VPM
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAB | CAK | sing | 1.53Å | 1.53Å | |
| CAA | CAK | sing | 1.53Å | 1.53Å | |
| OAG | CAL | sing | 1.43Å | 1.41Å | |
| CAK | CAL | sing | 1.53Å | 1.55Å | |
| CAL | CAJ | sing | 1.51Å | 1.54Å | |
| CAL | CAH | sing | 1.53Å | 1.54Å | |
| OAD | CAJ | doub | 1.21Å | 1.40Å | |
| CAJ | OAF | sing | 1.34Å | 1.19Å | |
| OAE | CAI | doub | 1.21Å | 1.19Å | |
| OAC | CAI | sing | 1.34Å | 1.39Å | |
| CAI | CAH | sing | 1.51Å | 1.53Å | |
| CAA | H1 | sing | 1.09Å | 1.10Å | |
| CAA | H2 | sing | 1.09Å | 1.10Å | |
| CAA | H3 | sing | 1.09Å | 1.10Å | |
| CAK | H4 | sing | 1.09Å | 1.10Å | |
| CAB | H5 | sing | 1.09Å | 1.10Å | |
| CAB | H6 | sing | 1.09Å | 1.10Å | |
| CAB | H7 | sing | 1.09Å | 1.10Å | |
| OAF | H8 | sing | 0.97Å | 0.95Å | |
| OAG | H9 | sing | 0.97Å | 0.95Å | |
| CAH | H10 | sing | 1.09Å | 1.10Å | |
| CAH | H11 | sing | 1.09Å | 1.10Å | |
| OAC | H12 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAB | CAK | CAA | 111.2° | 109.5° |
| CAB | CAK | CAL | 114.6° | 109.5° |
| CAB | CAK | H4 | 104.6° | 109.5° |
| CAK | CAB | H5 | 109.5° | 109.5° |
| CAK | CAB | H6 | 109.5° | 109.5° |
| CAK | CAB | H7 | 109.5° | 109.5° |
| CAA | CAK | CAL | 115.9° | 109.5° |
| CAK | CAA | H1 | 109.5° | 109.4° |
| CAK | CAA | H2 | 109.4° | 109.5° |
| CAK | CAA | H3 | 109.5° | 109.4° |
| CAA | CAK | H4 | 104.6° | 109.4° |
| OAG | CAL | CAK | 108.9° | 109.4° |
| OAG | CAL | CAJ | 109.3° | 109.4° |
| OAG | CAL | CAH | 108.7° | 109.5° |
| CAL | OAG | H9 | 109.5° | 114.0° |
| CAK | CAL | CAJ | 110.5° | 109.5° |
| CAK | CAL | CAH | 113.2° | 109.5° |
| CAL | CAK | H4 | 104.4° | 109.5° |
| CAJ | CAL | CAH | 106.2° | 109.5° |
| CAL | CAJ | OAD | 118.7° | 120.0° |
| CAL | CAJ | OAF | 120.3° | 120.0° |
| CAL | CAH | CAI | 119.3° | 109.5° |
| CAL | CAH | H10 | 107.0° | 109.5° |
| CAL | CAH | H11 | 107.0° | 109.5° |
| OAD | CAJ | OAF | 118.6° | 119.9° |
| CAJ | OAF | H8 | 109.5° | 117.1° |
| OAE | CAI | OAC | 119.6° | 120.0° |
| OAE | CAI | CAH | 121.3° | 120.0° |
| OAC | CAI | CAH | 118.7° | 120.0° |
| CAI | OAC | H12 | 109.5° | 117.0° |
| CAI | CAH | H10 | 107.0° | 109.4° |
| CAI | CAH | H11 | 107.0° | 109.5° |
| H1 | CAA | H2 | 109.5° | 109.5° |
| H1 | CAA | H3 | 109.5° | 109.5° |
| H2 | CAA | H3 | 109.5° | 109.5° |
| H5 | CAB | H6 | 109.5° | 109.5° |
| H5 | CAB | H7 | 109.4° | 109.4° |
| H6 | CAB | H7 | 109.5° | 109.5° |
| H10 | CAH | H11 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAB | CAK | CAA | CAL | 133.3° | 120.0° |
| CAB | CAK | CAA | H4 | 112.3° | 119.9° |
| CAB | CAK | CAL | OAG | 60.6° | 175.0° |
| CAB | CAK | CAL | H4 | 113.8° | 120.0° |
| CAB | CAK | CAL | CAJ | 59.4° | 65.0° |
| CAB | CAK | CAL | CAH | 178.4° | 55.0° |
| CAB | CAK | CAA | H1 | 180.0° | 60.1° |
| CAB | CAK | CAA | H2 | 60.0° | 60.0° |
| CAB | CAK | CAA | H3 | 60.0° | 180.0° |
| CAK | CAB | H5 | H6 | 120.0° | 120.0° |
| CAK | CAB | H5 | H7 | 120.0° | 120.0° |
| CAK | CAB | H6 | H7 | 120.0° | 120.0° |
| CAA | CAK | CAL | OAG | 71.1° | 65.0° |
| CAA | CAK | CAL | H4 | 114.5° | 120.0° |
| CAA | CAK | CAL | CAJ | 168.9° | 55.0° |
| CAA | CAK | CAL | CAH | 49.9° | 175.0° |
| CAK | CAA | H1 | H2 | 120.0° | 120.0° |
| CAK | CAA | H1 | H3 | 120.0° | 119.9° |
| CAK | CAA | H2 | H3 | 120.0° | 120.0° |
| CAA | CAK | CAB | H5 | 180.0° | 60.0° |
| CAA | CAK | CAB | H6 | 60.0° | 180.0° |
| CAA | CAK | CAB | H7 | 60.0° | 60.0° |
| OAG | CAL | CAK | CAJ | 120.0° | 120.0° |
| OAG | CAL | CAK | CAH | 121.0° | 120.0° |
| OAG | CAL | CAJ | CAH | 117.1° | 120.0° |
| OAG | CAL | CAJ | OAD | 20.2° | 0.0° |
| OAG | CAL | CAJ | OAF | 177.7° | 180.0° |
| OAG | CAL | CAH | CAI | 20.9° | 60.0° |
| OAG | CAL | CAK | H4 | 174.4° | 55.0° |
| OAG | CAL | CAH | H10 | 142.3° | 60.0° |
| OAG | CAL | CAH | H11 | 100.5° | 180.0° |
| CAK | CAL | CAJ | CAH | 123.2° | 120.0° |
| CAK | CAL | CAJ | OAD | 140.0° | 120.0° |
| CAK | CAL | CAJ | OAF | 58.0° | 60.0° |
| CAK | CAL | CAH | CAI | 100.3° | 180.0° |
| CAL | CAK | CAA | H1 | 46.7° | 60.0° |
| CAL | CAK | CAA | H2 | 73.3° | 180.0° |
| CAL | CAK | CAA | H3 | 166.7° | 60.0° |
| CAL | CAK | CAB | H5 | 46.1° | 60.0° |
| CAL | CAK | CAB | H6 | 166.1° | 60.0° |
| CAL | CAK | CAB | H7 | 73.9° | 180.0° |
| CAK | CAL | OAG | H9 | 130.5° | 60.1° |
| CAK | CAL | CAH | H10 | 21.1° | 60.0° |
| CAK | CAL | CAH | H11 | 138.3° | 60.0° |
| CAL | CAJ | OAD | OAF | 162.4° | 180.0° |
| CAJ | CAL | CAH | CAI | 138.3° | 60.0° |
| CAJ | CAL | CAK | H4 | 54.4° | 175.0° |
| CAL | CAJ | OAF | H8 | 162.1° | 180.0° |
| CAJ | CAL | OAG | H9 | 9.7° | 180.0° |
| CAJ | CAL | CAH | H10 | 100.3° | 179.9° |
| CAJ | CAL | CAH | H11 | 16.9° | 60.0° |
| CAH | CAL | CAJ | OAD | 96.9° | 120.0° |
| CAH | CAL | CAJ | OAF | 65.2° | 60.0° |
| CAL | CAH | CAI | OAE | 65.4° | 0.0° |
| CAL | CAH | CAI | OAC | 107.9° | 180.0° |
| CAL | CAH | CAI | H10 | 121.4° | 120.0° |
| CAL | CAH | CAI | H11 | 121.4° | 120.0° |
| CAH | CAL | CAK | H4 | 64.6° | 65.0° |
| CAH | CAL | OAG | H9 | 105.7° | 59.9° |
| CAL | CAH | H10 | H11 | 115.5° | 120.0° |
| OAD | CAJ | OAF | H8 | 0.0° | 0.0° |
| OAE | CAI | OAC | CAH | 173.4° | 180.0° |
| OAE | CAI | CAH | H10 | 173.2° | 120.0° |
| OAE | CAI | CAH | H11 | 56.0° | 120.0° |
| OAE | CAI | OAC | H12 | 0.0° | 0.0° |
| OAC | CAI | CAH | H10 | 13.5° | 60.0° |
| OAC | CAI | CAH | H11 | 130.7° | 60.0° |
| CAI | CAH | H10 | H11 | 115.6° | 120.0° |
| CAH | CAI | OAC | H12 | 173.4° | 180.0° |
| H1 | CAA | H2 | H3 | 120.0° | 120.0° |
| H1 | CAA | CAK | H4 | 67.7° | 180.0° |
| H2 | CAA | CAK | H4 | 172.3° | 60.0° |
| H3 | CAA | CAK | H4 | 52.3° | 60.1° |
| H4 | CAK | CAB | H5 | 67.7° | 179.9° |
| H4 | CAK | CAB | H6 | 52.4° | 60.0° |
| H4 | CAK | CAB | H7 | 172.4° | 60.0° |
| H5 | CAB | H6 | H7 | 120.0° | 119.9° |
