EBG
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | O1 | sing | 1.43Å | 1.40Å | |
| C1 | C2 | sing | 1.53Å | 1.52Å | |
| C1 | O5 | sing | 1.43Å | 1.43Å | |
| C1 | H1 | sing | 1.09Å | 1.12Å | |
| O1 | C7 | sing | 1.43Å | 1.40Å | |
| C2 | O2 | sing | 1.43Å | 1.42Å | |
| C2 | C3 | sing | 1.53Å | 1.53Å | |
| C2 | H2 | sing | 1.09Å | 1.12Å | |
| O2 | HO2 | sing | 0.97Å | 0.95Å | |
| C3 | O3 | sing | 1.43Å | 1.42Å | |
| C3 | C4 | sing | 1.53Å | 1.52Å | |
| C3 | H3 | sing | 1.09Å | 1.11Å | |
| O3 | HO3 | sing | 0.97Å | 0.95Å | |
| C4 | O4 | sing | 1.43Å | 1.42Å | |
| C4 | C5 | sing | 1.53Å | 1.54Å | |
| C4 | H4 | sing | 1.09Å | 1.12Å | |
| O4 | HO4 | sing | 0.97Å | 0.95Å | |
| C5 | O5 | sing | 1.43Å | 1.45Å | |
| C5 | C6 | sing | 1.53Å | 1.51Å | |
| C5 | H5 | sing | 1.09Å | 1.11Å | |
| C6 | O6 | sing | 1.43Å | 1.42Å | |
| C6 | H61 | sing | 1.09Å | 1.12Å | |
| C6 | H62 | sing | 1.09Å | 1.12Å | |
| O6 | HO6 | sing | 0.97Å | 0.95Å | |
| C7 | C8 | sing | 1.53Å | 1.54Å | |
| C7 | H71 | sing | 1.09Å | 1.12Å | |
| C7 | H72 | sing | 1.09Å | 1.11Å | |
| C8 | C9 | sing | 1.53Å | 1.56Å | |
| C8 | H81 | sing | 1.09Å | 1.12Å | |
| C8 | H82 | sing | 1.09Å | 1.11Å | |
| C9 | C10 | sing | 1.53Å | 1.54Å | |
| C9 | O9 | sing | 1.43Å | 1.44Å | |
| C9 | H9 | sing | 1.09Å | 1.11Å | |
| C10 | O9 | sing | 1.43Å | 2.44Å | |
| C10 | H101 | sing | 1.09Å | 1.11Å | |
| C10 | H102 | sing | 1.09Å | 1.11Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C1 | C2 | 112.1° | 109.3° |
| O1 | C1 | O5 | 115.0° | 109.4° |
| O1 | C1 | H1 | 104.3° | 109.4° |
| C1 | O1 | C7 | 117.5° | 106.8° |
| C2 | C1 | O5 | 111.6° | 109.8° |
| C2 | C1 | H1 | 108.2° | 109.4° |
| C1 | C2 | O2 | 110.1° | 109.5° |
| C1 | C2 | C3 | 108.6° | 109.0° |
| C1 | C2 | H2 | 109.9° | 109.6° |
| O5 | C1 | H1 | 104.8° | 109.4° |
| C1 | O5 | C5 | 116.0° | 107.6° |
| O1 | C7 | C8 | 110.4° | 109.5° |
| O1 | C7 | H71 | 111.9° | 109.5° |
| O1 | C7 | H72 | 111.9° | 109.5° |
| O2 | C2 | C3 | 110.3° | 109.6° |
| O2 | C2 | H2 | 108.2° | 109.5° |
| C2 | O2 | HO2 | 110.1° | 106.8° |
| C3 | C2 | H2 | 109.8° | 109.6° |
| C2 | C3 | O3 | 110.3° | 109.6° |
| C2 | C3 | C4 | 110.2° | 108.6° |
| C2 | C3 | H3 | 108.5° | 109.6° |
| O3 | C3 | C4 | 109.8° | 109.8° |
| O3 | C3 | H3 | 108.9° | 109.6° |
| C3 | O3 | HO3 | 110.3° | 106.8° |
| C4 | C3 | H3 | 109.1° | 109.7° |
| C3 | C4 | O4 | 108.7° | 109.5° |
| C3 | C4 | C5 | 112.2° | 109.0° |
| C3 | C4 | H4 | 108.0° | 109.5° |
| O4 | C4 | C5 | 109.0° | 109.5° |
| O4 | C4 | H4 | 111.2° | 109.5° |
| C4 | O4 | HO4 | 108.6° | 106.8° |
| C5 | C4 | H4 | 107.7° | 109.7° |
| C4 | C5 | O5 | 111.0° | 109.7° |
| C4 | C5 | C6 | 112.9° | 109.4° |
| C4 | C5 | H5 | 105.2° | 109.5° |
| O5 | C5 | C6 | 106.5° | 109.4° |
| O5 | C5 | H5 | 111.7° | 109.3° |
| C6 | C5 | H5 | 109.7° | 109.5° |
| C5 | C6 | O6 | 111.0° | 109.4° |
| C5 | C6 | H61 | 111.7° | 109.5° |
| C5 | C6 | H62 | 111.7° | 109.5° |
| O6 | C6 | H61 | 111.6° | 109.5° |
| O6 | C6 | H62 | 111.6° | 109.5° |
| C6 | O6 | HO6 | 111.0° | 106.8° |
| H61 | C6 | H62 | 98.8° | 109.5° |
| C8 | C7 | H71 | 111.8° | 109.4° |
| C8 | C7 | H72 | 111.9° | 109.4° |
| C7 | C8 | C9 | 112.7° | 109.5° |
| C7 | C8 | H81 | 111.0° | 109.4° |
| C7 | C8 | H82 | 111.0° | 109.4° |
| H71 | C7 | H72 | 98.5° | 109.4° |
| C9 | C8 | H81 | 111.1° | 109.5° |
| C9 | C8 | H82 | 111.1° | 109.5° |
| C8 | C9 | C10 | 111.5° | 117.8° |
| C8 | C9 | O9 | 110.0° | 117.8° |
| C8 | C9 | H9 | 108.0° | 115.7° |
| H81 | C8 | H82 | 99.3° | 109.5° |
| C10 | C9 | O9 | 110.3° | 57.7° |
| C10 | C9 | H9 | 107.7° | 117.7° |
| C9 | C10 | O9 | 33.5° | 57.6° |
| C9 | C10 | H101 | 152.4° | 117.8° |
| C9 | C10 | H102 | 152.4° | 117.8° |
| O9 | C9 | H9 | 109.2° | 117.8° |
| C9 | O9 | C10 | 36.1° | 64.7° |
| O9 | C10 | H101 | 152.5° | 117.8° |
| O9 | C10 | H102 | 152.4° | 117.8° |
| H101 | C10 | H102 | 44.4° | 115.8° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C1 | C2 | O5 | 130.7° | 120.1° |
| O1 | C1 | C2 | H1 | 114.5° | 119.9° |
| O1 | C1 | O5 | H1 | 113.9° | 119.9° |
| O1 | C1 | C2 | O2 | 48.0° | 61.1° |
| O1 | C1 | C2 | C3 | 72.9° | 58.8° |
| O1 | C1 | C2 | H2 | 167.1° | 178.7° |
| O1 | C1 | O5 | C5 | 72.3° | 52.4° |
| C1 | O1 | C7 | C8 | 106.8° | 180.0° |
| C1 | O1 | C7 | H71 | 18.4° | 60.0° |
| C1 | O1 | C7 | H72 | 127.9° | 60.0° |
| C2 | C1 | O5 | H1 | 116.9° | 120.1° |
| C2 | C1 | O1 | C7 | 133.5° | 179.7° |
| C1 | C2 | O2 | C3 | 119.9° | 119.6° |
| C1 | C2 | O2 | H2 | 120.1° | 120.2° |
| C1 | C2 | C3 | H2 | 120.1° | 119.9° |
| C1 | C2 | O2 | HO2 | 180.0° | 60.0° |
| C1 | C2 | C3 | O3 | 178.1° | 173.6° |
| C1 | C2 | C3 | C4 | 56.8° | 53.7° |
| C1 | C2 | C3 | H3 | 62.6° | 66.0° |
| C2 | C1 | O5 | C5 | 56.8° | 67.6° |
| O5 | C1 | O1 | C7 | 97.5° | 60.0° |
| O5 | C1 | C2 | O2 | 178.7° | 178.8° |
| O5 | C1 | C2 | C3 | 57.8° | 61.3° |
| O5 | C1 | C2 | H2 | 62.3° | 58.7° |
| C1 | O5 | C5 | C4 | 51.2° | 67.6° |
| C1 | O5 | C5 | C6 | 174.5° | 172.3° |
| C1 | O5 | C5 | H5 | 65.8° | 52.4° |
| H1 | C1 | O1 | C7 | 16.7° | 59.9° |
| H1 | C1 | C2 | O2 | 66.4° | 58.7° |
| H1 | C1 | C2 | C3 | 172.7° | 178.7° |
| H1 | C1 | C2 | H2 | 52.6° | 61.4° |
| H1 | C1 | O5 | C5 | 173.8° | 172.3° |
| O1 | C7 | C8 | H71 | 125.3° | 120.1° |
| O1 | C7 | C8 | H72 | 125.3° | 120.0° |
| O1 | C7 | H71 | H72 | 117.8° | 120.1° |
| O1 | C7 | C8 | C9 | 57.6° | 180.0° |
| O1 | C7 | C8 | H81 | 67.7° | 59.9° |
| O1 | C7 | C8 | H82 | 177.1° | 60.0° |
| O2 | C2 | C3 | H2 | 119.1° | 120.2° |
| O2 | C2 | C3 | O3 | 61.1° | 66.5° |
| O2 | C2 | C3 | C4 | 177.5° | 173.6° |
| O2 | C2 | C3 | H3 | 58.2° | 53.9° |
| C3 | C2 | O2 | HO2 | 60.2° | 179.6° |
| C2 | C3 | O3 | C4 | 121.6° | 119.2° |
| C2 | C3 | O3 | H3 | 119.0° | 120.3° |
| C2 | C3 | C4 | H3 | 119.0° | 119.7° |
| C2 | C3 | O3 | HO3 | 180.0° | 60.0° |
| C2 | C3 | C4 | O4 | 174.2° | 173.6° |
| C2 | C3 | C4 | C5 | 53.6° | 53.8° |
| C2 | C3 | C4 | H4 | 65.0° | 66.2° |
| H2 | C2 | O2 | HO2 | 59.9° | 60.2° |
| H2 | C2 | C3 | O3 | 58.0° | 53.7° |
| H2 | C2 | C3 | C4 | 63.4° | 66.2° |
| H2 | C2 | C3 | H3 | 177.3° | 174.1° |
| O3 | C3 | C4 | H3 | 119.3° | 120.5° |
| O3 | C3 | C4 | O4 | 64.1° | 66.6° |
| O3 | C3 | C4 | C5 | 175.3° | 173.6° |
| O3 | C3 | C4 | H4 | 56.8° | 53.6° |
| C4 | C3 | O3 | HO3 | 58.3° | 179.2° |
| C3 | C4 | O4 | C5 | 122.6° | 119.5° |
| C3 | C4 | O4 | H4 | 118.8° | 120.1° |
| C3 | C4 | C5 | H4 | 118.7° | 119.9° |
| C3 | C4 | O4 | HO4 | 180.0° | 60.0° |
| C3 | C4 | C5 | O5 | 49.1° | 61.4° |
| C3 | C4 | C5 | C6 | 168.6° | 178.6° |
| C3 | C4 | C5 | H5 | 71.9° | 58.6° |
| H3 | C3 | O3 | HO3 | 61.0° | 60.3° |
| H3 | C3 | C4 | O4 | 55.2° | 54.0° |
| H3 | C3 | C4 | C5 | 65.5° | 65.9° |
| H3 | C3 | C4 | H4 | 176.0° | 174.1° |
| O4 | C4 | C5 | H4 | 120.8° | 120.3° |
| O4 | C4 | C5 | O5 | 169.5° | 178.8° |
| O4 | C4 | C5 | C6 | 71.0° | 58.8° |
| O4 | C4 | C5 | H5 | 48.6° | 61.2° |
| C5 | C4 | O4 | HO4 | 57.4° | 179.6° |
| C4 | C5 | O5 | C6 | 123.2° | 120.0° |
| C4 | C5 | O5 | H5 | 117.0° | 120.1° |
| C4 | C5 | C6 | H5 | 116.9° | 120.0° |
| C4 | C5 | C6 | O6 | 67.6° | 179.9° |
| C4 | C5 | C6 | H61 | 167.1° | 60.1° |
| C4 | C5 | C6 | H62 | 57.6° | 59.9° |
| H4 | C4 | O4 | HO4 | 61.2° | 60.1° |
| H4 | C4 | C5 | O5 | 69.7° | 58.6° |
| H4 | C4 | C5 | C6 | 49.9° | 61.5° |
| H4 | C4 | C5 | H5 | 169.4° | 178.5° |
| O5 | C5 | C6 | H5 | 121.0° | 119.8° |
| O5 | C5 | C6 | O6 | 54.4° | 59.9° |
| O5 | C5 | C6 | H61 | 70.8° | 60.1° |
| O5 | C5 | C6 | H62 | 179.7° | 179.8° |
| C5 | C6 | O6 | H61 | 125.3° | 120.0° |
| C5 | C6 | O6 | H62 | 125.3° | 120.0° |
| C5 | C6 | H61 | H62 | 117.6° | 120.0° |
| C5 | C6 | O6 | HO6 | 180.0° | 180.0° |
| H5 | C5 | C6 | O6 | 175.4° | 59.9° |
| H5 | C5 | C6 | H61 | 50.2° | 179.9° |
| H5 | C5 | C6 | H62 | 59.3° | 60.0° |
| O6 | C6 | H61 | H62 | 117.5° | 120.0° |
| H61 | C6 | O6 | HO6 | 54.7° | 60.0° |
| H62 | C6 | O6 | HO6 | 54.7° | 60.0° |
| C8 | C7 | H71 | H72 | 117.7° | 119.9° |
| C7 | C8 | C9 | H81 | 125.3° | 120.0° |
| C7 | C8 | C9 | H82 | 125.3° | 119.9° |
| C7 | C8 | H81 | H82 | 116.8° | 119.9° |
| C7 | C8 | C9 | C10 | 36.3° | 178.6° |
| C7 | C8 | C9 | O9 | 86.4° | 112.5° |
| C7 | C8 | C9 | H9 | 154.5° | 34.5° |
| H71 | C7 | C8 | C9 | 177.1° | 59.9° |
| H71 | C7 | C8 | H81 | 57.6° | 180.0° |
| H71 | C7 | C8 | H82 | 51.8° | 60.1° |
| H72 | C7 | C8 | C9 | 67.7° | 60.0° |
| H72 | C7 | C8 | H81 | 167.0° | 60.1° |
| H72 | C7 | C8 | H82 | 57.6° | 180.0° |
| C9 | C8 | H81 | H82 | 117.0° | 120.0° |
| C8 | C9 | C10 | O9 | 122.5° | 106.9° |
| C8 | C9 | C10 | H9 | 118.3° | 146.2° |
| C8 | C9 | O9 | H9 | 118.4° | 146.3° |
| C8 | C9 | C10 | H101 | 112.1° | 146.3° |
| C8 | C9 | C10 | H102 | 2.7° | 0.1° |
| H81 | C8 | C9 | C10 | 161.6° | 61.3° |
| H81 | C8 | C9 | O9 | 38.9° | 127.5° |
| H81 | C8 | C9 | H9 | 80.3° | 85.6° |
| H82 | C8 | C9 | C10 | 88.9° | 58.7° |
| H82 | C8 | C9 | O9 | 148.4° | 7.4° |
| H82 | C8 | C9 | H9 | 29.2° | 154.4° |
| C10 | C9 | O9 | H9 | 118.3° | 106.8° |
| C9 | C10 | O9 | H101 | 125.2° | 106.8° |
| C9 | C10 | O9 | H102 | 125.1° | 106.8° |
| C9 | C10 | H101 | H102 | 141.3° | 147.0° |
| H9 | C9 | C10 | H101 | 6.2° | 0.1° |
| H9 | C9 | C10 | H102 | 115.6° | 146.3° |
| O9 | C10 | H101 | H102 | 141.5° | 147.0° |
