Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OAB | CAO | doub | 1.21Å | 1.25Å | |
| CAO | OAD | sing | 1.34Å | 1.24Å | |
| CAO | CAV | sing | 1.51Å | 1.52Å | |
| CAV | CAM | sing | 1.53Å | 1.54Å | |
| CAV | OAG | sing | 1.43Å | 1.45Å | |
| CAV | CAU | sing | 1.53Å | 1.58Å | |
| CAM | CAS | sing | 1.53Å | 1.55Å | |
| CAS | OAE | sing | 1.43Å | 1.43Å | |
| CAS | CAT | sing | 1.53Å | 1.54Å | |
| CAT | OAF | sing | 1.43Å | 1.44Å | |
| CAT | CAP | sing | 1.51Å | 1.52Å | |
| CAP | OAC | doub | 1.21Å | 1.24Å | |
| CAP | CAU | sing | 1.51Å | 1.49Å | |
| CAU | CAL | sing | 1.53Å | 1.52Å | |
| CAL | CAQ | sing | 1.51Å | 1.54Å | |
| CAQ | CAI | sing | 1.38Å | 1.42Å | Aromatic |
| CAQ | CAH | doub | 1.38Å | 1.39Å | Aromatic |
| CAI | CAK | doub | 1.38Å | 1.40Å | Aromatic |
| CAK | CAR | sing | 1.39Å | 1.40Å | Aromatic |
| CAH | CAJ | sing | 1.38Å | 1.39Å | Aromatic |
| CAJ | CAR | doub | 1.39Å | 1.39Å | Aromatic |
| CAR | OAN | sing | 1.36Å | 1.37Å | |
| OAN | CAA | sing | 1.43Å | 1.43Å | |
| OAD | HAD | sing | 0.97Å | 0.95Å | |
| CAM | HAM1 | sing | 1.09Å | 1.10Å | |
| CAM | HAM2 | sing | 1.09Å | 1.10Å | |
| OAG | HAG | sing | 0.97Å | 0.95Å | |
| CAU | HAU | sing | 1.09Å | 1.10Å | |
| CAS | HAS | sing | 1.09Å | 1.10Å | |
| OAE | HAE | sing | 0.97Å | 0.95Å | |
| CAT | HAT | sing | 1.09Å | 1.10Å | |
| OAF | HAF | sing | 0.97Å | 0.95Å | |
| CAL | HAL1 | sing | 1.09Å | 1.10Å | |
| CAL | HAL2 | sing | 1.09Å | 1.10Å | |
| CAI | HAI | sing | 1.08Å | 1.08Å | |
| CAH | HAH | sing | 1.08Å | 1.08Å | |
| CAK | HAK | sing | 1.08Å | 1.08Å | |
| CAJ | HAJ | sing | 1.08Å | 1.08Å | |
| CAA | HAA1 | sing | 1.09Å | 1.10Å | |
| CAA | HAA2 | sing | 1.09Å | 1.10Å | |
| CAA | HAA3 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OAB | CAO | OAD | 120.8° | 120.0° |
| OAB | CAO | CAV | 123.2° | 120.0° |
| OAD | CAO | CAV | 115.9° | 120.0° |
| CAO | OAD | HAD | 109.5° | 117.0° |
| CAO | CAV | CAM | 110.4° | 109.5° |
| CAO | CAV | OAG | 102.7° | 109.5° |
| CAO | CAV | CAU | 109.5° | 109.3° |
| CAM | CAV | OAG | 104.8° | 109.4° |
| CAM | CAV | CAU | 114.6° | 109.5° |
| CAV | CAM | CAS | 110.0° | 109.7° |
| CAV | CAM | HAM1 | 109.3° | 109.7° |
| CAV | CAM | HAM2 | 109.4° | 109.3° |
| OAG | CAV | CAU | 114.1° | 109.7° |
| CAV | OAG | HAG | 109.5° | 114.0° |
| CAV | CAU | CAP | 115.3° | 108.5° |
| CAV | CAU | CAL | 112.7° | 109.6° |
| CAV | CAU | HAU | 109.9° | 109.8° |
| CAM | CAS | OAE | 107.3° | 109.5° |
| CAM | CAS | CAT | 112.1° | 109.4° |
| CAS | CAM | HAM1 | 109.4° | 109.4° |
| CAS | CAM | HAM2 | 109.3° | 109.4° |
| CAM | CAS | HAS | 108.1° | 109.4° |
| OAE | CAS | CAT | 111.4° | 109.5° |
| OAE | CAS | HAS | 109.7° | 109.5° |
| CAS | OAE | HAE | 109.5° | 114.0° |
| CAS | CAT | OAF | 114.0° | 109.7° |
| CAS | CAT | CAP | 111.4° | 108.5° |
| CAT | CAS | HAS | 108.2° | 109.5° |
| CAS | CAT | HAT | 106.9° | 109.8° |
| OAF | CAT | CAP | 108.8° | 109.6° |
| OAF | CAT | HAT | 108.2° | 109.7° |
| CAT | OAF | HAF | 109.5° | 114.0° |
| CAT | CAP | OAC | 123.2° | 120.8° |
| CAT | CAP | CAU | 117.0° | 118.3° |
| CAP | CAT | HAT | 107.2° | 109.6° |
| OAC | CAP | CAU | 119.8° | 120.9° |
| CAP | CAU | CAL | 96.6° | 109.6° |
| CAP | CAU | HAU | 111.1° | 109.6° |
| CAU | CAL | CAQ | 121.1° | 109.5° |
| CAL | CAU | HAU | 110.6° | 109.6° |
| CAU | CAL | HAL1 | 106.5° | 109.5° |
| CAU | CAL | HAL2 | 106.5° | 109.5° |
| CAL | CAQ | CAI | 124.5° | 119.9° |
| CAL | CAQ | CAH | 117.4° | 119.9° |
| CAQ | CAL | HAL1 | 106.5° | 109.4° |
| CAQ | CAL | HAL2 | 106.5° | 109.4° |
| CAI | CAQ | CAH | 118.0° | 120.1° |
| CAQ | CAI | CAK | 121.0° | 120.1° |
| CAQ | CAI | HAI | 119.5° | 120.0° |
| CAQ | CAH | CAJ | 121.6° | 120.1° |
| CAQ | CAH | HAH | 119.2° | 120.0° |
| CAI | CAK | CAR | 118.7° | 120.0° |
| CAK | CAI | HAI | 119.5° | 120.0° |
| CAI | CAK | HAK | 120.6° | 120.0° |
| CAK | CAR | CAJ | 120.7° | 119.8° |
| CAK | CAR | OAN | 122.2° | 120.1° |
| CAR | CAK | HAK | 120.7° | 120.0° |
| CAH | CAJ | CAR | 120.0° | 120.0° |
| CAJ | CAH | HAH | 119.2° | 120.0° |
| CAH | CAJ | HAJ | 120.0° | 120.0° |
| CAJ | CAR | OAN | 117.1° | 120.1° |
| CAR | CAJ | HAJ | 120.0° | 120.0° |
| CAR | OAN | CAA | 117.7° | 117.0° |
| OAN | CAA | HAA1 | 109.5° | 109.5° |
| OAN | CAA | HAA2 | 109.4° | 109.5° |
| OAN | CAA | HAA3 | 109.5° | 109.5° |
| HAM1 | CAM | HAM2 | 109.5° | 109.4° |
| HAL1 | CAL | HAL2 | 109.4° | 109.4° |
| HAA1 | CAA | HAA2 | 109.5° | 109.4° |
| HAA1 | CAA | HAA3 | 109.5° | 109.5° |
| HAA2 | CAA | HAA3 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OAB | CAO | OAD | CAV | 177.7° | 180.0° |
| OAB | CAO | CAV | CAM | 10.0° | 24.2° |
| OAB | CAO | CAV | OAG | 121.3° | 144.1° |
| OAB | CAO | CAV | CAU | 117.2° | 95.7° |
| OAB | CAO | OAD | HAD | 0.0° | 0.0° |
| OAD | CAO | CAV | CAM | 167.7° | 155.9° |
| OAD | CAO | CAV | OAG | 56.4° | 35.9° |
| OAD | CAO | CAV | CAU | 65.2° | 84.3° |
| CAO | CAV | CAM | OAG | 109.9° | 120.0° |
| CAO | CAV | CAM | CAU | 124.3° | 119.7° |
| CAO | CAV | OAG | CAU | 118.4° | 119.9° |
| CAO | CAV | CAM | CAS | 172.4° | 176.4° |
| CAO | CAV | CAU | CAP | 163.9° | 174.6° |
| CAO | CAV | CAU | CAL | 54.3° | 54.8° |
| CAV | CAO | OAD | HAD | 177.8° | 180.0° |
| CAO | CAV | CAM | HAM1 | 67.5° | 63.4° |
| CAO | CAV | CAM | HAM2 | 52.3° | 56.5° |
| CAO | CAV | OAG | HAG | 180.0° | 60.0° |
| CAO | CAV | CAU | HAU | 69.6° | 65.6° |
| CAM | CAV | OAG | CAU | 126.2° | 120.1° |
| CAV | CAM | CAS | HAM1 | 120.1° | 120.3° |
| CAV | CAM | CAS | HAM2 | 120.1° | 119.9° |
| CAV | CAM | CAS | OAE | 179.8° | 176.2° |
| CAV | CAM | CAS | CAT | 57.5° | 63.8° |
| CAM | CAV | CAU | CAP | 39.1° | 54.7° |
| CAM | CAV | CAU | CAL | 70.5° | 65.0° |
| CAV | CAM | HAM1 | HAM2 | 119.8° | 119.8° |
| CAM | CAV | OAG | HAG | 64.6° | 59.9° |
| CAM | CAV | CAU | HAU | 165.6° | 174.5° |
| CAV | CAM | CAS | HAS | 61.7° | 56.2° |
| OAG | CAV | CAM | CAS | 77.7° | 56.4° |
| OAG | CAV | CAU | CAP | 81.7° | 65.4° |
| OAG | CAV | CAU | CAL | 168.7° | 174.9° |
| OAG | CAV | CAM | HAM1 | 42.4° | 176.6° |
| OAG | CAV | CAM | HAM2 | 162.2° | 63.5° |
| OAG | CAV | CAU | HAU | 44.8° | 54.4° |
| CAU | CAV | CAM | CAS | 48.1° | 63.9° |
| CAV | CAU | CAP | CAT | 38.2° | 51.1° |
| CAV | CAU | CAP | OAC | 143.9° | 128.6° |
| CAV | CAU | CAP | CAL | 119.0° | 119.7° |
| CAV | CAU | CAP | HAU | 125.9° | 119.9° |
| CAV | CAU | CAL | HAU | 123.5° | 120.6° |
| CAV | CAU | CAL | CAQ | 176.2° | 175.2° |
| CAU | CAV | CAM | HAM1 | 168.2° | 56.3° |
| CAU | CAV | CAM | HAM2 | 72.0° | 176.2° |
| CAU | CAV | OAG | HAG | 61.6° | 179.9° |
| CAV | CAU | CAL | HAL1 | 62.2° | 55.2° |
| CAV | CAU | CAL | HAL2 | 54.5° | 64.8° |
| CAM | CAS | OAE | CAT | 123.1° | 120.0° |
| CAM | CAS | OAE | HAS | 117.2° | 120.0° |
| CAM | CAS | CAT | HAS | 119.1° | 119.9° |
| CAM | CAS | CAT | OAF | 180.0° | 174.3° |
| CAM | CAS | CAT | CAP | 56.4° | 54.6° |
| CAS | CAM | HAM1 | HAM2 | 119.8° | 119.8° |
| CAM | CAS | OAE | HAE | 180.0° | 180.0° |
| CAM | CAS | CAT | HAT | 60.5° | 65.2° |
| OAE | CAS | CAT | HAS | 120.6° | 120.1° |
| OAE | CAS | CAT | OAF | 59.7° | 65.7° |
| OAE | CAS | CAT | CAP | 176.7° | 174.6° |
| OAE | CAS | CAM | HAM1 | 59.8° | 63.4° |
| OAE | CAS | CAM | HAM2 | 60.1° | 56.3° |
| OAE | CAS | CAT | HAT | 59.8° | 54.8° |
| CAS | CAT | OAF | CAP | 125.0° | 119.1° |
| CAS | CAT | OAF | HAT | 118.8° | 120.6° |
| CAS | CAT | CAP | HAT | 116.7° | 119.9° |
| CAS | CAT | CAP | OAC | 135.5° | 128.7° |
| CAS | CAT | CAP | CAU | 46.7° | 51.0° |
| CAT | CAS | CAM | HAM1 | 177.5° | 56.6° |
| CAT | CAS | CAM | HAM2 | 62.6° | 176.4° |
| CAT | CAS | OAE | HAE | 56.9° | 60.0° |
| CAS | CAT | OAF | HAF | 128.8° | 179.1° |
| OAF | CAT | CAP | HAT | 116.8° | 120.4° |
| OAF | CAT | CAP | OAC | 9.0° | 8.9° |
| OAF | CAT | CAP | CAU | 173.1° | 170.8° |
| OAF | CAT | CAS | HAS | 60.9° | 54.4° |
| CAT | CAP | OAC | CAU | 177.8° | 179.7° |
| CAT | CAP | CAU | CAL | 80.8° | 68.6° |
| CAT | CAP | CAU | HAU | 164.1° | 171.0° |
| CAP | CAT | CAS | HAS | 62.7° | 65.4° |
| CAP | CAT | OAF | HAF | 3.8° | 60.0° |
| OAC | CAP | CAU | CAL | 97.1° | 111.6° |
| OAC | CAP | CAU | HAU | 18.0° | 8.7° |
| OAC | CAP | CAT | HAT | 107.8° | 111.5° |
| CAP | CAU | CAL | HAU | 115.5° | 120.4° |
| CAP | CAU | CAL | CAQ | 62.8° | 65.7° |
| CAU | CAP | CAT | HAT | 70.0° | 68.8° |
| CAP | CAU | CAL | HAL1 | 58.8° | 174.3° |
| CAP | CAU | CAL | HAL2 | 175.5° | 54.3° |
| CAU | CAL | CAQ | HAL1 | 121.6° | 120.1° |
| CAU | CAL | CAQ | HAL2 | 121.7° | 120.0° |
| CAU | CAL | CAQ | CAI | 91.6° | 89.9° |
| CAU | CAL | CAQ | CAH | 93.0° | 89.7° |
| CAU | CAL | HAL1 | HAL2 | 114.7° | 120.1° |
| CAL | CAQ | CAI | CAH | 175.4° | 179.7° |
| CAL | CAQ | CAI | CAK | 176.8° | 180.0° |
| CAL | CAQ | CAH | CAJ | 177.2° | 180.0° |
| CAQ | CAL | CAU | HAU | 52.7° | 54.7° |
| CAQ | CAL | HAL1 | HAL2 | 114.8° | 119.9° |
| CAL | CAQ | CAI | HAI | 3.2° | 0.0° |
| CAL | CAQ | CAH | HAH | 2.8° | 0.0° |
| CAQ | CAI | CAK | HAI | 180.0° | 180.0° |
| CAQ | CAI | CAK | CAR | 0.8° | 0.0° |
| CAI | CAQ | CAH | CAJ | 1.5° | 0.3° |
| CAI | CAQ | CAL | HAL1 | 30.1° | 150.0° |
| CAI | CAQ | CAL | HAL2 | 146.8° | 30.1° |
| CAI | CAQ | CAH | HAH | 178.5° | 179.7° |
| CAQ | CAI | CAK | HAK | 179.2° | 179.9° |
| CAH | CAQ | CAI | CAK | 1.4° | 0.3° |
| CAQ | CAH | CAJ | HAH | 180.0° | 180.0° |
| CAQ | CAH | CAJ | CAR | 1.1° | 0.0° |
| CAH | CAQ | CAL | HAL1 | 145.4° | 30.3° |
| CAH | CAQ | CAL | HAL2 | 28.7° | 150.2° |
| CAH | CAQ | CAI | HAI | 178.6° | 179.7° |
| CAQ | CAH | CAJ | HAJ | 178.9° | 180.0° |
| CAI | CAK | CAR | HAK | 180.0° | 180.0° |
| CAI | CAK | CAR | CAJ | 0.4° | 0.3° |
| CAI | CAK | CAR | OAN | 179.2° | 180.0° |
| CAK | CAR | CAJ | CAH | 0.5° | 0.3° |
| CAK | CAR | CAJ | OAN | 179.6° | 179.7° |
| CAK | CAR | OAN | CAA | 127.8° | 180.0° |
| CAR | CAK | CAI | HAI | 179.2° | 180.0° |
| CAK | CAR | CAJ | HAJ | 179.5° | 179.8° |
| CAH | CAJ | CAR | HAJ | 180.0° | 180.0° |
| CAH | CAJ | CAR | OAN | 179.1° | 180.0° |
| CAJ | CAR | OAN | CAA | 51.7° | 0.3° |
| CAR | CAJ | CAH | HAH | 178.9° | 180.0° |
| CAJ | CAR | CAK | HAK | 179.6° | 179.8° |
| OAN | CAR | CAK | HAK | 0.8° | 0.1° |
| OAN | CAR | CAJ | HAJ | 0.9° | 0.0° |
| CAR | OAN | CAA | HAA1 | 180.0° | 60.0° |
| CAR | OAN | CAA | HAA2 | 60.0° | 60.0° |
| CAR | OAN | CAA | HAA3 | 60.0° | 180.0° |
| OAN | CAA | HAA1 | HAA2 | 120.0° | 120.0° |
| OAN | CAA | HAA1 | HAA3 | 120.0° | 120.0° |
| OAN | CAA | HAA2 | HAA3 | 120.0° | 120.0° |
| HAM1 | CAM | CAS | HAS | 58.4° | 176.5° |
| HAM2 | CAM | CAS | HAS | 178.3° | 63.7° |
| HAU | CAU | CAL | HAL1 | 174.3° | 65.3° |
| HAU | CAU | CAL | HAL2 | 68.9° | 174.6° |
| HAS | CAS | OAE | HAE | 62.8° | 60.0° |
| HAS | CAS | CAT | HAT | 179.6° | 174.9° |
| HAT | CAT | OAF | HAF | 112.4° | 60.4° |
| HAI | CAI | CAK | HAK | 0.8° | 0.1° |
| HAH | CAH | CAJ | HAJ | 1.1° | 0.1° |
| HAA1 | CAA | HAA2 | HAA3 | 120.0° | 119.9° |






