3SY
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O6 | C2 | sing | 1.43Å | 1.43Å | |
| C5 | O9 | sing | 1.43Å | 1.43Å | |
| C5 | C1 | sing | 1.53Å | 1.52Å | |
| C2 | C1 | sing | 1.53Å | 1.52Å | |
| C1 | C3 | sing | 1.53Å | 1.53Å | |
| C1 | C4 | sing | 1.53Å | 1.53Å | |
| C3 | O7 | sing | 1.43Å | 1.44Å | |
| C4 | O8 | sing | 1.43Å | 1.44Å | |
| O7 | H1 | sing | 0.97Å | 0.95Å | |
| C3 | H2 | sing | 1.09Å | 1.10Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C2 | H4 | sing | 1.09Å | 1.10Å | |
| C2 | H5 | sing | 1.09Å | 1.10Å | |
| O6 | H6 | sing | 0.97Å | 0.95Å | |
| C4 | H7 | sing | 1.09Å | 1.10Å | |
| C4 | H8 | sing | 1.09Å | 1.10Å | |
| O8 | H9 | sing | 0.97Å | 0.95Å | |
| C5 | H10 | sing | 1.09Å | 1.10Å | |
| C5 | H11 | sing | 1.09Å | 1.10Å | |
| O9 | H12 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O6 | C2 | C1 | 107.2° | 109.5° |
| O6 | C2 | H4 | 110.0° | 109.5° |
| O6 | C2 | H5 | 110.0° | 109.5° |
| C2 | O6 | H6 | 109.5° | 114.0° |
| O9 | C5 | C1 | 111.7° | 109.5° |
| O9 | C5 | H10 | 108.9° | 109.5° |
| O9 | C5 | H11 | 108.9° | 109.5° |
| C5 | O9 | H12 | 109.5° | 114.0° |
| C5 | C1 | C2 | 107.4° | 109.5° |
| C5 | C1 | C3 | 108.1° | 109.5° |
| C5 | C1 | C4 | 110.4° | 109.5° |
| C1 | C5 | H10 | 108.9° | 109.5° |
| C1 | C5 | H11 | 108.9° | 109.5° |
| C2 | C1 | C3 | 108.8° | 109.5° |
| C2 | C1 | C4 | 109.8° | 109.5° |
| C1 | C2 | H4 | 110.0° | 109.5° |
| C1 | C2 | H5 | 110.0° | 109.5° |
| C3 | C1 | C4 | 112.3° | 109.5° |
| C1 | C3 | O7 | 110.7° | 109.5° |
| C1 | C3 | H2 | 109.2° | 109.5° |
| C1 | C3 | H3 | 109.2° | 109.5° |
| C1 | C4 | O8 | 113.8° | 109.5° |
| C1 | C4 | H7 | 108.3° | 109.5° |
| C1 | C4 | H8 | 108.4° | 109.5° |
| C3 | O7 | H1 | 109.5° | 114.0° |
| O7 | C3 | H2 | 109.2° | 109.5° |
| O7 | C3 | H3 | 109.2° | 109.5° |
| O8 | C4 | H7 | 108.4° | 109.5° |
| O8 | C4 | H8 | 108.3° | 109.5° |
| C4 | O8 | H9 | 109.5° | 114.0° |
| H2 | C3 | H3 | 109.5° | 109.4° |
| H4 | C2 | H5 | 109.5° | 109.4° |
| H7 | C4 | H8 | 109.5° | 109.4° |
| H10 | C5 | H11 | 109.4° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O6 | C2 | C1 | C5 | 68.5° | 60.0° |
| O6 | C2 | C1 | H4 | 119.7° | 120.0° |
| O6 | C2 | C1 | H5 | 119.6° | 120.0° |
| O6 | C2 | C1 | C3 | 174.8° | 180.0° |
| O6 | C2 | C1 | C4 | 51.5° | 60.0° |
| O6 | C2 | H4 | H5 | 121.0° | 120.0° |
| O9 | C5 | C1 | H10 | 120.3° | 120.0° |
| O9 | C5 | C1 | H11 | 120.4° | 120.0° |
| O9 | C5 | C1 | C2 | 148.2° | 60.0° |
| O9 | C5 | C1 | C3 | 94.5° | 60.0° |
| O9 | C5 | C1 | C4 | 28.7° | 180.0° |
| O9 | C5 | H10 | H11 | 119.0° | 120.0° |
| C5 | C1 | C2 | C3 | 116.7° | 120.0° |
| C5 | C1 | C2 | C4 | 120.0° | 120.0° |
| C5 | C1 | C3 | C4 | 122.0° | 120.0° |
| C5 | C1 | C3 | O7 | 180.0° | 60.0° |
| C5 | C1 | C4 | O8 | 178.5° | 180.0° |
| C5 | C1 | C3 | H2 | 59.8° | 60.0° |
| C5 | C1 | C3 | H3 | 59.8° | 180.0° |
| C5 | C1 | C2 | H4 | 171.9° | 60.0° |
| C5 | C1 | C2 | H5 | 51.1° | 180.0° |
| C5 | C1 | C4 | H7 | 57.8° | 60.0° |
| C5 | C1 | C4 | H8 | 60.9° | 60.0° |
| C1 | C5 | H10 | H11 | 119.0° | 120.0° |
| C1 | C5 | O9 | H12 | 180.0° | 180.0° |
| C2 | C1 | C3 | C4 | 121.7° | 120.0° |
| C2 | C1 | C3 | O7 | 63.7° | 180.0° |
| C2 | C1 | C4 | O8 | 63.4° | 60.0° |
| C2 | C1 | C3 | H2 | 56.4° | 60.0° |
| C2 | C1 | C3 | H3 | 176.1° | 60.0° |
| C1 | C2 | H4 | H5 | 121.1° | 120.0° |
| C1 | C2 | O6 | H6 | 180.0° | 180.0° |
| C2 | C1 | C4 | H7 | 176.0° | 180.0° |
| C2 | C1 | C4 | H8 | 57.2° | 60.0° |
| C2 | C1 | C5 | H10 | 27.9° | 60.0° |
| C2 | C1 | C5 | H11 | 91.4° | 180.0° |
| C1 | C3 | O7 | H2 | 120.2° | 120.0° |
| C1 | C3 | O7 | H3 | 120.2° | 120.0° |
| C3 | C1 | C4 | O8 | 57.8° | 60.0° |
| C1 | C3 | O7 | H1 | 180.0° | 180.0° |
| C1 | C3 | H2 | H3 | 119.4° | 120.0° |
| C3 | C1 | C2 | H4 | 55.1° | 60.0° |
| C3 | C1 | C2 | H5 | 65.6° | 60.0° |
| C3 | C1 | C4 | H7 | 62.9° | 60.0° |
| C3 | C1 | C4 | H8 | 178.4° | 180.0° |
| C3 | C1 | C5 | H10 | 145.1° | 180.0° |
| C3 | C1 | C5 | H11 | 25.8° | 60.0° |
| C4 | C1 | C3 | O7 | 58.0° | 60.0° |
| C1 | C4 | O8 | H7 | 120.6° | 120.0° |
| C1 | C4 | O8 | H8 | 120.6° | 120.0° |
| C4 | C1 | C3 | H2 | 178.2° | 180.0° |
| C4 | C1 | C3 | H3 | 62.2° | 60.0° |
| C4 | C1 | C2 | H4 | 68.2° | 180.0° |
| C4 | C1 | C2 | H5 | 171.1° | 60.0° |
| C1 | C4 | H7 | H8 | 118.0° | 120.0° |
| C1 | C4 | O8 | H9 | 180.0° | 180.0° |
| C4 | C1 | C5 | H10 | 91.7° | 60.0° |
| C4 | C1 | C5 | H11 | 149.0° | 60.0° |
| O7 | C3 | H2 | H3 | 119.5° | 120.0° |
| O8 | C4 | H7 | H8 | 118.0° | 120.0° |
| H1 | O7 | C3 | H2 | 59.8° | 60.0° |
| H1 | O7 | C3 | H3 | 59.8° | 60.0° |
| H4 | C2 | O6 | H6 | 60.3° | 60.0° |
| H5 | C2 | O6 | H6 | 60.4° | 60.0° |
| H7 | C4 | O8 | H9 | 59.4° | 60.0° |
| H8 | C4 | O8 | H9 | 59.3° | 60.0° |
| H10 | C5 | O9 | H12 | 59.7° | 60.0° |
| H11 | C5 | O9 | H12 | 59.6° | 60.0° |
