62W
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OAB | CAH | sing | 1.43Å | 1.45Å | |
| OAD | CAJ | sing | 1.43Å | 1.43Å | |
| CAJ | CAH | sing | 1.53Å | 1.52Å | |
| CAJ | CAL | sing | 1.53Å | 1.51Å | |
| OAF | CAL | sing | 1.43Å | 1.46Å | |
| OAE | CAK | sing | 1.43Å | 1.45Å | |
| CAL | CAK | sing | 1.53Å | 1.52Å | |
| CAK | CAI | sing | 1.53Å | 1.57Å | |
| CAI | OAC | sing | 1.43Å | 1.44Å | |
| CAI | CAG | sing | 1.53Å | 1.51Å | |
| CAG | OAA | sing | 1.43Å | 1.42Å | |
| OAA | H1 | sing | 0.97Å | 0.95Å | |
| CAG | H2 | sing | 1.09Å | 1.10Å | |
| CAG | H3 | sing | 1.09Å | 1.10Å | |
| CAI | H4 | sing | 1.09Å | 1.10Å | |
| OAC | H5 | sing | 0.97Å | 0.95Å | |
| CAK | H6 | sing | 1.09Å | 1.10Å | |
| OAE | H7 | sing | 0.97Å | 0.95Å | |
| CAL | H8 | sing | 1.09Å | 1.10Å | |
| OAF | H9 | sing | 0.97Å | 0.95Å | |
| CAJ | H10 | sing | 1.09Å | 1.10Å | |
| OAD | H11 | sing | 0.97Å | 0.95Å | |
| CAH | H12 | sing | 1.09Å | 1.10Å | |
| CAH | H13 | sing | 1.09Å | 1.10Å | |
| OAB | H14 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OAB | CAH | CAJ | 113.2° | 109.5° |
| OAB | CAH | H12 | 108.5° | 109.5° |
| OAB | CAH | H13 | 108.5° | 109.5° |
| CAH | OAB | H14 | 109.5° | 114.0° |
| OAD | CAJ | CAH | 109.4° | 109.5° |
| OAD | CAJ | CAL | 106.7° | 109.5° |
| OAD | CAJ | H10 | 109.9° | 109.5° |
| CAJ | OAD | H11 | 109.5° | 114.0° |
| CAH | CAJ | CAL | 113.2° | 109.4° |
| CAH | CAJ | H10 | 108.8° | 109.5° |
| CAJ | CAH | H12 | 108.5° | 109.5° |
| CAJ | CAH | H13 | 108.5° | 109.5° |
| CAJ | CAL | OAF | 105.7° | 109.5° |
| CAJ | CAL | CAK | 114.0° | 109.4° |
| CAJ | CAL | H8 | 108.1° | 109.5° |
| CAL | CAJ | H10 | 108.8° | 109.5° |
| OAF | CAL | CAK | 111.8° | 109.5° |
| OAF | CAL | H8 | 108.9° | 109.5° |
| CAL | OAF | H9 | 109.5° | 114.0° |
| OAE | CAK | CAL | 110.7° | 109.5° |
| OAE | CAK | CAI | 109.0° | 109.4° |
| OAE | CAK | H6 | 108.4° | 109.5° |
| CAK | OAE | H7 | 109.5° | 114.0° |
| CAL | CAK | CAI | 114.2° | 109.5° |
| CAL | CAK | H6 | 107.5° | 109.5° |
| CAK | CAL | H8 | 108.1° | 109.5° |
| CAK | CAI | OAC | 108.2° | 109.5° |
| CAK | CAI | CAG | 113.6° | 109.5° |
| CAK | CAI | H4 | 107.7° | 109.5° |
| CAI | CAK | H6 | 106.9° | 109.5° |
| OAC | CAI | CAG | 109.6° | 109.4° |
| OAC | CAI | H4 | 109.3° | 109.5° |
| CAI | OAC | H5 | 109.5° | 114.0° |
| CAI | CAG | OAA | 109.8° | 109.5° |
| CAI | CAG | H2 | 109.4° | 109.5° |
| CAI | CAG | H3 | 109.4° | 109.5° |
| CAG | CAI | H4 | 108.3° | 109.5° |
| CAG | OAA | H1 | 109.5° | 114.1° |
| OAA | CAG | H2 | 109.4° | 109.4° |
| OAA | CAG | H3 | 109.4° | 109.4° |
| H2 | CAG | H3 | 109.4° | 109.4° |
| H12 | CAH | H13 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OAB | CAH | CAJ | OAD | 64.9° | 65.0° |
| OAB | CAH | CAJ | H12 | 120.6° | 120.0° |
| OAB | CAH | CAJ | H13 | 120.6° | 120.0° |
| OAB | CAH | CAJ | CAL | 176.2° | 175.0° |
| OAB | CAH | CAJ | H10 | 55.2° | 55.0° |
| OAB | CAH | H12 | H13 | 118.3° | 120.0° |
| OAD | CAJ | CAH | CAL | 118.9° | 120.0° |
| OAD | CAJ | CAH | H10 | 120.1° | 120.0° |
| OAD | CAJ | CAL | H10 | 118.5° | 120.0° |
| OAD | CAJ | CAL | OAF | 65.8° | 65.0° |
| OAD | CAJ | CAL | CAK | 171.0° | 55.0° |
| OAD | CAJ | CAL | H8 | 50.7° | 175.0° |
| OAD | CAJ | CAH | H12 | 55.7° | 175.0° |
| OAD | CAJ | CAH | H13 | 174.5° | 55.0° |
| CAH | CAJ | CAL | H10 | 121.0° | 120.0° |
| CAH | CAJ | CAL | OAF | 173.8° | 55.0° |
| CAH | CAJ | CAL | CAK | 50.5° | 175.0° |
| CAH | CAJ | CAL | H8 | 69.7° | 65.0° |
| CAH | CAJ | OAD | H11 | 180.0° | 60.0° |
| CAJ | CAH | H12 | H13 | 118.3° | 120.0° |
| CAJ | CAH | OAB | H14 | 180.0° | 180.0° |
| CAJ | CAL | OAF | CAK | 124.6° | 120.0° |
| CAJ | CAL | OAF | H8 | 116.0° | 120.0° |
| CAJ | CAL | CAK | OAE | 53.6° | 55.0° |
| CAJ | CAL | CAK | H8 | 120.3° | 120.0° |
| CAJ | CAL | CAK | CAI | 177.1° | 175.0° |
| CAJ | CAL | CAK | H6 | 64.5° | 65.0° |
| CAJ | CAL | OAF | H9 | 180.0° | 59.9° |
| CAL | CAJ | OAD | H11 | 57.1° | 60.0° |
| CAL | CAJ | CAH | H12 | 63.2° | 55.0° |
| CAL | CAJ | CAH | H13 | 55.6° | 65.0° |
| OAF | CAL | CAK | OAE | 66.3° | 65.0° |
| OAF | CAL | CAK | H8 | 119.9° | 120.0° |
| OAF | CAL | CAK | CAI | 57.2° | 55.0° |
| OAF | CAL | CAK | H6 | 175.6° | 175.0° |
| OAF | CAL | CAJ | H10 | 52.7° | 175.0° |
| OAE | CAK | CAL | CAI | 123.5° | 120.0° |
| OAE | CAK | CAL | H6 | 118.1° | 120.0° |
| OAE | CAK | CAI | H6 | 116.9° | 120.0° |
| OAE | CAK | CAI | OAC | 173.7° | 180.0° |
| OAE | CAK | CAI | CAG | 64.3° | 60.0° |
| OAE | CAK | CAI | H4 | 55.6° | 60.0° |
| OAE | CAK | CAL | H8 | 173.9° | 175.0° |
| CAL | CAK | CAI | H6 | 118.7° | 120.0° |
| CAL | CAK | CAI | OAC | 49.4° | 60.0° |
| CAL | CAK | CAI | CAG | 171.3° | 180.0° |
| CAL | CAK | CAI | H4 | 68.7° | 60.0° |
| CAL | CAK | OAE | H7 | 180.0° | 59.9° |
| CAK | CAL | OAF | H9 | 55.4° | 60.0° |
| CAK | CAL | CAJ | H10 | 70.5° | 65.0° |
| CAK | CAI | OAC | CAG | 124.4° | 120.0° |
| CAK | CAI | OAC | H4 | 117.0° | 120.1° |
| CAK | CAI | CAG | H4 | 119.6° | 120.0° |
| CAK | CAI | CAG | OAA | 59.2° | 175.0° |
| CAK | CAI | CAG | H2 | 60.9° | 55.0° |
| CAK | CAI | CAG | H3 | 179.3° | 65.0° |
| CAK | CAI | OAC | H5 | 180.0° | 59.9° |
| CAI | CAK | OAE | H7 | 53.6° | 60.0° |
| CAI | CAK | CAL | H8 | 62.6° | 65.0° |
| OAC | CAI | CAG | H4 | 119.2° | 120.0° |
| OAC | CAI | CAG | OAA | 62.0° | 65.0° |
| OAC | CAI | CAG | H2 | 177.9° | 175.0° |
| OAC | CAI | CAG | H3 | 58.1° | 55.0° |
| OAC | CAI | CAK | H6 | 69.3° | 60.0° |
| CAI | CAG | OAA | H2 | 120.1° | 120.0° |
| CAI | CAG | OAA | H3 | 120.1° | 120.0° |
| CAI | CAG | OAA | H1 | 180.0° | 180.0° |
| CAI | CAG | H2 | H3 | 119.8° | 120.0° |
| CAG | CAI | OAC | H5 | 55.6° | 60.0° |
| CAG | CAI | CAK | H6 | 52.6° | 60.0° |
| OAA | CAG | H2 | H3 | 119.8° | 119.9° |
| OAA | CAG | CAI | H4 | 178.8° | 55.0° |
| H1 | OAA | CAG | H2 | 59.9° | 59.9° |
| H1 | OAA | CAG | H3 | 59.9° | 60.0° |
| H2 | CAG | CAI | H4 | 58.7° | 65.0° |
| H3 | CAG | CAI | H4 | 61.1° | 175.0° |
| H4 | CAI | OAC | H5 | 63.0° | 180.0° |
| H4 | CAI | CAK | H6 | 172.6° | 180.0° |
| H6 | CAK | OAE | H7 | 62.4° | 180.0° |
| H6 | CAK | CAL | H8 | 55.7° | 55.0° |
| H8 | CAL | OAF | H9 | 64.0° | 179.9° |
| H8 | CAL | CAJ | H10 | 169.3° | 55.0° |
| H10 | CAJ | OAD | H11 | 60.6° | 180.0° |
| H10 | CAJ | CAH | H12 | 175.7° | 65.0° |
| H10 | CAJ | CAH | H13 | 65.4° | 175.0° |
| H12 | CAH | OAB | H14 | 59.4° | 60.0° |
| H13 | CAH | OAB | H14 | 59.5° | 60.0° |
