| C1 | P | O2P | CM | 70.1° | 56.1° |
| H11 | C1 | C2 | C3 | 68.0° | 180.0° |
| H11 | C1 | C2 | H21 | 57.3° | 56.4° |
| H11 | C1 | C2 | H22 | 166.7° | 58.9° |
| H11 | C1 | P | O1P | 88.5° | 46.9° |
| H11 | C1 | P | O2P | 30.7° | 69.4° |
| H11 | C1 | P | HP1 | 148.5° | 178.2° |
| H12 | C1 | C2 | C3 | 41.5° | 60.2° |
| H12 | C1 | C2 | H21 | 166.7° | 176.2° |
| H12 | C1 | C2 | H22 | 83.8° | 60.8° |
| H12 | C1 | P | O1P | 161.9° | 163.1° |
| H12 | C1 | P | O2P | 78.9° | 46.8° |
| H12 | C1 | P | HP1 | 39.0° | 62.0° |
| C3 | C2 | H21 | H22 | 117.0° | 117.4° |
| C2 | C3 | C4 | H31 | 125.3° | 122.9° |
| C2 | C3 | C4 | H32 | 125.3° | 120.5° |
| C2 | C3 | H31 | H32 | 117.3° | 116.9° |
| C2 | C3 | C4 | C5 | 89.5° | 177.1° |
| C2 | C3 | C4 | H41 | 145.3° | 55.9° |
| C2 | C3 | C4 | H42 | 35.8° | 61.8° |
| H21 | C2 | C3 | C4 | 31.7° | 60.0° |
| H21 | C2 | C3 | H31 | 93.6° | 62.9° |
| H21 | C2 | C3 | H32 | 157.0° | 179.0° |
| H22 | C2 | C3 | C4 | 141.1° | 55.8° |
| H22 | C2 | C3 | H31 | 15.9° | 178.8° |
| H22 | C2 | C3 | H32 | 93.6° | 65.2° |
| C4 | C3 | H31 | H32 | 117.3° | 118.0° |
| C3 | C4 | C5 | H41 | 125.2° | 121.3° |
| C3 | C4 | C5 | H42 | 125.3° | 121.6° |
| C3 | C4 | H41 | H42 | 117.3° | 119.5° |
| C3 | C4 | C5 | C6 | 153.6° | 178.8° |
| C3 | C4 | C5 | H51 | 81.1° | 59.9° |
| C3 | C4 | C5 | H52 | 28.4° | 57.4° |
| H31 | C3 | C4 | C5 | 35.8° | 60.0° |
| H31 | C3 | C4 | H41 | 89.5° | 178.8° |
| H31 | C3 | C4 | H42 | 161.0° | 61.0° |
| H32 | C3 | C4 | C5 | 145.2° | 56.6° |
| H32 | C3 | C4 | H41 | 19.9° | 64.7° |
| H32 | C3 | C4 | H42 | 89.6° | 177.6° |
| C5 | C4 | H41 | H42 | 117.3° | 118.3° |
| C4 | C5 | C6 | H51 | 125.3° | 121.3° |
| C4 | C5 | C6 | H52 | 125.3° | 121.4° |
| C4 | C5 | H51 | H52 | 117.4° | 118.8° |
| C4 | C5 | C6 | C7 | 115.8° | 178.6° |
| C4 | C5 | C6 | H61 | 118.9° | 57.2° |
| C4 | C5 | C6 | H62 | 9.5° | 60.0° |
| H41 | C4 | C5 | C6 | 28.4° | 60.0° |
| H41 | C4 | C5 | H51 | 153.7° | 61.3° |
| H41 | C4 | C5 | H52 | 96.9° | 178.6° |
| H42 | C4 | C5 | C6 | 81.1° | 57.2° |
| H42 | C4 | C5 | H51 | 44.2° | 178.5° |
| H42 | C4 | C5 | H52 | 153.6° | 64.2° |
| C6 | C5 | H51 | H52 | 117.3° | 118.9° |
| C5 | C6 | C7 | H61 | 125.2° | 120.9° |
| C5 | C6 | C7 | H62 | 125.3° | 121.3° |
| C5 | C6 | H61 | H62 | 117.4° | 118.6° |
| C5 | C6 | C7 | C8 | 178.8° | 179.1° |
| C5 | C6 | C7 | H71 | 55.9° | 58.0° |
| C5 | C6 | C7 | H72 | 53.5° | 58.6° |
| H51 | C5 | C6 | C7 | 9.5° | 60.1° |
| H51 | C5 | C6 | H61 | 115.8° | 178.5° |
| H51 | C5 | C6 | H62 | 134.8° | 61.3° |
| H52 | C5 | C6 | C7 | 118.9° | 57.3° |
| H52 | C5 | C6 | H61 | 6.3° | 64.2° |
| H52 | C5 | C6 | H62 | 115.8° | 178.6° |
| C7 | C6 | H61 | H62 | 117.4° | 119.3° |
| C6 | C7 | C8 | H71 | 125.3° | 123.1° |
| C6 | C7 | C8 | H72 | 125.3° | 121.0° |
| C6 | C7 | H71 | H72 | 117.3° | 118.0° |
| C6 | C7 | C8 | C9 | 63.3° | 176.9° |
| C6 | C7 | C8 | H81 | 171.4° | 55.9° |
| C6 | C7 | C8 | H82 | 62.0° | 60.0° |
| H61 | C6 | C7 | C8 | 53.6° | 60.1° |
| H61 | C6 | C7 | H71 | 178.9° | 62.9° |
| H61 | C6 | C7 | H72 | 71.7° | 179.5° |
| H62 | C6 | C7 | C8 | 55.9° | 57.8° |
| H62 | C6 | C7 | H71 | 69.4° | 179.3° |
| H62 | C6 | C7 | H72 | 178.8° | 62.7° |
| C8 | C7 | H71 | H72 | 117.3° | 116.8° |
| C7 | C8 | C9 | H81 | 125.3° | 120.5° |
| C7 | C8 | C9 | H82 | 125.3° | 122.9° |
| C7 | C8 | H81 | H82 | 117.3° | 117.8° |
| C7 | C8 | C9 | C10 | 179.6° | 179.5° |
| C7 | C8 | C9 | H91 | 55.1° | 59.2° |
| C7 | C8 | C9 | H92 | 54.3° | 58.5° |
| H71 | C7 | C8 | C9 | 62.0° | 60.0° |
| H71 | C7 | C8 | H81 | 63.3° | 179.0° |
| H71 | C7 | C8 | H82 | 172.7° | 63.0° |
| H72 | C7 | C8 | C9 | 171.5° | 55.9° |
| H72 | C7 | C8 | H81 | 46.2° | 65.1° |
| H72 | C7 | C8 | H82 | 63.3° | 179.0° |
| C9 | C8 | H81 | H82 | 117.3° | 118.5° |
| C8 | C9 | C10 | H91 | 125.2° | 121.3° |
| C8 | C9 | C10 | H92 | 125.3° | 121.6° |
| C8 | C9 | H91 | H92 | 117.4° | 119.5° |
| C8 | C9 | C10 | C11 | 113.4° | 178.7° |
| C8 | C9 | C10 | H101 | 121.3° | 60.2° |
| C8 | C9 | C10 | H102 | 11.8° | 57.5° |
| H81 | C8 | C9 | C10 | 54.3° | 60.0° |
| H81 | C8 | C9 | H91 | 179.6° | 61.3° |
| H81 | C8 | C9 | H92 | 71.0° | 179.0° |
| H82 | C8 | C9 | C10 | 55.1° | 56.6° |
| H82 | C8 | C9 | H91 | 70.1° | 177.8° |
| H82 | C8 | C9 | H92 | 179.6° | 64.4° |
| C10 | C9 | H91 | H92 | 117.4° | 118.2° |
| C9 | C10 | C11 | H101 | 125.3° | 121.5° |
| C9 | C10 | C11 | H102 | 125.2° | 121.6° |
| C9 | C10 | H101 | H102 | 117.8° | 119.4° |
| C9 | C10 | C11 | H111 | 180.0° | 60.3° |
| C9 | C10 | C11 | H112 | 54.7° | 60.2° |
| C9 | C10 | C11 | H113 | 54.7° | 180.0° |
| H91 | C9 | C10 | C11 | 11.8° | 60.0° |
| H91 | C9 | C10 | H101 | 113.5° | 61.1° |
| H91 | C9 | C10 | H102 | 137.0° | 178.8° |
| H92 | C9 | C10 | C11 | 121.3° | 57.1° |
| H92 | C9 | C10 | H101 | 4.0° | 178.2° |
| H92 | C9 | C10 | H102 | 113.5° | 64.1° |
| C11 | C10 | H101 | H102 | 117.8° | 118.1° |
| C10 | C11 | H111 | H112 | 125.3° | 122.1° |
| C10 | C11 | H111 | H113 | 125.3° | 121.0° |
| C10 | C11 | H112 | H113 | 117.8° | 121.0° |
| H101 | C10 | C11 | H111 | 54.7° | 178.1° |
| H101 | C10 | C11 | H112 | 180.0° | 61.3° |
| H101 | C10 | C11 | H113 | 70.6° | 58.4° |
| H102 | C10 | C11 | H111 | 54.8° | 61.2° |
| H102 | C10 | C11 | H112 | 70.5° | 178.2° |
| H102 | C10 | C11 | H113 | 179.9° | 58.5° |
| H111 | C11 | H112 | H113 | 117.8° | 116.8° |
| O1P | P | O2P | HP1 | 123.0° | 129.0° |
| O1P | P | O2P | CM | 173.5° | 171.0° |
| P | O2P | CM | HM1 | 180.0° | 17.2° |
| P | O2P | CM | HM2 | 54.7° | 103.7° |
| P | O2P | CM | HM3 | 54.7° | 136.8° |
| O2P | CM | HM1 | HM2 | 125.3° | 120.5° |
| O2P | CM | HM1 | HM3 | 125.3° | 119.3° |
| O2P | CM | HM2 | HM3 | 112.9° | 119.3° |
| CM | O2P | P | HP1 | 50.5° | 60.0° |
| HM1 | CM | HM2 | HM3 | 113.0° | 120.2° |
