VH1
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAJ | CAH | sing | 1.38Å | 1.40Å | Aromatic |
| CAJ | CAR | doub | 1.38Å | 1.39Å | Aromatic |
| CAH | CAQ | doub | 1.39Å | 1.40Å | Aromatic |
| CAQ | NAA | sing | 1.40Å | 1.36Å | |
| CAQ | CAI | sing | 1.39Å | 1.40Å | Aromatic |
| CAI | CAK | doub | 1.38Å | 1.40Å | Aromatic |
| CAK | CAR | sing | 1.38Å | 1.40Å | Aromatic |
| CAR | CAP | sing | 1.51Å | 1.52Å | |
| CAP | NAZ | sing | 1.47Å | 1.47Å | |
| NAZ | CAU | sing | 1.35Å | 1.38Å | |
| NAZ | CAT | sing | 1.35Å | 1.38Å | |
| CAU | OAC | doub | 1.22Å | 1.22Å | |
| CAU | CAX | sing | 1.47Å | 1.40Å | |
| CAX | CAY | sing | 1.41Å | 1.42Å | Aromatic |
| CAX | CAO | doub | 1.39Å | 1.38Å | Aromatic |
| CAY | CAV | doub | 1.41Å | 1.41Å | Aromatic |
| CAY | CAW | sing | 1.41Å | 1.40Å | Aromatic |
| CAO | CAS | sing | 1.39Å | 1.38Å | Aromatic |
| CAS | SBA | sing | 1.76Å | 1.77Å | |
| CAS | CAN | doub | 1.37Å | 1.40Å | Aromatic |
| SBA | OAF | doub | 1.42Å | 1.40Å | |
| SBA | OAE | doub | 1.42Å | 1.48Å | |
| SBA | OAD | sing | 1.52Å | 1.49Å | |
| CAN | CAV | sing | 1.41Å | 1.40Å | Aromatic |
| CAV | CAL | sing | 1.41Å | 1.41Å | Aromatic |
| CAL | CAG | doub | 1.37Å | 1.40Å | Aromatic |
| CAG | CAM | sing | 1.39Å | 1.41Å | Aromatic |
| CAM | CAW | doub | 1.39Å | 1.42Å | Aromatic |
| CAW | CAT | sing | 1.47Å | 1.40Å | |
| CAT | OAB | doub | 1.22Å | 1.22Å | |
| CAJ | HAJ | sing | 1.08Å | 1.08Å | |
| CAH | HAH | sing | 1.08Å | 1.08Å | |
| NAA | HAA1 | sing | 0.97Å | 1.00Å | |
| NAA | HAA2 | sing | 0.97Å | 1.00Å | |
| CAI | HAI | sing | 1.08Å | 1.08Å | |
| CAK | HAK | sing | 1.08Å | 1.08Å | |
| CAP | HAP1 | sing | 1.09Å | 1.10Å | |
| CAP | HAP2 | sing | 1.09Å | 1.10Å | |
| CAO | HAO | sing | 1.08Å | 1.08Å | |
| CAN | HAN | sing | 1.08Å | 1.08Å | |
| CAL | HAL | sing | 1.08Å | 1.08Å | |
| CAG | HAG | sing | 1.08Å | 1.08Å | |
| CAM | HAM | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAH | CAJ | CAR | 119.7° | 120.0° |
| CAJ | CAH | CAQ | 120.1° | 120.0° |
| CAH | CAJ | HAJ | 120.1° | 120.0° |
| CAJ | CAH | HAH | 119.9° | 120.0° |
| CAJ | CAR | CAK | 120.5° | 120.2° |
| CAJ | CAR | CAP | 121.8° | 119.9° |
| CAR | CAJ | HAJ | 120.1° | 120.0° |
| CAH | CAQ | NAA | 119.9° | 120.1° |
| CAH | CAQ | CAI | 120.0° | 119.8° |
| CAQ | CAH | HAH | 119.9° | 120.0° |
| NAA | CAQ | CAI | 120.1° | 120.1° |
| CAQ | NAA | HAA1 | 109.5° | 120.0° |
| CAQ | NAA | HAA2 | 109.5° | 120.0° |
| CAQ | CAI | CAK | 119.8° | 120.0° |
| CAQ | CAI | HAI | 120.1° | 120.0° |
| CAI | CAK | CAR | 119.8° | 120.1° |
| CAK | CAI | HAI | 120.1° | 120.0° |
| CAI | CAK | HAK | 120.1° | 119.9° |
| CAK | CAR | CAP | 117.7° | 119.9° |
| CAR | CAK | HAK | 120.1° | 120.0° |
| CAR | CAP | NAZ | 115.5° | 109.5° |
| CAR | CAP | HAP1 | 107.5° | 109.5° |
| CAR | CAP | HAP2 | 106.1° | 109.4° |
| CAP | NAZ | CAU | 119.2° | 118.8° |
| CAP | NAZ | CAT | 118.8° | 118.8° |
| NAZ | CAP | HAP1 | 107.5° | 109.5° |
| NAZ | CAP | HAP2 | 106.1° | 109.5° |
| CAU | NAZ | CAT | 121.9° | 122.4° |
| NAZ | CAU | OAC | 116.9° | 119.8° |
| NAZ | CAU | CAX | 120.4° | 120.4° |
| NAZ | CAT | CAW | 119.5° | 120.3° |
| NAZ | CAT | OAB | 117.7° | 119.8° |
| OAC | CAU | CAX | 122.6° | 119.9° |
| CAU | CAX | CAY | 117.8° | 118.7° |
| CAU | CAX | CAO | 120.8° | 122.3° |
| CAY | CAX | CAO | 121.3° | 119.0° |
| CAX | CAY | CAV | 119.8° | 120.2° |
| CAX | CAY | CAW | 121.2° | 119.5° |
| CAX | CAO | CAS | 118.7° | 120.1° |
| CAX | CAO | HAO | 120.7° | 119.9° |
| CAV | CAY | CAW | 118.9° | 120.3° |
| CAY | CAV | CAN | 117.7° | 118.9° |
| CAY | CAV | CAL | 120.6° | 118.9° |
| CAY | CAW | CAM | 120.2° | 119.0° |
| CAY | CAW | CAT | 119.1° | 118.7° |
| CAO | CAS | SBA | 121.0° | 119.2° |
| CAO | CAS | CAN | 120.8° | 121.6° |
| CAS | CAO | HAO | 120.6° | 120.0° |
| SBA | CAS | CAN | 118.1° | 119.2° |
| CAS | SBA | OAF | 106.6° | 106.4° |
| CAS | SBA | OAE | 106.2° | 106.4° |
| CAS | SBA | OAD | 113.6° | 107.2° |
| CAS | CAN | CAV | 121.6° | 120.0° |
| CAS | CAN | HAN | 119.2° | 120.0° |
| OAF | SBA | OAE | 106.1° | 123.1° |
| OAF | SBA | OAD | 111.1° | 106.4° |
| OAE | SBA | OAD | 112.7° | 106.4° |
| CAN | CAV | CAL | 121.7° | 122.2° |
| CAV | CAN | HAN | 119.2° | 120.0° |
| CAV | CAL | CAG | 121.3° | 120.1° |
| CAV | CAL | HAL | 119.4° | 120.0° |
| CAL | CAG | CAM | 118.0° | 121.6° |
| CAG | CAL | HAL | 119.3° | 119.9° |
| CAL | CAG | HAG | 121.0° | 119.2° |
| CAG | CAM | CAW | 121.0° | 120.2° |
| CAM | CAG | HAG | 121.0° | 119.2° |
| CAG | CAM | HAM | 119.5° | 119.9° |
| CAM | CAW | CAT | 120.7° | 122.2° |
| CAW | CAM | HAM | 119.5° | 119.9° |
| CAW | CAT | OAB | 122.8° | 119.8° |
| HAA1 | NAA | HAA2 | 109.4° | 120.0° |
| HAP1 | CAP | HAP2 | 114.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAH | CAJ | CAR | HAJ | 180.0° | 179.7° |
| CAJ | CAH | CAQ | HAH | 180.0° | 180.0° |
| CAJ | CAH | CAQ | NAA | 179.2° | 180.0° |
| CAJ | CAH | CAQ | CAI | 1.0° | 0.0° |
| CAH | CAJ | CAR | CAK | 1.0° | 0.0° |
| CAH | CAJ | CAR | CAP | 179.1° | 180.0° |
| CAR | CAJ | CAH | CAQ | 1.6° | 0.0° |
| CAJ | CAR | CAK | CAI | 0.2° | 0.0° |
| CAJ | CAR | CAK | CAP | 178.1° | 180.0° |
| CAJ | CAR | CAP | NAZ | 90.6° | 90.0° |
| CAR | CAJ | CAH | HAH | 178.4° | 180.0° |
| CAJ | CAR | CAK | HAK | 179.7° | 180.0° |
| CAJ | CAR | CAP | HAP1 | 29.4° | 150.0° |
| CAJ | CAR | CAP | HAP2 | 152.1° | 30.0° |
| CAH | CAQ | NAA | CAI | 179.9° | 180.0° |
| CAH | CAQ | CAI | CAK | 0.3° | 0.0° |
| CAQ | CAH | CAJ | HAJ | 178.3° | 179.7° |
| CAH | CAQ | NAA | HAA1 | 14.7° | 0.0° |
| CAH | CAQ | NAA | HAA2 | 134.7° | 180.0° |
| CAH | CAQ | CAI | HAI | 179.7° | 180.0° |
| NAA | CAQ | CAI | CAK | 179.5° | 180.0° |
| NAA | CAQ | CAH | HAH | 0.8° | 0.0° |
| CAQ | NAA | HAA1 | HAA2 | 120.0° | 180.0° |
| NAA | CAQ | CAI | HAI | 0.5° | 0.0° |
| CAQ | CAI | CAK | HAI | 180.0° | 180.0° |
| CAQ | CAI | CAK | CAR | 0.9° | 0.0° |
| CAI | CAQ | CAH | HAH | 179.1° | 180.0° |
| CAI | CAQ | NAA | HAA1 | 165.1° | 180.0° |
| CAI | CAQ | NAA | HAA2 | 45.1° | 0.1° |
| CAQ | CAI | CAK | HAK | 179.1° | 180.0° |
| CAI | CAK | CAR | HAK | 180.0° | 180.0° |
| CAI | CAK | CAR | CAP | 177.9° | 180.0° |
| CAK | CAR | CAP | NAZ | 91.3° | 90.0° |
| CAK | CAR | CAJ | HAJ | 178.9° | 179.7° |
| CAR | CAK | CAI | HAI | 179.1° | 180.0° |
| CAK | CAR | CAP | HAP1 | 148.7° | 30.0° |
| CAK | CAR | CAP | HAP2 | 25.9° | 150.0° |
| CAR | CAP | NAZ | HAP1 | 120.0° | 120.0° |
| CAR | CAP | NAZ | HAP2 | 117.2° | 119.9° |
| CAR | CAP | NAZ | CAU | 87.1° | 90.0° |
| CAR | CAP | NAZ | CAT | 96.2° | 90.2° |
| CAP | CAR | CAJ | HAJ | 0.9° | 0.3° |
| CAP | CAR | CAK | HAK | 2.2° | 0.0° |
| CAR | CAP | HAP1 | HAP2 | 117.5° | 119.9° |
| CAP | NAZ | CAU | CAT | 176.6° | 179.8° |
| CAP | NAZ | CAU | OAC | 1.3° | 0.1° |
| CAP | NAZ | CAU | CAX | 178.9° | 179.9° |
| CAP | NAZ | CAT | CAW | 179.5° | 179.8° |
| CAP | NAZ | CAT | OAB | 4.0° | 0.0° |
| NAZ | CAP | HAP1 | HAP2 | 117.5° | 120.0° |
| NAZ | CAU | OAC | CAX | 179.8° | 179.9° |
| NAZ | CAU | CAX | CAY | 1.0° | 0.1° |
| NAZ | CAU | CAX | CAO | 180.0° | 180.0° |
| CAU | NAZ | CAT | CAW | 2.9° | 0.4° |
| CAU | NAZ | CAT | OAB | 179.5° | 179.8° |
| CAU | NAZ | CAP | HAP1 | 152.9° | 30.1° |
| CAU | NAZ | CAP | HAP2 | 30.2° | 150.1° |
| CAT | NAZ | CAU | OAC | 177.9° | 179.7° |
| CAT | NAZ | CAU | CAX | 2.4° | 0.1° |
| NAZ | CAT | CAW | CAY | 2.1° | 0.5° |
| NAZ | CAT | CAW | CAM | 178.0° | 179.8° |
| NAZ | CAT | CAW | OAB | 176.4° | 179.8° |
| CAT | NAZ | CAP | HAP1 | 23.8° | 149.8° |
| CAT | NAZ | CAP | HAP2 | 146.5° | 29.7° |
| OAC | CAU | CAX | CAY | 179.2° | 180.0° |
| OAC | CAU | CAX | CAO | 0.2° | 0.1° |
| CAU | CAX | CAY | CAO | 179.0° | 179.9° |
| CAU | CAX | CAY | CAV | 179.1° | 179.9° |
| CAU | CAX | CAY | CAW | 0.3° | 0.0° |
| CAU | CAX | CAO | CAS | 179.7° | 180.0° |
| CAU | CAX | CAO | HAO | 0.3° | 0.1° |
| CAX | CAY | CAV | CAW | 179.4° | 180.0° |
| CAY | CAX | CAO | CAS | 0.7° | 0.1° |
| CAX | CAY | CAV | CAN | 0.7° | 0.0° |
| CAX | CAY | CAV | CAL | 178.8° | 180.0° |
| CAX | CAY | CAW | CAM | 179.3° | 180.0° |
| CAX | CAY | CAW | CAT | 0.8° | 0.2° |
| CAY | CAX | CAO | HAO | 179.3° | 180.0° |
| CAO | CAX | CAY | CAV | 0.1° | 0.0° |
| CAO | CAX | CAY | CAW | 179.3° | 179.9° |
| CAX | CAO | CAS | HAO | 180.0° | 179.9° |
| CAX | CAO | CAS | SBA | 178.3° | 180.0° |
| CAX | CAO | CAS | CAN | 0.5° | 0.1° |
| CAY | CAV | CAN | CAS | 0.9° | 0.0° |
| CAY | CAV | CAN | CAL | 178.1° | 180.0° |
| CAY | CAV | CAL | CAG | 1.3° | 0.1° |
| CAV | CAY | CAW | CAM | 1.3° | 0.0° |
| CAV | CAY | CAW | CAT | 178.6° | 179.8° |
| CAY | CAV | CAN | HAN | 179.1° | 180.0° |
| CAY | CAV | CAL | HAL | 178.7° | 180.0° |
| CAW | CAY | CAV | CAN | 179.9° | 180.0° |
| CAW | CAY | CAV | CAL | 1.8° | 0.0° |
| CAY | CAW | CAM | CAG | 0.4° | 0.0° |
| CAY | CAW | CAM | CAT | 179.9° | 179.8° |
| CAY | CAW | CAT | OAB | 178.5° | 179.8° |
| CAY | CAW | CAM | HAM | 179.7° | 179.9° |
| CAO | CAS | SBA | CAN | 177.9° | 180.0° |
| CAO | CAS | SBA | OAF | 100.5° | 156.4° |
| CAO | CAS | SBA | OAE | 146.6° | 23.5° |
| CAO | CAS | SBA | OAD | 22.2° | 90.1° |
| CAO | CAS | CAN | CAV | 0.3° | 0.1° |
| CAO | CAS | CAN | HAN | 179.7° | 180.0° |
| CAS | SBA | OAF | OAE | 112.9° | 123.0° |
| CAS | SBA | OAF | OAD | 124.2° | 114.1° |
| CAS | SBA | OAE | OAD | 125.0° | 114.1° |
| SBA | CAS | CAN | CAV | 177.6° | 180.0° |
| SBA | CAS | CAO | HAO | 1.7° | 0.0° |
| SBA | CAS | CAN | HAN | 2.4° | 0.0° |
| CAN | CAS | SBA | OAF | 77.3° | 23.5° |
| CAN | CAS | SBA | OAE | 35.5° | 156.4° |
| CAN | CAS | SBA | OAD | 160.0° | 90.0° |
| CAS | CAN | CAV | HAN | 180.0° | 180.0° |
| CAS | CAN | CAV | CAL | 179.0° | 180.0° |
| CAN | CAS | CAO | HAO | 179.5° | 180.0° |
| OAF | SBA | OAE | OAD | 121.8° | 122.9° |
| CAN | CAV | CAL | CAG | 179.4° | 180.0° |
| CAN | CAV | CAL | HAL | 0.7° | 0.1° |
| CAV | CAL | CAG | HAL | 180.0° | 179.9° |
| CAV | CAL | CAG | CAM | 0.3° | 0.1° |
| CAL | CAV | CAN | HAN | 1.0° | 0.0° |
| CAV | CAL | CAG | HAG | 179.7° | 180.0° |
| CAL | CAG | CAM | HAG | 180.0° | 179.9° |
| CAL | CAG | CAM | CAW | 0.2° | 0.1° |
| CAL | CAG | CAM | HAM | 179.8° | 179.9° |
| CAG | CAM | CAW | HAM | 180.0° | 179.9° |
| CAG | CAM | CAW | CAT | 179.6° | 179.8° |
| CAM | CAG | CAL | HAL | 179.7° | 180.0° |
| CAM | CAW | CAT | OAB | 1.6° | 0.0° |
| CAW | CAM | CAG | HAG | 179.8° | 180.0° |
| CAT | CAW | CAM | HAM | 0.4° | 0.3° |
| HAJ | CAJ | CAH | HAH | 1.6° | 0.3° |
| HAI | CAI | CAK | HAK | 1.0° | 0.0° |
| HAL | CAL | CAG | HAG | 0.3° | 0.1° |
| HAG | CAG | CAM | HAM | 0.2° | 0.0° |
