QEZ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| BR | CAR | sing | 1.89Å | 1.90Å | |
| CAR | CAF | doub | 1.39Å | 1.39Å | Aromatic |
| CAR | CAJ | sing | 1.38Å | 1.39Å | Aromatic |
| CAF | CAI | sing | 1.38Å | 1.40Å | Aromatic |
| CAJ | CAW | doub | 1.40Å | 1.39Å | Aromatic |
| CAI | CAV | doub | 1.39Å | 1.40Å | Aromatic |
| CAW | CAV | sing | 1.40Å | 1.39Å | Aromatic |
| CAW | CAQ | sing | 1.47Å | 1.53Å | |
| CAV | NAP | sing | 1.39Å | 1.34Å | |
| OAA | CAQ | doub | 1.22Å | 1.25Å | |
| OAC | SAX | doub | 1.42Å | 1.50Å | |
| CAQ | OAD | sing | 1.35Å | 1.25Å | |
| NAP | SAX | sing | 1.66Å | 1.64Å | |
| CAG | CAH | doub | 1.38Å | 1.39Å | Aromatic |
| CAG | CAS | sing | 1.38Å | 1.39Å | Aromatic |
| SAX | CAS | sing | 1.76Å | 1.76Å | |
| SAX | OAB | doub | 1.42Å | 1.50Å | |
| CAH | CAT | sing | 1.39Å | 1.39Å | Aromatic |
| CAS | CAK | doub | 1.38Å | 1.39Å | Aromatic |
| CAT | CAN | sing | 1.51Å | 1.53Å | |
| CAT | CAU | doub | 1.38Å | 1.39Å | Aromatic |
| CAN | CAL | sing | 1.53Å | 1.53Å | |
| CAK | CAU | sing | 1.39Å | 1.40Å | Aromatic |
| CAU | CAO | sing | 1.51Å | 1.53Å | |
| CAL | CAM | sing | 1.53Å | 1.53Å | |
| CAO | CAM | sing | 1.53Å | 1.53Å | |
| CAK | H1 | sing | 1.08Å | 1.08Å | |
| CAO | H2 | sing | 1.09Å | 1.10Å | |
| CAO | H3 | sing | 1.09Å | 1.10Å | |
| CAM | H4 | sing | 1.09Å | 1.10Å | |
| CAM | H5 | sing | 1.09Å | 1.10Å | |
| CAL | H6 | sing | 1.09Å | 1.10Å | |
| CAL | H7 | sing | 1.09Å | 1.10Å | |
| CAN | H8 | sing | 1.09Å | 1.10Å | |
| CAN | H9 | sing | 1.09Å | 1.10Å | |
| CAH | H10 | sing | 1.08Å | 1.08Å | |
| CAG | H11 | sing | 1.08Å | 1.08Å | |
| NAP | H12 | sing | 0.97Å | 1.00Å | |
| CAI | H13 | sing | 1.08Å | 1.08Å | |
| CAF | H14 | sing | 1.08Å | 1.08Å | |
| CAJ | H15 | sing | 1.08Å | 1.08Å | |
| OAD | H16 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| BR | CAR | CAF | 121.9° | 119.8° |
| BR | CAR | CAJ | 119.2° | 119.8° |
| CAF | CAR | CAJ | 119.0° | 120.3° |
| CAR | CAF | CAI | 120.5° | 120.4° |
| CAR | CAF | H14 | 119.7° | 119.8° |
| CAR | CAJ | CAW | 120.5° | 119.9° |
| CAR | CAJ | H15 | 119.8° | 120.0° |
| CAF | CAI | CAV | 120.3° | 120.1° |
| CAF | CAI | H13 | 119.8° | 120.0° |
| CAI | CAF | H14 | 119.8° | 119.8° |
| CAJ | CAW | CAV | 120.9° | 119.6° |
| CAJ | CAW | CAQ | 119.5° | 120.2° |
| CAW | CAJ | H15 | 119.7° | 120.1° |
| CAI | CAV | CAW | 118.7° | 119.6° |
| CAI | CAV | NAP | 122.6° | 120.2° |
| CAV | CAI | H13 | 119.9° | 119.9° |
| CAV | CAW | CAQ | 119.6° | 120.2° |
| CAW | CAV | NAP | 118.0° | 120.2° |
| CAW | CAQ | OAA | 117.7° | 120.0° |
| CAW | CAQ | OAD | 117.7° | 120.0° |
| CAV | NAP | SAX | 124.2° | 120.0° |
| CAV | NAP | H12 | 105.7° | 120.0° |
| OAA | CAQ | OAD | 124.6° | 120.0° |
| OAC | SAX | NAP | 110.1° | 106.4° |
| OAC | SAX | CAS | 109.9° | 106.4° |
| OAC | SAX | OAB | 109.4° | 123.2° |
| CAQ | OAD | H16 | 109.5° | 117.0° |
| NAP | SAX | CAS | 110.9° | 107.2° |
| NAP | SAX | OAB | 108.9° | 106.4° |
| SAX | NAP | H12 | 105.7° | 120.0° |
| CAH | CAG | CAS | 119.8° | 119.7° |
| CAG | CAH | CAT | 121.1° | 120.6° |
| CAG | CAH | H10 | 119.5° | 119.7° |
| CAH | CAG | H11 | 120.1° | 120.1° |
| CAG | CAS | SAX | 119.7° | 120.1° |
| CAG | CAS | CAK | 119.4° | 119.8° |
| CAS | CAG | H11 | 120.1° | 120.1° |
| CAS | SAX | OAB | 107.7° | 106.4° |
| SAX | CAS | CAK | 120.8° | 120.1° |
| CAH | CAT | CAN | 117.2° | 117.8° |
| CAH | CAT | CAU | 119.5° | 119.7° |
| CAT | CAH | H10 | 119.5° | 119.7° |
| CAS | CAK | CAU | 120.8° | 120.5° |
| CAS | CAK | H1 | 119.6° | 119.7° |
| CAN | CAT | CAU | 123.3° | 122.6° |
| CAT | CAN | CAL | 111.5° | 110.6° |
| CAT | CAN | H8 | 109.0° | 109.3° |
| CAT | CAN | H9 | 109.0° | 109.2° |
| CAT | CAU | CAK | 119.4° | 119.7° |
| CAT | CAU | CAO | 122.2° | 122.5° |
| CAN | CAL | CAM | 111.3° | 108.4° |
| CAN | CAL | H6 | 109.0° | 109.7° |
| CAN | CAL | H7 | 109.0° | 109.8° |
| CAL | CAN | H8 | 108.9° | 109.2° |
| CAL | CAN | H9 | 109.0° | 109.3° |
| CAK | CAU | CAO | 118.3° | 117.7° |
| CAU | CAK | H1 | 119.6° | 119.8° |
| CAU | CAO | CAM | 110.6° | 110.6° |
| CAU | CAO | H2 | 109.2° | 109.3° |
| CAU | CAO | H3 | 109.2° | 109.2° |
| CAL | CAM | CAO | 111.3° | 108.4° |
| CAL | CAM | H4 | 109.0° | 109.7° |
| CAL | CAM | H5 | 109.0° | 109.7° |
| CAM | CAL | H6 | 109.0° | 109.7° |
| CAM | CAL | H7 | 109.0° | 109.6° |
| CAM | CAO | H2 | 109.2° | 109.3° |
| CAM | CAO | H3 | 109.2° | 109.2° |
| CAO | CAM | H4 | 109.0° | 109.7° |
| CAO | CAM | H5 | 109.0° | 109.7° |
| H2 | CAO | H3 | 109.5° | 109.2° |
| H4 | CAM | H5 | 109.4° | 109.7° |
| H6 | CAL | H7 | 109.4° | 109.7° |
| H8 | CAN | H9 | 109.5° | 109.3° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| BR | CAR | CAF | CAJ | 179.7° | 180.0° |
| BR | CAR | CAF | CAI | 179.6° | 180.0° |
| BR | CAR | CAJ | CAW | 179.8° | 179.7° |
| BR | CAR | CAF | H14 | 0.4° | 0.0° |
| BR | CAR | CAJ | H15 | 0.2° | 0.0° |
| CAR | CAF | CAI | H14 | 180.0° | 180.0° |
| CAF | CAR | CAJ | CAW | 0.2° | 0.3° |
| CAR | CAF | CAI | CAV | 2.5° | 0.1° |
| CAR | CAF | CAI | H13 | 177.5° | 180.0° |
| CAF | CAR | CAJ | H15 | 179.8° | 180.0° |
| CAJ | CAR | CAF | CAI | 0.0° | 0.0° |
| CAR | CAJ | CAW | H15 | 180.0° | 179.8° |
| CAR | CAJ | CAW | CAV | 2.2° | 0.5° |
| CAR | CAJ | CAW | CAQ | 179.9° | 180.0° |
| CAJ | CAR | CAF | H14 | 180.0° | 180.0° |
| CAF | CAI | CAV | H13 | 180.0° | 179.9° |
| CAF | CAI | CAV | CAW | 4.7° | 0.3° |
| CAF | CAI | CAV | NAP | 174.9° | 180.0° |
| CAJ | CAW | CAV | CAI | 4.6° | 0.6° |
| CAJ | CAW | CAV | CAQ | 177.9° | 179.5° |
| CAJ | CAW | CAV | NAP | 175.2° | 179.8° |
| CAJ | CAW | CAQ | OAA | 25.9° | 180.0° |
| CAJ | CAW | CAQ | OAD | 153.8° | 0.0° |
| CAI | CAV | CAW | NAP | 170.6° | 179.7° |
| CAI | CAV | CAW | CAQ | 177.5° | 180.0° |
| CAI | CAV | NAP | SAX | 56.5° | 35.7° |
| CAI | CAV | NAP | H12 | 65.5° | 144.2° |
| CAV | CAI | CAF | H14 | 177.5° | 180.0° |
| CAV | CAW | CAQ | OAA | 152.0° | 0.6° |
| CAV | CAW | CAQ | OAD | 28.2° | 179.5° |
| CAW | CAV | NAP | SAX | 133.3° | 144.6° |
| CAW | CAV | NAP | H12 | 104.7° | 35.4° |
| CAW | CAV | CAI | H13 | 175.2° | 179.8° |
| CAV | CAW | CAJ | H15 | 177.8° | 179.7° |
| CAQ | CAW | CAV | NAP | 6.9° | 0.3° |
| CAW | CAQ | OAA | OAD | 179.8° | 179.9° |
| CAQ | CAW | CAJ | H15 | 0.1° | 0.2° |
| CAW | CAQ | OAD | H16 | 179.8° | 179.9° |
| CAV | NAP | SAX | OAC | 13.3° | 173.7° |
| CAV | NAP | SAX | H12 | 122.0° | 180.0° |
| CAV | NAP | SAX | CAS | 108.4° | 60.2° |
| CAV | NAP | SAX | OAB | 133.3° | 53.3° |
| NAP | CAV | CAI | H13 | 5.1° | 0.1° |
| OAA | CAQ | OAD | H16 | 0.0° | 0.0° |
| OAC | SAX | NAP | CAS | 121.7° | 113.5° |
| OAC | SAX | NAP | OAB | 120.0° | 132.9° |
| OAC | SAX | CAS | CAG | 55.0° | 23.5° |
| OAC | SAX | CAS | OAB | 119.1° | 132.9° |
| OAC | SAX | CAS | CAK | 123.1° | 156.0° |
| OAC | SAX | NAP | H12 | 108.7° | 6.3° |
| NAP | SAX | CAS | CAG | 66.9° | 90.0° |
| NAP | SAX | CAS | OAB | 119.0° | 113.6° |
| NAP | SAX | CAS | CAK | 115.1° | 90.5° |
| CAH | CAG | CAS | H11 | 180.0° | 179.8° |
| CAH | CAG | CAS | SAX | 178.7° | 179.9° |
| CAG | CAH | CAT | H10 | 180.0° | 180.0° |
| CAH | CAG | CAS | CAK | 0.7° | 0.6° |
| CAG | CAH | CAT | CAN | 179.7° | 179.8° |
| CAG | CAH | CAT | CAU | 0.2° | 0.2° |
| CAG | CAS | SAX | CAK | 178.0° | 179.5° |
| CAG | CAS | SAX | OAB | 174.1° | 156.5° |
| CAS | CAG | CAH | CAT | 0.5° | 0.2° |
| CAG | CAS | CAK | CAU | 0.7° | 0.6° |
| CAG | CAS | CAK | H1 | 179.4° | 179.7° |
| CAS | CAG | CAH | H10 | 179.5° | 179.8° |
| SAX | CAS | CAK | CAU | 178.7° | 179.9° |
| SAX | CAS | CAK | H1 | 1.3° | 0.2° |
| SAX | CAS | CAG | H11 | 1.3° | 0.1° |
| CAS | SAX | NAP | H12 | 129.5° | 119.8° |
| OAB | SAX | CAS | CAK | 4.0° | 23.1° |
| OAB | SAX | NAP | H12 | 11.3° | 126.6° |
| CAH | CAT | CAN | CAU | 179.5° | 180.0° |
| CAH | CAT | CAN | CAL | 166.5° | 162.4° |
| CAH | CAT | CAU | CAK | 0.2° | 0.3° |
| CAH | CAT | CAU | CAO | 179.4° | 179.5° |
| CAH | CAT | CAN | H8 | 46.2° | 42.1° |
| CAH | CAT | CAN | H9 | 73.2° | 77.3° |
| CAT | CAH | CAG | H11 | 179.6° | 180.0° |
| CAS | CAK | CAU | CAT | 0.4° | 0.1° |
| CAS | CAK | CAU | H1 | 180.0° | 179.7° |
| CAS | CAK | CAU | CAO | 179.2° | 179.9° |
| CAK | CAS | CAG | H11 | 179.4° | 179.6° |
| CAT | CAN | CAL | H8 | 120.3° | 120.3° |
| CAT | CAN | CAL | H9 | 120.3° | 120.2° |
| CAN | CAT | CAU | CAK | 179.7° | 179.7° |
| CAN | CAT | CAU | CAO | 0.1° | 0.5° |
| CAT | CAN | CAL | CAM | 43.7° | 51.1° |
| CAT | CAN | CAL | H6 | 76.6° | 68.7° |
| CAT | CAN | CAL | H7 | 164.0° | 170.8° |
| CAT | CAN | H8 | H9 | 119.1° | 119.4° |
| CAN | CAT | CAH | H10 | 0.2° | 0.2° |
| CAU | CAT | CAN | CAL | 13.0° | 17.6° |
| CAT | CAU | CAK | CAO | 179.6° | 179.8° |
| CAT | CAU | CAO | CAM | 18.0° | 17.6° |
| CAT | CAU | CAK | H1 | 179.6° | 179.8° |
| CAT | CAU | CAO | H2 | 138.2° | 102.7° |
| CAT | CAU | CAO | H3 | 102.2° | 137.9° |
| CAU | CAT | CAN | H8 | 133.3° | 137.9° |
| CAU | CAT | CAN | H9 | 107.3° | 102.7° |
| CAU | CAT | CAH | H10 | 179.8° | 179.8° |
| CAN | CAL | CAM | H6 | 120.3° | 119.7° |
| CAN | CAL | CAM | H7 | 120.3° | 119.8° |
| CAN | CAL | CAM | CAO | 64.1° | 69.9° |
| CAN | CAL | CAM | H4 | 175.6° | 170.4° |
| CAN | CAL | CAM | H5 | 56.2° | 49.9° |
| CAN | CAL | H6 | H7 | 119.2° | 120.6° |
| CAL | CAN | H8 | H9 | 119.1° | 119.5° |
| CAK | CAU | CAO | CAM | 162.4° | 162.5° |
| CAK | CAU | CAO | H2 | 42.2° | 77.1° |
| CAK | CAU | CAO | H3 | 77.5° | 42.3° |
| CAU | CAO | CAM | CAL | 48.9° | 51.1° |
| CAU | CAO | CAM | H2 | 120.2° | 120.3° |
| CAU | CAO | CAM | H3 | 120.2° | 120.3° |
| CAO | CAU | CAK | H1 | 0.8° | 0.3° |
| CAU | CAO | H2 | H3 | 119.5° | 119.4° |
| CAU | CAO | CAM | H4 | 169.2° | 170.8° |
| CAU | CAO | CAM | H5 | 71.4° | 68.7° |
| CAL | CAM | CAO | H4 | 120.3° | 119.7° |
| CAL | CAM | CAO | H5 | 120.3° | 119.8° |
| CAL | CAM | CAO | H2 | 169.1° | 69.2° |
| CAL | CAM | CAO | H3 | 71.3° | 171.4° |
| CAL | CAM | H4 | H5 | 119.1° | 120.6° |
| CAM | CAL | H6 | H7 | 119.2° | 120.5° |
| CAM | CAL | CAN | H8 | 164.0° | 171.3° |
| CAM | CAL | CAN | H9 | 76.6° | 69.2° |
| CAM | CAO | H2 | H3 | 119.5° | 119.4° |
| CAO | CAM | H4 | H5 | 119.2° | 120.6° |
| CAO | CAM | CAL | H6 | 56.1° | 49.8° |
| CAO | CAM | CAL | H7 | 175.6° | 170.3° |
| H2 | CAO | CAM | H4 | 70.6° | 50.5° |
| H2 | CAO | CAM | H5 | 48.8° | 171.0° |
| H3 | CAO | CAM | H4 | 49.0° | 68.9° |
| H3 | CAO | CAM | H5 | 168.4° | 51.6° |
| H4 | CAM | CAL | H6 | 64.2° | 69.9° |
| H4 | CAM | CAL | H7 | 55.3° | 50.6° |
| H5 | CAM | CAL | H6 | 176.4° | 169.6° |
| H5 | CAM | CAL | H7 | 64.1° | 69.9° |
| H6 | CAL | CAN | H8 | 43.7° | 51.6° |
| H6 | CAL | CAN | H9 | 163.1° | 171.1° |
| H7 | CAL | CAN | H8 | 75.7° | 68.9° |
| H7 | CAL | CAN | H9 | 43.7° | 50.5° |
| H10 | CAH | CAG | H11 | 0.4° | 0.0° |
| H13 | CAI | CAF | H14 | 2.5° | 0.1° |
