VMF
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OAJ | CAC | sing | 1.43Å | 1.44Å | |
| CAC | CAA | sing | 1.53Å | 1.51Å | |
| CAA | CAB | sing | 1.55Å | 1.53Å | |
| CAA | NAG | sing | 1.48Å | 1.48Å | |
| CAB | CAD | sing | 1.55Å | 1.52Å | |
| CAB | OAH | sing | 1.43Å | 1.43Å | |
| NAG | CAE | sing | 1.47Å | 1.47Å | |
| CAD | CAE | sing | 1.54Å | 1.54Å | |
| CAD | OAI | sing | 1.43Å | 1.44Å | |
| CAE | CAF | sing | 1.53Å | 1.53Å | |
| CAF | OAK | sing | 1.43Å | 1.42Å | |
| CAA | H1 | sing | 1.09Å | 1.10Å | |
| CAB | H2 | sing | 1.09Å | 1.10Å | |
| CAC | H3 | sing | 1.09Å | 1.10Å | |
| CAC | H4 | sing | 1.09Å | 1.10Å | |
| CAD | H5 | sing | 1.09Å | 1.10Å | |
| CAE | H6 | sing | 1.09Å | 1.10Å | |
| CAF | H7 | sing | 1.09Å | 1.10Å | |
| CAF | H8 | sing | 1.09Å | 1.10Å | |
| NAG | H9 | sing | 1.01Å | 1.00Å | |
| OAH | H11 | sing | 0.97Å | 0.95Å | |
| OAI | H12 | sing | 0.97Å | 0.95Å | |
| OAJ | H13 | sing | 0.97Å | 0.95Å | |
| OAK | H14 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OAJ | CAC | CAA | 108.3° | 109.5° |
| OAJ | CAC | H3 | 109.8° | 109.5° |
| OAJ | CAC | H4 | 109.8° | 109.5° |
| CAC | OAJ | H13 | 109.5° | 113.9° |
| CAC | CAA | CAB | 110.4° | 110.4° |
| CAC | CAA | NAG | 108.3° | 110.4° |
| CAC | CAA | H1 | 110.8° | 110.4° |
| CAA | CAC | H3 | 109.8° | 109.5° |
| CAA | CAC | H4 | 109.8° | 109.4° |
| CAB | CAA | NAG | 105.1° | 104.8° |
| CAA | CAB | CAD | 98.4° | 101.6° |
| CAA | CAB | OAH | 109.6° | 111.0° |
| CAB | CAA | H1 | 110.7° | 110.4° |
| CAA | CAB | H2 | 111.8° | 110.9° |
| CAA | NAG | CAE | 107.1° | 108.6° |
| NAG | CAA | H1 | 111.4° | 110.4° |
| CAA | NAG | H9 | 110.0° | 111.0° |
| CAD | CAB | OAH | 110.7° | 111.0° |
| CAB | CAD | CAE | 101.0° | 103.0° |
| CAB | CAD | OAI | 111.1° | 110.7° |
| CAD | CAB | H2 | 111.9° | 111.0° |
| CAB | CAD | H5 | 110.6° | 110.7° |
| OAH | CAB | H2 | 113.4° | 110.9° |
| CAB | OAH | H11 | 109.5° | 114.0° |
| NAG | CAE | CAD | 104.2° | 107.2° |
| NAG | CAE | CAF | 108.9° | 109.9° |
| NAG | CAE | H6 | 111.2° | 110.0° |
| CAE | NAG | H9 | 110.1° | 111.0° |
| CAE | CAD | OAI | 111.4° | 110.7° |
| CAD | CAE | CAF | 111.5° | 109.9° |
| CAE | CAD | H5 | 110.3° | 110.7° |
| CAD | CAE | H6 | 110.3° | 109.9° |
| OAI | CAD | H5 | 111.9° | 110.7° |
| CAD | OAI | H12 | 109.5° | 114.0° |
| CAE | CAF | OAK | 110.4° | 109.5° |
| CAF | CAE | H6 | 110.5° | 109.9° |
| CAE | CAF | H7 | 109.2° | 109.4° |
| CAE | CAF | H8 | 109.2° | 109.5° |
| OAK | CAF | H7 | 109.3° | 109.5° |
| OAK | CAF | H8 | 109.2° | 109.5° |
| CAF | OAK | H14 | 109.5° | 114.1° |
| H3 | CAC | H4 | 109.5° | 109.5° |
| H7 | CAF | H8 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OAJ | CAC | CAA | H3 | 119.8° | 120.0° |
| OAJ | CAC | CAA | H4 | 119.8° | 120.0° |
| OAJ | CAC | CAA | CAB | 178.9° | 175.0° |
| OAJ | CAC | CAA | NAG | 66.6° | 69.6° |
| OAJ | CAC | CAA | H1 | 55.9° | 52.7° |
| OAJ | CAC | H3 | H4 | 120.5° | 120.0° |
| CAC | CAA | CAB | NAG | 116.6° | 118.8° |
| CAC | CAA | CAB | H1 | 123.0° | 122.3° |
| CAC | CAA | NAG | H1 | 122.2° | 122.3° |
| CAC | CAA | CAB | CAD | 158.5° | 155.9° |
| CAC | CAA | CAB | OAH | 42.9° | 37.8° |
| CAC | CAA | NAG | CAE | 137.3° | 143.0° |
| CAC | CAA | CAB | H2 | 83.8° | 86.0° |
| CAA | CAC | H3 | H4 | 120.5° | 119.9° |
| CAC | CAA | NAG | H9 | 103.1° | 94.8° |
| CAA | CAC | OAJ | H13 | 180.0° | 180.0° |
| CAB | CAA | NAG | H1 | 119.9° | 118.8° |
| CAA | CAB | CAD | OAH | 114.7° | 118.1° |
| CAA | CAB | CAD | H2 | 117.7° | 118.0° |
| CAA | CAB | OAH | H2 | 125.8° | 123.8° |
| CAB | CAA | NAG | CAE | 19.3° | 24.1° |
| CAA | CAB | CAD | CAE | 47.7° | 35.7° |
| CAA | CAB | CAD | OAI | 166.0° | 154.1° |
| CAB | CAA | CAC | H3 | 61.3° | 55.0° |
| CAB | CAA | CAC | H4 | 59.1° | 65.0° |
| CAA | CAB | CAD | H5 | 69.2° | 82.7° |
| CAB | CAA | NAG | H9 | 139.0° | 146.4° |
| CAA | CAB | OAH | H11 | 180.0° | 180.0° |
| NAG | CAA | CAB | CAD | 41.9° | 37.1° |
| NAG | CAA | CAB | OAH | 73.7° | 81.0° |
| CAA | NAG | CAE | H9 | 119.6° | 122.2° |
| CAA | NAG | CAE | CAD | 11.3° | 1.0° |
| CAA | NAG | CAE | CAF | 130.4° | 118.4° |
| NAG | CAA | CAB | H2 | 159.7° | 155.2° |
| NAG | CAA | CAC | H3 | 53.2° | 170.4° |
| NAG | CAA | CAC | H4 | 173.6° | 50.4° |
| CAA | NAG | CAE | H6 | 107.6° | 120.5° |
| CAD | CAB | OAH | H2 | 126.8° | 123.9° |
| CAB | CAD | CAE | NAG | 37.6° | 22.3° |
| CAB | CAD | CAE | OAI | 118.1° | 118.4° |
| CAB | CAD | CAE | H5 | 117.1° | 118.4° |
| CAB | CAD | OAI | H5 | 124.2° | 123.2° |
| CAB | CAD | CAE | CAF | 154.9° | 141.7° |
| CAD | CAB | CAA | H1 | 78.5° | 81.7° |
| CAB | CAD | CAE | H6 | 81.9° | 97.2° |
| CAD | CAB | OAH | H11 | 72.5° | 67.8° |
| CAB | CAD | OAI | H12 | 180.0° | 61.4° |
| OAH | CAB | CAD | CAE | 67.0° | 82.4° |
| OAH | CAB | CAD | OAI | 51.3° | 36.0° |
| OAH | CAB | CAA | H1 | 166.0° | 160.2° |
| OAH | CAB | CAD | H5 | 176.1° | 159.2° |
| NAG | CAE | CAD | CAF | 117.4° | 119.4° |
| NAG | CAE | CAD | H6 | 119.5° | 119.5° |
| NAG | CAE | CAD | OAI | 155.7° | 140.6° |
| NAG | CAE | CAF | H6 | 122.5° | 121.2° |
| NAG | CAE | CAF | OAK | 179.8° | 67.2° |
| CAE | NAG | CAA | H1 | 100.5° | 94.7° |
| NAG | CAE | CAD | H5 | 79.5° | 96.1° |
| NAG | CAE | CAF | H7 | 59.6° | 172.8° |
| NAG | CAE | CAF | H8 | 60.0° | 52.8° |
| CAE | CAD | OAI | H5 | 124.0° | 123.2° |
| CAD | CAE | CAF | H6 | 123.0° | 121.0° |
| CAD | CAE | CAF | OAK | 65.4° | 175.0° |
| CAE | CAD | CAB | H2 | 165.4° | 153.7° |
| CAD | CAE | CAF | H7 | 54.8° | 55.0° |
| CAD | CAE | CAF | H8 | 174.5° | 65.0° |
| CAD | CAE | NAG | H9 | 108.3° | 123.3° |
| CAE | CAD | OAI | H12 | 68.2° | 175.0° |
| OAI | CAD | CAE | CAF | 87.0° | 99.9° |
| OAI | CAD | CAB | H2 | 76.4° | 87.9° |
| OAI | CAD | CAE | H6 | 36.2° | 21.1° |
| CAE | CAF | OAK | H7 | 120.2° | 120.0° |
| CAE | CAF | OAK | H8 | 120.1° | 120.0° |
| CAF | CAE | CAD | H5 | 37.9° | 23.3° |
| CAE | CAF | H7 | H8 | 119.5° | 120.0° |
| CAF | CAE | NAG | H9 | 10.7° | 3.8° |
| CAE | CAF | OAK | H14 | 180.0° | 180.0° |
| OAK | CAF | CAE | H6 | 57.7° | 53.9° |
| OAK | CAF | H7 | H8 | 119.6° | 120.0° |
| H1 | CAA | CAB | H2 | 39.3° | 36.3° |
| H1 | CAA | CAC | H3 | 175.8° | 67.3° |
| H1 | CAA | CAC | H4 | 63.9° | 172.7° |
| H1 | CAA | NAG | H9 | 19.1° | 27.5° |
| H2 | CAB | CAD | H5 | 48.5° | 35.3° |
| H2 | CAB | OAH | H11 | 54.3° | 56.1° |
| H3 | CAC | OAJ | H13 | 60.2° | 60.0° |
| H4 | CAC | OAJ | H13 | 60.2° | 60.0° |
| H5 | CAD | CAE | H6 | 161.0° | 144.3° |
| H5 | CAD | OAI | H12 | 55.8° | 61.8° |
| H6 | CAE | CAF | H7 | 177.8° | 66.0° |
| H6 | CAE | CAF | H8 | 62.5° | 174.0° |
| H6 | CAE | NAG | H9 | 132.8° | 117.3° |
| H7 | CAF | OAK | H14 | 59.8° | 60.0° |
| H8 | CAF | OAK | H14 | 59.9° | 60.0° |
