HZB
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O7 | C2 | sing | 1.43Å | 1.41Å | |
| O10 | C6 | sing | 1.43Å | 1.40Å | |
| C1 | C2 | sing | 1.53Å | 1.55Å | |
| C1 | C6 | sing | 1.53Å | 1.54Å | |
| C2 | C3 | sing | 1.53Å | 1.56Å | |
| C6 | C5 | sing | 1.53Å | 1.51Å | |
| C5 | C4 | sing | 1.53Å | 1.53Å | |
| C3 | O8 | sing | 1.43Å | 1.40Å | |
| C3 | C4 | sing | 1.53Å | 1.52Å | |
| C4 | O9 | sing | 1.43Å | 1.40Å | |
| O9 | C7 | sing | 1.43Å | 1.46Å | |
| O13 | C8 | sing | 1.43Å | 1.46Å | |
| C7 | C8 | sing | 1.53Å | 1.57Å | |
| C7 | O12 | sing | 1.43Å | 1.43Å | |
| C8 | C9 | sing | 1.53Å | 1.53Å | |
| O12 | C11 | sing | 1.43Å | 1.42Å | |
| C9 | O14 | sing | 1.43Å | 1.47Å | |
| C9 | C10 | sing | 1.53Å | 1.53Å | |
| C11 | C10 | sing | 1.53Å | 1.54Å | |
| C10 | O15 | sing | 1.43Å | 1.43Å | |
| C4 | H1 | sing | 1.09Å | 1.10Å | |
| C3 | H2 | sing | 1.09Å | 1.10Å | |
| C8 | H3 | sing | 1.09Å | 1.10Å | |
| C2 | H4 | sing | 1.09Å | 1.10Å | |
| C1 | H5 | sing | 1.09Å | 1.10Å | |
| C6 | H7 | sing | 1.09Å | 1.10Å | |
| C5 | H8 | sing | 1.09Å | 1.10Å | |
| C5 | H9 | sing | 1.09Å | 1.10Å | |
| C7 | H10 | sing | 1.09Å | 1.10Å | |
| C10 | H11 | sing | 1.09Å | 1.10Å | |
| C11 | H12 | sing | 1.09Å | 1.10Å | |
| C11 | H13 | sing | 1.09Å | 1.10Å | |
| O7 | H14 | sing | 0.97Å | 0.95Å | |
| O8 | H15 | sing | 0.97Å | 0.95Å | |
| O10 | H16 | sing | 0.97Å | 0.95Å | |
| C9 | H17 | sing | 1.09Å | 1.10Å | |
| O13 | H18 | sing | 0.97Å | 0.95Å | |
| O14 | H19 | sing | 0.97Å | 0.95Å | |
| O15 | H20 | sing | 0.97Å | 0.95Å | |
| C1 | O1 | sing | 1.43Å | 1.45Å | |
| O1 | H6 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O7 | C2 | C1 | 110.9° | 109.4° |
| O7 | C2 | C3 | 111.9° | 109.5° |
| O7 | C2 | H4 | 109.3° | 109.5° |
| C2 | O7 | H14 | 109.5° | 114.0° |
| O10 | C6 | C1 | 110.8° | 109.5° |
| O10 | C6 | C5 | 101.2° | 109.5° |
| O10 | C6 | H7 | 110.9° | 109.4° |
| C6 | O10 | H16 | 109.5° | 114.0° |
| C2 | C1 | C6 | 107.9° | 109.5° |
| C1 | C2 | C3 | 109.5° | 109.5° |
| C1 | C2 | H4 | 107.5° | 109.5° |
| C2 | C1 | H5 | 108.5° | 109.5° |
| C2 | C1 | O1 | 110.2° | 109.5° |
| C1 | C6 | C5 | 115.5° | 109.5° |
| C6 | C1 | H5 | 108.6° | 109.5° |
| C1 | C6 | H7 | 108.9° | 109.5° |
| C6 | C1 | O1 | 111.7° | 109.5° |
| C2 | C3 | O8 | 110.3° | 109.4° |
| C2 | C3 | C4 | 110.6° | 109.5° |
| C2 | C3 | H2 | 108.8° | 109.5° |
| C3 | C2 | H4 | 107.5° | 109.5° |
| C6 | C5 | C4 | 112.0° | 109.5° |
| C5 | C6 | H7 | 109.3° | 109.5° |
| C6 | C5 | H8 | 108.8° | 109.5° |
| C6 | C5 | H9 | 108.8° | 109.5° |
| C5 | C4 | C3 | 115.1° | 109.5° |
| C5 | C4 | O9 | 104.8° | 109.5° |
| C5 | C4 | H1 | 108.4° | 109.4° |
| C4 | C5 | H8 | 108.8° | 109.5° |
| C4 | C5 | H9 | 108.8° | 109.5° |
| O8 | C3 | C4 | 106.8° | 109.5° |
| O8 | C3 | H2 | 111.0° | 109.4° |
| C3 | O8 | H15 | 109.5° | 114.0° |
| C3 | C4 | O9 | 109.7° | 109.5° |
| C3 | C4 | H1 | 108.6° | 109.5° |
| C4 | C3 | H2 | 109.4° | 109.5° |
| C4 | O9 | C7 | 109.6° | 114.0° |
| O9 | C4 | H1 | 110.1° | 109.5° |
| O9 | C7 | C8 | 111.1° | 109.5° |
| O9 | C7 | O12 | 107.0° | 109.5° |
| O9 | C7 | H10 | 108.0° | 109.5° |
| O13 | C8 | C7 | 109.7° | 109.6° |
| O13 | C8 | C9 | 106.3° | 109.5° |
| O13 | C8 | H3 | 109.1° | 109.5° |
| C8 | O13 | H18 | 109.5° | 114.0° |
| C8 | C7 | O12 | 115.2° | 109.4° |
| C7 | C8 | C9 | 115.5° | 109.2° |
| C7 | C8 | H3 | 107.8° | 109.5° |
| C8 | C7 | H10 | 106.7° | 109.5° |
| C7 | O12 | C11 | 109.7° | 114.1° |
| O12 | C7 | H10 | 108.5° | 109.5° |
| C8 | C9 | O14 | 115.7° | 109.6° |
| C8 | C9 | C10 | 105.6° | 109.0° |
| C9 | C8 | H3 | 108.2° | 109.5° |
| C8 | C9 | H17 | 106.4° | 109.5° |
| O12 | C11 | C10 | 110.1° | 109.4° |
| O12 | C11 | H12 | 109.3° | 109.5° |
| O12 | C11 | H13 | 109.3° | 109.5° |
| O14 | C9 | C10 | 115.0° | 109.6° |
| O14 | C9 | H17 | 107.1° | 109.6° |
| C9 | O14 | H19 | 109.5° | 114.0° |
| C9 | C10 | C11 | 113.2° | 109.2° |
| C9 | C10 | O15 | 108.1° | 109.5° |
| C9 | C10 | H11 | 108.5° | 109.5° |
| C10 | C9 | H17 | 106.5° | 109.6° |
| C11 | C10 | O15 | 108.8° | 109.5° |
| C11 | C10 | H11 | 108.3° | 109.5° |
| C10 | C11 | H12 | 109.3° | 109.4° |
| C10 | C11 | H13 | 109.3° | 109.5° |
| O15 | C10 | H11 | 109.8° | 109.5° |
| C10 | O15 | H20 | 109.5° | 114.0° |
| H5 | C1 | O1 | 109.8° | 109.5° |
| H8 | C5 | H9 | 109.5° | 109.4° |
| H12 | C11 | H13 | 109.5° | 109.5° |
| C1 | O1 | H6 | 109.5° | 114.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O7 | C2 | C1 | C3 | 124.0° | 119.9° |
| O7 | C2 | C1 | H4 | 119.5° | 120.0° |
| O7 | C2 | C1 | C6 | 169.9° | 180.0° |
| O7 | C2 | C3 | H4 | 120.1° | 120.0° |
| O7 | C2 | C3 | O8 | 69.0° | 60.0° |
| O7 | C2 | C3 | C4 | 173.1° | 180.0° |
| O7 | C2 | C3 | H2 | 52.9° | 59.9° |
| O7 | C2 | C1 | H5 | 52.3° | 60.0° |
| O7 | C2 | C1 | O1 | 68.0° | 60.0° |
| O10 | C6 | C1 | C2 | 92.5° | 60.0° |
| O10 | C6 | C1 | C5 | 114.3° | 120.0° |
| O10 | C6 | C1 | H7 | 122.2° | 119.9° |
| O10 | C6 | C5 | H7 | 117.1° | 120.0° |
| O10 | C6 | C5 | C4 | 155.0° | 60.0° |
| O10 | C6 | C1 | H5 | 24.9° | 60.0° |
| O10 | C6 | C5 | H8 | 34.6° | 180.0° |
| O10 | C6 | C5 | H9 | 84.7° | 60.0° |
| O10 | C6 | C1 | O1 | 146.2° | 180.0° |
| C2 | C1 | C6 | H5 | 117.4° | 120.0° |
| C2 | C1 | C6 | O1 | 121.3° | 120.0° |
| C1 | C2 | C3 | H4 | 116.5° | 120.1° |
| C2 | C1 | C6 | C5 | 21.8° | 60.0° |
| C1 | C2 | C3 | O8 | 167.6° | 180.0° |
| C1 | C2 | C3 | C4 | 49.6° | 60.1° |
| C1 | C2 | C3 | H2 | 70.5° | 60.0° |
| C2 | C1 | H5 | O1 | 120.5° | 120.0° |
| C2 | C1 | C6 | H7 | 145.3° | 179.9° |
| C1 | C2 | O7 | H14 | 180.0° | 60.0° |
| C2 | C1 | O1 | H6 | 180.0° | 180.0° |
| C6 | C1 | C2 | C3 | 66.1° | 60.0° |
| C1 | C6 | C5 | H7 | 123.2° | 120.0° |
| C1 | C6 | C5 | C4 | 35.3° | 60.0° |
| C6 | C1 | C2 | H4 | 50.4° | 60.1° |
| C6 | C1 | H5 | O1 | 122.4° | 120.0° |
| C1 | C6 | C5 | H8 | 85.1° | 60.0° |
| C1 | C6 | C5 | H9 | 155.6° | 180.0° |
| C1 | C6 | O10 | H16 | 180.0° | 180.0° |
| C6 | C1 | O1 | H6 | 60.0° | 60.0° |
| C2 | C3 | C4 | C5 | 9.3° | 60.0° |
| C2 | C3 | O8 | C4 | 120.2° | 120.0° |
| C2 | C3 | O8 | H2 | 120.7° | 120.0° |
| C2 | C3 | C4 | H2 | 119.8° | 120.0° |
| C2 | C3 | C4 | O9 | 108.6° | 180.0° |
| C2 | C3 | C4 | H1 | 131.0° | 60.0° |
| C3 | C2 | C1 | H5 | 176.4° | 180.0° |
| C3 | C2 | O7 | H14 | 57.4° | 180.0° |
| C2 | C3 | O8 | H15 | 180.0° | 60.0° |
| C3 | C2 | C1 | O1 | 56.1° | 60.0° |
| C6 | C5 | C4 | H8 | 120.4° | 120.0° |
| C6 | C5 | C4 | H9 | 120.4° | 120.1° |
| C6 | C5 | C4 | C3 | 53.1° | 60.0° |
| C6 | C5 | C4 | O9 | 67.5° | 180.0° |
| C6 | C5 | C4 | H1 | 174.9° | 60.0° |
| C5 | C6 | C1 | H5 | 139.2° | 180.0° |
| C6 | C5 | H8 | H9 | 118.8° | 120.0° |
| C5 | C6 | O10 | H16 | 57.0° | 60.0° |
| C5 | C6 | C1 | O1 | 99.5° | 60.0° |
| C5 | C4 | C3 | O8 | 110.7° | 180.0° |
| C5 | C4 | C3 | O9 | 117.9° | 120.0° |
| C5 | C4 | C3 | H1 | 121.7° | 120.0° |
| C5 | C4 | O9 | H1 | 116.4° | 120.0° |
| C5 | C4 | O9 | C7 | 96.4° | 90.0° |
| C5 | C4 | C3 | H2 | 129.2° | 60.0° |
| C4 | C5 | C6 | H7 | 88.0° | 180.0° |
| C4 | C5 | H8 | H9 | 118.8° | 120.0° |
| O8 | C3 | C4 | H2 | 120.1° | 120.0° |
| O8 | C3 | C4 | O9 | 131.4° | 60.0° |
| O8 | C3 | C4 | H1 | 11.0° | 60.0° |
| O8 | C3 | C2 | H4 | 51.0° | 60.0° |
| C3 | C4 | O9 | H1 | 119.5° | 120.0° |
| C3 | C4 | O9 | C7 | 139.4° | 150.1° |
| C4 | C3 | C2 | H4 | 66.9° | 60.0° |
| C3 | C4 | C5 | H8 | 67.3° | 60.0° |
| C3 | C4 | C5 | H9 | 173.5° | 180.0° |
| C4 | C3 | O8 | H15 | 59.8° | 180.0° |
| C4 | O9 | C7 | C8 | 163.1° | 175.0° |
| C4 | O9 | C7 | O12 | 70.2° | 65.1° |
| O9 | C4 | C3 | H2 | 11.2° | 60.0° |
| O9 | C4 | C5 | H8 | 172.1° | 60.0° |
| O9 | C4 | C5 | H9 | 52.8° | 60.0° |
| C4 | O9 | C7 | H10 | 46.4° | 54.9° |
| O9 | C7 | C8 | O13 | 72.3° | 62.5° |
| O9 | C7 | C8 | O12 | 122.0° | 120.0° |
| O9 | C7 | C8 | H10 | 117.5° | 120.1° |
| O9 | C7 | O12 | H10 | 116.3° | 120.1° |
| O9 | C7 | C8 | C9 | 167.5° | 177.6° |
| O9 | C7 | O12 | C11 | 177.1° | 178.9° |
| C7 | O9 | C4 | H1 | 19.9° | 30.0° |
| O9 | C7 | C8 | H3 | 46.4° | 57.6° |
| O13 | C8 | C7 | C9 | 120.1° | 119.9° |
| O13 | C8 | C7 | H3 | 118.7° | 120.1° |
| O13 | C8 | C7 | O12 | 165.7° | 177.5° |
| O13 | C8 | C9 | H3 | 117.1° | 120.1° |
| O13 | C8 | C9 | O14 | 66.9° | 63.2° |
| O13 | C8 | C9 | C10 | 164.8° | 177.0° |
| O13 | C8 | C7 | H10 | 45.2° | 57.6° |
| O13 | C8 | C9 | H17 | 51.9° | 57.1° |
| C8 | C7 | O12 | H10 | 119.5° | 120.0° |
| C7 | C8 | C9 | H3 | 120.9° | 119.9° |
| C8 | C7 | O12 | C11 | 53.0° | 61.1° |
| C7 | C8 | C9 | O14 | 171.1° | 176.8° |
| C7 | C8 | C9 | C10 | 42.8° | 57.0° |
| C7 | C8 | C9 | H17 | 70.1° | 62.9° |
| C7 | C8 | O13 | H18 | 180.0° | 60.2° |
| O12 | C7 | C8 | C9 | 45.6° | 57.6° |
| C7 | O12 | C11 | C10 | 61.8° | 61.1° |
| O12 | C7 | C8 | H3 | 75.6° | 62.3° |
| C7 | O12 | C11 | H12 | 178.1° | 58.8° |
| C7 | O12 | C11 | H13 | 58.3° | 178.9° |
| C8 | C9 | O14 | C10 | 123.5° | 119.5° |
| C8 | C9 | O14 | H17 | 118.4° | 120.2° |
| C8 | C9 | C10 | H17 | 112.9° | 119.8° |
| C8 | C9 | C10 | C11 | 52.9° | 56.9° |
| C8 | C9 | C10 | O15 | 173.6° | 176.9° |
| C9 | C8 | C7 | H10 | 74.9° | 62.3° |
| C8 | C9 | C10 | H11 | 67.4° | 63.0° |
| C9 | C8 | O13 | H18 | 54.4° | 180.0° |
| C8 | C9 | O14 | H19 | 180.0° | 180.0° |
| O12 | C11 | C10 | C9 | 65.6° | 57.6° |
| O12 | C11 | C10 | H12 | 120.1° | 119.9° |
| O12 | C11 | C10 | H13 | 120.1° | 120.1° |
| O12 | C11 | C10 | O15 | 174.1° | 177.5° |
| C11 | O12 | C7 | H10 | 66.6° | 58.9° |
| O12 | C11 | C10 | H11 | 54.8° | 62.4° |
| O12 | C11 | H12 | H13 | 119.7° | 120.1° |
| O14 | C9 | C10 | H17 | 118.4° | 120.3° |
| O14 | C9 | C10 | C11 | 178.4° | 176.8° |
| O14 | C9 | C10 | O15 | 57.7° | 63.2° |
| O14 | C9 | C8 | H3 | 50.2° | 56.9° |
| O14 | C9 | C10 | H11 | 61.3° | 56.9° |
| C9 | C10 | C11 | O15 | 120.3° | 119.9° |
| C9 | C10 | C11 | H11 | 120.4° | 120.0° |
| C9 | C10 | O15 | H11 | 118.2° | 120.1° |
| C10 | C9 | C8 | H3 | 78.1° | 63.0° |
| C9 | C10 | C11 | H12 | 174.3° | 62.4° |
| C9 | C10 | C11 | H13 | 54.5° | 177.6° |
| C10 | C9 | O14 | H19 | 56.5° | 60.5° |
| C9 | C10 | O15 | H20 | 180.0° | 179.8° |
| C11 | C10 | O15 | H11 | 118.4° | 120.1° |
| C10 | C11 | H12 | H13 | 119.7° | 120.0° |
| C11 | C10 | C9 | H17 | 60.0° | 62.9° |
| C11 | C10 | O15 | H20 | 56.6° | 60.1° |
| O15 | C10 | C11 | H12 | 54.0° | 57.5° |
| O15 | C10 | C11 | H13 | 65.8° | 62.5° |
| O15 | C10 | C9 | H17 | 60.7° | 57.0° |
| H1 | C4 | C3 | H2 | 109.2° | 180.0° |
| H1 | C4 | C5 | H8 | 54.5° | 180.0° |
| H1 | C4 | C5 | H9 | 64.8° | 60.0° |
| H2 | C3 | C2 | H4 | 173.0° | 179.9° |
| H2 | C3 | O8 | H15 | 59.3° | 59.9° |
| H3 | C8 | C7 | H10 | 163.9° | 177.7° |
| H3 | C8 | C9 | H17 | 169.0° | 177.2° |
| H3 | C8 | O13 | H18 | 62.1° | 59.9° |
| H4 | C2 | C1 | H5 | 67.1° | 59.9° |
| H4 | C2 | O7 | H14 | 61.6° | 60.0° |
| H4 | C2 | C1 | O1 | 172.6° | 180.0° |
| H5 | C1 | C6 | H7 | 97.3° | 59.9° |
| H5 | C1 | O1 | H6 | 60.5° | 60.0° |
| H7 | C6 | C5 | H8 | 151.6° | 60.0° |
| H7 | C6 | C5 | H9 | 32.4° | 60.0° |
| H7 | C6 | O10 | H16 | 58.9° | 60.0° |
| H7 | C6 | C1 | O1 | 24.0° | 60.1° |
| H11 | C10 | C11 | H12 | 65.3° | 177.7° |
| H11 | C10 | C11 | H13 | 174.8° | 57.7° |
| H11 | C10 | C9 | H17 | 179.7° | 177.1° |
| H11 | C10 | O15 | H20 | 61.8° | 60.0° |
| H17 | C9 | O14 | H19 | 61.6° | 59.8° |
