WA5
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| NAA | CAR | doub | 1.29Å | 1.33Å | |
| NAA | HNAA | sing | 0.97Å | 1.00Å | |
| OAB | CAP | doub | 1.21Å | 1.23Å | |
| CAV | OAC | doub | 1.21Å | 1.23Å | |
| NAY | OAD | sing | 1.42Å | 1.36Å | |
| OAD | HOAD | sing | 0.97Å | 0.95Å | |
| CAQ | FAE | sing | 1.35Å | 1.35Å | |
| CAS | FAF | sing | 1.35Å | 1.32Å | |
| CAK | CAG | doub | 1.39Å | 1.39Å | Aromatic |
| CAG | CAH | sing | 1.38Å | 1.39Å | Aromatic |
| CAG | HAG | sing | 1.08Å | 1.08Å | |
| CAH | NAN | doub | 1.32Å | 1.41Å | Aromatic |
| CAH | HAH | sing | 1.08Å | 1.08Å | |
| CAJ | CAI | doub | 1.38Å | 1.39Å | Aromatic |
| CAI | CAQ | sing | 1.39Å | 1.39Å | Aromatic |
| CAI | HAI | sing | 1.08Å | 1.08Å | |
| CAJ | CAT | sing | 1.38Å | 1.39Å | Aromatic |
| CAJ | HAJ | sing | 1.08Å | 1.08Å | |
| CAK | CAW | sing | 1.39Å | 1.39Å | Aromatic |
| CAK | HAK | sing | 1.08Å | 1.08Å | |
| CAQ | CAL | doub | 1.38Å | 1.39Å | Aromatic |
| CAS | CAL | sing | 1.38Å | 1.39Å | Aromatic |
| CAL | HAL | sing | 1.08Å | 1.08Å | |
| CAM | CAT | sing | 1.51Å | 1.40Å | |
| CAM | NAO | sing | 1.47Å | 1.48Å | |
| CAM | HAM | sing | 1.09Å | 1.10Å | |
| CAM | HAMA | sing | 1.09Å | 1.10Å | |
| CAX | NAN | sing | 1.32Å | 1.35Å | Aromatic |
| CAP | NAO | sing | 1.35Å | 1.34Å | |
| NAO | HNAO | sing | 0.97Å | 1.00Å | |
| CAP | CAU | sing | 1.51Å | 1.40Å | |
| CAR | CAU | sing | 1.52Å | 1.39Å | |
| CAR | CAW | sing | 1.48Å | 1.39Å | |
| CAT | CAS | doub | 1.38Å | 1.39Å | Aromatic |
| CAU | CAV | sing | 1.51Å | 1.40Å | |
| CAU | HAU | sing | 1.09Å | 1.10Å | |
| CAV | NAY | sing | 1.34Å | 1.35Å | |
| CAW | CAX | doub | 1.41Å | 1.39Å | Aromatic |
| CAX | NAY | sing | 1.39Å | 1.34Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAR | NAA | HNAA | 112.0° | 119.9° |
| NAA | CAR | CAU | 119.0° | 121.6° |
| NAA | CAR | CAW | 119.2° | 121.7° |
| OAB | CAP | NAO | 122.7° | 120.0° |
| OAB | CAP | CAU | 120.4° | 120.0° |
| OAC | CAV | CAU | 120.8° | 119.0° |
| OAC | CAV | NAY | 118.6° | 118.9° |
| NAY | OAD | HOAD | 109.5° | 113.9° |
| OAD | NAY | CAV | 119.8° | 118.7° |
| OAD | NAY | CAX | 117.8° | 118.7° |
| FAE | CAQ | CAI | 120.0° | 120.0° |
| FAE | CAQ | CAL | 120.1° | 120.0° |
| FAF | CAS | CAL | 119.3° | 120.0° |
| FAF | CAS | CAT | 120.3° | 120.0° |
| CAK | CAG | CAH | 119.4° | 119.3° |
| CAK | CAG | HAG | 120.3° | 120.4° |
| CAG | CAK | CAW | 119.1° | 117.9° |
| CAG | CAK | HAK | 120.4° | 121.0° |
| CAH | CAG | HAG | 120.3° | 120.3° |
| CAG | CAH | NAN | 120.6° | 121.6° |
| CAG | CAH | HAH | 119.7° | 119.2° |
| NAN | CAH | HAH | 119.7° | 119.2° |
| CAH | NAN | CAX | 119.3° | 121.7° |
| CAJ | CAI | CAQ | 119.9° | 120.0° |
| CAJ | CAI | HAI | 120.1° | 120.0° |
| CAI | CAJ | CAT | 120.6° | 120.1° |
| CAI | CAJ | HAJ | 119.7° | 119.9° |
| CAQ | CAI | HAI | 120.0° | 120.0° |
| CAI | CAQ | CAL | 119.9° | 120.0° |
| CAT | CAJ | HAJ | 119.7° | 120.0° |
| CAJ | CAT | CAM | 120.0° | 120.0° |
| CAJ | CAT | CAS | 119.1° | 120.0° |
| CAW | CAK | HAK | 120.5° | 121.1° |
| CAK | CAW | CAR | 121.3° | 121.7° |
| CAK | CAW | CAX | 120.5° | 119.8° |
| CAQ | CAL | CAS | 120.1° | 119.9° |
| CAQ | CAL | HAL | 120.0° | 120.0° |
| CAS | CAL | HAL | 120.0° | 120.1° |
| CAL | CAS | CAT | 120.5° | 120.0° |
| CAT | CAM | NAO | 112.3° | 109.5° |
| CAT | CAM | HAM | 108.7° | 109.5° |
| CAT | CAM | HAMA | 108.7° | 109.4° |
| CAM | CAT | CAS | 120.9° | 120.0° |
| NAO | CAM | HAM | 108.8° | 109.5° |
| NAO | CAM | HAMA | 108.8° | 109.5° |
| CAM | NAO | CAP | 122.0° | 120.0° |
| CAM | NAO | HNAO | 119.0° | 120.0° |
| HAM | CAM | HAMA | 109.5° | 109.5° |
| NAN | CAX | CAW | 121.0° | 119.7° |
| NAN | CAX | NAY | 119.0° | 120.9° |
| CAP | NAO | HNAO | 119.0° | 120.0° |
| NAO | CAP | CAU | 116.8° | 120.0° |
| CAP | CAU | CAR | 120.6° | 109.6° |
| CAP | CAU | CAV | 122.3° | 109.6° |
| CAP | CAU | HAU | 90.3° | 109.6° |
| CAU | CAR | CAW | 121.8° | 116.7° |
| CAR | CAU | CAV | 117.1° | 108.6° |
| CAR | CAU | HAU | 90.3° | 109.6° |
| CAR | CAW | CAX | 118.1° | 118.4° |
| CAV | CAU | HAU | 90.3° | 109.8° |
| CAU | CAV | NAY | 120.7° | 122.2° |
| CAV | NAY | CAX | 122.3° | 122.6° |
| CAW | CAX | NAY | 119.9° | 119.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| NAA | CAR | CAW | CAK | 0.4° | 26.9° |
| NAA | CAR | CAU | CAP | 0.7° | 99.5° |
| NAA | CAR | CAU | CAW | 179.1° | 180.0° |
| NAA | CAR | CAU | CAV | 179.8° | 140.8° |
| NAA | CAR | CAU | HAU | 89.7° | 20.8° |
| NAA | CAR | CAW | CAX | 179.8° | 152.7° |
| HNAA | NAA | CAR | CAU | 179.1° | 179.9° |
| HNAA | NAA | CAR | CAW | 0.0° | 0.0° |
| OAB | CAP | NAO | CAM | 1.1° | 0.0° |
| OAB | CAP | NAO | CAU | 179.0° | 180.0° |
| OAB | CAP | NAO | HNAO | 178.9° | 180.0° |
| OAB | CAP | CAU | CAR | 0.2° | 0.0° |
| OAB | CAP | CAU | CAV | 178.8° | 119.1° |
| OAB | CAP | CAU | HAU | 90.7° | 120.3° |
| OAC | CAV | NAY | OAD | 0.1° | 3.0° |
| OAC | CAV | CAU | CAP | 0.6° | 89.0° |
| OAC | CAV | CAU | CAR | 179.6° | 151.3° |
| OAC | CAV | CAU | NAY | 179.5° | 179.5° |
| OAC | CAV | CAU | HAU | 90.0° | 31.4° |
| OAC | CAV | NAY | CAX | 179.9° | 177.1° |
| OAD | NAY | CAX | NAN | 0.2° | 14.2° |
| OAD | NAY | CAV | CAU | 179.4° | 177.5° |
| OAD | NAY | CAV | CAX | 179.8° | 179.9° |
| OAD | NAY | CAX | CAW | 179.9° | 166.2° |
| HOAD | OAD | NAY | CAV | 0.0° | 0.0° |
| HOAD | OAD | NAY | CAX | 179.8° | 180.0° |
| FAE | CAQ | CAI | CAJ | 179.9° | 179.7° |
| FAE | CAQ | CAI | CAL | 179.8° | 179.9° |
| FAE | CAQ | CAI | HAI | 0.2° | 0.1° |
| FAE | CAQ | CAL | CAS | 179.9° | 179.4° |
| FAE | CAQ | CAL | HAL | 0.0° | 0.0° |
| FAF | CAS | CAT | CAJ | 179.6° | 179.7° |
| FAF | CAS | CAL | CAQ | 179.9° | 179.5° |
| FAF | CAS | CAL | CAT | 179.7° | 179.9° |
| FAF | CAS | CAL | HAL | 0.1° | 0.0° |
| FAF | CAS | CAT | CAM | 0.7° | 0.2° |
| CAK | CAG | CAH | HAG | 180.0° | 179.6° |
| CAK | CAG | CAH | NAN | 0.1° | 0.6° |
| CAK | CAG | CAH | HAH | 179.9° | 179.5° |
| CAG | CAK | CAW | HAK | 180.0° | 180.0° |
| CAG | CAK | CAW | CAR | 179.8° | 179.5° |
| CAG | CAK | CAW | CAX | 0.1° | 0.8° |
| CAG | CAH | NAN | HAH | 180.0° | 179.9° |
| CAH | CAG | CAK | CAW | 0.0° | 0.1° |
| CAH | CAG | CAK | HAK | 179.9° | 179.9° |
| CAG | CAH | NAN | CAX | 0.2° | 0.0° |
| HAG | CAG | CAH | NAN | 179.9° | 179.8° |
| HAG | CAG | CAH | HAH | 0.1° | 0.1° |
| HAG | CAG | CAK | CAW | 180.0° | 179.8° |
| HAG | CAG | CAK | HAK | 0.1° | 0.2° |
| CAH | NAN | CAX | CAW | 0.2° | 1.0° |
| CAH | NAN | CAX | NAY | 179.7° | 179.4° |
| HAH | CAH | NAN | CAX | 179.8° | 179.9° |
| CAJ | CAI | CAQ | HAI | 180.0° | 179.9° |
| CAI | CAJ | CAT | HAJ | 180.0° | 180.0° |
| CAJ | CAI | CAQ | CAL | 0.1° | 0.2° |
| CAI | CAJ | CAT | CAM | 179.7° | 180.0° |
| CAI | CAJ | CAT | CAS | 0.7° | 0.1° |
| CAQ | CAI | CAJ | CAT | 0.4° | 0.0° |
| CAQ | CAI | CAJ | HAJ | 179.6° | 180.0° |
| CAI | CAQ | CAL | CAS | 0.2° | 0.5° |
| CAI | CAQ | CAL | HAL | 179.8° | 180.0° |
| HAI | CAI | CAJ | CAT | 179.6° | 179.8° |
| HAI | CAI | CAJ | HAJ | 0.4° | 0.2° |
| HAI | CAI | CAQ | CAL | 179.9° | 180.0° |
| CAJ | CAT | CAS | CAL | 0.7° | 0.4° |
| CAJ | CAT | CAM | CAS | 178.9° | 179.9° |
| CAJ | CAT | CAM | NAO | 123.4° | 105.0° |
| CAJ | CAT | CAM | HAM | 3.0° | 15.1° |
| CAJ | CAT | CAM | HAMA | 116.1° | 135.0° |
| HAJ | CAJ | CAT | CAM | 0.3° | 0.0° |
| HAJ | CAJ | CAT | CAS | 179.3° | 179.9° |
| CAK | CAW | CAX | NAN | 0.1° | 1.4° |
| CAK | CAW | CAR | CAU | 179.5° | 153.1° |
| CAK | CAW | CAR | CAX | 179.8° | 179.6° |
| CAK | CAW | CAX | NAY | 179.9° | 178.9° |
| HAK | CAK | CAW | CAR | 0.3° | 0.5° |
| HAK | CAK | CAW | CAX | 179.9° | 179.2° |
| CAQ | CAL | CAS | HAL | 180.0° | 179.5° |
| CAQ | CAL | CAS | CAT | 0.2° | 0.6° |
| CAL | CAS | CAT | CAM | 179.6° | 179.7° |
| HAL | CAL | CAS | CAT | 179.8° | 179.9° |
| CAT | CAM | NAO | HAM | 120.4° | 120.0° |
| CAT | CAM | NAO | HAMA | 120.4° | 120.0° |
| CAT | CAM | HAM | HAMA | 118.7° | 120.0° |
| CAT | CAM | NAO | CAP | 106.2° | 180.0° |
| CAT | CAM | NAO | HNAO | 73.8° | 0.0° |
| NAO | CAM | HAM | HAMA | 118.8° | 120.0° |
| CAM | NAO | CAP | HNAO | 180.0° | 180.0° |
| CAM | NAO | CAP | CAU | 179.9° | 180.0° |
| NAO | CAM | CAT | CAS | 57.7° | 74.9° |
| HAM | CAM | NAO | CAP | 14.2° | 60.0° |
| HAM | CAM | NAO | HNAO | 165.8° | 120.0° |
| HAM | CAM | CAT | CAS | 178.1° | 165.0° |
| HAMA | CAM | NAO | CAP | 133.4° | 60.0° |
| HAMA | CAM | NAO | HNAO | 46.6° | 120.0° |
| HAMA | CAM | CAT | CAS | 62.8° | 45.1° |
| NAN | CAX | CAW | CAR | 179.9° | 179.0° |
| NAN | CAX | NAY | CAV | 180.0° | 165.8° |
| NAN | CAX | CAW | NAY | 179.9° | 179.7° |
| NAO | CAP | CAU | CAR | 178.8° | 180.0° |
| NAO | CAP | CAU | CAV | 2.2° | 61.0° |
| NAO | CAP | CAU | HAU | 88.3° | 59.6° |
| HNAO | NAO | CAP | CAU | 0.1° | 0.0° |
| CAP | CAU | CAR | CAV | 179.0° | 119.7° |
| CAP | CAU | CAR | HAU | 90.5° | 120.4° |
| CAP | CAU | CAR | CAW | 179.9° | 80.5° |
| CAP | CAU | CAV | HAU | 90.5° | 120.5° |
| CAP | CAU | CAV | NAY | 179.9° | 91.5° |
| CAR | CAU | CAV | HAU | 90.5° | 119.8° |
| CAR | CAU | CAV | NAY | 0.9° | 28.2° |
| CAU | CAR | CAW | CAX | 0.6° | 27.3° |
| CAW | CAR | CAU | CAV | 1.1° | 39.2° |
| CAW | CAR | CAU | HAU | 89.4° | 159.2° |
| CAR | CAW | CAX | NAY | 0.0° | 0.7° |
| CAU | CAV | NAY | CAX | 0.3° | 2.4° |
| HAU | CAU | CAV | NAY | 89.6° | 148.1° |
| CAV | NAY | CAX | CAW | 0.1° | 13.9° |
