VPU
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C3 | C2 | sing | 1.53Å | 1.54Å | |
| C2 | C1 | sing | 1.53Å | 1.54Å | |
| C1 | CAH | sing | 1.53Å | 1.53Å | |
| CAH | CAG | sing | 1.51Å | 1.53Å | |
| CAG | OAN | doub | 1.21Å | 1.23Å | |
| CAG | NAI | sing | 1.35Å | 1.33Å | |
| NAI | CAB | sing | 1.47Å | 1.48Å | |
| CAB | CAC | sing | 1.53Å | 1.55Å | |
| CAB | CAA | sing | 1.51Å | 1.55Å | |
| CAC | OAJ | sing | 1.43Å | 1.44Å | |
| CAC | CAD | sing | 1.53Å | 1.52Å | |
| CAD | OAK | sing | 1.43Å | 1.44Å | |
| CAD | CAE | sing | 1.53Å | 1.53Å | |
| CAE | CAF | sing | 1.53Å | 1.53Å | |
| CAE | OAL | sing | 1.43Å | 1.48Å | |
| CAF | OAM | sing | 1.43Å | 1.43Å | |
| OAL | CAA | sing | 1.36Å | 1.39Å | |
| CAA | NAY | doub | 1.29Å | 1.36Å | |
| NAY | OAQ | sing | 1.22Å | 1.39Å | |
| OAQ | CAP | sing | 1.35Å | 1.40Å | |
| CAP | OAR | doub | 1.22Å | 1.23Å | |
| CAP | NAO | sing | 1.35Å | 1.34Å | |
| NAO | CAS | sing | 1.40Å | 1.34Å | |
| CAS | CAT | doub | 1.39Å | 1.40Å | Aromatic |
| CAS | CAX | sing | 1.39Å | 1.40Å | Aromatic |
| CAT | CAU | sing | 1.38Å | 1.40Å | Aromatic |
| CAU | CAV | doub | 1.38Å | 1.39Å | Aromatic |
| CAV | CAW | sing | 1.38Å | 1.39Å | Aromatic |
| CAW | CAX | doub | 1.38Å | 1.39Å | Aromatic |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C3 | H3A | sing | 1.09Å | 1.10Å | |
| C3 | H3B | sing | 1.09Å | 1.10Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C2 | H2A | sing | 1.09Å | 1.10Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H1A | sing | 1.09Å | 1.10Å | |
| CAH | HAH | sing | 1.09Å | 1.10Å | |
| CAH | HAHA | sing | 1.09Å | 1.10Å | |
| NAI | HNAI | sing | 0.97Å | 1.00Å | |
| CAB | HAB | sing | 1.09Å | 1.10Å | |
| CAC | HAC | sing | 1.09Å | 1.10Å | |
| OAJ | HOAJ | sing | 0.97Å | 0.95Å | |
| CAD | HAD | sing | 1.09Å | 1.10Å | |
| OAK | HOAK | sing | 0.97Å | 0.95Å | |
| CAE | HAE | sing | 1.09Å | 1.10Å | |
| CAF | HAF | sing | 1.09Å | 1.10Å | |
| CAF | HAFA | sing | 1.09Å | 1.10Å | |
| OAM | HOAM | sing | 0.97Å | 0.95Å | |
| NAO | HNAO | sing | 0.97Å | 1.00Å | |
| CAT | HAT | sing | 1.08Å | 1.08Å | |
| CAU | HAU | sing | 1.08Å | 1.08Å | |
| CAV | HAV | sing | 1.08Å | 1.08Å | |
| CAW | HAW | sing | 1.08Å | 1.08Å | |
| CAX | HAX | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C3 | C2 | C1 | 113.0° | 109.5° |
| C2 | C3 | H3 | 109.5° | 109.5° |
| C2 | C3 | H3A | 109.5° | 109.5° |
| C2 | C3 | H3B | 109.4° | 109.5° |
| C3 | C2 | H2 | 108.3° | 109.5° |
| C3 | C2 | H2A | 107.5° | 109.5° |
| C2 | C1 | CAH | 109.9° | 109.5° |
| C1 | C2 | H2 | 108.3° | 109.5° |
| C1 | C2 | H2A | 107.6° | 109.5° |
| C2 | C1 | H1 | 109.3° | 109.4° |
| C2 | C1 | H1A | 109.2° | 109.5° |
| C1 | CAH | CAG | 108.9° | 109.5° |
| CAH | C1 | H1 | 109.3° | 109.5° |
| CAH | C1 | H1A | 109.2° | 109.5° |
| C1 | CAH | HAH | 109.6° | 109.4° |
| C1 | CAH | HAHA | 109.8° | 109.5° |
| CAH | CAG | OAN | 120.2° | 120.0° |
| CAH | CAG | NAI | 116.3° | 120.0° |
| CAG | CAH | HAH | 109.7° | 109.5° |
| CAG | CAH | HAHA | 109.8° | 109.5° |
| OAN | CAG | NAI | 123.5° | 120.0° |
| CAG | NAI | CAB | 120.0° | 120.0° |
| CAG | NAI | HNAI | 120.0° | 120.0° |
| NAI | CAB | CAC | 113.3° | 109.7° |
| NAI | CAB | CAA | 112.5° | 109.7° |
| CAB | NAI | HNAI | 120.0° | 120.0° |
| NAI | CAB | HAB | 105.8° | 109.7° |
| CAC | CAB | CAA | 113.0° | 108.3° |
| CAB | CAC | OAJ | 112.1° | 109.6° |
| CAB | CAC | CAD | 105.2° | 108.9° |
| CAC | CAB | HAB | 105.2° | 109.7° |
| CAB | CAC | HAC | 110.6° | 109.6° |
| CAB | CAA | OAL | 123.3° | 118.1° |
| CAB | CAA | NAY | 113.6° | 120.9° |
| CAA | CAB | HAB | 106.1° | 109.8° |
| OAJ | CAC | CAD | 109.6° | 109.6° |
| OAJ | CAC | HAC | 106.4° | 109.6° |
| CAC | OAJ | HOAJ | 109.5° | 114.0° |
| CAC | CAD | OAK | 111.5° | 109.5° |
| CAC | CAD | CAE | 108.5° | 109.4° |
| CAD | CAC | HAC | 113.1° | 109.7° |
| CAC | CAD | HAD | 109.8° | 109.5° |
| OAK | CAD | CAE | 112.2° | 109.5° |
| OAK | CAD | HAD | 105.8° | 109.5° |
| CAD | OAK | HOAK | 109.5° | 114.0° |
| CAD | CAE | CAF | 105.9° | 109.5° |
| CAD | CAE | OAL | 111.4° | 109.3° |
| CAE | CAD | HAD | 109.0° | 109.5° |
| CAD | CAE | HAE | 111.7° | 109.4° |
| CAF | CAE | OAL | 112.6° | 109.5° |
| CAE | CAF | OAM | 109.7° | 109.5° |
| CAF | CAE | HAE | 110.5° | 109.5° |
| CAE | CAF | HAF | 109.4° | 109.5° |
| CAE | CAF | HAFA | 109.3° | 109.5° |
| CAE | OAL | CAA | 118.3° | 115.7° |
| OAL | CAE | HAE | 104.9° | 109.5° |
| OAM | CAF | HAF | 109.4° | 109.5° |
| OAM | CAF | HAFA | 109.3° | 109.5° |
| CAF | OAM | HOAM | 109.5° | 114.1° |
| OAL | CAA | NAY | 123.0° | 121.0° |
| CAA | NAY | OAQ | 131.6° | 119.9° |
| NAY | OAQ | CAP | 107.7° | 117.0° |
| OAQ | CAP | OAR | 121.0° | 119.9° |
| OAQ | CAP | NAO | 121.7° | 120.0° |
| OAR | CAP | NAO | 117.3° | 120.1° |
| CAP | NAO | CAS | 128.7° | 120.0° |
| CAP | NAO | HNAO | 115.6° | 120.0° |
| NAO | CAS | CAT | 120.8° | 120.1° |
| NAO | CAS | CAX | 119.2° | 120.1° |
| CAS | NAO | HNAO | 115.7° | 119.9° |
| CAT | CAS | CAX | 119.9° | 119.8° |
| CAS | CAT | CAU | 120.0° | 120.0° |
| CAS | CAT | HAT | 120.0° | 120.0° |
| CAS | CAX | CAW | 119.8° | 119.9° |
| CAS | CAX | HAX | 120.1° | 120.0° |
| CAT | CAU | CAV | 120.0° | 120.1° |
| CAU | CAT | HAT | 120.0° | 120.0° |
| CAT | CAU | HAU | 120.0° | 120.0° |
| CAU | CAV | CAW | 119.9° | 120.1° |
| CAV | CAU | HAU | 120.0° | 119.9° |
| CAU | CAV | HAV | 120.0° | 120.0° |
| CAV | CAW | CAX | 120.3° | 120.1° |
| CAW | CAV | HAV | 120.0° | 119.9° |
| CAV | CAW | HAW | 119.8° | 119.9° |
| CAX | CAW | HAW | 119.8° | 120.0° |
| CAW | CAX | HAX | 120.1° | 120.0° |
| H3 | C3 | H3A | 109.5° | 109.4° |
| H3 | C3 | H3B | 109.5° | 109.4° |
| H3A | C3 | H3B | 109.5° | 109.5° |
| H2 | C2 | H2A | 112.2° | 109.4° |
| H1 | C1 | H1A | 109.8° | 109.5° |
| HAH | CAH | HAHA | 109.0° | 109.4° |
| HAF | CAF | HAFA | 109.7° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C3 | C2 | C1 | H2 | 120.0° | 120.0° |
| C3 | C2 | C1 | H2A | 118.5° | 120.0° |
| C3 | C2 | C1 | CAH | 138.8° | 180.0° |
| C2 | C3 | H3 | H3A | 120.0° | 120.0° |
| C2 | C3 | H3 | H3B | 120.0° | 120.0° |
| C2 | C3 | H3A | H3B | 120.0° | 120.1° |
| C3 | C2 | H2 | H2A | 118.5° | 120.0° |
| C3 | C2 | C1 | H1 | 101.2° | 60.0° |
| C3 | C2 | C1 | H1A | 18.9° | 60.0° |
| C2 | C1 | CAH | H1 | 120.0° | 119.9° |
| C2 | C1 | CAH | H1A | 119.8° | 120.0° |
| C2 | C1 | CAH | CAG | 87.9° | 180.0° |
| C1 | C2 | C3 | H3 | 74.1° | 60.0° |
| C1 | C2 | C3 | H3A | 165.9° | 60.0° |
| C1 | C2 | C3 | H3B | 46.0° | 180.0° |
| C1 | C2 | H2 | H2A | 118.6° | 120.0° |
| C2 | C1 | H1 | H1A | 119.8° | 120.0° |
| C2 | C1 | CAH | HAH | 32.1° | 60.0° |
| C2 | C1 | CAH | HAHA | 151.9° | 59.9° |
| C1 | CAH | CAG | HAH | 120.0° | 120.0° |
| C1 | CAH | CAG | HAHA | 120.3° | 120.0° |
| C1 | CAH | CAG | OAN | 48.0° | 0.0° |
| C1 | CAH | CAG | NAI | 131.1° | 179.9° |
| CAH | C1 | C2 | H2 | 18.8° | 60.0° |
| CAH | C1 | C2 | H2A | 102.7° | 59.9° |
| CAH | C1 | H1 | H1A | 119.8° | 120.0° |
| C1 | CAH | HAH | HAHA | 120.3° | 119.9° |
| CAH | CAG | OAN | NAI | 179.1° | 179.9° |
| CAH | CAG | NAI | CAB | 179.8° | 180.0° |
| CAG | CAH | C1 | H1 | 152.1° | 60.0° |
| CAG | CAH | C1 | H1A | 32.0° | 60.0° |
| CAG | CAH | HAH | HAHA | 120.2° | 120.0° |
| CAH | CAG | NAI | HNAI | 0.2° | 0.0° |
| OAN | CAG | NAI | CAB | 0.7° | 0.1° |
| OAN | CAG | CAH | HAH | 168.0° | 120.0° |
| OAN | CAG | CAH | HAHA | 72.2° | 120.0° |
| OAN | CAG | NAI | HNAI | 179.3° | 180.0° |
| CAG | NAI | CAB | HNAI | 180.0° | 179.9° |
| CAG | NAI | CAB | CAC | 105.6° | 155.0° |
| CAG | NAI | CAB | CAA | 124.6° | 86.3° |
| NAI | CAG | CAH | HAH | 11.2° | 60.0° |
| NAI | CAG | CAH | HAHA | 108.6° | 60.0° |
| CAG | NAI | CAB | HAB | 9.2° | 34.4° |
| NAI | CAB | CAC | CAA | 129.5° | 119.7° |
| NAI | CAB | CAC | HAB | 115.1° | 120.6° |
| NAI | CAB | CAA | HAB | 115.3° | 120.6° |
| NAI | CAB | CAC | OAJ | 67.8° | 68.4° |
| NAI | CAB | CAC | CAD | 173.2° | 171.8° |
| NAI | CAB | CAA | OAL | 141.0° | 168.5° |
| NAI | CAB | CAA | NAY | 42.0° | 11.5° |
| NAI | CAB | CAC | HAC | 50.7° | 51.8° |
| CAC | CAB | CAA | HAB | 114.8° | 119.8° |
| CAB | CAC | OAJ | CAD | 116.4° | 119.4° |
| CAB | CAC | OAJ | HAC | 121.0° | 120.3° |
| CAB | CAC | CAD | HAC | 120.8° | 119.9° |
| CAB | CAC | CAD | OAK | 165.7° | 179.8° |
| CAB | CAC | CAD | CAE | 70.3° | 59.8° |
| CAC | CAB | CAA | OAL | 11.1° | 48.8° |
| CAC | CAB | CAA | NAY | 171.9° | 131.2° |
| CAC | CAB | NAI | HNAI | 74.4° | 25.0° |
| CAB | CAC | OAJ | HOAJ | 95.6° | 180.0° |
| CAB | CAC | CAD | HAD | 48.8° | 60.3° |
| CAA | CAB | CAC | OAJ | 162.7° | 171.9° |
| CAA | CAB | CAC | CAD | 43.7° | 52.1° |
| CAB | CAA | OAL | CAE | 1.7° | 50.9° |
| CAB | CAA | OAL | NAY | 176.7° | 180.0° |
| CAB | CAA | NAY | OAQ | 176.6° | 179.9° |
| CAA | CAB | NAI | HNAI | 55.4° | 93.8° |
| CAA | CAB | CAC | HAC | 78.8° | 67.8° |
| OAJ | CAC | CAD | HAC | 118.5° | 120.3° |
| OAJ | CAC | CAD | OAK | 45.0° | 60.4° |
| OAJ | CAC | CAD | CAE | 169.1° | 179.6° |
| OAJ | CAC | CAB | HAB | 47.3° | 52.1° |
| OAJ | CAC | CAD | HAD | 71.9° | 59.6° |
| CAC | CAD | OAK | CAE | 121.9° | 120.0° |
| CAC | CAD | OAK | HAD | 119.3° | 120.0° |
| CAC | CAD | CAE | HAD | 119.5° | 120.0° |
| CAC | CAD | CAE | CAF | 174.4° | 178.5° |
| CAC | CAD | CAE | OAL | 62.9° | 58.5° |
| CAD | CAC | CAB | HAB | 71.7° | 67.7° |
| CAD | CAC | OAJ | HOAJ | 20.8° | 60.7° |
| CAC | CAD | OAK | HOAK | 163.2° | 180.0° |
| CAC | CAD | CAE | HAE | 54.0° | 61.4° |
| OAK | CAD | CAE | HAD | 116.9° | 120.0° |
| OAK | CAD | CAE | CAF | 50.8° | 61.5° |
| OAK | CAD | CAE | OAL | 173.4° | 178.5° |
| OAK | CAD | CAC | HAC | 73.5° | 59.9° |
| OAK | CAD | CAE | HAE | 69.6° | 58.6° |
| CAD | CAE | CAF | OAL | 121.9° | 119.8° |
| CAD | CAE | CAF | HAE | 121.1° | 120.0° |
| CAD | CAE | OAL | HAE | 121.0° | 119.9° |
| CAD | CAE | CAF | OAM | 75.8° | 175.0° |
| CAD | CAE | OAL | CAA | 26.7° | 53.7° |
| CAE | CAD | CAC | HAC | 50.6° | 60.1° |
| CAE | CAD | OAK | HOAK | 74.9° | 60.1° |
| CAD | CAE | CAF | HAF | 164.2° | 55.0° |
| CAD | CAE | CAF | HAFA | 44.1° | 65.0° |
| CAF | CAE | OAL | HAE | 120.2° | 120.1° |
| CAE | CAF | OAM | HAF | 120.0° | 120.0° |
| CAE | CAF | OAM | HAFA | 119.9° | 120.0° |
| CAF | CAE | OAL | CAA | 145.4° | 173.7° |
| CAF | CAE | CAD | HAD | 66.1° | 58.5° |
| CAE | CAF | HAF | HAFA | 119.9° | 120.0° |
| CAE | CAF | OAM | HOAM | 16.2° | 180.0° |
| OAL | CAE | CAF | OAM | 46.1° | 65.2° |
| CAE | OAL | CAA | NAY | 178.5° | 129.1° |
| OAL | CAE | CAD | HAD | 56.6° | 61.5° |
| OAL | CAE | CAF | HAF | 73.9° | 174.8° |
| OAL | CAE | CAF | HAFA | 166.0° | 54.8° |
| OAM | CAF | CAE | HAE | 163.0° | 54.9° |
| OAM | CAF | HAF | HAFA | 119.9° | 120.0° |
| OAL | CAA | NAY | OAQ | 0.4° | 0.1° |
| OAL | CAA | CAB | HAB | 103.7° | 70.9° |
| CAA | OAL | CAE | HAE | 94.3° | 66.2° |
| CAA | NAY | OAQ | CAP | 151.1° | 180.0° |
| NAY | CAA | CAB | HAB | 73.3° | 109.1° |
| NAY | OAQ | CAP | OAR | 11.7° | 0.0° |
| NAY | OAQ | CAP | NAO | 168.5° | 180.0° |
| OAQ | CAP | OAR | NAO | 179.8° | 180.0° |
| OAQ | CAP | NAO | CAS | 0.0° | 175.4° |
| OAQ | CAP | NAO | HNAO | 179.9° | 4.6° |
| OAR | CAP | NAO | CAS | 179.9° | 4.6° |
| OAR | CAP | NAO | HNAO | 0.1° | 175.3° |
| CAP | NAO | CAS | HNAO | 180.0° | 180.0° |
| CAP | NAO | CAS | CAT | 70.1° | 35.1° |
| CAP | NAO | CAS | CAX | 112.4° | 145.2° |
| NAO | CAS | CAT | CAX | 177.5° | 179.7° |
| NAO | CAS | CAT | CAU | 178.9° | 180.0° |
| NAO | CAS | CAX | CAW | 179.0° | 179.8° |
| NAO | CAS | CAT | HAT | 1.1° | 0.0° |
| NAO | CAS | CAX | HAX | 1.0° | 0.0° |
| CAS | CAT | CAU | HAT | 180.0° | 180.0° |
| CAS | CAT | CAU | CAV | 0.7° | 0.0° |
| CAT | CAS | CAX | CAW | 1.5° | 0.5° |
| CAT | CAS | NAO | HNAO | 109.9° | 144.9° |
| CAS | CAT | CAU | HAU | 179.2° | 180.0° |
| CAT | CAS | CAX | HAX | 178.5° | 179.8° |
| CAX | CAS | CAT | CAU | 1.5° | 0.3° |
| CAS | CAX | CAW | CAV | 0.8° | 0.5° |
| CAS | CAX | CAW | HAX | 180.0° | 179.7° |
| CAX | CAS | NAO | HNAO | 67.6° | 34.8° |
| CAX | CAS | CAT | HAT | 178.5° | 179.7° |
| CAS | CAX | CAW | HAW | 179.1° | 179.7° |
| CAT | CAU | CAV | HAU | 180.0° | 179.9° |
| CAT | CAU | CAV | CAW | 0.1° | 0.0° |
| CAT | CAU | CAV | HAV | 179.9° | 179.9° |
| CAU | CAV | CAW | HAV | 180.0° | 179.9° |
| CAU | CAV | CAW | CAX | 0.1° | 0.3° |
| CAV | CAU | CAT | HAT | 179.3° | 180.0° |
| CAU | CAV | CAW | HAW | 179.9° | 179.9° |
| CAV | CAW | CAX | HAW | 180.0° | 179.8° |
| CAW | CAV | CAU | HAU | 179.9° | 180.0° |
| CAV | CAW | CAX | HAX | 179.2° | 179.8° |
| CAX | CAW | CAV | HAV | 179.9° | 179.8° |
| H3 | C3 | H3A | H3B | 120.0° | 119.9° |
| H3 | C3 | C2 | H2 | 165.9° | 60.0° |
| H3 | C3 | C2 | H2A | 44.5° | 180.0° |
| H3A | C3 | C2 | H2 | 45.9° | 180.0° |
| H3A | C3 | C2 | H2A | 75.5° | 60.1° |
| H3B | C3 | C2 | H2 | 74.0° | 60.0° |
| H3B | C3 | C2 | H2A | 164.5° | 60.0° |
| H2 | C2 | C1 | H1 | 138.8° | 180.0° |
| H2 | C2 | C1 | H1A | 101.1° | 60.0° |
| H2A | C2 | C1 | H1 | 17.3° | 60.0° |
| H2A | C2 | C1 | H1A | 137.4° | 180.0° |
| H1 | C1 | CAH | HAH | 87.9° | 180.0° |
| H1 | C1 | CAH | HAHA | 31.9° | 60.0° |
| H1A | C1 | CAH | HAH | 151.9° | 60.0° |
| H1A | C1 | CAH | HAHA | 88.3° | 179.9° |
| HNAI | NAI | CAB | HAB | 170.8° | 145.6° |
| HAB | CAB | CAC | HAC | 165.9° | 172.4° |
| HAC | CAC | OAJ | HOAJ | 143.4° | 59.7° |
| HAC | CAC | CAD | HAD | 169.6° | 179.9° |
| HAD | CAD | OAK | HOAK | 43.9° | 60.0° |
| HAD | CAD | CAE | HAE | 173.5° | 178.6° |
| HAE | CAE | CAF | HAF | 43.1° | 65.1° |
| HAE | CAE | CAF | HAFA | 77.0° | 175.0° |
| HAF | CAF | OAM | HOAM | 136.2° | 60.0° |
| HAFA | CAF | OAM | HOAM | 103.7° | 60.0° |
| HAT | CAT | CAU | HAU | 0.7° | 0.1° |
| HAU | CAU | CAV | HAV | 0.1° | 0.1° |
| HAV | CAV | CAW | HAW | 0.1° | 0.0° |
| HAW | CAW | CAX | HAX | 0.9° | 0.1° |
