ENL
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O2 | C8 | doub | 1.21Å | 1.25Å | |
| C8 | O5 | sing | 1.34Å | 1.26Å | |
| C8 | C4 | sing | 1.51Å | 1.51Å | |
| C4 | C6 | sing | 1.56Å | 1.53Å | |
| C4 | C3 | sing | 1.55Å | 1.54Å | |
| C6 | C5 | sing | 1.56Å | 1.53Å | |
| C6 | O1 | sing | 1.47Å | 1.43Å | |
| C5 | C1 | sing | 1.55Å | 1.53Å | |
| O1 | C2 | sing | 1.47Å | 1.43Å | |
| C3 | C7 | sing | 1.51Å | 1.50Å | |
| C3 | C2 | sing | 1.56Å | 1.52Å | |
| C7 | O4 | doub | 1.21Å | 1.24Å | |
| C7 | O3 | sing | 1.34Å | 1.26Å | |
| C2 | C1 | sing | 1.56Å | 1.53Å | |
| O5 | HO5 | sing | 0.97Å | 0.95Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C5 | H5A | sing | 1.09Å | 1.10Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| O3 | HO3 | sing | 0.97Å | 0.95Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H1A | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O2 | C8 | O5 | 121.5° | 120.0° |
| O2 | C8 | C4 | 118.0° | 120.0° |
| O5 | C8 | C4 | 120.5° | 120.0° |
| C8 | O5 | HO5 | 109.5° | 117.0° |
| C8 | C4 | C6 | 114.5° | 110.7° |
| C8 | C4 | C3 | 110.9° | 110.8° |
| C8 | C4 | H4 | 102.8° | 110.6° |
| C6 | C4 | C3 | 101.0° | 102.8° |
| C4 | C6 | C5 | 108.0° | 105.3° |
| C4 | C6 | O1 | 101.5° | 101.2° |
| C6 | C4 | H4 | 112.3° | 110.7° |
| C4 | C6 | H6 | 113.3° | 115.4° |
| C4 | C3 | C7 | 114.8° | 110.8° |
| C4 | C3 | C2 | 102.0° | 102.8° |
| C3 | C4 | H4 | 115.9° | 111.0° |
| C4 | C3 | H3 | 110.9° | 110.8° |
| C5 | C6 | O1 | 102.3° | 101.2° |
| C6 | C5 | C1 | 102.9° | 102.8° |
| C5 | C6 | H6 | 112.5° | 115.4° |
| C6 | C5 | H5 | 111.7° | 110.8° |
| C6 | C5 | H5A | 113.1° | 110.7° |
| C6 | O1 | C2 | 97.3° | 99.7° |
| O1 | C6 | H6 | 118.1° | 116.2° |
| C5 | C1 | C2 | 100.4° | 102.8° |
| C1 | C5 | H5 | 111.7° | 110.7° |
| C1 | C5 | H5A | 113.1° | 110.7° |
| C5 | C1 | H1 | 112.6° | 110.7° |
| C5 | C1 | H1A | 114.5° | 110.7° |
| O1 | C2 | C3 | 101.7° | 101.2° |
| O1 | C2 | C1 | 102.1° | 101.2° |
| O1 | C2 | H2 | 118.9° | 115.7° |
| C7 | C3 | C2 | 109.2° | 110.7° |
| C3 | C7 | O4 | 118.7° | 120.0° |
| C3 | C7 | O3 | 120.2° | 120.0° |
| C7 | C3 | H3 | 103.9° | 110.7° |
| C3 | C2 | C1 | 110.6° | 105.3° |
| C2 | C3 | H3 | 116.4° | 110.9° |
| C3 | C2 | H2 | 111.5° | 115.4° |
| O4 | C7 | O3 | 121.1° | 120.0° |
| C7 | O3 | HO3 | 109.5° | 117.0° |
| C1 | C2 | H2 | 111.2° | 115.9° |
| C2 | C1 | H1 | 112.6° | 110.8° |
| C2 | C1 | H1A | 114.5° | 110.8° |
| H5 | C5 | H5A | 104.5° | 110.8° |
| H1 | C1 | H1A | 102.7° | 110.8° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O2 | C8 | O5 | C4 | 179.5° | 179.8° |
| O2 | C8 | C4 | C6 | 12.2° | 26.6° |
| O2 | C8 | C4 | C3 | 101.2° | 86.8° |
| O2 | C8 | O5 | HO5 | 0.0° | 0.0° |
| O2 | C8 | C4 | H4 | 134.3° | 149.7° |
| O5 | C8 | C4 | C6 | 168.2° | 153.2° |
| O5 | C8 | C4 | C3 | 78.3° | 93.4° |
| O5 | C8 | C4 | H4 | 46.1° | 30.1° |
| C8 | C4 | C6 | C3 | 119.2° | 118.4° |
| C8 | C4 | C6 | H4 | 116.8° | 123.1° |
| C8 | C4 | C3 | H4 | 116.6° | 123.3° |
| C8 | C4 | C6 | C5 | 169.0° | 169.0° |
| C8 | C4 | C6 | O1 | 83.8° | 86.0° |
| C8 | C4 | C3 | C7 | 2.8° | 0.0° |
| C8 | C4 | C3 | C2 | 120.8° | 118.3° |
| C4 | C8 | O5 | HO5 | 179.5° | 179.8° |
| C8 | C4 | C6 | H6 | 43.8° | 40.4° |
| C8 | C4 | C3 | H3 | 114.6° | 123.2° |
| C6 | C4 | C3 | H4 | 121.6° | 118.4° |
| C4 | C6 | C5 | O1 | 106.6° | 105.1° |
| C4 | C6 | C5 | H6 | 125.7° | 128.5° |
| C4 | C6 | O1 | H6 | 124.4° | 125.8° |
| C4 | C6 | C5 | C1 | 76.3° | 72.7° |
| C4 | C6 | O1 | C2 | 57.5° | 54.1° |
| C6 | C4 | C3 | C7 | 118.9° | 118.3° |
| C6 | C4 | C3 | C2 | 1.0° | 0.0° |
| C4 | C6 | C5 | H5 | 43.7° | 45.7° |
| C4 | C6 | C5 | H5A | 161.3° | 169.0° |
| C6 | C4 | C3 | H3 | 123.6° | 118.4° |
| C3 | C4 | C6 | C5 | 71.8° | 72.7° |
| C3 | C4 | C6 | O1 | 35.4° | 32.4° |
| C4 | C3 | C2 | O1 | 33.6° | 32.4° |
| C4 | C3 | C7 | C2 | 113.8° | 113.4° |
| C4 | C3 | C7 | H3 | 121.4° | 123.3° |
| C4 | C3 | C2 | H3 | 120.9° | 118.4° |
| C4 | C3 | C7 | O4 | 54.8° | 89.2° |
| C4 | C3 | C7 | O3 | 126.2° | 90.7° |
| C4 | C3 | C2 | C1 | 74.3° | 72.7° |
| C3 | C4 | C6 | H6 | 163.0° | 158.8° |
| C4 | C3 | C2 | H2 | 161.4° | 158.1° |
| C5 | C6 | O1 | H6 | 124.1° | 125.9° |
| C6 | C5 | C1 | H5 | 120.0° | 118.3° |
| C6 | C5 | C1 | H5A | 122.4° | 118.3° |
| C5 | C6 | O1 | C2 | 54.0° | 54.2° |
| C6 | C5 | C1 | C2 | 4.2° | 0.0° |
| C5 | C6 | C4 | H4 | 52.3° | 45.9° |
| C6 | C5 | H5 | H5A | 122.7° | 123.3° |
| C6 | C5 | C1 | H1 | 124.2° | 118.3° |
| C6 | C5 | C1 | H1A | 119.0° | 118.3° |
| O1 | C6 | C5 | C1 | 30.3° | 32.4° |
| C6 | O1 | C2 | C3 | 56.9° | 54.1° |
| C6 | O1 | C2 | C1 | 57.5° | 54.1° |
| O1 | C6 | C4 | H4 | 159.4° | 151.0° |
| O1 | C6 | C5 | H5 | 150.3° | 150.7° |
| O1 | C6 | C5 | H5A | 92.1° | 85.9° |
| C6 | O1 | C2 | H2 | 179.7° | 179.7° |
| C5 | C1 | C2 | O1 | 37.4° | 32.4° |
| C5 | C1 | C2 | C3 | 70.2° | 72.7° |
| C5 | C1 | C2 | H1 | 120.0° | 118.3° |
| C5 | C1 | C2 | H1A | 123.1° | 118.3° |
| C1 | C5 | C6 | H6 | 158.0° | 158.8° |
| C1 | C5 | H5 | H5A | 122.6° | 123.3° |
| C5 | C1 | C2 | H2 | 165.3° | 158.5° |
| C5 | C1 | H1 | H1A | 123.6° | 123.3° |
| O1 | C2 | C3 | C7 | 88.2° | 86.0° |
| O1 | C2 | C3 | C1 | 107.9° | 105.1° |
| O1 | C2 | C3 | H2 | 127.8° | 125.8° |
| O1 | C2 | C1 | H2 | 127.9° | 126.1° |
| C2 | O1 | C6 | H6 | 178.1° | 180.0° |
| O1 | C2 | C3 | H3 | 154.5° | 150.8° |
| O1 | C2 | C1 | H1 | 157.4° | 150.7° |
| O1 | C2 | C1 | H1A | 85.7° | 85.9° |
| C7 | C3 | C2 | H3 | 117.2° | 123.3° |
| C3 | C7 | O4 | O3 | 179.0° | 180.0° |
| C7 | C3 | C2 | C1 | 163.8° | 169.0° |
| C7 | C3 | C4 | H4 | 119.5° | 123.3° |
| C3 | C7 | O3 | HO3 | 179.0° | 180.0° |
| C7 | C3 | C2 | H2 | 39.6° | 39.8° |
| C2 | C3 | C7 | O4 | 59.0° | 24.1° |
| C2 | C3 | C7 | O3 | 120.0° | 155.9° |
| C3 | C2 | C1 | H2 | 124.5° | 128.9° |
| C2 | C3 | C4 | H4 | 122.6° | 118.4° |
| C3 | C2 | C1 | H1 | 49.8° | 45.6° |
| C3 | C2 | C1 | H1A | 166.7° | 169.0° |
| O4 | C7 | C3 | H3 | 176.1° | 147.5° |
| O4 | C7 | O3 | HO3 | 0.0° | 0.0° |
| O3 | C7 | C3 | H3 | 4.8° | 32.5° |
| C2 | C1 | C5 | H5 | 115.8° | 118.3° |
| C2 | C1 | C5 | H5A | 126.6° | 118.3° |
| C1 | C2 | C3 | H3 | 46.6° | 45.7° |
| C2 | C1 | H1 | H1A | 123.7° | 123.3° |
| H4 | C4 | C6 | H6 | 72.9° | 82.6° |
| H4 | C4 | C3 | H3 | 2.0° | 0.1° |
| H6 | C6 | C5 | H5 | 82.0° | 82.9° |
| H6 | C6 | C5 | H5A | 35.6° | 40.5° |
| H5 | C5 | C1 | H1 | 4.2° | 0.0° |
| H5 | C5 | C1 | H1A | 121.0° | 123.3° |
| H5A | C5 | C1 | H1 | 113.4° | 123.3° |
| H5A | C5 | C1 | H1A | 3.5° | 0.0° |
| H3 | C3 | C2 | H2 | 77.7° | 83.5° |
| H2 | C2 | C1 | H1 | 74.7° | 83.2° |
| H2 | C2 | C1 | H1A | 42.2° | 40.1° |
