164
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O1 | C7 | doub | 1.21Å | 1.34Å | |
| C7 | O2 | sing | 1.34Å | 1.38Å | |
| C7 | C2 | sing | 1.51Å | 1.60Å | |
| O2 | HO2 | sing | 0.97Å | 0.95Å | |
| C2 | C3 | sing | 1.53Å | 1.45Å | |
| C2 | C1 | sing | 1.50Å | 1.57Å | |
| C2 | H2 | sing | 1.09Å | 1.12Å | |
| C3 | C4 | sing | 1.50Å | 1.49Å | |
| C3 | O9 | sing | 1.43Å | 1.50Å | |
| C3 | H3 | sing | 1.09Å | 1.11Å | |
| C4 | C5 | doub | 1.33Å | 1.39Å | |
| C4 | H4 | sing | 1.08Å | 1.10Å | |
| C5 | C6 | sing | 1.46Å | 1.54Å | |
| C5 | H5 | sing | 1.08Å | 1.10Å | |
| C6 | C1 | doub | 1.36Å | 1.50Å | |
| C6 | H6 | sing | 1.08Å | 1.10Å | |
| O9 | HO9 | sing | 0.97Å | 0.95Å | |
| C1 | C8 | sing | 1.41Å | 1.44Å | |
| C8 | O3 | doub | 1.22Å | 1.25Å | |
| C8 | C9 | sing | 1.51Å | 1.56Å | |
| C9 | C10 | sing | 1.53Å | 1.52Å | |
| C9 | H91 | sing | 1.09Å | 1.12Å | |
| C9 | H92 | sing | 1.09Å | 1.11Å | |
| C10 | C11 | sing | 1.51Å | 1.55Å | |
| C10 | H101 | sing | 1.09Å | 1.12Å | |
| C10 | H102 | sing | 1.09Å | 1.12Å | |
| C11 | O5 | sing | 1.34Å | 1.26Å | |
| C11 | O4 | doub | 1.21Å | 1.25Å | |
| O5 | HO5 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C7 | O2 | 111.4° | 120.1° |
| O1 | C7 | C2 | 124.0° | 120.0° |
| O2 | C7 | C2 | 124.6° | 120.0° |
| C7 | O2 | HO2 | 111.4° | 120.0° |
| C7 | C2 | C3 | 104.0° | 109.3° |
| C7 | C2 | C1 | 108.3° | 109.4° |
| C7 | C2 | H2 | 116.0° | 109.4° |
| C3 | C2 | C1 | 115.5° | 110.1° |
| C3 | C2 | H2 | 108.9° | 109.3° |
| C2 | C3 | C4 | 124.1° | 110.0° |
| C2 | C3 | O9 | 96.6° | 109.4° |
| C2 | C3 | H3 | 107.4° | 109.4° |
| C1 | C2 | H2 | 104.6° | 109.4° |
| C2 | C1 | C6 | 118.8° | 119.8° |
| C2 | C1 | C8 | 118.4° | 120.1° |
| C4 | C3 | O9 | 103.8° | 109.4° |
| C4 | C3 | H3 | 100.7° | 109.4° |
| C3 | C4 | C5 | 121.4° | 120.4° |
| C3 | C4 | H4 | 122.8° | 119.8° |
| O9 | C3 | H3 | 126.6° | 109.3° |
| C3 | O9 | HO9 | 96.7° | 106.8° |
| C5 | C4 | H4 | 115.8° | 119.8° |
| C4 | C5 | C6 | 118.7° | 119.8° |
| C4 | C5 | H5 | 115.8° | 120.0° |
| C6 | C5 | H5 | 125.4° | 120.2° |
| C5 | C6 | C1 | 120.7° | 119.5° |
| C5 | C6 | H6 | 121.2° | 120.3° |
| C1 | C6 | H6 | 118.2° | 120.2° |
| C6 | C1 | C8 | 122.8° | 120.1° |
| C1 | C8 | O3 | 123.9° | 120.0° |
| C1 | C8 | C9 | 112.2° | 120.0° |
| O3 | C8 | C9 | 123.6° | 120.0° |
| C8 | C9 | C10 | 110.4° | 109.5° |
| C8 | C9 | H91 | 111.9° | 109.5° |
| C8 | C9 | H92 | 111.9° | 109.4° |
| C10 | C9 | H91 | 111.8° | 109.5° |
| C10 | C9 | H92 | 111.9° | 109.4° |
| C9 | C10 | C11 | 111.6° | 109.5° |
| C9 | C10 | H101 | 111.4° | 109.5° |
| C9 | C10 | H102 | 111.5° | 109.4° |
| H91 | C9 | H92 | 98.6° | 109.5° |
| C11 | C10 | H101 | 111.4° | 109.5° |
| C11 | C10 | H102 | 111.4° | 109.4° |
| C10 | C11 | O5 | 124.7° | 120.0° |
| C10 | C11 | O4 | 112.4° | 120.0° |
| H101 | C10 | H102 | 98.9° | 109.4° |
| O5 | C11 | O4 | 122.9° | 120.0° |
| C11 | O5 | HO5 | 124.6° | 120.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C7 | O2 | C2 | 179.6° | 179.9° |
| O1 | C7 | O2 | HO2 | 180.0° | 0.0° |
| O1 | C7 | C2 | C3 | 147.3° | 0.6° |
| O1 | C7 | C2 | C1 | 24.0° | 120.0° |
| O1 | C7 | C2 | H2 | 93.2° | 120.2° |
| O2 | C7 | C2 | C3 | 32.2° | 179.5° |
| O2 | C7 | C2 | C1 | 155.6° | 59.9° |
| O2 | C7 | C2 | H2 | 87.3° | 59.9° |
| C2 | C7 | O2 | HO2 | 0.5° | 180.0° |
| C7 | C2 | C3 | C1 | 118.6° | 120.2° |
| C7 | C2 | C3 | H2 | 124.2° | 119.6° |
| C7 | C2 | C1 | H2 | 124.2° | 119.8° |
| C7 | C2 | C3 | C4 | 107.9° | 70.2° |
| C7 | C2 | C3 | O9 | 140.5° | 169.7° |
| C7 | C2 | C3 | H3 | 8.7° | 50.0° |
| C7 | C2 | C1 | C6 | 108.9° | 85.3° |
| C7 | C2 | C1 | C8 | 73.1° | 94.9° |
| C3 | C2 | C1 | H2 | 119.6° | 120.1° |
| C2 | C3 | C4 | O9 | 108.1° | 120.1° |
| C2 | C3 | C4 | H3 | 119.7° | 120.1° |
| C2 | C3 | O9 | H3 | 117.5° | 119.8° |
| C2 | C3 | C4 | C5 | 9.4° | 35.1° |
| C2 | C3 | C4 | H4 | 170.7° | 145.0° |
| C3 | C2 | C1 | C6 | 7.2° | 34.8° |
| C2 | C3 | O9 | HO9 | 180.0° | 179.8° |
| C3 | C2 | C1 | C8 | 170.8° | 145.0° |
| C1 | C2 | C3 | C4 | 10.7° | 50.0° |
| C1 | C2 | C3 | O9 | 101.0° | 70.1° |
| C1 | C2 | C3 | H3 | 127.3° | 170.1° |
| C2 | C1 | C6 | C5 | 2.5° | 0.0° |
| C2 | C1 | C6 | C8 | 177.9° | 179.9° |
| C2 | C1 | C6 | H6 | 177.5° | 179.9° |
| C2 | C1 | C8 | O3 | 9.6° | 179.9° |
| C2 | C1 | C8 | C9 | 176.6° | 0.1° |
| H2 | C2 | C3 | C4 | 127.9° | 170.2° |
| H2 | C2 | C3 | O9 | 16.3° | 50.0° |
| H2 | C2 | C3 | H3 | 115.5° | 69.7° |
| H2 | C2 | C1 | C6 | 126.8° | 154.9° |
| H2 | C2 | C1 | C8 | 51.2° | 25.0° |
| C4 | C3 | O9 | H3 | 114.9° | 119.7° |
| C3 | C4 | C5 | H4 | 180.0° | 179.9° |
| C3 | C4 | C5 | C6 | 3.7° | 0.2° |
| C3 | C4 | C5 | H5 | 176.3° | 179.8° |
| C4 | C3 | O9 | HO9 | 52.4° | 59.7° |
| O9 | C3 | C4 | C5 | 98.7° | 85.0° |
| O9 | C3 | C4 | H4 | 81.3° | 94.9° |
| H3 | C3 | C4 | C5 | 129.1° | 155.3° |
| H3 | C3 | C4 | H4 | 50.9° | 24.8° |
| H3 | C3 | O9 | HO9 | 62.5° | 60.0° |
| C4 | C5 | C6 | H5 | 179.9° | 180.0° |
| C4 | C5 | C6 | C1 | 0.7° | 19.3° |
| C4 | C5 | C6 | H6 | 179.4° | 160.8° |
| H4 | C4 | C5 | C6 | 176.4° | 179.9° |
| H4 | C4 | C5 | H5 | 3.7° | 0.1° |
| C5 | C6 | C1 | H6 | 180.0° | 179.9° |
| C5 | C6 | C1 | C8 | 175.4° | 179.8° |
| H5 | C5 | C6 | C1 | 179.2° | 160.7° |
| H5 | C5 | C6 | H6 | 0.7° | 19.2° |
| C6 | C1 | C8 | O3 | 168.3° | 0.0° |
| C6 | C1 | C8 | C9 | 5.5° | 180.0° |
| H6 | C6 | C1 | C8 | 4.6° | 0.2° |
| C1 | C8 | O3 | C9 | 173.0° | 180.0° |
| C1 | C8 | C9 | C10 | 174.2° | 180.0° |
| C1 | C8 | C9 | H91 | 48.9° | 59.9° |
| C1 | C8 | C9 | H92 | 60.6° | 60.0° |
| O3 | C8 | C9 | C10 | 0.4° | 0.1° |
| O3 | C8 | C9 | H91 | 124.8° | 120.0° |
| O3 | C8 | C9 | H92 | 125.7° | 120.0° |
| C8 | C9 | C10 | H91 | 125.3° | 120.1° |
| C8 | C9 | C10 | H92 | 125.3° | 119.9° |
| C8 | C9 | H91 | H92 | 117.8° | 120.0° |
| C8 | C9 | C10 | C11 | 72.3° | 180.0° |
| C8 | C9 | C10 | H101 | 53.0° | 59.9° |
| C8 | C9 | C10 | H102 | 162.4° | 60.1° |
| C10 | C9 | H91 | H92 | 117.8° | 119.9° |
| C9 | C10 | C11 | H101 | 125.3° | 120.1° |
| C9 | C10 | C11 | H102 | 125.3° | 119.9° |
| C9 | C10 | H101 | H102 | 117.3° | 119.9° |
| C9 | C10 | C11 | O5 | 10.6° | 179.9° |
| C9 | C10 | C11 | O4 | 167.1° | 0.1° |
| H91 | C9 | C10 | C11 | 162.5° | 59.9° |
| H91 | C9 | C10 | H101 | 72.3° | 180.0° |
| H91 | C9 | C10 | H102 | 37.1° | 60.0° |
| H92 | C9 | C10 | C11 | 53.0° | 60.1° |
| H92 | C9 | C10 | H101 | 178.2° | 60.1° |
| H92 | C9 | C10 | H102 | 72.3° | 180.0° |
| C11 | C10 | H101 | H102 | 117.3° | 119.9° |
| C10 | C11 | O5 | O4 | 177.4° | 180.0° |
| C10 | C11 | O5 | HO5 | 180.0° | 179.9° |
| H101 | C10 | C11 | O5 | 135.9° | 60.0° |
| H101 | C10 | C11 | O4 | 41.8° | 120.1° |
| H102 | C10 | C11 | O5 | 114.7° | 60.0° |
| H102 | C10 | C11 | O4 | 67.6° | 120.0° |
| O4 | C11 | O5 | HO5 | 2.5° | 0.1° |
