HBE
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O11 | C10 | sing | 1.43Å | 1.42Å | |
| C10 | C6 | sing | 1.53Å | 1.52Å | |
| C6 | C5 | sing | 1.51Å | 1.54Å | |
| C6 | C1 | sing | 1.52Å | 1.52Å | |
| O12 | C1 | sing | 1.44Å | 1.42Å | |
| C5 | C4 | sing | 1.51Å | 1.51Å | |
| C5 | O7 | sing | 1.43Å | 1.45Å | |
| C1 | C2 | sing | 1.52Å | 1.51Å | |
| C4 | O8 | sing | 1.43Å | 1.42Å | |
| C4 | C3 | sing | 1.51Å | 1.53Å | |
| C2 | C3 | sing | 1.51Å | 1.54Å | |
| C3 | O9 | sing | 1.43Å | 1.41Å | |
| C3 | H1 | sing | 1.09Å | 1.10Å | |
| C4 | H2 | sing | 1.09Å | 1.10Å | |
| C5 | H3 | sing | 1.09Å | 1.10Å | |
| C1 | H4 | sing | 1.09Å | 1.10Å | |
| C2 | H5 | sing | 1.09Å | 1.10Å | |
| C6 | H7 | sing | 1.09Å | 1.10Å | |
| O7 | H8 | sing | 0.97Å | 0.95Å | |
| O8 | H9 | sing | 0.97Å | 0.95Å | |
| O9 | H10 | sing | 0.97Å | 0.95Å | |
| C10 | H11 | sing | 1.09Å | 1.10Å | |
| C10 | H12 | sing | 1.09Å | 1.10Å | |
| O11 | H13 | sing | 0.97Å | 0.95Å | |
| C2 | O12 | sing | 1.42Å | 2.27Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O11 | C10 | C6 | 110.0° | 109.5° |
| O11 | C10 | H11 | 109.3° | 109.4° |
| O11 | C10 | H12 | 109.3° | 109.6° |
| C10 | O11 | H13 | 109.5° | 114.0° |
| C10 | C6 | C5 | 109.3° | 108.9° |
| C10 | C6 | C1 | 111.3° | 109.0° |
| C10 | C6 | H7 | 107.2° | 108.8° |
| C6 | C10 | H11 | 109.3° | 109.5° |
| C6 | C10 | H12 | 109.3° | 109.5° |
| C5 | C6 | C1 | 114.5° | 112.3° |
| C6 | C5 | C4 | 109.6° | 112.9° |
| C6 | C5 | O7 | 111.4° | 108.8° |
| C6 | C5 | H3 | 108.3° | 108.7° |
| C5 | C6 | H7 | 107.0° | 108.9° |
| C6 | C1 | O12 | 112.5° | 115.8° |
| C6 | C1 | C2 | 116.2° | 120.7° |
| C6 | C1 | H4 | 108.4° | 115.3° |
| C1 | C6 | H7 | 107.2° | 108.9° |
| O12 | C1 | C2 | 101.1° | 57.3° |
| O12 | C1 | H4 | 109.8° | 117.7° |
| C1 | O12 | C2 | 40.9° | 64.3° |
| C4 | C5 | O7 | 109.6° | 108.8° |
| C5 | C4 | O8 | 108.0° | 108.8° |
| C5 | C4 | C3 | 106.9° | 112.9° |
| C5 | C4 | H2 | 110.0° | 108.7° |
| C4 | C5 | H3 | 108.6° | 108.8° |
| O7 | C5 | H3 | 109.3° | 108.8° |
| C5 | O7 | H8 | 109.5° | 114.0° |
| C1 | C2 | C3 | 113.5° | 120.1° |
| C2 | C1 | H4 | 108.5° | 117.5° |
| C1 | C2 | H5 | 122.5° | 116.1° |
| C1 | C2 | O12 | 38.0° | 58.4° |
| O8 | C4 | C3 | 110.7° | 108.7° |
| O8 | C4 | H2 | 111.3° | 108.8° |
| C4 | O8 | H9 | 109.5° | 114.1° |
| C4 | C3 | C2 | 114.7° | 112.6° |
| C4 | C3 | O9 | 108.8° | 108.8° |
| C4 | C3 | H1 | 107.3° | 108.8° |
| C3 | C4 | H2 | 109.8° | 108.8° |
| C2 | C3 | O9 | 109.9° | 108.8° |
| C2 | C3 | H1 | 107.1° | 108.9° |
| C3 | C2 | H5 | 121.8° | 114.9° |
| C3 | C2 | O12 | 102.9° | 120.4° |
| O9 | C3 | H1 | 108.8° | 108.8° |
| C3 | O9 | H10 | 109.5° | 114.0° |
| H5 | C2 | O12 | 111.0° | 115.5° |
| H11 | C10 | H12 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O11 | C10 | C6 | H11 | 120.1° | 119.9° |
| O11 | C10 | C6 | H12 | 120.1° | 120.1° |
| O11 | C10 | C6 | C5 | 173.3° | 65.0° |
| O11 | C10 | C6 | C1 | 59.2° | 172.3° |
| O11 | C10 | C6 | H7 | 57.7° | 53.7° |
| O11 | C10 | H11 | H12 | 119.7° | 120.1° |
| C10 | C6 | C5 | C1 | 125.7° | 120.8° |
| C10 | C6 | C5 | H7 | 115.7° | 118.6° |
| C10 | C6 | C1 | H7 | 116.9° | 118.6° |
| C10 | C6 | C1 | O12 | 142.3° | 154.1° |
| C10 | C6 | C5 | C4 | 158.5° | 167.2° |
| C10 | C6 | C5 | O7 | 37.1° | 46.3° |
| C10 | C6 | C1 | C2 | 101.8° | 140.1° |
| C10 | C6 | C5 | H3 | 83.2° | 72.0° |
| C10 | C6 | C1 | H4 | 20.6° | 11.0° |
| C6 | C10 | H11 | H12 | 119.8° | 120.0° |
| C6 | C10 | O11 | H13 | 180.0° | 180.0° |
| C5 | C6 | C1 | H7 | 118.5° | 120.7° |
| C5 | C6 | C1 | O12 | 93.1° | 85.2° |
| C6 | C5 | C4 | O7 | 122.5° | 120.9° |
| C6 | C5 | C4 | H3 | 118.1° | 120.7° |
| C6 | C5 | O7 | H3 | 119.6° | 118.2° |
| C5 | C6 | C1 | C2 | 22.8° | 19.4° |
| C6 | C5 | C4 | O8 | 171.8° | 176.3° |
| C6 | C5 | C4 | C3 | 69.1° | 62.8° |
| C6 | C5 | C4 | H2 | 50.1° | 58.0° |
| C5 | C6 | C1 | H4 | 145.2° | 131.7° |
| C6 | C5 | O7 | H8 | 180.0° | 176.6° |
| C5 | C6 | C10 | H11 | 66.6° | 55.0° |
| C5 | C6 | C10 | H12 | 53.3° | 174.9° |
| C6 | C1 | O12 | C2 | 124.6° | 111.4° |
| C6 | C1 | O12 | H4 | 120.9° | 142.2° |
| C1 | C6 | C5 | C4 | 32.9° | 46.5° |
| C1 | C6 | C5 | O7 | 88.5° | 74.4° |
| C6 | C1 | C2 | H4 | 122.4° | 150.5° |
| C6 | C1 | C2 | C3 | 41.5° | 6.6° |
| C1 | C6 | C5 | H3 | 151.2° | 167.3° |
| C6 | C1 | C2 | H5 | 155.1° | 152.0° |
| C1 | C6 | C10 | H11 | 60.9° | 67.8° |
| C1 | C6 | C10 | H12 | 179.2° | 52.2° |
| O12 | C1 | C2 | H4 | 115.4° | 106.7° |
| C1 | O12 | C2 | C3 | 111.9° | 108.7° |
| C1 | O12 | C2 | H5 | 116.3° | 106.1° |
| O12 | C1 | C6 | H7 | 25.4° | 35.5° |
| C4 | C5 | O7 | H3 | 118.9° | 118.4° |
| C5 | C4 | O8 | C3 | 116.7° | 123.4° |
| C5 | C4 | O8 | H2 | 120.9° | 118.3° |
| C5 | C4 | C3 | H2 | 119.3° | 120.8° |
| C5 | C4 | C3 | C2 | 50.1° | 47.0° |
| C5 | C4 | C3 | O9 | 173.6° | 167.8° |
| C5 | C4 | C3 | H1 | 68.8° | 73.7° |
| C4 | C5 | C6 | H7 | 85.7° | 74.2° |
| C4 | C5 | O7 | H8 | 58.5° | 60.0° |
| C5 | C4 | O8 | H9 | 180.0° | 176.6° |
| O7 | C5 | C4 | O8 | 65.7° | 62.8° |
| O7 | C5 | C4 | C3 | 53.5° | 58.1° |
| O7 | C5 | C4 | H2 | 172.6° | 178.9° |
| O7 | C5 | C6 | H7 | 152.8° | 164.9° |
| C1 | C2 | C3 | C4 | 4.0° | 19.8° |
| C1 | C2 | C3 | H5 | 163.5° | 145.9° |
| C1 | C2 | C3 | O9 | 119.0° | 140.5° |
| C1 | C2 | C3 | H1 | 123.0° | 101.0° |
| C2 | C1 | C6 | H7 | 141.3° | 101.3° |
| O8 | C4 | C3 | H2 | 123.3° | 118.3° |
| O8 | C4 | C3 | C2 | 167.4° | 167.9° |
| O8 | C4 | C3 | O9 | 69.0° | 71.3° |
| O8 | C4 | C3 | H1 | 48.6° | 47.2° |
| O8 | C4 | C5 | H3 | 53.7° | 55.6° |
| C4 | C3 | C2 | O9 | 123.0° | 120.8° |
| C4 | C3 | C2 | H1 | 119.0° | 120.7° |
| C4 | C3 | O9 | H1 | 116.6° | 118.5° |
| C3 | C4 | C5 | H3 | 172.8° | 176.4° |
| C4 | C3 | C2 | H5 | 167.5° | 165.6° |
| C3 | C4 | O8 | H9 | 63.3° | 60.1° |
| C4 | C3 | O9 | H10 | 180.0° | 58.5° |
| C4 | C3 | C2 | O12 | 42.5° | 49.0° |
| C2 | C3 | O9 | H1 | 117.0° | 118.5° |
| C2 | C3 | C4 | H2 | 69.2° | 73.8° |
| C3 | C2 | C1 | H4 | 164.0° | 143.9° |
| C3 | C2 | H5 | O12 | 121.2° | 147.1° |
| C2 | C3 | O9 | H10 | 53.6° | 178.5° |
| O9 | C3 | C4 | H2 | 54.3° | 47.0° |
| O9 | C3 | C2 | H5 | 44.6° | 73.6° |
| O9 | C3 | C2 | O12 | 80.5° | 71.8° |
| H1 | C3 | C4 | H2 | 171.9° | 165.5° |
| H1 | C3 | C2 | H5 | 73.5° | 44.9° |
| H1 | C3 | O9 | H10 | 63.4° | 60.0° |
| H1 | C3 | C2 | O12 | 161.5° | 169.7° |
| H2 | C4 | C5 | H3 | 68.0° | 62.8° |
| H2 | C4 | O8 | H9 | 59.1° | 58.2° |
| H3 | C5 | C6 | H7 | 32.6° | 46.6° |
| H3 | C5 | O7 | H8 | 60.4° | 58.4° |
| H4 | C1 | C2 | H5 | 32.6° | 1.6° |
| H4 | C1 | C6 | H7 | 96.2° | 107.6° |
| H7 | C6 | C10 | H11 | 177.8° | 173.6° |
| H7 | C6 | C10 | H12 | 62.4° | 66.4° |
| H11 | C10 | O11 | H13 | 59.9° | 60.1° |
| H12 | C10 | O11 | H13 | 59.9° | 60.0° |
