VLN
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| NAH | CAE | sing | 1.47Å | 1.47Å | |
| OAJ | CAC | sing | 1.43Å | 1.43Å | |
| CAE | CAD | sing | 1.53Å | 1.53Å | |
| CAD | CAC | sing | 1.55Å | 1.52Å | |
| CAD | NAG | sing | 1.48Å | 1.48Å | |
| OAI | CAA | sing | 1.43Å | 1.44Å | |
| CAC | CAA | sing | 1.55Å | 1.51Å | |
| NAG | CAF | sing | 1.47Å | 1.47Å | |
| CAA | CAF | sing | 1.54Å | 1.51Å | |
| CAF | CAB | sing | 1.53Å | 1.53Å | |
| CAB | OAK | sing | 1.43Å | 1.43Å | |
| CAA | H1 | sing | 1.09Å | 1.10Å | |
| CAB | H2 | sing | 1.09Å | 1.10Å | |
| CAB | 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 | |
| CAE | H7 | sing | 1.09Å | 1.10Å | |
| CAF | H8 | sing | 1.09Å | 1.10Å | |
| NAG | H9 | sing | 1.01Å | 1.00Å | |
| NAH | H11 | sing | 1.01Å | 1.00Å | |
| NAH | H12 | sing | 1.01Å | 1.00Å | |
| OAI | H14 | sing | 0.97Å | 0.95Å | |
| OAJ | H15 | sing | 0.97Å | 0.95Å | |
| OAK | H16 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| NAH | CAE | CAD | 111.4° | 109.4° |
| NAH | CAE | H6 | 109.0° | 109.5° |
| NAH | CAE | H7 | 109.0° | 109.5° |
| CAE | NAH | H11 | 109.5° | 110.9° |
| CAE | NAH | H12 | 109.5° | 111.0° |
| OAJ | CAC | CAD | 110.1° | 111.0° |
| OAJ | CAC | CAA | 110.2° | 111.0° |
| OAJ | CAC | H4 | 112.5° | 110.8° |
| CAC | OAJ | H15 | 109.5° | 114.0° |
| CAE | CAD | CAC | 111.2° | 110.4° |
| CAE | CAD | NAG | 110.3° | 110.4° |
| CAE | CAD | H5 | 109.7° | 110.4° |
| CAD | CAE | H6 | 109.0° | 109.5° |
| CAD | CAE | H7 | 109.0° | 109.4° |
| CAC | CAD | NAG | 105.4° | 104.8° |
| CAD | CAC | CAA | 101.3° | 101.7° |
| CAD | CAC | H4 | 111.0° | 111.0° |
| CAC | CAD | H5 | 109.8° | 110.3° |
| CAD | NAG | CAF | 107.1° | 108.6° |
| NAG | CAD | H5 | 110.4° | 110.3° |
| CAD | NAG | H9 | 110.1° | 111.0° |
| OAI | CAA | CAC | 109.9° | 110.8° |
| OAI | CAA | CAF | 109.2° | 110.7° |
| OAI | CAA | H1 | 113.0° | 110.6° |
| CAA | OAI | H14 | 109.5° | 114.0° |
| CAC | CAA | CAF | 100.5° | 103.0° |
| CAC | CAA | H1 | 111.8° | 110.7° |
| CAA | CAC | H4 | 111.2° | 111.0° |
| NAG | CAF | CAA | 104.4° | 107.2° |
| NAG | CAF | CAB | 110.0° | 109.8° |
| NAG | CAF | H8 | 111.3° | 110.1° |
| CAF | NAG | H9 | 110.1° | 111.0° |
| CAA | CAF | CAB | 109.8° | 109.9° |
| CAF | CAA | H1 | 111.8° | 110.7° |
| CAA | CAF | H8 | 110.7° | 109.9° |
| CAF | CAB | OAK | 109.2° | 109.5° |
| CAF | CAB | H2 | 109.5° | 109.4° |
| CAF | CAB | H3 | 109.5° | 109.5° |
| CAB | CAF | H8 | 110.5° | 109.9° |
| OAK | CAB | H2 | 109.6° | 109.4° |
| OAK | CAB | H3 | 109.5° | 109.5° |
| CAB | OAK | H16 | 109.5° | 114.1° |
| H2 | CAB | H3 | 109.5° | 109.5° |
| H6 | CAE | H7 | 109.4° | 109.5° |
| H11 | NAH | H12 | 109.5° | 111.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| NAH | CAE | CAD | H6 | 120.3° | 120.1° |
| NAH | CAE | CAD | H7 | 120.3° | 119.9° |
| NAH | CAE | CAD | CAC | 82.1° | 175.0° |
| NAH | CAE | CAD | NAG | 161.3° | 59.6° |
| NAH | CAE | CAD | H5 | 39.5° | 62.7° |
| NAH | CAE | H6 | H7 | 119.1° | 120.0° |
| CAE | NAH | H11 | H12 | 120.0° | 123.8° |
| OAJ | CAC | CAD | CAE | 90.8° | 85.9° |
| OAJ | CAC | CAD | CAA | 116.6° | 118.2° |
| OAJ | CAC | CAD | H4 | 125.2° | 123.8° |
| OAJ | CAC | CAD | NAG | 149.6° | 155.2° |
| OAJ | CAC | CAA | OAI | 46.4° | 35.3° |
| OAJ | CAC | CAA | H4 | 125.4° | 123.8° |
| OAJ | CAC | CAA | CAF | 161.4° | 153.8° |
| OAJ | CAC | CAA | H1 | 79.9° | 87.8° |
| OAJ | CAC | CAD | H5 | 30.7° | 36.4° |
| CAE | CAD | CAC | NAG | 119.6° | 118.9° |
| CAE | CAD | CAC | H5 | 121.6° | 122.3° |
| CAE | CAD | NAG | H5 | 121.4° | 122.4° |
| CAE | CAD | CAC | CAA | 152.6° | 155.9° |
| CAE | CAD | NAG | CAF | 127.7° | 142.9° |
| CAE | CAD | CAC | H4 | 34.4° | 37.8° |
| CAD | CAE | H6 | H7 | 119.1° | 120.0° |
| CAE | CAD | NAG | H9 | 112.7° | 94.8° |
| CAD | CAE | NAH | H11 | 180.0° | 56.1° |
| CAD | CAE | NAH | H12 | 60.0° | 180.0° |
| CAC | CAD | NAG | H5 | 118.5° | 118.8° |
| CAD | CAC | CAA | OAI | 70.1° | 82.9° |
| CAD | CAC | CAA | H4 | 118.1° | 118.1° |
| CAC | CAD | NAG | CAF | 7.6° | 24.0° |
| CAD | CAC | CAA | CAF | 44.9° | 35.6° |
| CAD | CAC | CAA | H1 | 163.6° | 154.0° |
| CAC | CAD | CAE | H6 | 157.6° | 65.0° |
| CAC | CAD | CAE | H7 | 38.2° | 55.0° |
| CAC | CAD | NAG | H9 | 127.2° | 146.3° |
| CAD | CAC | OAJ | H15 | 180.0° | 173.8° |
| NAG | CAD | CAC | CAA | 33.0° | 37.0° |
| CAD | NAG | CAF | H9 | 119.7° | 122.3° |
| CAD | NAG | CAF | CAA | 21.0° | 0.9° |
| CAD | NAG | CAF | CAB | 138.7° | 118.4° |
| NAG | CAD | CAC | H4 | 85.2° | 81.1° |
| NAG | CAD | CAE | H6 | 41.0° | 179.6° |
| NAG | CAD | CAE | H7 | 78.4° | 60.4° |
| CAD | NAG | CAF | H8 | 98.5° | 120.4° |
| OAI | CAA | CAC | CAF | 115.0° | 118.5° |
| OAI | CAA | CAC | H1 | 126.3° | 123.1° |
| OAI | CAA | CAF | NAG | 74.3° | 96.2° |
| OAI | CAA | CAF | H1 | 125.8° | 123.1° |
| OAI | CAA | CAF | CAB | 43.6° | 23.1° |
| OAI | CAA | CAC | H4 | 171.8° | 159.1° |
| OAI | CAA | CAF | H8 | 165.9° | 144.2° |
| CAC | CAA | CAF | NAG | 41.2° | 22.3° |
| CAC | CAA | CAF | H1 | 118.7° | 118.4° |
| CAC | CAA | CAF | CAB | 159.1° | 141.6° |
| CAA | CAC | CAD | H5 | 85.9° | 81.8° |
| CAC | CAA | CAF | H8 | 78.6° | 97.3° |
| CAC | CAA | OAI | H14 | 180.0° | 66.3° |
| CAA | CAC | OAJ | H15 | 69.1° | 61.5° |
| NAG | CAF | CAA | CAB | 117.9° | 119.3° |
| NAG | CAF | CAA | H8 | 119.8° | 119.6° |
| NAG | CAF | CAB | H8 | 123.3° | 121.2° |
| NAG | CAF | CAB | OAK | 70.5° | 67.3° |
| NAG | CAF | CAA | H1 | 159.9° | 140.7° |
| NAG | CAF | CAB | H2 | 169.6° | 172.8° |
| NAG | CAF | CAB | H3 | 49.5° | 52.8° |
| CAF | NAG | CAD | H5 | 110.9° | 94.7° |
| CAA | CAF | CAB | H8 | 122.4° | 121.0° |
| CAA | CAF | CAB | OAK | 175.1° | 175.0° |
| CAA | CAF | CAB | H2 | 55.2° | 55.1° |
| CAA | CAF | CAB | H3 | 64.9° | 64.9° |
| CAF | CAA | CAC | H4 | 73.2° | 82.4° |
| CAA | CAF | NAG | H9 | 98.7° | 123.2° |
| CAF | CAA | OAI | H14 | 70.7° | 180.0° |
| CAF | CAB | OAK | H2 | 119.9° | 119.9° |
| CAF | CAB | OAK | H3 | 119.9° | 120.1° |
| CAB | CAF | CAA | H1 | 82.1° | 100.0° |
| CAF | CAB | H2 | H3 | 120.1° | 120.0° |
| CAB | CAF | NAG | H9 | 19.1° | 3.9° |
| CAF | CAB | OAK | H16 | 180.0° | 179.9° |
| OAK | CAB | H2 | H3 | 120.1° | 120.0° |
| OAK | CAB | CAF | H8 | 52.8° | 54.0° |
| H1 | CAA | CAC | H4 | 45.5° | 36.0° |
| H1 | CAA | CAF | H8 | 40.1° | 21.1° |
| H1 | CAA | OAI | H14 | 54.4° | 56.9° |
| H2 | CAB | CAF | H8 | 67.2° | 66.0° |
| H2 | CAB | OAK | H16 | 60.1° | 60.0° |
| H3 | CAB | CAF | H8 | 172.7° | 174.0° |
| H3 | CAB | OAK | H16 | 60.0° | 60.0° |
| H4 | CAC | CAD | H5 | 155.9° | 160.1° |
| H4 | CAC | OAJ | H15 | 55.7° | 62.4° |
| H5 | CAD | CAE | H6 | 80.8° | 57.3° |
| H5 | CAD | CAE | H7 | 159.8° | 177.3° |
| H5 | CAD | NAG | H9 | 8.7° | 27.5° |
| H6 | CAE | NAH | H11 | 59.7° | 63.9° |
| H6 | CAE | NAH | H12 | 60.3° | 59.9° |
| H7 | CAE | NAH | H11 | 59.7° | 176.1° |
| H7 | CAE | NAH | H12 | 179.7° | 60.1° |
| H8 | CAF | NAG | H9 | 141.9° | 117.3° |
