7CV
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O4 | C4 | sing | 1.43Å | 1.40Å | |
| C27 | O3 | sing | 1.43Å | 1.42Å | |
| O3 | C3 | sing | 1.43Å | 1.40Å | |
| C4 | C3 | sing | 1.53Å | 1.52Å | |
| C4 | C5 | sing | 1.53Å | 1.52Å | |
| C3 | C2 | sing | 1.53Å | 1.53Å | |
| C6 | C5 | sing | 1.53Å | 1.51Å | |
| C5 | O5 | sing | 1.43Å | 1.42Å | |
| C2 | O2 | sing | 1.43Å | 1.42Å | |
| C2 | C1 | sing | 1.53Å | 1.50Å | |
| O2 | C24 | sing | 1.43Å | 1.43Å | |
| O5 | C1 | sing | 1.43Å | 1.38Å | |
| C1 | O1 | sing | 1.43Å | 1.34Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C6 | H61 | sing | 1.09Å | 1.10Å | |
| C6 | H62 | sing | 1.09Å | 1.10Å | |
| C6 | H63 | sing | 1.09Å | 1.10Å | |
| O4 | HO4 | sing | 0.97Å | 0.95Å | |
| C24 | H10 | sing | 1.09Å | 1.10Å | |
| C24 | H11 | sing | 1.09Å | 1.10Å | |
| C24 | H12 | sing | 1.09Å | 1.10Å | |
| C27 | H13 | sing | 1.09Å | 1.10Å | |
| C27 | H14 | sing | 1.09Å | 1.10Å | |
| C27 | H15 | sing | 1.09Å | 1.10Å | |
| O1 | HO1 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O4 | C4 | C3 | 107.4° | 109.5° |
| O4 | C4 | C5 | 112.4° | 109.5° |
| O4 | C4 | H4 | 111.1° | 109.5° |
| C4 | O4 | HO4 | 109.5° | 114.0° |
| C27 | O3 | C3 | 116.7° | 114.0° |
| O3 | C27 | H13 | 109.5° | 109.5° |
| O3 | C27 | H14 | 109.5° | 109.5° |
| O3 | C27 | H15 | 109.5° | 109.5° |
| O3 | C3 | C4 | 108.8° | 109.6° |
| O3 | C3 | C2 | 110.3° | 109.5° |
| O3 | C3 | H3 | 110.2° | 109.6° |
| C3 | C4 | C5 | 107.2° | 109.2° |
| C4 | C3 | C2 | 110.4° | 109.0° |
| C4 | C3 | H3 | 108.5° | 109.5° |
| C3 | C4 | H4 | 109.3° | 109.6° |
| C4 | C5 | C6 | 111.9° | 109.5° |
| C4 | C5 | O5 | 109.4° | 109.4° |
| C5 | C4 | H4 | 109.4° | 109.5° |
| C4 | C5 | H5 | 108.3° | 109.5° |
| C3 | C2 | O2 | 113.2° | 109.5° |
| C3 | C2 | C1 | 108.9° | 109.2° |
| C3 | C2 | H2 | 108.2° | 109.6° |
| C2 | C3 | H3 | 108.4° | 109.5° |
| C6 | C5 | O5 | 109.2° | 109.5° |
| C6 | C5 | H5 | 108.4° | 109.5° |
| C5 | C6 | H61 | 109.5° | 109.5° |
| C5 | C6 | H62 | 109.4° | 109.5° |
| C5 | C6 | H63 | 109.5° | 109.5° |
| C5 | O5 | C1 | 115.5° | 114.1° |
| O5 | C5 | H5 | 109.6° | 109.5° |
| O2 | C2 | C1 | 108.2° | 109.5° |
| C2 | O2 | C24 | 116.4° | 114.0° |
| O2 | C2 | H2 | 109.6° | 109.5° |
| C2 | C1 | O5 | 109.5° | 109.5° |
| C2 | C1 | O1 | 104.4° | 109.5° |
| C2 | C1 | H1 | 104.4° | 109.5° |
| C1 | C2 | H2 | 108.6° | 109.6° |
| O2 | C24 | H10 | 109.5° | 109.5° |
| O2 | C24 | H11 | 109.5° | 109.4° |
| O2 | C24 | H12 | 109.5° | 109.5° |
| O5 | C1 | O1 | 125.0° | 109.5° |
| O5 | C1 | H1 | 105.6° | 109.5° |
| O1 | C1 | H1 | 106.2° | 109.4° |
| C1 | O1 | HO1 | 109.5° | 114.0° |
| H61 | C6 | H62 | 109.5° | 109.5° |
| H61 | C6 | H63 | 109.5° | 109.4° |
| H62 | C6 | H63 | 109.5° | 109.5° |
| H10 | C24 | H11 | 109.5° | 109.5° |
| H10 | C24 | H12 | 109.4° | 109.5° |
| H11 | C24 | H12 | 109.5° | 109.5° |
| H13 | C27 | H14 | 109.4° | 109.5° |
| H13 | C27 | H15 | 109.5° | 109.4° |
| H14 | C27 | H15 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O4 | C4 | C3 | O3 | 61.1° | 63.2° |
| O4 | C4 | C3 | C5 | 120.9° | 119.9° |
| O4 | C4 | C3 | H4 | 120.6° | 120.1° |
| O4 | C4 | C5 | H4 | 123.8° | 120.2° |
| O4 | C4 | C3 | C2 | 177.7° | 176.9° |
| O4 | C4 | C5 | C6 | 64.0° | 62.5° |
| O4 | C4 | C5 | O5 | 174.9° | 177.5° |
| O4 | C4 | C3 | H3 | 58.9° | 57.1° |
| O4 | C4 | C5 | H5 | 55.5° | 57.5° |
| C27 | O3 | C3 | C4 | 150.1° | 90.4° |
| C27 | O3 | C3 | C2 | 88.6° | 150.0° |
| C27 | O3 | C3 | H3 | 31.2° | 29.9° |
| O3 | C27 | H13 | H14 | 120.0° | 120.0° |
| O3 | C27 | H13 | H15 | 120.0° | 119.9° |
| O3 | C27 | H14 | H15 | 120.0° | 120.0° |
| O3 | C3 | C4 | C2 | 121.3° | 119.9° |
| O3 | C3 | C4 | H3 | 120.0° | 120.3° |
| O3 | C3 | C4 | C5 | 178.0° | 176.9° |
| O3 | C3 | C2 | H3 | 120.8° | 120.2° |
| O3 | C3 | C2 | O2 | 56.4° | 57.0° |
| O3 | C3 | C2 | C1 | 176.8° | 176.9° |
| O3 | C3 | C2 | H2 | 65.4° | 63.1° |
| O3 | C3 | C4 | H4 | 59.5° | 56.9° |
| C3 | O3 | C27 | H13 | 180.0° | 60.1° |
| C3 | O3 | C27 | H14 | 60.0° | 59.9° |
| C3 | O3 | C27 | H15 | 60.0° | 180.0° |
| C3 | C4 | C5 | H4 | 118.4° | 120.0° |
| C4 | C3 | C2 | H3 | 118.8° | 119.8° |
| C3 | C4 | C5 | C6 | 178.3° | 177.6° |
| C3 | C4 | C5 | O5 | 57.2° | 57.6° |
| C4 | C3 | C2 | O2 | 64.0° | 62.9° |
| C4 | C3 | C2 | C1 | 56.4° | 56.9° |
| C4 | C3 | C2 | H2 | 174.3° | 176.9° |
| C3 | C4 | C5 | H5 | 62.3° | 62.3° |
| C3 | C4 | O4 | HO4 | 180.0° | 180.0° |
| C5 | C4 | C3 | C2 | 56.7° | 57.0° |
| C4 | C5 | C6 | O5 | 121.2° | 119.9° |
| C4 | C5 | C6 | H5 | 119.4° | 120.0° |
| C4 | C5 | O5 | H5 | 118.6° | 120.0° |
| C4 | C5 | O5 | C1 | 62.5° | 61.1° |
| C5 | C4 | C3 | H3 | 62.0° | 62.8° |
| C4 | C5 | C6 | H61 | 180.0° | 60.0° |
| C4 | C5 | C6 | H62 | 60.0° | 180.0° |
| C4 | C5 | C6 | H63 | 60.0° | 60.0° |
| C5 | C4 | O4 | HO4 | 62.4° | 60.3° |
| C3 | C2 | O2 | C1 | 120.8° | 119.6° |
| C3 | C2 | O2 | H2 | 121.0° | 120.2° |
| C3 | C2 | C1 | H2 | 117.7° | 120.0° |
| C3 | C2 | O2 | C24 | 164.6° | 150.3° |
| C3 | C2 | C1 | O5 | 55.9° | 57.6° |
| C3 | C2 | C1 | O1 | 80.2° | 62.5° |
| C3 | C2 | C1 | H1 | 168.6° | 177.6° |
| C2 | C3 | C4 | H4 | 61.8° | 63.0° |
| C6 | C5 | O5 | H5 | 118.6° | 120.0° |
| C6 | C5 | O5 | C1 | 174.8° | 178.9° |
| C6 | C5 | C4 | H4 | 59.8° | 57.7° |
| C5 | C6 | H61 | H62 | 120.0° | 120.1° |
| C5 | C6 | H61 | H63 | 120.0° | 120.0° |
| C5 | C6 | H62 | H63 | 120.0° | 120.0° |
| C5 | O5 | C1 | C2 | 61.2° | 61.2° |
| C5 | O5 | C1 | O1 | 63.6° | 58.9° |
| C5 | O5 | C1 | H1 | 173.1° | 178.9° |
| O5 | C5 | C4 | H4 | 61.2° | 62.3° |
| O5 | C5 | C6 | H61 | 58.8° | 179.9° |
| O5 | C5 | C6 | H62 | 61.2° | 60.0° |
| O5 | C5 | C6 | H63 | 178.8° | 60.0° |
| O2 | C2 | C1 | H2 | 118.9° | 120.1° |
| O2 | C2 | C1 | O5 | 67.6° | 62.3° |
| O2 | C2 | C1 | O1 | 156.4° | 177.7° |
| O2 | C2 | C1 | H1 | 45.1° | 57.8° |
| O2 | C2 | C3 | H3 | 177.2° | 177.3° |
| C2 | O2 | C24 | H10 | 180.0° | 60.0° |
| C2 | O2 | C24 | H11 | 60.0° | 60.0° |
| C2 | O2 | C24 | H12 | 60.0° | 180.0° |
| C1 | C2 | O2 | C24 | 74.6° | 90.0° |
| C2 | C1 | O5 | O1 | 124.8° | 120.0° |
| C2 | C1 | O5 | H1 | 111.9° | 120.0° |
| C2 | C1 | O1 | H1 | 109.9° | 120.0° |
| C1 | C2 | C3 | H3 | 62.4° | 62.9° |
| C2 | C1 | O1 | HO1 | 180.0° | 180.0° |
| C24 | O2 | C2 | H2 | 43.6° | 30.1° |
| O2 | C24 | H10 | H11 | 120.0° | 120.0° |
| O2 | C24 | H10 | H12 | 120.0° | 120.0° |
| O2 | C24 | H11 | H12 | 120.0° | 120.0° |
| O5 | C1 | O1 | H1 | 123.1° | 120.0° |
| O5 | C1 | C2 | H2 | 173.5° | 177.6° |
| C1 | O5 | C5 | H5 | 56.2° | 58.9° |
| O5 | C1 | O1 | HO1 | 53.0° | 60.0° |
| O1 | C1 | C2 | H2 | 37.5° | 57.6° |
| H1 | C1 | C2 | H2 | 73.8° | 62.4° |
| H1 | C1 | O1 | HO1 | 70.1° | 60.0° |
| H2 | C2 | C3 | H3 | 55.5° | 57.1° |
| H3 | C3 | C4 | H4 | 179.5° | 177.2° |
| H4 | C4 | C5 | H5 | 179.3° | 177.7° |
| H4 | C4 | O4 | HO4 | 60.5° | 59.9° |
| H5 | C5 | C6 | H61 | 60.6° | 60.1° |
| H5 | C5 | C6 | H62 | 179.4° | 60.0° |
| H5 | C5 | C6 | H63 | 59.4° | NaN° |
| H61 | C6 | H62 | H63 | 120.0° | 119.9° |
| H10 | C24 | H11 | H12 | 119.9° | 120.0° |
| H13 | C27 | H14 | H15 | 120.0° | 120.0° |
