BQZ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O6 | C6 | sing | 1.43Å | 1.44Å | |
| C6 | C5 | sing | 1.53Å | 1.52Å | |
| O5 | C5 | sing | 1.43Å | 1.48Å | |
| O5 | C1 | sing | 1.43Å | 1.45Å | |
| C5 | C4 | sing | 1.53Å | 1.54Å | |
| O4 | C4 | sing | 1.43Å | 1.41Å | |
| O12 | C12 | sing | 1.43Å | 1.42Å | |
| C4 | C3 | sing | 1.53Å | 1.56Å | |
| C11 | O11 | sing | 1.43Å | 1.42Å | |
| C11 | C12 | sing | 1.53Å | 1.54Å | |
| C11 | C10 | sing | 1.53Å | 1.56Å | |
| O10 | C10 | sing | 1.43Å | 1.42Å | |
| C1 | O1 | sing | 1.43Å | 1.45Å | |
| C1 | C2 | sing | 1.53Å | 1.54Å | |
| C7 | C12 | sing | 1.53Å | 1.56Å | |
| C7 | O1 | sing | 1.43Å | 1.44Å | |
| C7 | C8 | sing | 1.53Å | 1.55Å | |
| C9 | C10 | sing | 1.53Å | 1.55Å | |
| C9 | O9 | sing | 1.43Å | 1.39Å | |
| C9 | C8 | sing | 1.53Å | 1.53Å | |
| C8 | O8 | sing | 1.43Å | 1.47Å | |
| C2 | C3 | sing | 1.53Å | 1.55Å | |
| C2 | O2 | sing | 1.43Å | 1.40Å | |
| C3 | O3 | sing | 1.43Å | 1.43Å | |
| C4 | H1 | sing | 1.09Å | 1.10Å | |
| C5 | H2 | sing | 1.09Å | 1.10Å | |
| C6 | H3 | sing | 1.09Å | 1.10Å | |
| C6 | H4 | sing | 1.09Å | 1.10Å | |
| C11 | H5 | sing | 1.09Å | 1.10Å | |
| C7 | H6 | sing | 1.09Å | 1.10Å | |
| C8 | H7 | sing | 1.09Å | 1.10Å | |
| C9 | H8 | sing | 1.09Å | 1.10Å | |
| C10 | H9 | sing | 1.09Å | 1.10Å | |
| C12 | H10 | sing | 1.09Å | 1.10Å | |
| C3 | H11 | sing | 1.09Å | 1.10Å | |
| C1 | H12 | sing | 1.09Å | 1.10Å | |
| C2 | H13 | sing | 1.09Å | 1.10Å | |
| O2 | H14 | sing | 0.97Å | 0.95Å | |
| O3 | H15 | sing | 0.97Å | 0.95Å | |
| O4 | H16 | sing | 0.97Å | 0.95Å | |
| O6 | H17 | sing | 0.97Å | 0.95Å | |
| O8 | H18 | sing | 0.97Å | 0.95Å | |
| O9 | H19 | sing | 0.97Å | 0.95Å | |
| O10 | H20 | sing | 0.97Å | 0.95Å | |
| O11 | H21 | sing | 0.97Å | 0.95Å | |
| O12 | H22 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O6 | C6 | C5 | 108.1° | 109.5° |
| O6 | C6 | H3 | 109.8° | 109.5° |
| O6 | C6 | H4 | 109.8° | 109.4° |
| C6 | O6 | H17 | 109.5° | 114.1° |
| C6 | C5 | O5 | 111.0° | 109.5° |
| C6 | C5 | C4 | 113.0° | 109.5° |
| C6 | C5 | H2 | 107.9° | 109.5° |
| C5 | C6 | H3 | 109.8° | 109.5° |
| C5 | C6 | H4 | 109.8° | 109.5° |
| C5 | O5 | C1 | 115.8° | 114.1° |
| O5 | C5 | C4 | 108.6° | 109.4° |
| O5 | C5 | H2 | 108.4° | 109.5° |
| O5 | C1 | O1 | 111.1° | 109.5° |
| O5 | C1 | C2 | 108.7° | 109.4° |
| O5 | C1 | H12 | 109.2° | 109.5° |
| C5 | C4 | O4 | 109.2° | 109.6° |
| C5 | C4 | C3 | 108.8° | 109.1° |
| C5 | C4 | H1 | 109.3° | 109.5° |
| C4 | C5 | H2 | 107.7° | 109.5° |
| O4 | C4 | C3 | 109.5° | 109.5° |
| O4 | C4 | H1 | 111.0° | 109.5° |
| C4 | O4 | H16 | 109.5° | 114.0° |
| O12 | C12 | C11 | 108.1° | 109.5° |
| O12 | C12 | C7 | 110.4° | 109.5° |
| O12 | C12 | H10 | 109.7° | 109.5° |
| C12 | O12 | H22 | 109.5° | 114.0° |
| C4 | C3 | C2 | 110.2° | 109.1° |
| C4 | C3 | O3 | 107.2° | 109.5° |
| C3 | C4 | H1 | 109.0° | 109.5° |
| C4 | C3 | H11 | 108.9° | 109.6° |
| O11 | C11 | C12 | 107.9° | 109.5° |
| O11 | C11 | C10 | 110.7° | 109.4° |
| O11 | C11 | H5 | 110.2° | 109.5° |
| C11 | O11 | H21 | 109.5° | 114.0° |
| C12 | C11 | C10 | 111.1° | 109.5° |
| C11 | C12 | C7 | 112.7° | 109.4° |
| C12 | C11 | H5 | 108.5° | 109.5° |
| C11 | C12 | H10 | 108.0° | 109.5° |
| C11 | C10 | O10 | 110.1° | 109.4° |
| C11 | C10 | C9 | 110.5° | 109.5° |
| C10 | C11 | H5 | 108.4° | 109.5° |
| C11 | C10 | H9 | 108.3° | 109.5° |
| O10 | C10 | C9 | 109.3° | 109.5° |
| O10 | C10 | H9 | 110.1° | 109.4° |
| C10 | O10 | H20 | 109.5° | 114.0° |
| O1 | C1 | C2 | 110.5° | 109.5° |
| C1 | O1 | C7 | 115.9° | 114.0° |
| O1 | C1 | H12 | 109.3° | 109.5° |
| C1 | C2 | C3 | 111.8° | 109.1° |
| C1 | C2 | O2 | 110.4° | 109.5° |
| C2 | C1 | H12 | 108.0° | 109.5° |
| C1 | C2 | H13 | 106.8° | 109.5° |
| C12 | C7 | O1 | 108.8° | 109.4° |
| C12 | C7 | C8 | 111.6° | 109.5° |
| C12 | C7 | H6 | 108.1° | 109.5° |
| C7 | C12 | H10 | 107.9° | 109.5° |
| O1 | C7 | C8 | 110.5° | 109.4° |
| O1 | C7 | H6 | 109.7° | 109.4° |
| C7 | C8 | C9 | 109.4° | 109.4° |
| C7 | C8 | O8 | 110.2° | 109.5° |
| C8 | C7 | H6 | 108.2° | 109.5° |
| C7 | C8 | H7 | 108.0° | 109.4° |
| C10 | C9 | O9 | 110.8° | 109.4° |
| C10 | C9 | C8 | 112.3° | 109.5° |
| C10 | C9 | H8 | 107.4° | 109.4° |
| C9 | C10 | H9 | 108.4° | 109.5° |
| O9 | C9 | C8 | 109.1° | 109.5° |
| O9 | C9 | H8 | 109.6° | 109.5° |
| C9 | O9 | H19 | 109.5° | 114.0° |
| C9 | C8 | O8 | 111.9° | 109.5° |
| C9 | C8 | H7 | 108.2° | 109.5° |
| C8 | C9 | H8 | 107.6° | 109.5° |
| O8 | C8 | H7 | 109.0° | 109.5° |
| C8 | O8 | H18 | 109.5° | 114.0° |
| C3 | C2 | O2 | 112.2° | 109.5° |
| C2 | C3 | O3 | 110.7° | 109.5° |
| C2 | C3 | H11 | 109.1° | 109.6° |
| C3 | C2 | H13 | 106.7° | 109.5° |
| O2 | C2 | H13 | 108.6° | 109.6° |
| C2 | O2 | H14 | 109.5° | 114.0° |
| O3 | C3 | H11 | 110.7° | 109.5° |
| C3 | O3 | H15 | 109.5° | 114.0° |
| H3 | C6 | H4 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O6 | C6 | C5 | H3 | 119.8° | 120.0° |
| O6 | C6 | C5 | H4 | 119.8° | 120.0° |
| O6 | C6 | C5 | O5 | 57.4° | 65.0° |
| O6 | C6 | C5 | C4 | 179.7° | 175.0° |
| O6 | C6 | C5 | H2 | 61.3° | 55.0° |
| O6 | C6 | H3 | H4 | 120.6° | 120.0° |
| C6 | C5 | O5 | C4 | 124.9° | 120.0° |
| C6 | C5 | O5 | H2 | 118.4° | 120.0° |
| C6 | C5 | O5 | C1 | 173.2° | 178.8° |
| C6 | C5 | C4 | H2 | 119.1° | 120.0° |
| C6 | C5 | C4 | O4 | 62.1° | 57.7° |
| C6 | C5 | C4 | C3 | 178.4° | 177.6° |
| C6 | C5 | C4 | H1 | 59.5° | 62.5° |
| C5 | C6 | H3 | H4 | 120.6° | 120.0° |
| C5 | C6 | O6 | H17 | 180.0° | 180.0° |
| O5 | C5 | C4 | H2 | 117.2° | 120.0° |
| O5 | C5 | C4 | O4 | 61.6° | 62.3° |
| O5 | C5 | C4 | C3 | 57.9° | 57.6° |
| C5 | O5 | C1 | O1 | 63.4° | 58.8° |
| C5 | O5 | C1 | C2 | 58.4° | 61.2° |
| O5 | C5 | C4 | H1 | 176.8° | 177.5° |
| O5 | C5 | C6 | H3 | 62.4° | 175.0° |
| O5 | C5 | C6 | H4 | 177.1° | 54.9° |
| C5 | O5 | C1 | H12 | 176.0° | 178.9° |
| C1 | O5 | C5 | C4 | 62.0° | 61.2° |
| O5 | C1 | O1 | C2 | 120.7° | 120.0° |
| O5 | C1 | O1 | H12 | 120.5° | 120.0° |
| O5 | C1 | C2 | H12 | 118.4° | 120.0° |
| O5 | C1 | O1 | C7 | 72.0° | 70.1° |
| O5 | C1 | C2 | C3 | 53.0° | 57.6° |
| O5 | C1 | C2 | O2 | 178.7° | 177.5° |
| C1 | O5 | C5 | H2 | 54.8° | 58.8° |
| O5 | C1 | C2 | H13 | 63.4° | 62.2° |
| C5 | C4 | O4 | C3 | 119.1° | 119.7° |
| C5 | C4 | O4 | H1 | 120.5° | 120.1° |
| C5 | C4 | C3 | H1 | 119.1° | 119.9° |
| C5 | C4 | C3 | C2 | 56.1° | 57.0° |
| C5 | C4 | C3 | O3 | 176.7° | 176.9° |
| C4 | C5 | C6 | H3 | 59.9° | 55.0° |
| C4 | C5 | C6 | H4 | 60.5° | 65.0° |
| C5 | C4 | C3 | H11 | 63.5° | 63.0° |
| C5 | C4 | O4 | H16 | 180.0° | 179.7° |
| O4 | C4 | C3 | H1 | 121.6° | 120.2° |
| O4 | C4 | C3 | C2 | 63.2° | 63.0° |
| O4 | C4 | C3 | O3 | 57.4° | 56.9° |
| O4 | C4 | C5 | H2 | 178.8° | 177.7° |
| O4 | C4 | C3 | H11 | 177.2° | 177.0° |
| O12 | C12 | C11 | O11 | 63.7° | 60.0° |
| O12 | C12 | C11 | C7 | 122.3° | 120.0° |
| O12 | C12 | C11 | H10 | 118.6° | 120.0° |
| O12 | C12 | C11 | C10 | 174.7° | 180.0° |
| O12 | C12 | C7 | H10 | 119.9° | 120.1° |
| O12 | C12 | C7 | O1 | 62.9° | 60.0° |
| O12 | C12 | C7 | C8 | 174.9° | 180.0° |
| O12 | C12 | C11 | H5 | 55.6° | 60.0° |
| O12 | C12 | C7 | H6 | 56.1° | 60.0° |
| C4 | C3 | C2 | C1 | 54.2° | 57.0° |
| C4 | C3 | C2 | O3 | 118.5° | 119.9° |
| C4 | C3 | C2 | H11 | 119.6° | 120.0° |
| C4 | C3 | C2 | O2 | 178.9° | 176.9° |
| C4 | C3 | O3 | H11 | 118.7° | 120.2° |
| C3 | C4 | C5 | H2 | 59.3° | 62.4° |
| C4 | C3 | C2 | H13 | 62.3° | 62.9° |
| C4 | C3 | O3 | H15 | 180.0° | 180.0° |
| C3 | C4 | O4 | H16 | 60.9° | 60.0° |
| O11 | C11 | C12 | C10 | 121.5° | 119.9° |
| O11 | C11 | C12 | H5 | 119.3° | 120.0° |
| O11 | C11 | C10 | H5 | 120.9° | 120.0° |
| O11 | C11 | C10 | O10 | 65.8° | 60.0° |
| O11 | C11 | C12 | C7 | 174.0° | 179.9° |
| O11 | C11 | C10 | C9 | 173.3° | 180.0° |
| O11 | C11 | C10 | H9 | 54.7° | 59.9° |
| O11 | C11 | C12 | H10 | 54.9° | 60.0° |
| C12 | C11 | C10 | H5 | 119.2° | 120.0° |
| C12 | C11 | C10 | O10 | 174.3° | 180.0° |
| C11 | C12 | C7 | H10 | 119.1° | 119.9° |
| C11 | C12 | C7 | O1 | 176.1° | 180.0° |
| C11 | C12 | C7 | C8 | 53.9° | 60.0° |
| C12 | C11 | C10 | C9 | 53.5° | 60.0° |
| C11 | C12 | C7 | H6 | 64.9° | 60.0° |
| C12 | C11 | C10 | H9 | 65.2° | 60.0° |
| C12 | C11 | O11 | H21 | 180.0° | 180.0° |
| C11 | C12 | O12 | H22 | 180.0° | 60.0° |
| C11 | C10 | O10 | C9 | 121.6° | 120.0° |
| C11 | C10 | O10 | H9 | 119.4° | 120.0° |
| C10 | C11 | C12 | C7 | 52.4° | 60.0° |
| C11 | C10 | C9 | H9 | 118.6° | 120.1° |
| C11 | C10 | C9 | O9 | 179.9° | 179.9° |
| C11 | C10 | C9 | C8 | 57.7° | 60.1° |
| C11 | C10 | C9 | H8 | 60.4° | 60.0° |
| C10 | C11 | C12 | H10 | 66.6° | 59.9° |
| C11 | C10 | O10 | H20 | 180.0° | 180.0° |
| C10 | C11 | O11 | H21 | 58.2° | 60.0° |
| O10 | C10 | C9 | H9 | 120.0° | 120.0° |
| O10 | C10 | C9 | O9 | 58.7° | 60.0° |
| O10 | C10 | C9 | C8 | 179.1° | 180.0° |
| O10 | C10 | C11 | H5 | 55.2° | 60.0° |
| O10 | C10 | C9 | H8 | 60.9° | 60.0° |
| O1 | C1 | C2 | H12 | 119.5° | 120.1° |
| C1 | O1 | C7 | C12 | 148.4° | 150.0° |
| C1 | O1 | C7 | C8 | 88.8° | 90.0° |
| O1 | C1 | C2 | C3 | 69.1° | 62.4° |
| O1 | C1 | C2 | O2 | 56.5° | 57.5° |
| C1 | O1 | C7 | H6 | 30.4° | 30.0° |
| O1 | C1 | C2 | H13 | 174.5° | 177.8° |
| C2 | C1 | O1 | C7 | 167.3° | 170.0° |
| C1 | C2 | C3 | O2 | 124.7° | 119.9° |
| C1 | C2 | C3 | H13 | 116.5° | 119.9° |
| C1 | C2 | O2 | H13 | 116.9° | 120.2° |
| C1 | C2 | C3 | O3 | 172.6° | 176.9° |
| C1 | C2 | C3 | H11 | 65.4° | 63.0° |
| C1 | C2 | O2 | H14 | 180.0° | 60.0° |
| C12 | C7 | O1 | C8 | 122.8° | 120.0° |
| C12 | C7 | O1 | H6 | 118.0° | 120.0° |
| C12 | C7 | C8 | H6 | 118.8° | 120.1° |
| C12 | C7 | C8 | C9 | 55.6° | 60.1° |
| C12 | C7 | C8 | O8 | 67.8° | 60.0° |
| C7 | C12 | C11 | H5 | 66.7° | 60.0° |
| C12 | C7 | C8 | H7 | 173.2° | 180.0° |
| C7 | C12 | O12 | H22 | 56.3° | 180.0° |
| O1 | C7 | C8 | H6 | 120.0° | 120.0° |
| O1 | C7 | C8 | C9 | 176.8° | 180.0° |
| O1 | C7 | C8 | O8 | 53.4° | 60.0° |
| O1 | C7 | C8 | H7 | 65.6° | 60.0° |
| O1 | C7 | C12 | H10 | 56.9° | 60.1° |
| C7 | O1 | C1 | H12 | 48.5° | 49.9° |
| C7 | C8 | C9 | C10 | 58.3° | 60.0° |
| C7 | C8 | C9 | O9 | 178.5° | 180.0° |
| C7 | C8 | C9 | O8 | 122.5° | 120.0° |
| C7 | C8 | C9 | H7 | 117.5° | 120.0° |
| C7 | C8 | O8 | H7 | 118.4° | 120.0° |
| C7 | C8 | C9 | H8 | 59.7° | 59.9° |
| C8 | C7 | C12 | H10 | 65.2° | 59.9° |
| C7 | C8 | O8 | H18 | 180.0° | 180.0° |
| C10 | C9 | O9 | C8 | 124.1° | 120.0° |
| C10 | C9 | O9 | H8 | 118.3° | 119.9° |
| C10 | C9 | C8 | H8 | 118.0° | 120.0° |
| C10 | C9 | C8 | O8 | 64.1° | 60.0° |
| C9 | C10 | C11 | H5 | 65.7° | 60.0° |
| C10 | C9 | C8 | H7 | 175.8° | 180.0° |
| C10 | C9 | O9 | H19 | 180.0° | 60.0° |
| C9 | C10 | O10 | H20 | 58.4° | 60.0° |
| O9 | C9 | C8 | H8 | 118.8° | 120.1° |
| O9 | C9 | C8 | O8 | 59.1° | 60.0° |
| O9 | C9 | C8 | H7 | 61.0° | 60.0° |
| O9 | C9 | C10 | H9 | 61.3° | 60.0° |
| C9 | C8 | O8 | H7 | 119.6° | 120.0° |
| C9 | C8 | C7 | H6 | 63.1° | 60.0° |
| C8 | C9 | C10 | H9 | 60.9° | 60.0° |
| C9 | C8 | O8 | H18 | 58.0° | 60.0° |
| C8 | C9 | O9 | H19 | 55.9° | 180.0° |
| O8 | C8 | C7 | H6 | 173.4° | 179.9° |
| O8 | C8 | C9 | H8 | 177.9° | 180.0° |
| C3 | C2 | O2 | H13 | 117.7° | 120.1° |
| C2 | C3 | O3 | H11 | 121.0° | 120.2° |
| C2 | C3 | C4 | H1 | 175.2° | 176.9° |
| C3 | C2 | C1 | H12 | 171.4° | 177.6° |
| C3 | C2 | O2 | H14 | 54.5° | 179.7° |
| C2 | C3 | O3 | H15 | 59.8° | 60.4° |
| O2 | C2 | C3 | O3 | 62.7° | 63.2° |
| O2 | C2 | C3 | H11 | 59.3° | 56.9° |
| O2 | C2 | C1 | H12 | 63.0° | 62.5° |
| O3 | C3 | C4 | H1 | 64.2° | 63.3° |
| O3 | C3 | C2 | H13 | 56.2° | 57.0° |
| H1 | C4 | C5 | H2 | 59.6° | 57.5° |
| H1 | C4 | C3 | H11 | 55.6° | 56.9° |
| H1 | C4 | O4 | H16 | 59.5° | 60.1° |
| H2 | C5 | C6 | H3 | 178.9° | 65.0° |
| H2 | C5 | C6 | H4 | 58.4° | 175.0° |
| H3 | C6 | O6 | H17 | 60.2° | 60.0° |
| H4 | C6 | O6 | H17 | 60.2° | 60.0° |
| H5 | C11 | C10 | H9 | 175.7° | 180.0° |
| H5 | C11 | C12 | H10 | 174.3° | 180.0° |
| H5 | C11 | O11 | H21 | 61.7° | 60.0° |
| H6 | C7 | C8 | H7 | 54.4° | 60.0° |
| H6 | C7 | C12 | H10 | 176.0° | 180.0° |
| H7 | C8 | C9 | H8 | 57.8° | 60.0° |
| H7 | C8 | O8 | H18 | 61.6° | 60.0° |
| H8 | C9 | C10 | H9 | 179.0° | 180.0° |
| H8 | C9 | O9 | H19 | 61.7° | 60.0° |
| H9 | C10 | O10 | H20 | 60.6° | 60.0° |
| H10 | C12 | O12 | H22 | 62.4° | 60.0° |
| H11 | C3 | C2 | H13 | 178.2° | 177.2° |
| H11 | C3 | O3 | H15 | 61.3° | 59.9° |
| H12 | C1 | C2 | H13 | 55.0° | 57.7° |
| H13 | C2 | O2 | H14 | 63.2° | 60.2° |
