MOP
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | O1 | doub | 1.21Å | 1.23Å | |
| C1 | C2 | sing | 1.51Å | 1.53Å | |
| C1 | H1 | sing | 1.08Å | 1.10Å | |
| C2 | C3 | sing | 1.53Å | 1.54Å | |
| C2 | H21 | sing | 1.09Å | 1.09Å | |
| C2 | H22 | sing | 1.09Å | 1.12Å | |
| C3 | C4 | sing | 1.53Å | 1.54Å | |
| C3 | H31 | sing | 1.09Å | 1.09Å | |
| C3 | H32 | sing | 1.09Å | 1.09Å | |
| C4 | C5 | sing | 1.53Å | 1.53Å | |
| C4 | CM4 | sing | 1.53Å | 1.53Å | |
| C4 | H4 | sing | 1.09Å | 1.09Å | |
| C5 | H51 | sing | 1.09Å | 1.09Å | |
| C5 | H52 | sing | 1.09Å | 1.09Å | |
| C5 | H53 | sing | 1.09Å | 1.09Å | |
| CM4 | HM41 | sing | 1.09Å | 1.09Å | |
| CM4 | HM42 | sing | 1.09Å | 1.08Å | |
| CM4 | HM43 | sing | 1.09Å | 1.09Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C1 | C2 | 120.0° | 120.1° |
| O1 | C1 | H1 | 109.4° | 120.0° |
| C2 | C1 | H1 | 130.6° | 120.0° |
| C1 | C2 | C3 | 109.0° | 109.5° |
| C1 | C2 | H21 | 107.7° | 109.4° |
| C1 | C2 | H22 | 112.4° | 109.5° |
| C3 | C2 | H21 | 105.8° | 109.5° |
| C3 | C2 | H22 | 112.4° | 109.5° |
| C2 | C3 | C4 | 109.6° | 109.5° |
| C2 | C3 | H31 | 111.6° | 109.5° |
| C2 | C3 | H32 | 110.4° | 109.5° |
| H21 | C2 | H22 | 109.3° | 109.5° |
| C4 | C3 | H31 | 109.1° | 109.4° |
| C4 | C3 | H32 | 108.4° | 109.5° |
| C3 | C4 | C5 | 110.5° | 109.5° |
| C3 | C4 | CM4 | 110.7° | 109.5° |
| C3 | C4 | H4 | 110.9° | 109.5° |
| H31 | C3 | H32 | 107.7° | 109.5° |
| C5 | C4 | CM4 | 111.1° | 109.5° |
| C5 | C4 | H4 | 107.7° | 109.4° |
| C4 | C5 | H51 | 110.2° | 109.5° |
| C4 | C5 | H52 | 110.9° | 109.5° |
| C4 | C5 | H53 | 108.4° | 109.5° |
| CM4 | C4 | H4 | 105.6° | 109.5° |
| C4 | CM4 | HM41 | 111.1° | 109.5° |
| C4 | CM4 | HM42 | 109.0° | 109.5° |
| C4 | CM4 | HM43 | 109.5° | 109.6° |
| H51 | C5 | H52 | 109.5° | 109.5° |
| H51 | C5 | H53 | 109.0° | 109.4° |
| H52 | C5 | H53 | 108.8° | 109.4° |
| HM41 | CM4 | HM42 | 108.2° | 109.4° |
| HM41 | CM4 | HM43 | 110.4° | 109.4° |
| HM42 | CM4 | HM43 | 108.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C1 | C2 | H1 | 180.0° | 180.0° |
| O1 | C1 | C2 | C3 | 53.4° | 120.0° |
| O1 | C1 | C2 | H21 | 167.7° | 0.0° |
| O1 | C1 | C2 | H22 | 71.8° | 119.9° |
| C1 | C2 | C3 | H21 | 115.6° | 120.0° |
| C1 | C2 | C3 | H22 | 125.3° | 120.0° |
| C1 | C2 | H21 | H22 | 122.4° | 120.0° |
| C1 | C2 | C3 | C4 | 85.8° | 180.0° |
| C1 | C2 | C3 | H31 | 153.2° | 60.0° |
| C1 | C2 | C3 | H32 | 33.5° | 60.0° |
| H1 | C1 | C2 | C3 | 126.6° | 60.0° |
| H1 | C1 | C2 | H21 | 12.3° | 180.0° |
| H1 | C1 | C2 | H22 | 108.2° | 60.0° |
| C3 | C2 | H21 | H22 | 121.2° | 120.0° |
| C2 | C3 | C4 | H31 | 122.5° | 120.0° |
| C2 | C3 | C4 | H32 | 120.5° | 120.1° |
| C2 | C3 | H31 | H32 | 121.3° | 120.1° |
| C2 | C3 | C4 | C5 | 148.4° | 180.0° |
| C2 | C3 | C4 | CM4 | 88.0° | 60.0° |
| C2 | C3 | C4 | H4 | 28.9° | 60.0° |
| H21 | C2 | C3 | C4 | 29.8° | 60.1° |
| H21 | C2 | C3 | H31 | 91.2° | 180.0° |
| H21 | C2 | C3 | H32 | 149.1° | 60.0° |
| H22 | C2 | C3 | C4 | 149.0° | 60.0° |
| H22 | C2 | C3 | H31 | 27.9° | 60.0° |
| H22 | C2 | C3 | H32 | 91.8° | 180.0° |
| C4 | C3 | H31 | H32 | 117.4° | 120.0° |
| C3 | C4 | C5 | CM4 | 123.4° | 120.1° |
| C3 | C4 | C5 | H4 | 121.3° | 120.0° |
| C3 | C4 | CM4 | H4 | 120.2° | 120.1° |
| C3 | C4 | C5 | H51 | 175.7° | 180.0° |
| C3 | C4 | C5 | H52 | 54.4° | 59.9° |
| C3 | C4 | C5 | H53 | 65.0° | 60.1° |
| C3 | C4 | CM4 | HM41 | 51.3° | 59.9° |
| C3 | C4 | CM4 | HM42 | 67.9° | 59.9° |
| C3 | C4 | CM4 | HM43 | 173.6° | 180.0° |
| H31 | C3 | C4 | C5 | 89.1° | 60.0° |
| H31 | C3 | C4 | CM4 | 34.5° | 60.0° |
| H31 | C3 | C4 | H4 | 151.4° | 180.0° |
| H32 | C3 | C4 | C5 | 27.8° | 59.9° |
| H32 | C3 | C4 | CM4 | 151.5° | 180.0° |
| H32 | C3 | C4 | H4 | 91.6° | 60.0° |
| C5 | C4 | CM4 | H4 | 116.6° | 119.9° |
| C4 | C5 | H51 | H52 | 122.2° | 120.1° |
| C4 | C5 | H51 | H53 | 118.9° | 120.0° |
| C4 | C5 | H52 | H53 | 119.1° | 120.0° |
| C5 | C4 | CM4 | HM41 | 72.0° | 60.1° |
| C5 | C4 | CM4 | HM42 | 168.8° | 179.9° |
| C5 | C4 | CM4 | HM43 | 50.3° | 59.9° |
| CM4 | C4 | C5 | H51 | 52.4° | 59.9° |
| CM4 | C4 | C5 | H52 | 69.0° | 180.0° |
| CM4 | C4 | C5 | H53 | 171.6° | 60.0° |
| C4 | CM4 | HM41 | HM42 | 119.7° | 119.9° |
| C4 | CM4 | HM41 | HM43 | 121.7° | 120.1° |
| C4 | CM4 | HM42 | HM43 | 119.2° | 120.2° |
| H4 | C4 | C5 | H51 | 62.9° | 60.1° |
| H4 | C4 | C5 | H52 | 175.7° | 60.1° |
| H4 | C4 | C5 | H53 | 56.3° | 180.0° |
| H4 | C4 | CM4 | HM41 | 171.5° | 180.0° |
| H4 | C4 | CM4 | HM42 | 52.3° | 60.1° |
| H4 | C4 | CM4 | HM43 | 66.3° | 60.0° |
| H51 | C5 | H52 | H53 | 119.1° | 119.9° |
| HM41 | CM4 | HM42 | HM43 | 119.9° | 119.9° |
