QV7
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| SBN | OAA | sing | 1.52Å | 1.50Å | |
| OAA | HOAA | sing | 0.97Å | 0.95Å | |
| OAB | SBN | doub | 1.42Å | 1.50Å | |
| SBO | OAC | sing | 1.52Å | 1.50Å | |
| OAC | HOAC | sing | 0.97Å | 0.95Å | |
| OAD | SBO | doub | 1.42Å | 1.50Å | |
| OAE | SBP | doub | 1.42Å | 1.50Å | |
| OAF | SBP | doub | 1.42Å | 1.50Å | |
| OAG | SBQ | sing | 1.52Å | 1.50Å | |
| OAG | HOAG | sing | 0.97Å | 0.95Å | |
| OAH | SBQ | doub | 1.42Å | 1.50Å | |
| OAI | CBE | sing | 1.36Å | 1.36Å | |
| OAI | HOAI | sing | 0.97Å | 0.95Å | |
| SBN | OAJ | doub | 1.42Å | 1.42Å | |
| OAK | SBO | doub | 1.42Å | 1.43Å | |
| SBP | OAL | sing | 1.52Å | 1.43Å | |
| OAL | HOAL | sing | 0.97Å | 0.95Å | |
| OAM | SBQ | doub | 1.42Å | 1.43Å | |
| CAQ | CAN | doub | 1.36Å | 1.39Å | Aromatic |
| CBD | CAN | sing | 1.40Å | 1.39Å | Aromatic |
| CAN | HAN | sing | 1.08Å | 1.08Å | |
| CAO | CBC | doub | 1.40Å | 1.40Å | Aromatic |
| CAO | CAR | sing | 1.38Å | 1.39Å | Aromatic |
| CAO | HAO | sing | 1.08Å | 1.08Å | |
| CBC | CAP | sing | 1.40Å | 1.40Å | Aromatic |
| CAP | CAS | doub | 1.38Å | 1.40Å | Aromatic |
| CAP | HAP | sing | 1.08Å | 1.08Å | |
| CBF | CAQ | sing | 1.40Å | 1.40Å | Aromatic |
| CAQ | HAQ | sing | 1.08Å | 1.08Å | |
| CAR | CBG | doub | 1.38Å | 1.39Å | Aromatic |
| CAR | HAR | sing | 1.08Å | 1.08Å | |
| CBG | CAS | sing | 1.38Å | 1.40Å | Aromatic |
| CAS | HAS | sing | 1.08Å | 1.08Å | |
| CAU | CAT | doub | 1.36Å | 1.39Å | Aromatic |
| CBH | CAT | sing | 1.39Å | 1.39Å | Aromatic |
| CAT | HAT | sing | 1.08Å | 1.08Å | |
| CBM | CAU | sing | 1.40Å | 1.40Å | Aromatic |
| CAU | HAU | sing | 1.08Å | 1.08Å | |
| CBI | CAV | sing | 1.37Å | 1.40Å | Aromatic |
| CAV | CBD | doub | 1.40Å | 1.39Å | Aromatic |
| CAV | HAV | sing | 1.08Å | 1.08Å | |
| CBL | CAW | sing | 1.41Å | 1.40Å | Aromatic |
| CAW | CBH | doub | 1.36Å | 1.40Å | Aromatic |
| CAW | HAW | sing | 1.08Å | 1.08Å | |
| CBJ | CAX | sing | 1.36Å | 1.39Å | Aromatic |
| CAX | CBL | doub | 1.41Å | 1.39Å | Aromatic |
| CAX | HAX | sing | 1.08Å | 1.08Å | |
| NAZ | NAY | doub | 1.29Å | 1.23Å | |
| NAY | CBC | sing | 1.37Å | 1.34Å | |
| CBD | NAZ | sing | 1.36Å | 1.34Å | |
| NBB | NBA | doub | 1.29Å | 1.24Å | |
| NBA | CBF | sing | 1.36Å | 1.35Å | |
| CBK | NBB | sing | 1.36Å | 1.35Å | |
| CBJ | CBE | doub | 1.39Å | 1.41Å | Aromatic |
| CBE | CBK | sing | 1.40Å | 1.41Å | Aromatic |
| CBI | CBF | doub | 1.40Å | 1.41Å | Aromatic |
| CBG | SBN | sing | 1.76Å | 1.76Å | |
| CBH | SBO | sing | 1.76Å | 1.76Å | |
| SBP | CBI | sing | 1.76Å | 1.76Å | |
| SBQ | CBJ | sing | 1.76Å | 1.77Å | |
| CBK | CBM | doub | 1.46Å | 1.40Å | Aromatic |
| CBL | CBM | sing | 1.42Å | 1.40Å | Aromatic |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| SBN | OAA | HOAA | 109.5° | 113.9° |
| OAA | SBN | OAB | 109.1° | 106.4° |
| OAA | SBN | OAJ | 109.3° | 106.4° |
| OAA | SBN | CBG | 109.7° | 107.2° |
| OAB | SBN | OAJ | 109.1° | 123.2° |
| OAB | SBN | CBG | 109.5° | 106.4° |
| SBO | OAC | HOAC | 109.5° | 114.0° |
| OAC | SBO | OAD | 109.6° | 106.4° |
| OAC | SBO | OAK | 109.1° | 106.4° |
| OAC | SBO | CBH | 109.4° | 107.2° |
| OAD | SBO | OAK | 109.4° | 123.2° |
| OAD | SBO | CBH | 109.5° | 106.5° |
| OAE | SBP | OAF | 110.1° | 123.2° |
| OAE | SBP | OAL | 108.8° | 106.4° |
| OAE | SBP | CBI | 109.2° | 106.4° |
| OAF | SBP | OAL | 108.8° | 106.4° |
| OAF | SBP | CBI | 110.3° | 106.4° |
| SBQ | OAG | HOAG | 109.5° | 114.0° |
| OAG | SBQ | OAH | 108.8° | 106.4° |
| OAG | SBQ | OAM | 108.9° | 106.4° |
| OAG | SBQ | CBJ | 110.2° | 107.2° |
| OAH | SBQ | OAM | 109.8° | 123.1° |
| OAH | SBQ | CBJ | 109.6° | 106.4° |
| CBE | OAI | HOAI | 109.5° | 114.0° |
| OAI | CBE | CBJ | 119.6° | 119.8° |
| OAI | CBE | CBK | 119.9° | 119.8° |
| OAJ | SBN | CBG | 110.1° | 106.4° |
| OAK | SBO | CBH | 109.9° | 106.3° |
| SBP | OAL | HOAL | 109.5° | 114.0° |
| OAL | SBP | CBI | 109.6° | 107.2° |
| OAM | SBQ | CBJ | 109.5° | 106.4° |
| CAQ | CAN | CBD | 119.4° | 120.0° |
| CAQ | CAN | HAN | 120.3° | 120.0° |
| CAN | CAQ | CBF | 122.1° | 120.0° |
| CAN | CAQ | HAQ | 119.0° | 120.0° |
| CBD | CAN | HAN | 120.3° | 120.0° |
| CAN | CBD | CAV | 119.2° | 120.0° |
| CAN | CBD | NAZ | 122.8° | 120.0° |
| CBC | CAO | CAR | 120.6° | 119.9° |
| CBC | CAO | HAO | 119.7° | 120.1° |
| CAO | CBC | CAP | 119.5° | 119.6° |
| CAO | CBC | NAY | 119.7° | 120.2° |
| CAR | CAO | HAO | 119.7° | 120.1° |
| CAO | CAR | CBG | 119.8° | 120.1° |
| CAO | CAR | HAR | 120.1° | 119.9° |
| CBC | CAP | CAS | 119.9° | 119.8° |
| CBC | CAP | HAP | 120.0° | 120.1° |
| CAP | CBC | NAY | 120.8° | 120.2° |
| CAS | CAP | HAP | 120.1° | 120.1° |
| CAP | CAS | CBG | 120.3° | 120.2° |
| CAP | CAS | HAS | 119.9° | 119.9° |
| CBF | CAQ | HAQ | 119.0° | 119.9° |
| CAQ | CBF | NBA | 114.5° | 120.0° |
| CAQ | CBF | CBI | 118.3° | 119.9° |
| CBG | CAR | HAR | 120.1° | 119.9° |
| CAR | CBG | CAS | 119.9° | 120.3° |
| CAR | CBG | SBN | 119.5° | 119.8° |
| CBG | CAS | HAS | 119.9° | 119.9° |
| CAS | CBG | SBN | 120.6° | 119.8° |
| CAU | CAT | CBH | 119.8° | 120.9° |
| CAU | CAT | HAT | 120.1° | 119.6° |
| CAT | CAU | CBM | 121.0° | 119.7° |
| CAT | CAU | HAU | 119.5° | 120.2° |
| CBH | CAT | HAT | 120.1° | 119.5° |
| CAT | CBH | CAW | 119.9° | 121.0° |
| CAT | CBH | SBO | 119.2° | 119.5° |
| CBM | CAU | HAU | 119.5° | 120.2° |
| CAU | CBM | CBK | 120.5° | 121.5° |
| CAU | CBM | CBL | 118.9° | 119.7° |
| CBI | CAV | CBD | 121.9° | 120.0° |
| CBI | CAV | HAV | 119.0° | 120.0° |
| CAV | CBI | CBF | 119.1° | 120.0° |
| CAV | CBI | SBP | 115.6° | 120.0° |
| CBD | CAV | HAV | 119.0° | 120.0° |
| CAV | CBD | NAZ | 118.0° | 120.0° |
| CBL | CAW | CBH | 120.1° | 119.7° |
| CBL | CAW | HAW | 119.9° | 120.2° |
| CAW | CBL | CAX | 119.7° | 121.3° |
| CAW | CBL | CBM | 120.2° | 119.2° |
| CBH | CAW | HAW | 119.9° | 120.2° |
| CAW | CBH | SBO | 120.9° | 119.5° |
| CBJ | CAX | CBL | 120.4° | 120.8° |
| CBJ | CAX | HAX | 119.8° | 119.6° |
| CAX | CBJ | CBE | 119.7° | 121.8° |
| CAX | CBJ | SBQ | 118.6° | 119.1° |
| CBL | CAX | HAX | 119.8° | 119.5° |
| CAX | CBL | CBM | 120.0° | 119.6° |
| NAZ | NAY | CBC | 120.4° | 120.0° |
| NAY | NAZ | CBD | 123.8° | 120.0° |
| NBB | NBA | CBF | 130.1° | 120.1° |
| NBA | NBB | CBK | 119.3° | 120.0° |
| NBA | CBF | CBI | 127.2° | 120.1° |
| NBB | CBK | CBE | 122.0° | 120.8° |
| NBB | CBK | CBM | 119.1° | 120.7° |
| CBJ | CBE | CBK | 120.5° | 120.4° |
| CBE | CBJ | SBQ | 121.7° | 119.1° |
| CBE | CBK | CBM | 118.9° | 118.5° |
| CBF | CBI | SBP | 125.3° | 120.0° |
| CBK | CBM | CBL | 120.6° | 118.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OAA | SBN | OAB | OAJ | 119.4° | 123.0° |
| OAA | SBN | OAB | CBG | 120.1° | 114.1° |
| OAA | SBN | OAJ | CBG | 120.6° | 114.1° |
| OAA | SBN | CBG | CAR | 146.2° | 90.0° |
| OAA | SBN | CBG | CAS | 33.5° | 90.0° |
| HOAA | OAA | SBN | OAB | 119.3° | 66.5° |
| HOAA | OAA | SBN | OAJ | 0.0° | 66.5° |
| HOAA | OAA | SBN | CBG | 120.8° | 180.0° |
| OAB | SBN | OAJ | CBG | 120.1° | 123.0° |
| OAB | SBN | CBG | CAR | 26.5° | 23.6° |
| OAB | SBN | CBG | CAS | 153.2° | 156.5° |
| OAC | SBO | OAD | OAK | 119.6° | 122.9° |
| OAC | SBO | OAD | CBH | 119.9° | 114.1° |
| OAC | SBO | OAK | CBH | 119.9° | 114.1° |
| OAC | SBO | CBH | CAT | 27.5° | 90.0° |
| OAC | SBO | CBH | CAW | 152.5° | 90.1° |
| HOAC | OAC | SBO | OAD | 119.8° | 66.4° |
| HOAC | OAC | SBO | OAK | 0.0° | 66.6° |
| HOAC | OAC | SBO | CBH | 120.2° | 180.0° |
| OAD | SBO | OAK | CBH | 120.2° | 123.0° |
| OAD | SBO | CBH | CAT | 92.6° | 156.4° |
| OAD | SBO | CBH | CAW | 87.4° | 23.5° |
| OAE | SBP | OAF | OAL | 119.2° | 123.0° |
| OAE | SBP | OAF | CBI | 120.6° | 123.0° |
| OAE | SBP | OAL | CBI | 119.4° | 113.5° |
| OAE | SBP | OAL | HOAL | 0.0° | 66.4° |
| OAE | SBP | CBI | CAV | 121.3° | 83.5° |
| OAE | SBP | CBI | CBF | 58.5° | 96.2° |
| OAF | SBP | OAL | CBI | 120.7° | 113.5° |
| OAF | SBP | OAL | HOAL | 120.0° | 66.5° |
| OAF | SBP | CBI | CAV | 117.5° | 143.6° |
| OAF | SBP | CBI | CBF | 62.7° | 36.8° |
| OAG | SBQ | OAH | OAM | 119.1° | 123.0° |
| OAG | SBQ | OAH | CBJ | 120.6° | 114.1° |
| OAG | SBQ | OAM | CBJ | 120.6° | 114.1° |
| OAG | SBQ | CBJ | CAX | 31.9° | 90.0° |
| OAG | SBQ | CBJ | CBE | 148.0° | 90.6° |
| HOAG | OAG | SBQ | OAH | 119.6° | 66.5° |
| HOAG | OAG | SBQ | OAM | 0.0° | 66.4° |
| HOAG | OAG | SBQ | CBJ | 120.1° | 180.0° |
| OAH | SBQ | OAM | CBJ | 120.4° | 122.9° |
| OAH | SBQ | CBJ | CAX | 87.9° | 23.5° |
| OAH | SBQ | CBJ | CBE | 92.2° | 155.9° |
| OAI | CBE | CBJ | CAX | 179.9° | 179.7° |
| OAI | CBE | CBK | NBB | 0.4° | 0.0° |
| OAI | CBE | CBJ | CBK | 179.8° | 179.8° |
| OAI | CBE | CBJ | SBQ | 0.2° | 0.2° |
| OAI | CBE | CBK | CBM | 179.9° | 180.0° |
| HOAI | OAI | CBE | CBJ | 13.8° | 90.3° |
| HOAI | OAI | CBE | CBK | 166.0° | 89.9° |
| OAJ | SBN | CBG | CAR | 93.4° | 156.5° |
| OAJ | SBN | CBG | CAS | 86.8° | 23.5° |
| OAK | SBO | CBH | CAT | 147.3° | 23.5° |
| OAK | SBO | CBH | CAW | 32.8° | 156.5° |
| OAL | SBP | CBI | CAV | 2.2° | 30.0° |
| OAL | SBP | CBI | CBF | 177.6° | 150.3° |
| HOAL | OAL | SBP | CBI | 119.3° | 180.0° |
| OAM | SBQ | CBJ | CAX | 151.6° | 156.4° |
| OAM | SBQ | CBJ | CBE | 28.2° | 23.0° |
| CAQ | CAN | CBD | HAN | 180.0° | 179.8° |
| CAN | CAQ | CBF | HAQ | 180.0° | 180.0° |
| CAQ | CAN | CBD | CAV | 0.3° | 0.2° |
| CAQ | CAN | CBD | NAZ | 179.6° | 179.7° |
| CAN | CAQ | CBF | NBA | 179.8° | 180.0° |
| CAN | CAQ | CBF | CBI | 0.1° | 0.1° |
| CBD | CAN | CAQ | CBF | 0.2° | 0.2° |
| CBD | CAN | CAQ | HAQ | 179.8° | 179.8° |
| CAN | CBD | CAV | CBI | 0.3° | 0.1° |
| CAN | CBD | CAV | NAZ | 179.4° | 179.9° |
| CAN | CBD | CAV | HAV | 179.7° | 180.0° |
| CAN | CBD | NAZ | NAY | 30.8° | 0.0° |
| HAN | CAN | CAQ | CBF | 179.8° | 180.0° |
| HAN | CAN | CAQ | HAQ | 0.2° | 0.0° |
| HAN | CAN | CBD | CAV | 179.7° | 180.0° |
| HAN | CAN | CBD | NAZ | 0.4° | 0.1° |
| CBC | CAO | CAR | HAO | 180.0° | 179.7° |
| CAO | CBC | CAP | NAY | 178.8° | 180.0° |
| CAO | CBC | CAP | CAS | 0.6° | 0.0° |
| CAO | CBC | CAP | HAP | 179.4° | 180.0° |
| CBC | CAO | CAR | CBG | 0.4° | 0.0° |
| CBC | CAO | CAR | HAR | 179.6° | 180.0° |
| CAO | CBC | NAY | NAZ | 36.8° | 180.0° |
| CAR | CAO | CBC | CAP | 0.7° | 0.0° |
| CAO | CAR | CBG | HAR | 180.0° | 179.9° |
| CAO | CAR | CBG | CAS | 0.0° | 0.0° |
| CAR | CAO | CBC | NAY | 179.5° | 180.0° |
| CAO | CAR | CBG | SBN | 179.7° | 180.0° |
| HAO | CAO | CBC | CAP | 179.3° | 179.7° |
| HAO | CAO | CAR | CBG | 179.6° | 179.7° |
| HAO | CAO | CAR | HAR | 0.4° | 0.4° |
| HAO | CAO | CBC | NAY | 0.6° | 0.3° |
| CBC | CAP | CAS | HAP | 180.0° | 180.0° |
| CBC | CAP | CAS | CBG | 0.2° | 0.1° |
| CBC | CAP | CAS | HAS | 179.8° | 180.0° |
| CAP | CBC | NAY | NAZ | 144.4° | 0.0° |
| CAP | CAS | CBG | CAR | 0.1° | 0.1° |
| CAP | CAS | CBG | HAS | 180.0° | 180.0° |
| CAS | CAP | CBC | NAY | 179.4° | 179.9° |
| CAP | CAS | CBG | SBN | 179.8° | 180.0° |
| HAP | CAP | CAS | CBG | 179.8° | 180.0° |
| HAP | CAP | CAS | HAS | 0.2° | 0.0° |
| HAP | CAP | CBC | NAY | 0.6° | 0.0° |
| CAQ | CBF | CBI | CAV | 0.1° | 0.3° |
| CAQ | CBF | NBA | NBB | 156.3° | 0.0° |
| CAQ | CBF | NBA | CBI | 179.9° | 180.0° |
| CAQ | CBF | CBI | SBP | 179.9° | 180.0° |
| HAQ | CAQ | CBF | NBA | 0.2° | 0.0° |
| HAQ | CAQ | CBF | CBI | 179.9° | 180.0° |
| CAR | CBG | CAS | SBN | 179.7° | 180.0° |
| CAR | CBG | CAS | HAS | 179.9° | 180.0° |
| HAR | CAR | CBG | CAS | 180.0° | 180.0° |
| HAR | CAR | CBG | SBN | 0.3° | 0.1° |
| HAS | CAS | CBG | SBN | 0.2° | 0.0° |
| CAU | CAT | CBH | HAT | 180.0° | 179.7° |
| CAT | CAU | CBM | HAU | 180.0° | 180.0° |
| CAU | CAT | CBH | CAW | 0.1° | 0.3° |
| CAU | CAT | CBH | SBO | 179.9° | 179.7° |
| CAT | CAU | CBM | CBK | 179.9° | 180.0° |
| CAT | CAU | CBM | CBL | 0.1° | 0.0° |
| CBH | CAT | CAU | CBM | 0.1° | 0.3° |
| CBH | CAT | CAU | HAU | 179.9° | 179.7° |
| CAT | CBH | CAW | CBL | 0.0° | 0.0° |
| CAT | CBH | CAW | SBO | 180.0° | 180.0° |
| CAT | CBH | CAW | HAW | 179.9° | 180.0° |
| HAT | CAT | CAU | CBM | 179.9° | 180.0° |
| HAT | CAT | CAU | HAU | 0.1° | 0.0° |
| HAT | CAT | CBH | CAW | 179.9° | 180.0° |
| HAT | CAT | CBH | SBO | 0.1° | 0.0° |
| CAU | CBM | CBL | CAW | 0.0° | 0.3° |
| CAU | CBM | CBL | CAX | 180.0° | 180.0° |
| CAU | CBM | CBK | NBB | 0.4° | 0.0° |
| CAU | CBM | CBK | CBE | 180.0° | 180.0° |
| CAU | CBM | CBK | CBL | 179.8° | 180.0° |
| HAU | CAU | CBM | CBK | 0.1° | 0.0° |
| HAU | CAU | CBM | CBL | 179.9° | 180.0° |
| CBI | CAV | CBD | HAV | 180.0° | 180.0° |
| CBI | CAV | CBD | NAZ | 179.7° | 180.0° |
| CAV | CBI | CBF | NBA | 179.8° | 179.7° |
| CAV | CBI | CBF | SBP | 179.8° | 179.7° |
| CAV | CBD | NAZ | NAY | 148.6° | 180.0° |
| CBD | CAV | CBI | CBF | 0.2° | 0.3° |
| CBD | CAV | CBI | SBP | 180.0° | 180.0° |
| HAV | CAV | CBD | NAZ | 0.3° | 0.0° |
| HAV | CAV | CBI | CBF | 179.8° | 179.7° |
| HAV | CAV | CBI | SBP | 0.0° | 0.1° |
| CBL | CAW | CBH | HAW | 180.0° | 180.0° |
| CAW | CBL | CAX | CBJ | 179.9° | 180.0° |
| CAW | CBL | CAX | CBM | 180.0° | 179.7° |
| CAW | CBL | CAX | HAX | 0.1° | 0.1° |
| CBL | CAW | CBH | SBO | 180.0° | 180.0° |
| CAW | CBL | CBM | CBK | 179.9° | 179.7° |
| CBH | CAW | CBL | CAX | 180.0° | 179.9° |
| CBH | CAW | CBL | CBM | 0.0° | 0.3° |
| HAW | CAW | CBL | CAX | 0.0° | 0.0° |
| HAW | CAW | CBH | SBO | 0.0° | 0.0° |
| HAW | CAW | CBL | CBM | 180.0° | 179.7° |
| CBJ | CAX | CBL | HAX | 180.0° | 179.9° |
| CAX | CBJ | CBE | SBQ | 179.9° | 179.4° |
| CAX | CBJ | CBE | CBK | 0.2° | 0.6° |
| CBJ | CAX | CBL | CBM | 0.1° | 0.3° |
| CBL | CAX | CBJ | CBE | 0.2° | 0.6° |
| CBL | CAX | CBJ | SBQ | 179.7° | 180.0° |
| CAX | CBL | CBM | CBK | 0.2° | 0.0° |
| HAX | CAX | CBJ | CBE | 179.8° | 179.5° |
| HAX | CAX | CBJ | SBQ | 0.3° | 0.1° |
| HAX | CAX | CBL | CBM | 179.8° | 179.8° |
| CBC | NAY | NAZ | CBD | 176.6° | 180.0° |
| NBA | NBB | CBK | CBE | 121.6° | 0.0° |
| NBB | NBA | CBF | CBI | 23.7° | 180.0° |
| NBA | NBB | CBK | CBM | 58.9° | 180.0° |
| CBF | NBA | NBB | CBK | 176.0° | 180.0° |
| NBA | CBF | CBI | SBP | 0.0° | 0.0° |
| NBB | CBK | CBE | CBJ | 179.8° | 179.8° |
| NBB | CBK | CBE | CBM | 179.5° | 180.0° |
| NBB | CBK | CBM | CBL | 179.7° | 180.0° |
| CBJ | CBE | CBK | CBM | 0.3° | 0.3° |
| CBK | CBE | CBJ | SBQ | 179.6° | 180.0° |
| CBE | CBK | CBM | CBL | 0.2° | 0.0° |
