ME2
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C7 | C6 | sing | 1.53Å | 1.53Å | |
| C7 | H71 | sing | 1.09Å | 1.12Å | |
| C7 | H72 | sing | 1.09Å | 1.11Å | |
| C7 | H73 | sing | 1.09Å | 1.12Å | |
| C6 | O3 | sing | 1.43Å | 1.47Å | |
| C6 | H61 | sing | 1.09Å | 1.11Å | |
| C6 | H62 | sing | 1.09Å | 1.12Å | |
| O3 | C5 | sing | 1.43Å | 1.47Å | |
| C5 | C4 | sing | 1.53Å | 1.57Å | |
| C5 | H51 | sing | 1.09Å | 1.11Å | |
| C5 | H52 | sing | 1.09Å | 1.11Å | |
| C4 | O2 | sing | 1.43Å | 1.46Å | |
| C4 | H41 | sing | 1.09Å | 1.11Å | |
| C4 | H42 | sing | 1.09Å | 1.11Å | |
| O2 | C3 | sing | 1.43Å | 1.44Å | |
| C3 | C2 | sing | 1.53Å | 1.52Å | |
| C3 | H31 | sing | 1.09Å | 1.12Å | |
| C3 | H32 | sing | 1.09Å | 1.12Å | |
| C2 | O1 | sing | 1.43Å | 1.41Å | |
| C2 | H21 | sing | 1.09Å | 1.11Å | |
| C2 | H22 | sing | 1.09Å | 1.11Å | |
| O1 | C1 | sing | 1.43Å | 1.46Å | |
| C1 | H11 | sing | 1.09Å | 1.11Å | |
| C1 | H12 | sing | 1.09Å | 1.12Å | |
| C1 | H13 | sing | 1.09Å | 1.12Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C6 | C7 | H71 | 122.4° | 109.5° |
| C6 | C7 | H72 | 107.6° | 109.4° |
| C6 | C7 | H73 | 107.6° | 109.4° |
| C7 | C6 | O3 | 122.4° | 109.5° |
| C7 | C6 | H61 | 107.6° | 109.4° |
| C7 | C6 | H62 | 107.6° | 109.4° |
| H71 | C7 | H72 | 107.6° | 109.5° |
| H71 | C7 | H73 | 107.6° | 109.5° |
| H72 | C7 | H73 | 102.2° | 109.5° |
| O3 | C6 | H61 | 107.6° | 109.5° |
| O3 | C6 | H62 | 107.6° | 109.5° |
| C6 | O3 | C5 | 112.6° | 106.8° |
| H61 | C6 | H62 | 102.2° | 109.5° |
| O3 | C5 | C4 | 108.9° | 109.5° |
| O3 | C5 | H51 | 112.4° | 109.5° |
| O3 | C5 | H52 | 112.4° | 109.5° |
| C4 | C5 | H51 | 112.5° | 109.4° |
| C4 | C5 | H52 | 112.5° | 109.5° |
| C5 | C4 | O2 | 112.9° | 109.4° |
| C5 | C4 | H41 | 111.0° | 109.4° |
| C5 | C4 | H42 | 110.9° | 109.5° |
| H51 | C5 | H52 | 98.0° | 109.5° |
| O2 | C4 | H41 | 111.0° | 109.5° |
| O2 | C4 | H42 | 110.9° | 109.6° |
| C4 | O2 | C3 | 114.9° | 106.7° |
| H41 | C4 | H42 | 99.4° | 109.5° |
| O2 | C3 | C2 | 115.6° | 109.4° |
| O2 | C3 | H31 | 109.9° | 109.5° |
| O2 | C3 | H32 | 109.9° | 109.5° |
| C2 | C3 | H31 | 110.0° | 109.5° |
| C2 | C3 | H32 | 110.0° | 109.4° |
| C3 | C2 | O1 | 130.2° | 109.5° |
| C3 | C2 | H21 | 105.0° | 109.5° |
| C3 | C2 | H22 | 105.0° | 109.5° |
| H31 | C3 | H32 | 100.2° | 109.5° |
| O1 | C2 | H21 | 105.1° | 109.4° |
| O1 | C2 | H22 | 105.1° | 109.5° |
| C2 | O1 | C1 | 116.3° | 106.8° |
| H21 | C2 | H22 | 104.1° | 109.5° |
| O1 | C1 | H11 | 116.3° | 109.5° |
| O1 | C1 | H12 | 109.7° | 109.5° |
| O1 | C1 | H13 | 109.7° | 109.5° |
| H11 | C1 | H12 | 109.8° | 109.5° |
| H11 | C1 | H13 | 109.8° | 109.4° |
| H12 | C1 | H13 | 100.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C6 | C7 | H71 | H72 | 125.3° | 120.0° |
| C6 | C7 | H71 | H73 | 125.3° | 120.0° |
| C6 | C7 | H72 | H73 | 113.2° | 119.9° |
| C7 | C6 | O3 | H61 | 125.3° | 120.0° |
| C7 | C6 | O3 | H62 | 125.3° | 120.0° |
| C7 | C6 | H61 | H62 | 113.2° | 119.9° |
| C7 | C6 | O3 | C5 | 77.4° | 180.0° |
| H71 | C7 | H72 | H73 | 113.1° | 120.0° |
| H71 | C7 | C6 | O3 | 180.0° | 180.0° |
| H71 | C7 | C6 | H61 | 54.7° | 60.0° |
| H71 | C7 | C6 | H62 | 54.7° | 60.0° |
| H72 | C7 | C6 | O3 | 54.7° | 60.0° |
| H72 | C7 | C6 | H61 | 70.6° | 60.1° |
| H72 | C7 | C6 | H62 | 180.0° | 180.0° |
| H73 | C7 | C6 | O3 | 54.8° | 60.0° |
| H73 | C7 | C6 | H61 | 180.0° | 180.0° |
| H73 | C7 | C6 | H62 | 70.5° | 60.0° |
| O3 | C6 | H61 | H62 | 113.2° | 120.0° |
| C6 | O3 | C5 | C4 | 63.4° | 180.0° |
| C6 | O3 | C5 | H51 | 171.3° | 60.0° |
| C6 | O3 | C5 | H52 | 61.9° | 60.0° |
| H61 | C6 | O3 | C5 | 47.9° | 60.0° |
| H62 | C6 | O3 | C5 | 157.4° | 60.0° |
| O3 | C5 | C4 | H51 | 125.3° | 120.0° |
| O3 | C5 | C4 | H52 | 125.2° | 120.0° |
| O3 | C5 | H51 | H52 | 118.3° | 120.0° |
| O3 | C5 | C4 | O2 | 16.3° | 60.0° |
| O3 | C5 | C4 | H41 | 109.0° | 180.0° |
| O3 | C5 | C4 | H42 | 141.5° | 60.0° |
| C4 | C5 | H51 | H52 | 118.4° | 120.0° |
| C5 | C4 | O2 | H41 | 125.2° | 119.9° |
| C5 | C4 | O2 | H42 | 125.2° | 120.0° |
| C5 | C4 | H41 | H42 | 116.8° | 120.0° |
| C5 | C4 | O2 | C3 | 169.2° | 180.0° |
| H51 | C5 | C4 | O2 | 141.5° | 59.9° |
| H51 | C5 | C4 | H41 | 16.3° | 60.0° |
| H51 | C5 | C4 | H42 | 93.2° | 180.0° |
| H52 | C5 | C4 | O2 | 109.0° | 179.9° |
| H52 | C5 | C4 | H41 | 125.8° | 60.0° |
| H52 | C5 | C4 | H42 | 16.3° | 60.0° |
| O2 | C4 | H41 | H42 | 116.8° | 120.1° |
| C4 | O2 | C3 | C2 | 31.3° | 179.9° |
| C4 | O2 | C3 | H31 | 94.0° | 60.0° |
| C4 | O2 | C3 | H32 | 156.6° | 60.0° |
| H41 | C4 | O2 | C3 | 44.0° | 60.1° |
| H42 | C4 | O2 | C3 | 65.6° | 60.0° |
| O2 | C3 | C2 | H31 | 125.2° | 120.0° |
| O2 | C3 | C2 | H32 | 125.3° | 119.9° |
| O2 | C3 | H31 | H32 | 115.7° | 120.0° |
| O2 | C3 | C2 | O1 | 178.1° | 60.1° |
| O2 | C3 | C2 | H21 | 52.8° | 180.0° |
| O2 | C3 | C2 | H22 | 56.7° | 60.0° |
| C2 | C3 | H31 | H32 | 115.8° | 120.0° |
| C3 | C2 | O1 | H21 | 125.3° | 120.0° |
| C3 | C2 | O1 | H22 | 125.2° | 120.0° |
| C3 | C2 | H21 | H22 | 110.1° | 120.0° |
| C3 | C2 | O1 | C1 | 138.5° | 180.0° |
| H31 | C3 | C2 | O1 | 56.7° | 60.0° |
| H31 | C3 | C2 | H21 | 178.0° | 60.0° |
| H31 | C3 | C2 | H22 | 68.6° | 179.9° |
| H32 | C3 | C2 | O1 | 52.8° | 180.0° |
| H32 | C3 | C2 | H21 | 72.5° | 60.1° |
| H32 | C3 | C2 | H22 | 178.1° | 59.9° |
| O1 | C2 | H21 | H22 | 110.2° | 120.1° |
| C2 | O1 | C1 | H11 | 180.0° | 180.0° |
| C2 | O1 | C1 | H12 | 54.7° | 60.1° |
| C2 | O1 | C1 | H13 | 54.7° | 60.0° |
| H21 | C2 | O1 | C1 | 13.2° | 60.0° |
| H22 | C2 | O1 | C1 | 96.3° | 60.0° |
| O1 | C1 | H11 | H12 | 125.2° | 120.0° |
| O1 | C1 | H11 | H13 | 125.3° | 120.0° |
| O1 | C1 | H12 | H13 | 115.4° | 120.0° |
| H11 | C1 | H12 | H13 | 115.6° | 120.0° |
