2GL
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O5 | C1 | sing | 1.43Å | 1.44Å | |
| O1 | HO1 | sing | 0.97Å | 0.95Å | |
| C1 | C2 | sing | 1.53Å | 1.49Å | |
| C1 | O1 | sing | 1.43Å | 1.43Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C2 | C3 | sing | 1.53Å | 1.52Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C2 | H22 | sing | 1.09Å | 1.10Å | |
| C3 | O3 | sing | 1.43Å | 1.47Å | |
| C3 | C4 | sing | 1.53Å | 1.54Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| O3 | HO3 | sing | 0.97Å | 0.95Å | |
| C4 | O4 | sing | 1.45Å | 1.48Å | |
| C4 | C5 | sing | 1.53Å | 1.54Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| O4 | CO4 | sing | 1.34Å | 1.32Å | |
| CME | CO4 | sing | 1.51Å | 1.50Å | |
| CME | HM41 | sing | 1.09Å | 1.10Å | |
| CME | HM42 | sing | 1.09Å | 1.10Å | |
| CME | HM43 | sing | 1.09Å | 1.10Å | |
| CO4 | OC4 | doub | 1.21Å | 1.22Å | |
| C5 | O5 | sing | 1.43Å | 1.42Å | |
| C5 | C6 | sing | 1.53Å | 1.52Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C6 | H61 | sing | 1.09Å | 1.10Å | |
| C6 | H62 | sing | 1.09Å | 1.10Å | |
| C6 | H63 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O5 | C1 | C2 | 104.3° | 109.4° |
| O5 | C1 | O1 | 111.8° | 109.5° |
| O5 | C1 | H1 | 111.6° | 109.5° |
| C1 | O5 | C5 | 106.6° | 114.1° |
| HO1 | O1 | C1 | 109.5° | 114.0° |
| C2 | C1 | O1 | 106.2° | 109.5° |
| C2 | C1 | H1 | 110.9° | 109.5° |
| C1 | C2 | C3 | 110.9° | 109.2° |
| C1 | C2 | H2 | 109.1° | 109.5° |
| C1 | C2 | H22 | 109.1° | 109.5° |
| O1 | C1 | H1 | 111.7° | 109.5° |
| C3 | C2 | H2 | 109.1° | 109.5° |
| C3 | C2 | H22 | 109.1° | 109.6° |
| C2 | C3 | O3 | 104.5° | 109.6° |
| C2 | C3 | C4 | 110.9° | 109.0° |
| C2 | C3 | H3 | 110.1° | 109.6° |
| H2 | C2 | H22 | 109.4° | 109.6° |
| O3 | C3 | C4 | 110.5° | 109.5° |
| O3 | C3 | H3 | 110.9° | 109.5° |
| C3 | O3 | HO3 | 109.5° | 114.0° |
| C4 | C3 | H3 | 109.9° | 109.6° |
| C3 | C4 | O4 | 111.6° | 109.5° |
| C3 | C4 | C5 | 104.7° | 109.2° |
| C3 | C4 | H4 | 109.2° | 109.6° |
| O4 | C4 | C5 | 111.8° | 109.5° |
| O4 | C4 | H4 | 110.1° | 109.5° |
| C4 | O4 | CO4 | 122.1° | 117.0° |
| C5 | C4 | H4 | 109.3° | 109.6° |
| C4 | C5 | O5 | 104.4° | 109.4° |
| C4 | C5 | C6 | 112.1° | 109.5° |
| C4 | C5 | H5 | 109.3° | 109.4° |
| O4 | CO4 | CME | 106.9° | 120.0° |
| O4 | CO4 | OC4 | 127.3° | 120.0° |
| CO4 | CME | HM41 | 109.5° | 109.5° |
| CO4 | CME | HM42 | 109.5° | 109.5° |
| CO4 | CME | HM43 | 109.5° | 109.5° |
| CME | CO4 | OC4 | 124.3° | 120.0° |
| HM41 | CME | HM42 | 109.5° | 109.4° |
| HM41 | CME | HM43 | 109.4° | 109.5° |
| HM42 | CME | HM43 | 109.4° | 109.4° |
| O5 | C5 | C6 | 110.5° | 109.5° |
| O5 | C5 | H5 | 110.9° | 109.5° |
| C6 | C5 | H5 | 109.6° | 109.5° |
| C5 | C6 | H61 | 109.5° | 109.5° |
| C5 | C6 | H62 | 109.5° | 109.5° |
| C5 | C6 | H63 | 109.5° | 109.5° |
| H61 | C6 | H62 | 109.5° | 109.4° |
| H61 | C6 | H63 | 109.4° | 109.5° |
| H62 | C6 | H63 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O5 | C1 | O1 | HO1 | 180.0° | 60.0° |
| O5 | C1 | C2 | O1 | 118.2° | 120.0° |
| O5 | C1 | C2 | H1 | 120.3° | 120.0° |
| O5 | C1 | O1 | H1 | 125.9° | 120.0° |
| O5 | C1 | C2 | C3 | 59.8° | 57.6° |
| O5 | C1 | C2 | H2 | 180.0° | 177.5° |
| O5 | C1 | C2 | H22 | 60.4° | 62.4° |
| C1 | O5 | C5 | C4 | 80.2° | 61.1° |
| C1 | O5 | C5 | C6 | 159.1° | 178.9° |
| C1 | O5 | C5 | H5 | 37.4° | 58.8° |
| HO1 | O1 | C1 | C2 | 66.8° | 179.9° |
| HO1 | O1 | C1 | H1 | 54.1° | 60.0° |
| C2 | C1 | O1 | H1 | 121.0° | 120.1° |
| C1 | C2 | C3 | H2 | 120.2° | 119.9° |
| C1 | C2 | C3 | H22 | 120.2° | 119.9° |
| C1 | C2 | H2 | H22 | 119.4° | 120.1° |
| C1 | C2 | C3 | O3 | 171.2° | 176.9° |
| C1 | C2 | C3 | C4 | 52.2° | 57.0° |
| C1 | C2 | C3 | H3 | 69.6° | 62.9° |
| C2 | C1 | O5 | C5 | 75.3° | 61.1° |
| O1 | C1 | C2 | C3 | 178.0° | 177.6° |
| O1 | C1 | C2 | H2 | 61.8° | 62.5° |
| O1 | C1 | C2 | H22 | 57.8° | 57.6° |
| O1 | C1 | O5 | C5 | 170.4° | 178.9° |
| H1 | C1 | C2 | C3 | 60.5° | 62.4° |
| H1 | C1 | C2 | H2 | 59.7° | 57.5° |
| H1 | C1 | C2 | H22 | 179.3° | 177.7° |
| H1 | C1 | O5 | C5 | 44.4° | 58.8° |
| C3 | C2 | H2 | H22 | 119.3° | 120.2° |
| C2 | C3 | O3 | C4 | 119.3° | 119.6° |
| C2 | C3 | O3 | H3 | 118.6° | 120.2° |
| C2 | C3 | C4 | H3 | 122.0° | 119.9° |
| C2 | C3 | O3 | HO3 | 180.0° | 60.0° |
| C2 | C3 | C4 | O4 | 68.1° | 62.9° |
| C2 | C3 | C4 | C5 | 53.0° | 56.9° |
| C2 | C3 | C4 | H4 | 169.9° | 176.9° |
| H2 | C2 | C3 | O3 | 68.6° | 63.3° |
| H2 | C2 | C3 | C4 | 172.4° | 176.8° |
| H2 | C2 | C3 | H3 | 50.6° | 56.9° |
| H22 | C2 | C3 | O3 | 51.0° | 56.9° |
| H22 | C2 | C3 | C4 | 68.0° | 62.9° |
| H22 | C2 | C3 | H3 | 170.1° | 177.1° |
| O3 | C3 | C4 | H3 | 122.7° | 120.2° |
| O3 | C3 | C4 | O4 | 47.2° | 57.0° |
| O3 | C3 | C4 | C5 | 168.3° | 176.9° |
| O3 | C3 | C4 | H4 | 74.8° | 63.1° |
| C4 | C3 | O3 | HO3 | 60.7° | 179.6° |
| C3 | C4 | O4 | C5 | 116.8° | 119.7° |
| C3 | C4 | O4 | H4 | 121.5° | 120.2° |
| C3 | C4 | C5 | H4 | 116.9° | 120.0° |
| C3 | C4 | O4 | CO4 | 134.1° | 90.0° |
| C3 | C4 | C5 | O5 | 65.6° | 57.6° |
| C3 | C4 | C5 | C6 | 174.8° | 177.6° |
| C3 | C4 | C5 | H5 | 53.1° | 62.4° |
| H3 | C3 | O3 | HO3 | 61.3° | 60.2° |
| H3 | C3 | C4 | O4 | 169.9° | 177.2° |
| H3 | C3 | C4 | C5 | 69.0° | 63.0° |
| H3 | C3 | C4 | H4 | 47.9° | 57.0° |
| O4 | C4 | C5 | H4 | 122.1° | 120.1° |
| C4 | O4 | CO4 | CME | 172.7° | 180.0° |
| C4 | O4 | CO4 | OC4 | 6.3° | 0.0° |
| O4 | C4 | C5 | O5 | 55.3° | 62.3° |
| O4 | C4 | C5 | C6 | 64.3° | 57.7° |
| O4 | C4 | C5 | H5 | 174.0° | 177.7° |
| C5 | C4 | O4 | CO4 | 109.0° | 150.3° |
| C4 | C5 | O5 | C6 | 120.7° | 120.0° |
| C4 | C5 | O5 | H5 | 117.6° | 120.0° |
| C4 | C5 | C6 | H5 | 121.5° | 120.0° |
| C4 | C5 | C6 | H61 | 180.0° | 60.1° |
| C4 | C5 | C6 | H62 | 60.0° | 180.0° |
| C4 | C5 | C6 | H63 | 60.0° | 60.0° |
| H4 | C4 | O4 | CO4 | 12.6° | 30.2° |
| H4 | C4 | C5 | O5 | 177.5° | 177.6° |
| H4 | C4 | C5 | C6 | 57.9° | 62.4° |
| H4 | C4 | C5 | H5 | 63.8° | 57.6° |
| O4 | CO4 | CME | OC4 | 167.0° | 180.0° |
| O4 | CO4 | CME | HM41 | 167.0° | 90.0° |
| O4 | CO4 | CME | HM42 | 73.0° | 150.0° |
| O4 | CO4 | CME | HM43 | 47.0° | 30.0° |
| CO4 | CME | HM41 | HM42 | 120.0° | 120.0° |
| CO4 | CME | HM41 | HM43 | 120.0° | 120.1° |
| CO4 | CME | HM42 | HM43 | 120.0° | 120.0° |
| HM41 | CME | HM42 | HM43 | 119.9° | 120.0° |
| HM41 | CME | CO4 | OC4 | 0.0° | 90.0° |
| HM42 | CME | CO4 | OC4 | 120.0° | 30.0° |
| HM43 | CME | CO4 | OC4 | 120.0° | 150.0° |
| O5 | C5 | C6 | H5 | 122.5° | 120.1° |
| O5 | C5 | C6 | H61 | 64.0° | 59.9° |
| O5 | C5 | C6 | H62 | 175.9° | 60.0° |
| O5 | C5 | C6 | H63 | 55.9° | 180.0° |
| C5 | C6 | H61 | H62 | 120.0° | 120.0° |
| C5 | C6 | H61 | H63 | 120.0° | 120.1° |
| C5 | C6 | H62 | H63 | 120.0° | 120.0° |
| H5 | C5 | C6 | H61 | 58.5° | 180.0° |
| H5 | C5 | C6 | H62 | 61.5° | 60.0° |
| H5 | C5 | C6 | H63 | 178.5° | 60.0° |
| H61 | C6 | H62 | H63 | 120.0° | 120.0° |
