WH6
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAZ | CAN | doub | 1.41Å | 1.39Å | Aromatic |
| CAZ | CAY | sing | 1.42Å | 1.40Å | Aromatic |
| CAZ | CAV | sing | 1.40Å | 1.40Å | Aromatic |
| CAN | CAH | sing | 1.36Å | 1.39Å | Aromatic |
| CAN | HAN | sing | 1.08Å | 1.08Å | |
| CAH | CAG | doub | 1.39Å | 1.39Å | Aromatic |
| CAH | HAH | sing | 1.08Å | 1.08Å | |
| CAG | CAL | sing | 1.36Å | 1.39Å | Aromatic |
| CAG | HAG | sing | 1.08Å | 1.08Å | |
| CAL | CAY | doub | 1.41Å | 1.40Å | Aromatic |
| CAL | HAL | sing | 1.08Å | 1.08Å | |
| CAY | CAM | sing | 1.41Å | 1.39Å | Aromatic |
| CAM | CAI | doub | 1.36Å | 1.40Å | Aromatic |
| CAM | HAM | sing | 1.08Å | 1.08Å | |
| CAI | CAJ | sing | 1.39Å | 1.39Å | Aromatic |
| CAI | HAI | sing | 1.08Å | 1.08Å | |
| CAJ | CAV | doub | 1.36Å | 1.40Å | Aromatic |
| CAJ | HAJ | sing | 1.08Å | 1.08Å | |
| CAV | CAR | sing | 1.51Å | 1.53Å | |
| CAR | CBC | sing | 1.53Å | 1.56Å | |
| CAR | HAR | sing | 1.09Å | 1.10Å | |
| CAR | HARA | sing | 1.09Å | 1.10Å | |
| CBC | CAQ | sing | 1.53Å | 1.52Å | |
| CBC | N1 | sing | 1.46Å | 1.48Å | |
| CBC | HBC | sing | 1.09Å | 1.10Å | |
| CAQ | CAS | sing | 1.51Å | 1.51Å | |
| CAQ | HAQ | sing | 1.09Å | 1.10Å | |
| CAQ | HAQA | sing | 1.09Å | 1.10Å | |
| CAS | OAE | doub | 1.21Å | 1.25Å | |
| CAS | OAA | sing | 1.34Å | 1.25Å | |
| N1 | CAX | sing | 1.34Å | 1.35Å | |
| N1 | CAW | sing | 1.35Å | 1.34Å | |
| CAX | OAD | doub | 1.21Å | 1.24Å | |
| CAX | CBB | sing | 1.48Å | 1.40Å | |
| CBB | CAP | doub | 1.38Å | 1.40Å | Aromatic |
| CBB | CBA | sing | 1.41Å | 1.40Å | Aromatic |
| CAP | CAU | sing | 1.40Å | 1.40Å | Aromatic |
| CAP | HAP | sing | 1.08Å | 1.08Å | |
| CAU | CAT | sing | 1.48Å | 1.54Å | |
| CAU | CAK | doub | 1.40Å | 1.39Å | Aromatic |
| CAT | OAF | sing | 1.35Å | 1.25Å | |
| CAT | OAB | doub | 1.21Å | 1.24Å | |
| CAK | CAO | sing | 1.39Å | 1.39Å | Aromatic |
| CAK | HAK | sing | 1.08Å | 1.08Å | |
| CAO | CBA | doub | 1.39Å | 1.39Å | Aromatic |
| CAO | HAO | sing | 1.08Å | 1.08Å | |
| CBA | CAW | sing | 1.48Å | 1.40Å | |
| CAW | OAC | doub | 1.21Å | 1.24Å | |
| OAA | H16 | sing | 0.97Å | 0.95Å | |
| OAF | H17 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAN | CAZ | CAY | 119.4° | 119.3° |
| CAN | CAZ | CAV | 120.3° | 121.3° |
| CAZ | CAN | CAH | 120.7° | 119.6° |
| CAZ | CAN | HAN | 119.7° | 120.2° |
| CAY | CAZ | CAV | 120.3° | 119.4° |
| CAZ | CAY | CAL | 120.1° | 119.4° |
| CAZ | CAY | CAM | 120.2° | 119.3° |
| CAZ | CAV | CAJ | 119.1° | 119.6° |
| CAZ | CAV | CAR | 123.0° | 120.2° |
| CAH | CAN | HAN | 119.7° | 120.2° |
| CAN | CAH | CAG | 119.7° | 121.0° |
| CAN | CAH | HAH | 120.1° | 119.5° |
| CAG | CAH | HAH | 120.2° | 119.5° |
| CAH | CAG | CAL | 120.4° | 121.0° |
| CAH | CAG | HAG | 119.8° | 119.5° |
| CAL | CAG | HAG | 119.8° | 119.5° |
| CAG | CAL | CAY | 119.6° | 119.6° |
| CAG | CAL | HAL | 120.2° | 120.2° |
| CAY | CAL | HAL | 120.2° | 120.1° |
| CAL | CAY | CAM | 119.7° | 121.3° |
| CAY | CAM | CAI | 119.5° | 119.7° |
| CAY | CAM | HAM | 120.2° | 120.1° |
| CAI | CAM | HAM | 120.2° | 120.2° |
| CAM | CAI | CAJ | 120.3° | 121.0° |
| CAM | CAI | HAI | 119.8° | 119.5° |
| CAJ | CAI | HAI | 119.9° | 119.5° |
| CAI | CAJ | CAV | 120.5° | 121.0° |
| CAI | CAJ | HAJ | 119.7° | 119.5° |
| CAV | CAJ | HAJ | 119.7° | 119.5° |
| CAJ | CAV | CAR | 117.9° | 120.2° |
| CAV | CAR | CBC | 109.7° | 109.5° |
| CAV | CAR | HAR | 109.4° | 109.5° |
| CAV | CAR | HARA | 109.3° | 109.5° |
| CBC | CAR | HAR | 109.4° | 109.5° |
| CBC | CAR | HARA | 109.3° | 109.4° |
| CAR | CBC | CAQ | 106.8° | 109.5° |
| CAR | CBC | N1 | 105.0° | 109.5° |
| CAR | CBC | HBC | 116.2° | 109.4° |
| HAR | CAR | HARA | 109.7° | 109.5° |
| CAQ | CBC | N1 | 115.4° | 109.5° |
| CAQ | CBC | HBC | 106.0° | 109.5° |
| CBC | CAQ | CAS | 111.3° | 109.5° |
| CBC | CAQ | HAQ | 108.9° | 109.5° |
| CBC | CAQ | HAQA | 108.4° | 109.5° |
| N1 | CBC | HBC | 107.7° | 109.4° |
| CBC | N1 | CAX | 125.2° | 124.5° |
| CBC | N1 | CAW | 125.7° | 124.4° |
| CAS | CAQ | HAQ | 108.8° | 109.4° |
| CAS | CAQ | HAQA | 108.4° | 109.5° |
| CAQ | CAS | OAE | 116.1° | 120.0° |
| CAQ | CAS | OAA | 116.8° | 120.0° |
| HAQ | CAQ | HAQA | 110.9° | 109.5° |
| OAE | CAS | OAA | 127.1° | 120.0° |
| CAS | OAA | H16 | 109.5° | 117.0° |
| CAX | N1 | CAW | 108.8° | 111.1° |
| N1 | CAX | OAD | 125.3° | 125.6° |
| N1 | CAX | CBB | 109.4° | 108.6° |
| N1 | CAW | CBA | 109.2° | 108.5° |
| N1 | CAW | OAC | 125.1° | 125.8° |
| OAD | CAX | CBB | 125.3° | 125.7° |
| CAX | CBB | CAP | 134.4° | 134.1° |
| CAX | CBB | CBA | 105.8° | 105.9° |
| CAP | CBB | CBA | 119.8° | 120.0° |
| CBB | CAP | CAU | 119.7° | 119.6° |
| CBB | CAP | HAP | 120.2° | 120.2° |
| CBB | CBA | CAO | 119.9° | 120.1° |
| CBB | CBA | CAW | 106.8° | 105.8° |
| CAU | CAP | HAP | 120.2° | 120.2° |
| CAP | CAU | CAT | 122.0° | 120.0° |
| CAP | CAU | CAK | 120.2° | 120.2° |
| CAT | CAU | CAK | 117.8° | 119.9° |
| CAU | CAT | OAF | 118.3° | 120.0° |
| CAU | CAT | OAB | 117.9° | 119.9° |
| CAU | CAK | CAO | 120.2° | 120.3° |
| CAU | CAK | HAK | 119.9° | 119.9° |
| OAF | CAT | OAB | 123.9° | 120.0° |
| CAT | OAF | H17 | 109.5° | 117.0° |
| CAO | CAK | HAK | 119.9° | 119.9° |
| CAK | CAO | CBA | 120.2° | 119.9° |
| CAK | CAO | HAO | 119.9° | 120.0° |
| CBA | CAO | HAO | 119.9° | 120.1° |
| CAO | CBA | CAW | 133.3° | 134.1° |
| CBA | CAW | OAC | 125.6° | 125.7° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAN | CAZ | CAY | CAV | 179.6° | 179.7° |
| CAZ | CAN | CAH | HAN | 180.0° | 179.9° |
| CAZ | CAN | CAH | CAG | 0.1° | 0.1° |
| CAZ | CAN | CAH | HAH | 179.9° | 180.0° |
| CAN | CAZ | CAY | CAL | 0.2° | 0.1° |
| CAN | CAZ | CAY | CAM | 179.9° | 180.0° |
| CAN | CAZ | CAV | CAJ | 179.8° | 179.8° |
| CAN | CAZ | CAV | CAR | 1.5° | 0.0° |
| CAY | CAZ | CAN | CAH | 0.0° | 0.1° |
| CAY | CAZ | CAN | HAN | 180.0° | 180.0° |
| CAZ | CAY | CAL | CAG | 0.3° | 0.1° |
| CAZ | CAY | CAL | CAM | 179.9° | 179.9° |
| CAZ | CAY | CAL | HAL | 179.8° | 179.9° |
| CAZ | CAY | CAM | CAI | 0.1° | 0.0° |
| CAZ | CAY | CAM | HAM | 179.9° | 180.0° |
| CAY | CAZ | CAV | CAJ | 0.6° | 0.5° |
| CAY | CAZ | CAV | CAR | 178.9° | 179.7° |
| CAV | CAZ | CAN | CAH | 179.6° | 179.8° |
| CAV | CAZ | CAN | HAN | 0.4° | 0.4° |
| CAV | CAZ | CAY | CAL | 179.4° | 179.8° |
| CAV | CAZ | CAY | CAM | 0.5° | 0.3° |
| CAZ | CAV | CAJ | CAI | 0.1° | 0.5° |
| CAZ | CAV | CAJ | CAR | 178.3° | 179.8° |
| CAZ | CAV | CAJ | HAJ | 179.9° | 179.8° |
| CAZ | CAV | CAR | CBC | 79.1° | 85.0° |
| CAZ | CAV | CAR | HAR | 160.9° | 155.0° |
| CAZ | CAV | CAR | HARA | 40.8° | 34.9° |
| CAN | CAH | CAG | HAH | 180.0° | 179.9° |
| CAN | CAH | CAG | CAL | 0.1° | 0.1° |
| CAN | CAH | CAG | HAG | 179.9° | 180.0° |
| HAN | CAN | CAH | CAG | 179.9° | 179.9° |
| HAN | CAN | CAH | HAH | 0.1° | 0.1° |
| CAH | CAG | CAL | HAG | 180.0° | 179.9° |
| CAH | CAG | CAL | CAY | 0.1° | 0.1° |
| CAH | CAG | CAL | HAL | 179.9° | 179.9° |
| HAH | CAH | CAG | CAL | 179.9° | 180.0° |
| HAH | CAH | CAG | HAG | 0.1° | 0.1° |
| CAG | CAL | CAY | HAL | 180.0° | 180.0° |
| CAG | CAL | CAY | CAM | 179.9° | 180.0° |
| HAG | CAG | CAL | CAY | 179.9° | 180.0° |
| HAG | CAG | CAL | HAL | 0.1° | 0.0° |
| CAL | CAY | CAM | CAI | 180.0° | 180.0° |
| CAL | CAY | CAM | HAM | 0.0° | 0.1° |
| HAL | CAL | CAY | CAM | 0.1° | 0.0° |
| CAY | CAM | CAI | HAM | 180.0° | 180.0° |
| CAY | CAM | CAI | CAJ | 0.6° | 0.0° |
| CAY | CAM | CAI | HAI | 179.4° | 180.0° |
| CAM | CAI | CAJ | HAI | 180.0° | 180.0° |
| CAM | CAI | CAJ | CAV | 0.5° | 0.3° |
| CAM | CAI | CAJ | HAJ | 179.5° | 180.0° |
| HAM | CAM | CAI | CAJ | 179.4° | 180.0° |
| HAM | CAM | CAI | HAI | 0.6° | 0.0° |
| CAI | CAJ | CAV | HAJ | 180.0° | 179.7° |
| CAI | CAJ | CAV | CAR | 178.5° | 179.7° |
| HAI | CAI | CAJ | CAV | 179.5° | 179.8° |
| HAI | CAI | CAJ | HAJ | 0.4° | 0.0° |
| CAJ | CAV | CAR | CBC | 99.2° | 94.8° |
| CAJ | CAV | CAR | HAR | 20.8° | 25.2° |
| CAJ | CAV | CAR | HARA | 140.9° | 145.3° |
| HAJ | CAJ | CAV | CAR | 1.5° | 0.0° |
| CAV | CAR | CBC | HAR | 120.0° | 120.0° |
| CAV | CAR | CBC | HARA | 119.9° | 120.0° |
| CAV | CAR | HAR | HARA | 119.9° | 120.0° |
| CAV | CAR | CBC | CAQ | 175.9° | 175.0° |
| CAV | CAR | CBC | N1 | 52.9° | 65.0° |
| CAV | CAR | CBC | HBC | 66.1° | 55.0° |
| CBC | CAR | HAR | HARA | 119.9° | 120.0° |
| CAR | CBC | CAQ | N1 | 116.3° | 120.0° |
| CAR | CBC | CAQ | HBC | 124.5° | 120.0° |
| CAR | CBC | N1 | HBC | 124.5° | 120.0° |
| CAR | CBC | CAQ | CAS | 167.9° | 175.0° |
| CAR | CBC | CAQ | HAQ | 72.2° | 65.0° |
| CAR | CBC | CAQ | HAQA | 48.6° | 55.0° |
| CAR | CBC | N1 | CAX | 104.6° | 120.0° |
| CAR | CBC | N1 | CAW | 69.2° | 59.7° |
| HAR | CAR | CBC | CAQ | 55.9° | 65.0° |
| HAR | CAR | CBC | N1 | 67.1° | 55.1° |
| HAR | CAR | CBC | HBC | 174.0° | 175.0° |
| HARA | CAR | CBC | CAQ | 64.2° | 55.0° |
| HARA | CAR | CBC | N1 | 172.8° | 175.1° |
| HARA | CAR | CBC | HBC | 53.9° | 65.0° |
| CAQ | CBC | N1 | HBC | 118.2° | 120.0° |
| CBC | CAQ | CAS | HAQ | 120.0° | 120.0° |
| CBC | CAQ | CAS | HAQA | 119.2° | 120.0° |
| CBC | CAQ | HAQ | HAQA | 119.3° | 120.0° |
| CBC | CAQ | CAS | OAE | 116.5° | 0.1° |
| CBC | CAQ | CAS | OAA | 62.6° | 180.0° |
| CAQ | CBC | N1 | CAX | 138.1° | 120.0° |
| CAQ | CBC | N1 | CAW | 48.0° | 60.3° |
| N1 | CBC | CAQ | CAS | 75.8° | 64.9° |
| N1 | CBC | CAQ | HAQ | 44.1° | 55.0° |
| N1 | CBC | CAQ | HAQA | 164.9° | 175.0° |
| CBC | N1 | CAX | CAW | 174.7° | 179.7° |
| CBC | N1 | CAX | OAD | 4.5° | 0.1° |
| CBC | N1 | CAX | CBB | 175.7° | 180.0° |
| CBC | N1 | CAW | CBA | 176.2° | 179.8° |
| CBC | N1 | CAW | OAC | 5.5° | 0.0° |
| HBC | CBC | CAQ | CAS | 43.3° | 55.0° |
| HBC | CBC | CAQ | HAQ | 163.3° | 175.0° |
| HBC | CBC | CAQ | HAQA | 75.9° | 65.0° |
| HBC | CBC | N1 | CAX | 19.9° | 0.0° |
| HBC | CBC | N1 | CAW | 166.3° | 179.7° |
| CAS | CAQ | HAQ | HAQA | 119.2° | 120.0° |
| CAQ | CAS | OAE | OAA | 179.0° | 179.9° |
| CAQ | CAS | OAA | H16 | 179.0° | 180.0° |
| HAQ | CAQ | CAS | OAE | 3.5° | 120.0° |
| HAQ | CAQ | CAS | OAA | 177.4° | 60.0° |
| HAQA | CAQ | CAS | OAE | 124.3° | 120.0° |
| HAQA | CAQ | CAS | OAA | 56.6° | 60.0° |
| OAE | CAS | OAA | H16 | 0.0° | 0.0° |
| N1 | CAX | OAD | CBB | 179.8° | 179.9° |
| N1 | CAX | CBB | CAP | 179.0° | 179.9° |
| N1 | CAX | CBB | CBA | 0.0° | 0.0° |
| CAX | N1 | CAW | CBA | 1.6° | 0.4° |
| CAX | N1 | CAW | OAC | 179.9° | 179.8° |
| CAW | N1 | CAX | OAD | 179.2° | 179.7° |
| CAW | N1 | CAX | CBB | 1.0° | 0.3° |
| N1 | CAW | CBA | CBB | 1.5° | 0.4° |
| N1 | CAW | CBA | CAO | 178.7° | 179.9° |
| N1 | CAW | CBA | OAC | 178.3° | 179.8° |
| OAD | CAX | CBB | CAP | 0.8° | 0.0° |
| OAD | CAX | CBB | CBA | 179.8° | 179.9° |
| CAX | CBB | CAP | CBA | 178.9° | 179.9° |
| CAX | CBB | CAP | CAU | 179.1° | 180.0° |
| CAX | CBB | CAP | HAP | 0.9° | 0.1° |
| CAX | CBB | CBA | CAO | 179.3° | 180.0° |
| CAX | CBB | CBA | CAW | 0.9° | 0.2° |
| CBB | CAP | CAU | HAP | 180.0° | 179.9° |
| CBB | CAP | CAU | CAT | 179.8° | 180.0° |
| CBB | CAP | CAU | CAK | 0.0° | 0.0° |
| CAP | CBB | CBA | CAO | 0.1° | 0.0° |
| CAP | CBB | CBA | CAW | 179.9° | 179.7° |
| CBA | CBB | CAP | CAU | 0.2° | 0.1° |
| CBA | CBB | CAP | HAP | 179.8° | 180.0° |
| CBB | CBA | CAO | CAK | 0.3° | 0.0° |
| CBB | CBA | CAO | CAW | 179.8° | 179.7° |
| CBB | CBA | CAO | HAO | 179.7° | 180.0° |
| CBB | CBA | CAW | OAC | 179.8° | 179.8° |
| CAP | CAU | CAT | CAK | 179.8° | 180.0° |
| CAP | CAU | CAT | OAF | 142.6° | 180.0° |
| CAP | CAU | CAT | OAB | 39.2° | 0.0° |
| CAP | CAU | CAK | CAO | 0.4° | 0.0° |
| CAP | CAU | CAK | HAK | 179.6° | 180.0° |
| HAP | CAP | CAU | CAT | 0.2° | 0.0° |
| HAP | CAP | CAU | CAK | 180.0° | 180.0° |
| CAU | CAT | OAF | OAB | 178.1° | 179.9° |
| CAT | CAU | CAK | CAO | 179.4° | 180.0° |
| CAT | CAU | CAK | HAK | 0.6° | 0.1° |
| CAU | CAT | OAF | H17 | 178.1° | 180.0° |
| CAK | CAU | CAT | OAF | 37.6° | 0.1° |
| CAK | CAU | CAT | OAB | 140.6° | 180.0° |
| CAU | CAK | CAO | HAK | 180.0° | 179.9° |
| CAU | CAK | CAO | CBA | 0.5° | 0.0° |
| CAU | CAK | CAO | HAO | 179.5° | 180.0° |
| OAB | CAT | OAF | H17 | 0.0° | 0.1° |
| CAK | CAO | CBA | HAO | 180.0° | 180.0° |
| CAK | CAO | CBA | CAW | 179.5° | 179.6° |
| HAK | CAK | CAO | CBA | 179.5° | 180.0° |
| HAK | CAK | CAO | HAO | 0.5° | 0.1° |
| CAO | CBA | CAW | OAC | 0.4° | 0.1° |
| HAO | CAO | CBA | CAW | 0.5° | 0.3° |
