VAU
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OAE | CAP | sing | 1.43Å | 1.37Å | |
| OAD | CAO | sing | 1.43Å | 1.46Å | |
| CAP | CAR | sing | 1.53Å | 1.51Å | |
| CAP | CAO | sing | 1.53Å | 1.50Å | |
| CAJ | CAR | sing | 1.53Å | 1.50Å | |
| OAG | CAR | sing | 1.43Å | 1.36Å | |
| CAR | CAL | sing | 1.53Å | 1.50Å | |
| CAO | CAK | sing | 1.53Å | 1.58Å | |
| CAL | CAQ | sing | 1.53Å | 1.47Å | |
| CAK | CAQ | sing | 1.53Å | 1.58Å | |
| OAF | CAQ | sing | 1.43Å | 1.40Å | |
| CAQ | CAN | sing | 1.51Å | 1.49Å | |
| CAN | OAB | doub | 1.21Å | 1.20Å | |
| CAN | OAC | sing | 1.34Å | 1.22Å | |
| CAJ | H1 | sing | 1.09Å | 1.10Å | |
| CAJ | H2 | sing | 1.09Å | 1.10Å | |
| OAG | H3 | sing | 0.97Å | 0.95Å | |
| CAL | H4 | sing | 1.09Å | 1.10Å | |
| CAL | H5 | sing | 1.09Å | 1.10Å | |
| OAC | H6 | sing | 0.97Å | 0.95Å | |
| OAF | H7 | sing | 0.97Å | 0.95Å | |
| CAK | H8 | sing | 1.09Å | 1.10Å | |
| CAK | H9 | sing | 1.09Å | 1.10Å | |
| CAO | H10 | sing | 1.09Å | 1.10Å | |
| OAD | H11 | sing | 0.97Å | 0.95Å | |
| CAP | H12 | sing | 1.09Å | 1.10Å | |
| OAE | H13 | sing | 0.97Å | 0.95Å | |
| CAJ | H14 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OAE | CAP | CAR | 110.6° | 109.5° |
| OAE | CAP | CAO | 109.1° | 109.5° |
| OAE | CAP | H12 | 109.4° | 109.5° |
| CAP | OAE | H13 | 109.5° | 114.0° |
| OAD | CAO | CAP | 107.6° | 109.4° |
| OAD | CAO | CAK | 112.1° | 109.5° |
| OAD | CAO | H10 | 110.9° | 109.4° |
| CAO | OAD | H11 | 109.5° | 114.0° |
| CAR | CAP | CAO | 112.5° | 109.4° |
| CAP | CAR | CAJ | 107.8° | 109.5° |
| CAP | CAR | OAG | 113.3° | 109.5° |
| CAP | CAR | CAL | 117.1° | 109.5° |
| CAR | CAP | H12 | 107.5° | 109.5° |
| CAP | CAO | CAK | 106.5° | 109.5° |
| CAP | CAO | H10 | 110.4° | 109.5° |
| CAO | CAP | H12 | 107.7° | 109.5° |
| CAJ | CAR | OAG | 111.2° | 109.4° |
| CAJ | CAR | CAL | 107.8° | 109.4° |
| CAR | CAJ | H1 | 109.5° | 109.6° |
| CAR | CAJ | H2 | 109.5° | 109.4° |
| CAR | CAJ | H14 | 109.5° | 109.5° |
| OAG | CAR | CAL | 99.4° | 109.4° |
| CAR | OAG | H3 | 109.5° | 113.9° |
| CAR | CAL | CAQ | 119.9° | 109.5° |
| CAR | CAL | H4 | 106.8° | 109.5° |
| CAR | CAL | H5 | 106.8° | 109.5° |
| CAO | CAK | CAQ | 112.8° | 109.5° |
| CAO | CAK | H8 | 108.6° | 109.4° |
| CAO | CAK | H9 | 108.6° | 109.5° |
| CAK | CAO | H10 | 109.3° | 109.5° |
| CAL | CAQ | CAK | 110.9° | 109.5° |
| CAL | CAQ | OAF | 100.3° | 109.4° |
| CAL | CAQ | CAN | 115.4° | 109.5° |
| CAQ | CAL | H4 | 106.8° | 109.4° |
| CAQ | CAL | H5 | 106.8° | 109.5° |
| CAK | CAQ | OAF | 112.7° | 109.5° |
| CAK | CAQ | CAN | 110.6° | 109.5° |
| CAQ | CAK | H8 | 108.6° | 109.4° |
| CAQ | CAK | H9 | 108.6° | 109.5° |
| OAF | CAQ | CAN | 106.6° | 109.5° |
| CAQ | OAF | H7 | 109.5° | 114.0° |
| CAQ | CAN | OAB | 116.9° | 120.0° |
| CAQ | CAN | OAC | 113.5° | 120.0° |
| OAB | CAN | OAC | 129.2° | 120.0° |
| CAN | OAC | H6 | 109.5° | 117.0° |
| H1 | CAJ | H2 | 109.5° | 109.5° |
| H1 | CAJ | H14 | 109.4° | 109.5° |
| H2 | CAJ | H14 | 109.4° | 109.4° |
| H4 | CAL | H5 | 109.5° | 109.5° |
| H8 | CAK | H9 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OAE | CAP | CAO | OAD | 58.1° | 60.0° |
| OAE | CAP | CAR | CAO | 122.3° | 120.0° |
| OAE | CAP | CAR | H12 | 119.4° | 120.0° |
| OAE | CAP | CAO | H12 | 118.6° | 120.0° |
| OAE | CAP | CAR | CAJ | 71.1° | 59.9° |
| OAE | CAP | CAR | OAG | 52.3° | 60.0° |
| OAE | CAP | CAR | CAL | 167.2° | 180.0° |
| OAE | CAP | CAO | CAK | 178.4° | 180.0° |
| OAE | CAP | CAO | H10 | 63.1° | 60.0° |
| OAD | CAO | CAP | CAR | 178.8° | 180.0° |
| OAD | CAO | CAP | CAK | 120.3° | 120.0° |
| OAD | CAO | CAP | H10 | 121.2° | 119.9° |
| OAD | CAO | CAK | H10 | 123.4° | 120.0° |
| OAD | CAO | CAK | CAQ | 179.5° | 180.0° |
| OAD | CAO | CAK | H8 | 59.0° | 60.1° |
| OAD | CAO | CAK | H9 | 60.0° | 60.0° |
| OAD | CAO | CAP | H12 | 60.5° | 60.0° |
| CAR | CAP | CAO | H12 | 118.3° | 120.0° |
| CAP | CAR | CAJ | OAG | 124.7° | 120.0° |
| CAP | CAR | CAJ | CAL | 127.3° | 120.1° |
| CAP | CAR | OAG | CAL | 125.1° | 120.0° |
| CAR | CAP | CAO | CAK | 58.5° | 60.0° |
| CAP | CAR | CAL | CAQ | 31.5° | 60.0° |
| CAP | CAR | CAJ | H1 | 180.0° | 180.0° |
| CAP | CAR | CAJ | H2 | 60.0° | 59.9° |
| CAP | CAR | OAG | H3 | 180.0° | 60.0° |
| CAP | CAR | CAL | H4 | 153.0° | 179.9° |
| CAP | CAR | CAL | H5 | 89.9° | 60.0° |
| CAR | CAP | CAO | H10 | 60.1° | 60.1° |
| CAR | CAP | OAE | H13 | 180.0° | 180.0° |
| CAP | CAR | CAJ | H14 | 60.0° | 60.0° |
| CAO | CAP | CAR | CAJ | 166.6° | 180.0° |
| CAO | CAP | CAR | OAG | 70.0° | 60.0° |
| CAO | CAP | CAR | CAL | 44.9° | 60.0° |
| CAP | CAO | CAK | H10 | 119.2° | 120.1° |
| CAP | CAO | CAK | CAQ | 62.1° | 60.1° |
| CAP | CAO | CAK | H8 | 58.4° | 180.0° |
| CAP | CAO | CAK | H9 | 177.4° | 60.0° |
| CAP | CAO | OAD | H11 | 180.0° | 180.0° |
| CAO | CAP | OAE | H13 | 55.8° | 60.0° |
| CAJ | CAR | OAG | CAL | 113.4° | 119.9° |
| CAJ | CAR | CAL | CAQ | 153.2° | 180.0° |
| CAR | CAJ | H1 | H2 | 120.0° | 120.0° |
| CAR | CAJ | H1 | H14 | 120.0° | 120.0° |
| CAR | CAJ | H2 | H14 | 120.0° | 119.9° |
| CAJ | CAR | OAG | H3 | 58.5° | 60.0° |
| CAJ | CAR | CAL | H4 | 85.4° | 60.0° |
| CAJ | CAR | CAL | H5 | 31.7° | 60.1° |
| CAJ | CAR | CAP | H12 | 48.2° | 60.0° |
| OAG | CAR | CAL | CAQ | 90.8° | 60.0° |
| OAG | CAR | CAJ | H1 | 55.3° | 60.0° |
| OAG | CAR | CAJ | H2 | 64.7° | 60.1° |
| OAG | CAR | CAL | H4 | 30.6° | 59.9° |
| OAG | CAR | CAL | H5 | 147.7° | 180.0° |
| OAG | CAR | CAP | H12 | 171.7° | 180.0° |
| OAG | CAR | CAJ | H14 | 175.3° | 180.0° |
| CAR | CAL | CAQ | H4 | 121.5° | 120.0° |
| CAR | CAL | CAQ | H5 | 121.5° | 120.0° |
| CAR | CAL | CAQ | CAK | 32.6° | 60.0° |
| CAR | CAL | CAQ | OAF | 86.7° | 60.0° |
| CAR | CAL | CAQ | CAN | 159.3° | 180.0° |
| CAL | CAR | CAJ | H1 | 52.7° | 59.9° |
| CAL | CAR | CAJ | H2 | 172.7° | 180.0° |
| CAL | CAR | OAG | H3 | 54.9° | 180.0° |
| CAR | CAL | H4 | H5 | 115.3° | 120.0° |
| CAL | CAR | CAP | H12 | 73.4° | 60.0° |
| CAL | CAR | CAJ | H14 | 67.3° | 60.1° |
| CAO | CAK | CAQ | CAL | 48.5° | 60.0° |
| CAO | CAK | CAQ | H8 | 120.5° | 119.9° |
| CAO | CAK | CAQ | H9 | 120.5° | 120.0° |
| CAO | CAK | CAQ | OAF | 63.0° | 59.9° |
| CAO | CAK | CAQ | CAN | 177.8° | 180.0° |
| CAO | CAK | H8 | H9 | 118.5° | 120.0° |
| CAK | CAO | OAD | H11 | 63.2° | 60.0° |
| CAK | CAO | CAP | H12 | 59.8° | 60.0° |
| CAL | CAQ | CAK | OAF | 111.6° | 120.0° |
| CAL | CAQ | CAK | CAN | 129.3° | 120.0° |
| CAL | CAQ | OAF | CAN | 120.6° | 120.0° |
| CAL | CAQ | CAN | OAB | 91.8° | 25.0° |
| CAL | CAQ | CAN | OAC | 94.8° | 155.0° |
| CAQ | CAL | H4 | H5 | 115.3° | 120.0° |
| CAL | CAQ | OAF | H7 | 180.0° | 180.0° |
| CAL | CAQ | CAK | H8 | 72.0° | 179.9° |
| CAL | CAQ | CAK | H9 | 169.0° | 60.0° |
| CAK | CAQ | OAF | CAN | 121.4° | 120.0° |
| CAK | CAQ | CAN | OAB | 35.1° | 95.0° |
| CAK | CAQ | CAN | OAC | 138.3° | 85.1° |
| CAK | CAQ | CAL | H4 | 154.1° | 180.0° |
| CAK | CAQ | CAL | H5 | 88.9° | 60.0° |
| CAK | CAQ | OAF | H7 | 62.0° | 60.0° |
| CAQ | CAK | H8 | H9 | 118.4° | 120.0° |
| CAQ | CAK | CAO | H10 | 57.1° | 60.0° |
| OAF | CAQ | CAN | OAB | 157.9° | 145.0° |
| OAF | CAQ | CAN | OAC | 15.5° | 35.0° |
| OAF | CAQ | CAL | H4 | 34.7° | 60.0° |
| OAF | CAQ | CAL | H5 | 151.8° | 180.0° |
| OAF | CAQ | CAK | H8 | 176.4° | 60.0° |
| OAF | CAQ | CAK | H9 | 57.5° | 180.0° |
| CAQ | CAN | OAB | OAC | 172.2° | 179.9° |
| CAN | CAQ | CAL | H4 | 79.3° | 60.0° |
| CAN | CAQ | CAL | H5 | 37.8° | 60.0° |
| CAQ | CAN | OAC | H6 | 172.5° | 180.0° |
| CAN | CAQ | OAF | H7 | 59.4° | 60.0° |
| CAN | CAQ | CAK | H8 | 57.3° | 60.1° |
| CAN | CAQ | CAK | H9 | 61.7° | 60.0° |
| OAB | CAN | OAC | H6 | 0.0° | 0.0° |
| H1 | CAJ | H2 | H14 | 119.9° | 120.0° |
| H8 | CAK | CAO | H10 | 177.7° | 59.9° |
| H9 | CAK | CAO | H10 | 63.3° | 179.9° |
| H10 | CAO | OAD | H11 | 59.2° | 60.0° |
| H10 | CAO | CAP | H12 | 178.3° | 180.0° |
| H12 | CAP | OAE | H13 | 61.8° | 60.0° |
