QEN
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OAC | SAX | doub | 1.42Å | 1.50Å | |
| CAJ | CAM | doub | 1.36Å | 1.39Å | Aromatic |
| CAJ | CAS | sing | 1.39Å | 1.39Å | Aromatic |
| CAM | CAV | sing | 1.41Å | 1.39Å | Aromatic |
| CAH | CAI | doub | 1.38Å | 1.39Å | Aromatic |
| CAH | CAR | sing | 1.39Å | 1.39Å | Aromatic |
| CAI | CAT | sing | 1.39Å | 1.39Å | Aromatic |
| SAX | CAS | sing | 1.76Å | 1.74Å | |
| SAX | OAB | doub | 1.42Å | 1.50Å | |
| SAX | NAP | sing | 1.66Å | 1.63Å | |
| CAS | CAO | doub | 1.36Å | 1.39Å | Aromatic |
| CAV | CAK | doub | 1.40Å | 1.39Å | Aromatic |
| CAV | CAW | sing | 1.42Å | 1.39Å | Aromatic |
| CAK | CAF | sing | 1.36Å | 1.39Å | Aromatic |
| BR1 | CAR | sing | 1.89Å | 1.89Å | |
| CAR | CAN | doub | 1.38Å | 1.39Å | Aromatic |
| CAT | NAP | sing | 1.39Å | 1.33Å | |
| CAT | CAU | doub | 1.40Å | 1.39Å | Aromatic |
| CAO | CAW | sing | 1.41Å | 1.39Å | Aromatic |
| CAW | CAL | doub | 1.40Å | 1.39Å | Aromatic |
| CAF | CAG | doub | 1.39Å | 1.39Å | Aromatic |
| CAN | CAU | sing | 1.40Å | 1.39Å | Aromatic |
| CAU | CAQ | sing | 1.47Å | 1.53Å | |
| CAL | CAG | sing | 1.36Å | 1.39Å | Aromatic |
| CAQ | OAD | doub | 1.22Å | 1.25Å | |
| CAQ | OAA | sing | 1.35Å | 1.25Å | |
| CAO | H1 | sing | 1.08Å | 1.08Å | |
| CAL | H2 | sing | 1.08Å | 1.08Å | |
| CAG | H3 | sing | 1.08Å | 1.08Å | |
| CAF | H4 | sing | 1.08Å | 1.08Å | |
| CAK | H5 | sing | 1.08Å | 1.08Å | |
| CAM | H6 | sing | 1.08Å | 1.08Å | |
| CAJ | H7 | sing | 1.08Å | 1.08Å | |
| NAP | H8 | sing | 0.97Å | 1.00Å | |
| CAI | H9 | sing | 1.08Å | 1.08Å | |
| CAH | H10 | sing | 1.08Å | 1.08Å | |
| CAN | H11 | sing | 1.08Å | 1.08Å | |
| OAA | H12 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OAC | SAX | CAS | 109.4° | 106.4° |
| OAC | SAX | OAB | 109.4° | 123.2° |
| OAC | SAX | NAP | 109.4° | 106.4° |
| CAM | CAJ | CAS | 120.1° | 121.0° |
| CAJ | CAM | CAV | 119.9° | 119.7° |
| CAJ | CAM | H6 | 120.0° | 120.2° |
| CAM | CAJ | H7 | 119.9° | 119.5° |
| CAJ | CAS | SAX | 119.3° | 119.5° |
| CAJ | CAS | CAO | 120.1° | 121.0° |
| CAS | CAJ | H7 | 120.0° | 119.6° |
| CAM | CAV | CAK | 119.8° | 121.3° |
| CAM | CAV | CAW | 120.1° | 119.4° |
| CAV | CAM | H6 | 120.0° | 120.1° |
| CAI | CAH | CAR | 120.0° | 120.4° |
| CAH | CAI | CAT | 120.2° | 120.0° |
| CAH | CAI | H9 | 119.9° | 120.0° |
| CAI | CAH | H10 | 120.0° | 119.8° |
| CAH | CAR | BR1 | 120.7° | 119.8° |
| CAH | CAR | CAN | 119.8° | 120.3° |
| CAR | CAH | H10 | 120.0° | 119.8° |
| CAI | CAT | NAP | 120.8° | 120.1° |
| CAI | CAT | CAU | 119.5° | 119.7° |
| CAT | CAI | H9 | 119.9° | 120.0° |
| CAS | SAX | OAB | 109.2° | 106.4° |
| CAS | SAX | NAP | 110.5° | 107.2° |
| SAX | CAS | CAO | 120.5° | 119.5° |
| OAB | SAX | NAP | 108.8° | 106.4° |
| SAX | NAP | CAT | 121.6° | 120.0° |
| SAX | NAP | H8 | 106.4° | 120.0° |
| CAS | CAO | CAW | 119.8° | 119.7° |
| CAS | CAO | H1 | 120.1° | 120.2° |
| CAK | CAV | CAW | 120.1° | 119.3° |
| CAV | CAK | CAF | 119.9° | 119.7° |
| CAV | CAK | H5 | 120.0° | 120.2° |
| CAV | CAW | CAO | 120.0° | 119.3° |
| CAV | CAW | CAL | 119.9° | 119.4° |
| CAK | CAF | CAG | 119.9° | 121.0° |
| CAK | CAF | H4 | 120.1° | 119.5° |
| CAF | CAK | H5 | 120.0° | 120.2° |
| BR1 | CAR | CAN | 119.5° | 119.9° |
| CAR | CAN | CAU | 120.3° | 119.9° |
| CAR | CAN | H11 | 119.8° | 120.0° |
| NAP | CAT | CAU | 119.5° | 120.2° |
| CAT | NAP | H8 | 106.4° | 120.0° |
| CAT | CAU | CAN | 120.2° | 119.6° |
| CAT | CAU | CAQ | 120.9° | 120.2° |
| CAO | CAW | CAL | 120.1° | 121.3° |
| CAW | CAO | H1 | 120.1° | 120.1° |
| CAW | CAL | CAG | 120.0° | 119.7° |
| CAW | CAL | H2 | 120.0° | 120.1° |
| CAF | CAG | CAL | 120.2° | 121.0° |
| CAF | CAG | H3 | 119.9° | 119.5° |
| CAG | CAF | H4 | 120.0° | 119.5° |
| CAN | CAU | CAQ | 118.9° | 120.2° |
| CAU | CAN | H11 | 119.9° | 120.0° |
| CAU | CAQ | OAD | 118.4° | 120.0° |
| CAU | CAQ | OAA | 117.1° | 120.0° |
| CAG | CAL | H2 | 120.0° | 120.2° |
| CAL | CAG | H3 | 119.9° | 119.5° |
| OAD | CAQ | OAA | 124.4° | 120.0° |
| CAQ | OAA | H12 | 109.5° | 117.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OAC | SAX | CAS | CAJ | 24.6° | 23.5° |
| OAC | SAX | CAS | OAB | 119.8° | 132.9° |
| OAC | SAX | CAS | NAP | 120.6° | 113.5° |
| OAC | SAX | OAB | NAP | 119.5° | 123.0° |
| OAC | SAX | CAS | CAO | 156.9° | 156.0° |
| OAC | SAX | NAP | CAT | 69.4° | 173.7° |
| OAC | SAX | NAP | H8 | 168.9° | 6.3° |
| CAM | CAJ | CAS | H7 | 180.0° | 179.8° |
| CAJ | CAM | CAV | H6 | 180.0° | 180.0° |
| CAM | CAJ | CAS | SAX | 179.5° | 180.0° |
| CAM | CAJ | CAS | CAO | 1.0° | 0.5° |
| CAJ | CAM | CAV | CAK | 180.0° | 180.0° |
| CAJ | CAM | CAV | CAW | 0.0° | 0.0° |
| CAS | CAJ | CAM | CAV | 0.5° | 0.2° |
| CAJ | CAS | SAX | CAO | 178.5° | 179.5° |
| CAJ | CAS | SAX | OAB | 95.1° | 156.4° |
| CAJ | CAS | SAX | NAP | 145.2° | 90.0° |
| CAJ | CAS | CAO | CAW | 1.1° | 0.5° |
| CAJ | CAS | CAO | H1 | 178.9° | 179.8° |
| CAS | CAJ | CAM | H6 | 179.6° | 179.8° |
| CAM | CAV | CAK | CAW | 180.0° | 180.0° |
| CAM | CAV | CAK | CAF | 179.9° | 180.0° |
| CAM | CAV | CAW | CAO | 0.1° | 0.0° |
| CAM | CAV | CAW | CAL | 179.8° | 179.9° |
| CAM | CAV | CAK | H5 | 0.1° | 0.0° |
| CAV | CAM | CAJ | H7 | 179.5° | 180.0° |
| CAI | CAH | CAR | H10 | 180.0° | 180.0° |
| CAH | CAI | CAT | H9 | 180.0° | 179.9° |
| CAI | CAH | CAR | BR1 | 179.2° | 180.0° |
| CAI | CAH | CAR | CAN | 0.1° | 0.0° |
| CAH | CAI | CAT | NAP | 178.7° | 180.0° |
| CAH | CAI | CAT | CAU | 2.0° | 0.3° |
| CAR | CAH | CAI | CAT | 0.9° | 0.1° |
| CAH | CAR | BR1 | CAN | 179.1° | 180.0° |
| CAH | CAR | CAN | CAU | 0.4° | 0.3° |
| CAR | CAH | CAI | H9 | 179.1° | 180.0° |
| CAH | CAR | CAN | H11 | 179.6° | 180.0° |
| CAI | CAT | NAP | SAX | 53.8° | 35.7° |
| CAI | CAT | NAP | CAU | 176.7° | 179.7° |
| CAI | CAT | CAU | CAN | 2.3° | 0.6° |
| CAI | CAT | CAU | CAQ | 179.0° | 179.7° |
| CAI | CAT | NAP | H8 | 175.5° | 144.3° |
| CAT | CAI | CAH | H10 | 179.1° | 180.0° |
| CAS | SAX | OAB | NAP | 120.7° | 114.1° |
| CAS | SAX | NAP | CAT | 51.2° | 60.2° |
| SAX | CAS | CAO | CAW | 179.6° | 179.9° |
| SAX | CAS | CAO | H1 | 0.4° | 0.3° |
| SAX | CAS | CAJ | H7 | 0.5° | 0.2° |
| CAS | SAX | NAP | H8 | 70.5° | 119.8° |
| OAB | SAX | CAS | CAO | 83.3° | 23.1° |
| OAB | SAX | NAP | CAT | 171.1° | 53.4° |
| OAB | SAX | NAP | H8 | 49.4° | 126.6° |
| NAP | SAX | CAS | CAO | 36.3° | 90.5° |
| SAX | NAP | CAT | H8 | 121.7° | 180.0° |
| SAX | NAP | CAT | CAU | 129.5° | 144.6° |
| CAS | CAO | CAW | CAV | 0.6° | 0.3° |
| CAS | CAO | CAW | H1 | 180.0° | 179.7° |
| CAS | CAO | CAW | CAL | 179.3° | 179.7° |
| CAO | CAS | CAJ | H7 | 179.0° | 179.7° |
| CAV | CAK | CAF | H5 | 180.0° | 180.0° |
| CAK | CAV | CAW | CAO | 179.9° | 180.0° |
| CAK | CAV | CAW | CAL | 0.2° | 0.0° |
| CAV | CAK | CAF | CAG | 0.2° | 0.0° |
| CAV | CAK | CAF | H4 | 179.8° | 180.0° |
| CAK | CAV | CAM | H6 | 0.0° | 0.0° |
| CAW | CAV | CAK | CAF | 0.1° | 0.0° |
| CAV | CAW | CAO | CAL | 179.9° | 180.0° |
| CAV | CAW | CAL | CAG | 0.0° | 0.1° |
| CAV | CAW | CAO | H1 | 179.4° | 180.0° |
| CAV | CAW | CAL | H2 | 179.9° | 179.9° |
| CAW | CAV | CAK | H5 | 179.8° | 180.0° |
| CAW | CAV | CAM | H6 | 180.0° | 180.0° |
| CAK | CAF | CAG | H4 | 180.0° | 180.0° |
| CAK | CAF | CAG | CAL | 0.5° | 0.1° |
| CAK | CAF | CAG | H3 | 179.5° | 180.0° |
| BR1 | CAR | CAN | CAU | 179.6° | 179.7° |
| BR1 | CAR | CAH | H10 | 0.7° | 0.0° |
| BR1 | CAR | CAN | H11 | 0.4° | 0.0° |
| CAR | CAN | CAU | CAT | 1.5° | 0.6° |
| CAR | CAN | CAU | H11 | 180.0° | 179.7° |
| CAR | CAN | CAU | CAQ | 179.7° | 179.7° |
| CAN | CAR | CAH | H10 | 179.9° | 180.0° |
| NAP | CAT | CAU | CAN | 179.1° | 179.7° |
| NAP | CAT | CAU | CAQ | 2.2° | 0.0° |
| NAP | CAT | CAI | H9 | 1.3° | 0.1° |
| CAT | CAU | CAN | CAQ | 178.8° | 179.7° |
| CAT | CAU | CAQ | OAD | 20.2° | 0.0° |
| CAT | CAU | CAQ | OAA | 161.0° | 180.0° |
| CAU | CAT | NAP | H8 | 7.8° | 35.4° |
| CAU | CAT | CAI | H9 | 178.0° | 179.7° |
| CAT | CAU | CAN | H11 | 178.5° | 179.7° |
| CAO | CAW | CAL | CAG | 179.9° | 180.0° |
| CAO | CAW | CAL | H2 | 0.2° | 0.1° |
| CAW | CAL | CAG | CAF | 0.4° | 0.1° |
| CAW | CAL | CAG | H2 | 180.0° | 179.8° |
| CAL | CAW | CAO | H1 | 0.7° | 0.0° |
| CAW | CAL | CAG | H3 | 179.6° | 180.0° |
| CAF | CAG | CAL | H3 | 180.0° | 179.9° |
| CAF | CAG | CAL | H2 | 179.6° | 180.0° |
| CAG | CAF | CAK | H5 | 179.8° | 180.0° |
| CAN | CAU | CAQ | OAD | 161.0° | 179.7° |
| CAN | CAU | CAQ | OAA | 17.7° | 0.3° |
| CAU | CAQ | OAD | OAA | 178.7° | 180.0° |
| CAQ | CAU | CAN | H11 | 0.3° | 0.0° |
| CAU | CAQ | OAA | H12 | 178.7° | 180.0° |
| CAL | CAG | CAF | H4 | 179.5° | 180.0° |
| OAD | CAQ | OAA | H12 | 0.0° | 0.0° |
| H2 | CAL | CAG | H3 | 0.4° | 0.1° |
| H3 | CAG | CAF | H4 | 0.5° | 0.0° |
| H4 | CAF | CAK | H5 | 0.2° | 0.0° |
| H6 | CAM | CAJ | H7 | 0.4° | 0.1° |
| H9 | CAI | CAH | H10 | 0.9° | 0.0° |
