VH2
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CBA | CAP | sing | 1.41Å | 1.42Å | Aromatic |
| CBA | CAZ | doub | 1.42Å | 1.42Å | Aromatic |
| CBA | CAW | sing | 1.40Å | 1.42Å | Aromatic |
| CAP | CAG | doub | 1.36Å | 1.41Å | Aromatic |
| CAG | CAF | sing | 1.39Å | 1.40Å | Aromatic |
| CAF | CAN | doub | 1.36Å | 1.40Å | Aromatic |
| CAN | CAZ | sing | 1.41Å | 1.40Å | Aromatic |
| CAZ | CAO | sing | 1.40Å | 1.40Å | Aromatic |
| CAO | CAH | doub | 1.36Å | 1.40Å | Aromatic |
| CAH | CAK | sing | 1.39Å | 1.39Å | Aromatic |
| CAK | CAW | doub | 1.36Å | 1.39Å | Aromatic |
| CAW | SBB | sing | 1.76Å | 1.75Å | |
| SBB | OAB | doub | 1.42Å | 1.47Å | |
| SBB | OAC | doub | 1.42Å | 1.52Å | |
| SBB | NAR | sing | 1.66Å | 1.64Å | |
| NAR | CAV | sing | 1.39Å | 1.28Å | |
| CAV | SAS | sing | 1.71Å | 1.73Å | Aromatic |
| CAV | NAQ | doub | 1.30Å | 1.33Å | Aromatic |
| SAS | CAY | sing | 1.76Å | 1.75Å | Aromatic |
| NAQ | CAX | sing | 1.32Å | 1.33Å | Aromatic |
| CAX | OAA | sing | 1.36Å | 1.24Å | |
| CAX | CAY | doub | 1.34Å | 1.40Å | Aromatic |
| CAY | CAE | sing | 1.51Å | 1.42Å | |
| CAE | CAU | sing | 1.51Å | 1.39Å | |
| CAU | CAL | sing | 1.38Å | 1.39Å | Aromatic |
| CAU | CAM | doub | 1.38Å | 1.39Å | Aromatic |
| CAL | CAI | doub | 1.38Å | 1.40Å | Aromatic |
| CAI | CAT | sing | 1.38Å | 1.40Å | Aromatic |
| CAT | BR | sing | 1.89Å | 1.93Å | |
| CAT | CAJ | doub | 1.38Å | 1.35Å | Aromatic |
| CAJ | CAM | sing | 1.38Å | 1.38Å | Aromatic |
| CAP | HAP | sing | 1.08Å | 1.08Å | |
| CAG | HAG | sing | 1.08Å | 1.08Å | |
| CAF | HAF | sing | 1.08Å | 1.08Å | |
| CAN | HAN | sing | 1.08Å | 1.08Å | |
| CAO | HAO | sing | 1.08Å | 1.08Å | |
| CAH | HAH | sing | 1.08Å | 1.08Å | |
| CAK | HAK | sing | 1.08Å | 1.08Å | |
| NAR | HAR | sing | 0.97Å | 1.00Å | |
| OAA | HAA | sing | 0.97Å | 0.95Å | |
| CAE | HAE1 | sing | 1.09Å | 1.10Å | |
| CAE | HAE2 | sing | 1.09Å | 1.10Å | |
| CAL | HAL | sing | 1.08Å | 1.08Å | |
| CAM | HAM | sing | 1.08Å | 1.08Å | |
| CAI | HAI | sing | 1.08Å | 1.08Å | |
| CAJ | HAJ | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAP | CBA | CAZ | 118.4° | 119.4° |
| CAP | CBA | CAW | 124.1° | 121.3° |
| CBA | CAP | CAG | 123.7° | 119.7° |
| CBA | CAP | HAP | 118.1° | 120.1° |
| CAZ | CBA | CAW | 117.4° | 119.4° |
| CBA | CAZ | CAN | 117.9° | 119.4° |
| CBA | CAZ | CAO | 120.3° | 119.4° |
| CBA | CAW | CAK | 121.5° | 119.6° |
| CBA | CAW | SBB | 123.3° | 120.2° |
| CAP | CAG | CAF | 116.0° | 121.0° |
| CAG | CAP | HAP | 118.2° | 120.2° |
| CAP | CAG | HAG | 122.0° | 119.5° |
| CAG | CAF | CAN | 121.5° | 121.0° |
| CAF | CAG | HAG | 122.0° | 119.4° |
| CAG | CAF | HAF | 119.2° | 119.5° |
| CAF | CAN | CAZ | 122.3° | 119.7° |
| CAN | CAF | HAF | 119.3° | 119.5° |
| CAF | CAN | HAN | 118.9° | 120.2° |
| CAN | CAZ | CAO | 121.6° | 121.3° |
| CAZ | CAN | HAN | 118.8° | 120.2° |
| CAZ | CAO | CAH | 121.1° | 119.6° |
| CAZ | CAO | HAO | 119.4° | 120.2° |
| CAO | CAH | CAK | 119.4° | 121.0° |
| CAH | CAO | HAO | 119.5° | 120.1° |
| CAO | CAH | HAH | 120.3° | 119.5° |
| CAH | CAK | CAW | 120.2° | 121.0° |
| CAK | CAH | HAH | 120.3° | 119.6° |
| CAH | CAK | HAK | 119.9° | 119.4° |
| CAK | CAW | SBB | 115.2° | 120.2° |
| CAW | CAK | HAK | 119.9° | 119.5° |
| CAW | SBB | OAB | 105.8° | 106.4° |
| CAW | SBB | OAC | 110.8° | 106.4° |
| CAW | SBB | NAR | 108.1° | 107.2° |
| OAB | SBB | OAC | 112.1° | 123.2° |
| OAB | SBB | NAR | 109.2° | 106.4° |
| OAC | SBB | NAR | 110.6° | 106.4° |
| SBB | NAR | CAV | 123.1° | 120.0° |
| SBB | NAR | HAR | 105.1° | 120.0° |
| NAR | CAV | SAS | 126.2° | 124.9° |
| NAR | CAV | NAQ | 122.0° | 125.0° |
| CAV | NAR | HAR | 105.2° | 120.0° |
| SAS | CAV | NAQ | 111.9° | 110.2° |
| CAV | SAS | CAY | 90.9° | 90.4° |
| CAV | NAQ | CAX | 114.0° | 116.9° |
| SAS | CAY | CAX | 107.3° | 108.1° |
| SAS | CAY | CAE | 130.5° | 125.9° |
| NAQ | CAX | OAA | 120.8° | 122.7° |
| NAQ | CAX | CAY | 115.8° | 114.4° |
| OAA | CAX | CAY | 123.4° | 122.8° |
| CAX | OAA | HAA | 109.5° | 114.0° |
| CAX | CAY | CAE | 122.1° | 125.9° |
| CAY | CAE | CAU | 124.5° | 109.5° |
| CAY | CAE | HAE1 | 104.7° | 109.5° |
| CAY | CAE | HAE2 | 101.2° | 109.5° |
| CAE | CAU | CAL | 120.8° | 119.9° |
| CAE | CAU | CAM | 119.3° | 120.0° |
| CAU | CAE | HAE1 | 104.8° | 109.5° |
| CAU | CAE | HAE2 | 101.2° | 109.4° |
| CAL | CAU | CAM | 119.9° | 120.0° |
| CAU | CAL | CAI | 120.8° | 120.0° |
| CAU | CAL | HAL | 119.6° | 120.0° |
| CAU | CAM | CAJ | 119.5° | 120.0° |
| CAU | CAM | HAM | 120.3° | 119.9° |
| CAL | CAI | CAT | 116.8° | 120.0° |
| CAI | CAL | HAL | 119.6° | 120.0° |
| CAL | CAI | HAI | 121.6° | 120.0° |
| CAI | CAT | BR | 115.1° | 120.0° |
| CAI | CAT | CAJ | 122.4° | 120.0° |
| CAT | CAI | HAI | 121.6° | 120.0° |
| BR | CAT | CAJ | 122.5° | 120.0° |
| CAT | CAJ | CAM | 120.5° | 120.0° |
| CAT | CAJ | HAJ | 119.8° | 120.0° |
| CAJ | CAM | HAM | 120.3° | 120.0° |
| CAM | CAJ | HAJ | 119.7° | 120.0° |
| HAE1 | CAE | HAE2 | 122.2° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAP | CBA | CAZ | CAW | 178.7° | 179.7° |
| CBA | CAP | CAG | HAP | 180.0° | 179.9° |
| CBA | CAP | CAG | CAF | 2.1° | 0.0° |
| CAP | CBA | CAZ | CAN | 2.2° | 0.1° |
| CAP | CBA | CAZ | CAO | 178.6° | 180.0° |
| CAP | CBA | CAW | CAK | 179.2° | 179.8° |
| CAP | CBA | CAW | SBB | 2.0° | 0.1° |
| CBA | CAP | CAG | HAG | 177.9° | 179.9° |
| CAZ | CBA | CAP | CAG | 0.8° | 0.1° |
| CBA | CAZ | CAN | CAF | 4.1° | 0.2° |
| CBA | CAZ | CAN | CAO | 176.3° | 179.9° |
| CBA | CAZ | CAO | CAH | 1.6° | 0.1° |
| CAZ | CBA | CAW | CAK | 2.2° | 0.6° |
| CAZ | CBA | CAW | SBB | 179.4° | 179.8° |
| CAZ | CBA | CAP | HAP | 179.2° | 180.0° |
| CBA | CAZ | CAN | HAN | 175.9° | 180.0° |
| CBA | CAZ | CAO | HAO | 178.4° | 180.0° |
| CAW | CBA | CAP | CAG | 177.8° | 179.7° |
| CAW | CBA | CAZ | CAN | 179.1° | 179.8° |
| CAW | CBA | CAZ | CAO | 2.7° | 0.3° |
| CBA | CAW | CAK | CAH | 0.5° | 0.6° |
| CBA | CAW | CAK | SBB | 177.4° | 179.7° |
| CBA | CAW | SBB | OAB | 46.6° | 177.0° |
| CBA | CAW | SBB | OAC | 168.3° | 50.0° |
| CBA | CAW | SBB | NAR | 70.3° | 63.5° |
| CAW | CBA | CAP | HAP | 2.2° | 0.3° |
| CBA | CAW | CAK | HAK | 179.5° | 179.7° |
| CAP | CAG | CAF | HAG | 180.0° | 180.0° |
| CAP | CAG | CAF | CAN | 0.3° | 0.1° |
| CAP | CAG | CAF | HAF | 179.7° | 180.0° |
| CAG | CAF | CAN | HAF | 180.0° | 179.9° |
| CAG | CAF | CAN | CAZ | 2.9° | 0.1° |
| CAF | CAG | CAP | HAP | 177.9° | 180.0° |
| CAG | CAF | CAN | HAN | 177.1° | 180.0° |
| CAF | CAN | CAZ | HAN | 180.0° | 179.9° |
| CAF | CAN | CAZ | CAO | 179.6° | 180.0° |
| CAN | CAF | CAG | HAG | 179.8° | 179.9° |
| CAN | CAZ | CAO | CAH | 177.8° | 179.9° |
| CAZ | CAN | CAF | HAF | 177.1° | 179.9° |
| CAN | CAZ | CAO | HAO | 2.2° | 0.1° |
| CAZ | CAO | CAH | HAO | 180.0° | 179.9° |
| CAZ | CAO | CAH | CAK | 0.1° | 0.1° |
| CAO | CAZ | CAN | HAN | 0.4° | 0.1° |
| CAZ | CAO | CAH | HAH | 179.8° | 180.0° |
| CAO | CAH | CAK | HAH | 180.0° | 179.9° |
| CAO | CAH | CAK | CAW | 0.7° | 0.3° |
| CAO | CAH | CAK | HAK | 179.3° | 179.9° |
| CAH | CAK | CAW | HAK | 180.0° | 179.7° |
| CAH | CAK | CAW | SBB | 177.9° | 179.8° |
| CAK | CAH | CAO | HAO | 179.9° | 180.0° |
| CAK | CAW | SBB | OAB | 136.1° | 2.7° |
| CAK | CAW | SBB | OAC | 14.3° | 130.3° |
| CAK | CAW | SBB | NAR | 107.0° | 116.2° |
| CAW | CAK | CAH | HAH | 179.3° | 179.8° |
| CAW | SBB | OAB | OAC | 121.0° | 123.0° |
| CAW | SBB | OAB | NAR | 116.1° | 114.1° |
| CAW | SBB | OAC | NAR | 119.9° | 114.1° |
| CAW | SBB | NAR | CAV | 80.0° | 64.9° |
| SBB | CAW | CAK | HAK | 2.1° | 0.0° |
| CAW | SBB | NAR | HAR | 40.0° | 115.2° |
| OAB | SBB | OAC | NAR | 122.1° | 123.0° |
| OAB | SBB | NAR | CAV | 165.3° | 48.6° |
| OAB | SBB | NAR | HAR | 74.7° | 131.3° |
| OAC | SBB | NAR | CAV | 41.5° | 178.4° |
| OAC | SBB | NAR | HAR | 161.5° | 1.7° |
| SBB | NAR | CAV | HAR | 120.0° | 179.9° |
| SBB | NAR | CAV | SAS | 10.6° | 175.0° |
| SBB | NAR | CAV | NAQ | 169.1° | 4.6° |
| NAR | CAV | SAS | NAQ | 179.8° | 179.7° |
| NAR | CAV | SAS | CAY | 178.9° | 179.9° |
| NAR | CAV | NAQ | CAX | 179.0° | 179.9° |
| SAS | CAV | NAQ | CAX | 0.8° | 0.2° |
| CAV | SAS | CAY | CAX | 0.8° | 0.2° |
| CAV | SAS | CAY | CAE | 179.3° | 180.0° |
| SAS | CAV | NAR | HAR | 130.6° | 5.1° |
| NAQ | CAV | SAS | CAY | 0.9° | 0.3° |
| CAV | NAQ | CAX | OAA | 178.9° | 180.0° |
| CAV | NAQ | CAX | CAY | 0.2° | 0.1° |
| NAQ | CAV | NAR | HAR | 49.1° | 175.3° |
| SAS | CAY | CAX | NAQ | 0.5° | 0.1° |
| SAS | CAY | CAX | OAA | 179.5° | 179.8° |
| SAS | CAY | CAX | CAE | 178.7° | 179.8° |
| SAS | CAY | CAE | CAU | 2.1° | 90.0° |
| SAS | CAY | CAE | HAE1 | 117.9° | 30.0° |
| SAS | CAY | CAE | HAE2 | 114.2° | 150.0° |
| NAQ | CAX | OAA | CAY | 179.0° | 180.0° |
| NAQ | CAX | CAY | CAE | 179.2° | 179.9° |
| NAQ | CAX | OAA | HAA | 103.3° | 84.8° |
| OAA | CAX | CAY | CAE | 1.8° | 0.1° |
| CAX | CAY | CAE | CAU | 176.3° | 90.2° |
| CAY | CAX | OAA | HAA | 75.7° | 95.2° |
| CAX | CAY | CAE | HAE1 | 63.7° | 149.7° |
| CAX | CAY | CAE | HAE2 | 64.1° | 29.7° |
| CAY | CAE | CAU | HAE1 | 120.0° | 120.0° |
| CAY | CAE | CAU | HAE2 | 112.1° | 120.0° |
| CAY | CAE | CAU | CAL | 148.3° | 90.0° |
| CAY | CAE | CAU | CAM | 32.5° | 90.2° |
| CAY | CAE | HAE1 | HAE2 | 113.7° | 120.0° |
| CAE | CAU | CAL | CAM | 179.2° | 179.8° |
| CAE | CAU | CAL | CAI | 178.8° | 180.0° |
| CAE | CAU | CAM | CAJ | 178.9° | 179.7° |
| CAU | CAE | HAE1 | HAE2 | 113.8° | 120.0° |
| CAE | CAU | CAL | HAL | 1.3° | 0.0° |
| CAE | CAU | CAM | HAM | 1.1° | 0.1° |
| CAU | CAL | CAI | HAL | 180.0° | 179.9° |
| CAU | CAL | CAI | CAT | 2.1° | 0.0° |
| CAL | CAU | CAM | CAJ | 0.3° | 0.5° |
| CAL | CAU | CAE | HAE1 | 28.3° | 30.0° |
| CAL | CAU | CAE | HAE2 | 99.6° | 150.0° |
| CAL | CAU | CAM | HAM | 179.7° | 179.7° |
| CAU | CAL | CAI | HAI | 177.9° | 180.0° |
| CAM | CAU | CAL | CAI | 0.4° | 0.2° |
| CAU | CAM | CAJ | CAT | 2.1° | 0.6° |
| CAU | CAM | CAJ | HAM | 180.0° | 179.8° |
| CAM | CAU | CAE | HAE1 | 152.5° | 149.8° |
| CAM | CAU | CAE | HAE2 | 79.6° | 29.8° |
| CAM | CAU | CAL | HAL | 179.6° | 179.8° |
| CAU | CAM | CAJ | HAJ | 177.9° | 179.8° |
| CAL | CAI | CAT | HAI | 180.0° | 180.0° |
| CAL | CAI | CAT | BR | 178.3° | 180.0° |
| CAL | CAI | CAT | CAJ | 4.0° | 0.1° |
| CAI | CAT | BR | CAJ | 177.8° | 180.0° |
| CAI | CAT | CAJ | CAM | 4.0° | 0.3° |
| CAT | CAI | CAL | HAL | 177.8° | 180.0° |
| CAI | CAT | CAJ | HAJ | 176.0° | 180.0° |
| BR | CAT | CAJ | CAM | 178.4° | 179.7° |
| BR | CAT | CAI | HAI | 1.7° | 0.0° |
| BR | CAT | CAJ | HAJ | 1.6° | 0.0° |
| CAT | CAJ | CAM | HAJ | 180.0° | 179.7° |
| CAT | CAJ | CAM | HAM | 177.9° | 179.7° |
| CAJ | CAT | CAI | HAI | 176.0° | 180.0° |
| HAP | CAP | CAG | HAG | 2.1° | 0.0° |
| HAG | CAG | CAF | HAF | 0.3° | 0.1° |
| HAF | CAF | CAN | HAN | 2.9° | 0.0° |
| HAO | CAO | CAH | HAH | 0.2° | 0.1° |
| HAH | CAH | CAK | HAK | 0.7° | 0.0° |
| HAL | CAL | CAI | HAI | 2.1° | 0.1° |
| HAM | CAM | CAJ | HAJ | 2.1° | 0.0° |
