3VB
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OAA | C15 | sing | 1.43Å | 1.43Å | |
| C15 | C14 | sing | 1.53Å | 1.52Å | |
| O8 | C14 | sing | 1.43Å | 1.45Å | |
| C14 | C13 | sing | 1.53Å | 1.52Å | |
| C13 | C11 | sing | 1.53Å | 1.54Å | |
| C13 | O7 | sing | 1.43Å | 1.45Å | |
| O6 | C11 | sing | 1.43Å | 1.40Å | |
| O6 | H1 | sing | 0.97Å | 0.95Å | |
| C11 | H2 | sing | 1.09Å | 1.10Å | |
| C11 | H3 | sing | 1.09Å | 1.10Å | |
| C13 | H4 | sing | 1.09Å | 1.10Å | |
| O7 | H5 | sing | 0.97Å | 0.95Å | |
| C14 | H6 | sing | 1.09Å | 1.10Å | |
| O8 | H7 | sing | 0.97Å | 0.95Å | |
| C15 | H8 | sing | 1.09Å | 1.10Å | |
| C15 | H9 | sing | 1.09Å | 1.10Å | |
| OAA | H10 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OAA | C15 | C14 | 113.2° | 109.5° |
| OAA | C15 | H8 | 108.5° | 109.5° |
| OAA | C15 | H9 | 108.5° | 109.5° |
| C15 | OAA | H10 | 109.5° | 114.1° |
| C15 | C14 | O8 | 110.9° | 109.5° |
| C15 | C14 | C13 | 113.2° | 109.5° |
| C15 | C14 | H6 | 109.2° | 109.5° |
| C14 | C15 | H8 | 108.5° | 109.5° |
| C14 | C15 | H9 | 108.5° | 109.4° |
| O8 | C14 | C13 | 104.2° | 109.5° |
| O8 | C14 | H6 | 110.2° | 109.5° |
| C14 | O8 | H7 | 109.5° | 114.0° |
| C14 | C13 | C11 | 111.8° | 109.5° |
| C14 | C13 | O7 | 107.5° | 109.5° |
| C14 | C13 | H4 | 109.1° | 109.4° |
| C13 | C14 | H6 | 109.2° | 109.4° |
| C11 | C13 | O7 | 109.4° | 109.5° |
| C13 | C11 | O6 | 110.2° | 109.5° |
| C13 | C11 | H2 | 109.3° | 109.4° |
| C13 | C11 | H3 | 109.3° | 109.5° |
| C11 | C13 | H4 | 109.0° | 109.5° |
| O7 | C13 | H4 | 110.1° | 109.5° |
| C13 | O7 | H5 | 109.5° | 114.0° |
| C11 | O6 | H1 | 109.5° | 114.1° |
| O6 | C11 | H2 | 109.3° | 109.5° |
| O6 | C11 | H3 | 109.3° | 109.5° |
| H2 | C11 | H3 | 109.5° | 109.4° |
| H8 | C15 | H9 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OAA | C15 | C14 | H8 | 120.6° | 120.1° |
| OAA | C15 | C14 | H9 | 120.5° | 120.0° |
| OAA | C15 | C14 | O8 | 61.9° | 65.0° |
| OAA | C15 | C14 | C13 | 178.6° | 175.0° |
| OAA | C15 | C14 | H6 | 59.6° | 55.1° |
| OAA | C15 | H8 | H9 | 118.3° | 120.0° |
| C15 | C14 | O8 | C13 | 122.1° | 120.0° |
| C15 | C14 | O8 | H6 | 121.0° | 120.0° |
| C15 | C14 | C13 | H6 | 121.8° | 120.0° |
| C15 | C14 | C13 | C11 | 52.2° | 175.1° |
| C15 | C14 | C13 | O7 | 172.2° | 55.0° |
| C15 | C14 | C13 | H4 | 68.4° | 65.0° |
| C15 | C14 | O8 | H7 | 180.0° | 60.1° |
| C14 | C15 | H8 | H9 | 118.3° | 119.9° |
| C14 | C15 | OAA | H10 | 180.0° | 180.0° |
| O8 | C14 | C13 | H6 | 117.7° | 120.0° |
| O8 | C14 | C13 | C11 | 172.7° | 55.0° |
| O8 | C14 | C13 | O7 | 67.3° | 65.0° |
| O8 | C14 | C13 | H4 | 52.2° | 175.0° |
| O8 | C14 | C15 | H8 | 58.7° | 175.0° |
| O8 | C14 | C15 | H9 | 177.5° | 55.0° |
| C14 | C13 | C11 | O7 | 118.9° | 120.0° |
| C14 | C13 | C11 | H4 | 120.7° | 119.9° |
| C14 | C13 | O7 | H4 | 118.8° | 120.0° |
| C14 | C13 | C11 | O6 | 55.3° | 175.0° |
| C14 | C13 | C11 | H2 | 175.4° | 65.0° |
| C14 | C13 | C11 | H3 | 64.9° | 54.9° |
| C14 | C13 | O7 | H5 | 180.0° | 60.0° |
| C13 | C14 | O8 | H7 | 58.0° | 60.0° |
| C13 | C14 | C15 | H8 | 58.0° | 54.9° |
| C13 | C14 | C15 | H9 | 60.9° | 65.0° |
| C11 | C13 | O7 | H4 | 119.7° | 120.0° |
| C13 | C11 | O6 | H2 | 120.1° | 120.0° |
| C13 | C11 | O6 | H3 | 120.1° | 120.1° |
| C13 | C11 | O6 | H1 | 180.0° | 180.0° |
| C13 | C11 | H2 | H3 | 119.6° | 120.0° |
| C11 | C13 | O7 | H5 | 58.5° | 60.1° |
| C11 | C13 | C14 | H6 | 69.6° | 65.0° |
| O7 | C13 | C11 | O6 | 63.7° | 65.0° |
| O7 | C13 | C11 | H2 | 56.5° | 55.0° |
| O7 | C13 | C11 | H3 | 176.2° | 175.0° |
| O7 | C13 | C14 | H6 | 50.4° | 175.0° |
| O6 | C11 | H2 | H3 | 119.7° | 120.0° |
| O6 | C11 | C13 | H4 | 176.0° | 55.1° |
| H1 | O6 | C11 | H2 | 59.9° | 60.0° |
| H1 | O6 | C11 | H3 | 59.9° | 60.0° |
| H2 | C11 | C13 | H4 | 63.9° | 175.0° |
| H3 | C11 | C13 | H4 | 55.8° | 65.0° |
| H4 | C13 | O7 | H5 | 61.2° | 179.9° |
| H4 | C13 | C14 | H6 | 169.8° | 55.0° |
| H6 | C14 | O8 | H7 | 59.0° | 179.9° |
| H6 | C14 | C15 | H8 | 179.8° | 65.0° |
| H6 | C14 | C15 | H9 | 60.9° | 175.0° |
| H8 | C15 | OAA | H10 | 59.4° | 60.0° |
| H9 | C15 | OAA | H10 | 59.5° | 60.0° |
