VMO
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OAK | CAD | sing | 1.43Å | 1.43Å | |
| CAE | CAD | sing | 1.54Å | 1.51Å | |
| CAE | NAH | sing | 1.49Å | 1.48Å | |
| OAJ | CAB | sing | 1.43Å | 1.44Å | |
| CAD | CAB | sing | 1.54Å | 1.50Å | |
| NAH | CAG | sing | 1.47Å | 1.47Å | |
| NAH | CAA | sing | 1.49Å | 1.48Å | |
| CAB | CAA | sing | 1.54Å | 1.51Å | |
| CAA | CAF | sing | 1.53Å | 1.53Å | |
| CAF | OAL | sing | 1.43Å | 1.43Å | |
| CAA | H1 | sing | 1.09Å | 1.10Å | |
| CAB | H2 | sing | 1.09Å | 1.10Å | |
| CAD | H3 | sing | 1.09Å | 1.10Å | |
| CAE | H4 | sing | 1.09Å | 1.10Å | |
| CAE | H5 | sing | 1.09Å | 1.10Å | |
| CAF | H6 | sing | 1.09Å | 1.10Å | |
| CAF | H7 | sing | 1.09Å | 1.10Å | |
| CAG | H8 | sing | 1.09Å | 1.10Å | |
| CAG | H9 | sing | 1.09Å | 1.10Å | |
| CAG | H10 | sing | 1.09Å | 1.10Å | |
| OAJ | H12 | sing | 0.97Å | 0.95Å | |
| OAK | H13 | sing | 0.97Å | 0.95Å | |
| OAL | H14 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OAK | CAD | CAE | 110.1° | 110.4° |
| OAK | CAD | CAB | 110.3° | 110.3° |
| OAK | CAD | H3 | 112.8° | 110.3° |
| CAD | OAK | H13 | 109.5° | 113.9° |
| CAD | CAE | NAH | 104.0° | 104.7° |
| CAE | CAD | CAB | 99.6° | 105.0° |
| CAE | CAD | H3 | 111.6° | 110.3° |
| CAD | CAE | H4 | 110.8° | 110.4° |
| CAD | CAE | H5 | 110.8° | 110.4° |
| CAE | NAH | CAG | 109.1° | 111.0° |
| CAE | NAH | CAA | 106.4° | 104.2° |
| NAH | CAE | H4 | 110.8° | 110.4° |
| NAH | CAE | H5 | 110.8° | 110.3° |
| OAJ | CAB | CAD | 109.6° | 110.4° |
| OAJ | CAB | CAA | 109.0° | 110.3° |
| OAJ | CAB | H2 | 113.1° | 110.2° |
| CAB | OAJ | H12 | 109.5° | 114.0° |
| CAD | CAB | CAA | 100.1° | 105.1° |
| CAD | CAB | H2 | 112.2° | 110.3° |
| CAB | CAD | H3 | 111.7° | 110.4° |
| CAG | NAH | CAA | 109.1° | 111.2° |
| NAH | CAG | H8 | 109.5° | 109.5° |
| NAH | CAG | H9 | 109.5° | 109.5° |
| NAH | CAG | H10 | 109.5° | 109.4° |
| NAH | CAA | CAB | 104.8° | 104.7° |
| NAH | CAA | CAF | 110.9° | 110.4° |
| NAH | CAA | H1 | 111.0° | 110.4° |
| CAB | CAA | CAF | 109.3° | 110.5° |
| CAB | CAA | H1 | 110.5° | 110.4° |
| CAA | CAB | H2 | 112.0° | 110.4° |
| CAA | CAF | OAL | 109.8° | 109.5° |
| CAF | CAA | H1 | 110.2° | 110.4° |
| CAA | CAF | H6 | 109.4° | 109.5° |
| CAA | CAF | H7 | 109.4° | 109.5° |
| OAL | CAF | H6 | 109.4° | 109.5° |
| OAL | CAF | H7 | 109.4° | 109.4° |
| CAF | OAL | H14 | 109.5° | 114.0° |
| H4 | CAE | H5 | 109.5° | 110.5° |
| H6 | CAF | H7 | 109.5° | 109.5° |
| H8 | CAG | H9 | 109.5° | 109.5° |
| H8 | CAG | H10 | 109.5° | 109.5° |
| H9 | CAG | H10 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OAK | CAD | CAE | CAB | 115.9° | 118.9° |
| OAK | CAD | CAE | H3 | 126.0° | 122.1° |
| OAK | CAD | CAE | NAH | 158.1° | 95.2° |
| OAK | CAD | CAB | OAJ | 50.2° | 0.0° |
| OAK | CAD | CAB | H3 | 126.3° | 122.1° |
| OAK | CAD | CAB | CAA | 164.7° | 118.9° |
| OAK | CAD | CAB | H2 | 76.4° | 122.1° |
| OAK | CAD | CAE | H4 | 38.9° | 23.7° |
| OAK | CAD | CAE | H5 | 82.8° | 146.1° |
| CAD | CAE | NAH | H4 | 119.2° | 118.8° |
| CAD | CAE | NAH | H5 | 119.1° | 118.8° |
| CAE | CAD | CAB | OAJ | 65.6° | 118.9° |
| CAE | CAD | CAB | H3 | 118.0° | 118.9° |
| CAD | CAE | NAH | CAG | 99.1° | 159.0° |
| CAD | CAE | NAH | CAA | 18.5° | 39.3° |
| CAE | CAD | CAB | CAA | 48.9° | 0.0° |
| CAE | CAD | CAB | H2 | 167.9° | 119.0° |
| CAD | CAE | H4 | H5 | 122.5° | 122.4° |
| CAE | CAD | OAK | H13 | 180.0° | 64.3° |
| NAH | CAE | CAD | CAB | 42.2° | 23.8° |
| CAE | NAH | CAG | CAA | 115.9° | 115.5° |
| CAE | NAH | CAA | CAB | 12.5° | 39.3° |
| CAE | NAH | CAA | CAF | 130.3° | 158.2° |
| CAE | NAH | CAA | H1 | 106.8° | 79.5° |
| NAH | CAE | CAD | H3 | 75.9° | 142.7° |
| NAH | CAE | H4 | H5 | 122.5° | 122.3° |
| CAE | NAH | CAG | H8 | 180.0° | 60.1° |
| CAE | NAH | CAG | H9 | 60.0° | 179.8° |
| CAE | NAH | CAG | H10 | 60.0° | 59.9° |
| OAJ | CAB | CAD | CAA | 114.5° | 118.9° |
| OAJ | CAB | CAD | H2 | 126.5° | 122.1° |
| OAJ | CAB | CAA | NAH | 76.3° | 95.2° |
| OAJ | CAB | CAA | H2 | 126.0° | 122.1° |
| OAJ | CAB | CAA | CAF | 42.6° | 23.7° |
| OAJ | CAB | CAA | H1 | 164.0° | 146.0° |
| OAJ | CAB | CAD | H3 | 176.5° | 122.2° |
| CAD | CAB | CAA | NAH | 38.6° | 23.7° |
| CAD | CAB | CAA | H2 | 119.0° | 119.0° |
| CAD | CAB | CAA | CAF | 157.5° | 142.6° |
| CAD | CAB | CAA | H1 | 81.0° | 95.0° |
| CAB | CAD | CAE | H4 | 77.0° | 142.6° |
| CAB | CAD | CAE | H5 | 161.3° | 94.9° |
| CAD | CAB | OAJ | H12 | 180.0° | 64.3° |
| CAB | CAD | OAK | H13 | 71.1° | 180.0° |
| CAG | NAH | CAA | CAB | 130.1° | 158.9° |
| CAG | NAH | CAA | CAF | 112.2° | 82.2° |
| CAG | NAH | CAA | H1 | 10.7° | 40.1° |
| CAG | NAH | CAE | H4 | 141.8° | 82.2° |
| CAG | NAH | CAE | H5 | 20.0° | 40.3° |
| NAH | CAG | H8 | H9 | 120.0° | 120.1° |
| NAH | CAG | H8 | H10 | 120.0° | 120.0° |
| NAH | CAG | H9 | H10 | 120.0° | 120.0° |
| NAH | CAA | CAB | CAF | 118.9° | 118.9° |
| NAH | CAA | CAB | H1 | 119.6° | 118.8° |
| NAH | CAA | CAF | H1 | 123.4° | 122.3° |
| NAH | CAA | CAF | OAL | 66.1° | 68.0° |
| NAH | CAA | CAB | H2 | 157.7° | 142.7° |
| CAA | NAH | CAE | H4 | 100.7° | 158.1° |
| CAA | NAH | CAE | H5 | 137.6° | 79.5° |
| NAH | CAA | CAF | H6 | 173.9° | 172.0° |
| NAH | CAA | CAF | H7 | 54.0° | 52.0° |
| CAA | NAH | CAG | H8 | 64.1° | 55.4° |
| CAA | NAH | CAG | H9 | 175.9° | 64.7° |
| CAA | NAH | CAG | H10 | 55.9° | 175.4° |
| CAB | CAA | CAF | H1 | 121.6° | 122.3° |
| CAB | CAA | CAF | OAL | 178.9° | 176.6° |
| CAA | CAB | CAD | H3 | 69.0° | 118.9° |
| CAB | CAA | CAF | H6 | 58.9° | 56.6° |
| CAB | CAA | CAF | H7 | 61.0° | 63.4° |
| CAA | CAB | OAJ | H12 | 71.3° | 180.0° |
| CAA | CAF | OAL | H6 | 120.0° | 120.0° |
| CAA | CAF | OAL | H7 | 120.0° | 120.0° |
| CAF | CAA | CAB | H2 | 83.4° | 98.4° |
| CAA | CAF | H6 | H7 | 119.8° | 120.0° |
| CAA | CAF | OAL | H14 | 180.0° | 180.0° |
| OAL | CAF | CAA | H1 | 57.3° | 54.3° |
| OAL | CAF | H6 | H7 | 119.9° | 120.0° |
| H1 | CAA | CAB | H2 | 38.1° | 23.9° |
| H1 | CAA | CAF | H6 | 62.7° | 65.7° |
| H1 | CAA | CAF | H7 | 177.3° | 174.3° |
| H2 | CAB | CAD | H3 | 50.0° | 0.1° |
| H2 | CAB | OAJ | H12 | 54.0° | 57.8° |
| H3 | CAD | CAE | H4 | 165.0° | 98.5° |
| H3 | CAD | CAE | H5 | 43.2° | 24.0° |
| H3 | CAD | OAK | H13 | 54.7° | 57.8° |
| H6 | CAF | OAL | H14 | 59.9° | 60.0° |
| H7 | CAF | OAL | H14 | 60.0° | 60.0° |
| H8 | CAG | H9 | H10 | 120.0° | 120.0° |
