68Q
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CL2 | CAS | sing | 1.74Å | 1.76Å | |
| CL1 | CAT | sing | 1.74Å | 1.69Å | |
| CAS | CAT | doub | 1.38Å | 1.38Å | Aromatic |
| CAS | CAJ | sing | 1.38Å | 1.37Å | Aromatic |
| CAT | CAK | sing | 1.38Å | 1.37Å | Aromatic |
| CAJ | CAI | doub | 1.38Å | 1.39Å | Aromatic |
| CAK | CAR | doub | 1.39Å | 1.40Å | Aromatic |
| CAI | CAR | sing | 1.39Å | 1.40Å | Aromatic |
| CAR | NAN | sing | 1.40Å | 1.34Å | |
| NAN | CAP | sing | 1.35Å | 1.35Å | |
| CAP | OAB | doub | 1.22Å | 1.23Å | |
| CAP | NAM | sing | 1.35Å | 1.37Å | |
| NAM | CAQ | sing | 1.40Å | 1.37Å | |
| CAQ | CAG | doub | 1.39Å | 1.40Å | Aromatic |
| CAQ | CAL | sing | 1.39Å | 1.40Å | Aromatic |
| CAG | CAF | sing | 1.38Å | 1.40Å | Aromatic |
| CAL | CAU | doub | 1.40Å | 1.40Å | Aromatic |
| OAC | CAO | doub | 1.22Å | 1.26Å | |
| CAF | CAH | doub | 1.38Å | 1.40Å | Aromatic |
| CAU | CAO | sing | 1.48Å | 1.40Å | |
| CAU | CAH | sing | 1.40Å | 1.39Å | Aromatic |
| CAO | OAA | sing | 1.35Å | 1.25Å | |
| OAA | H1 | sing | 0.97Å | 0.95Å | |
| CAL | H2 | sing | 1.08Å | 1.08Å | |
| CAH | H3 | sing | 1.08Å | 1.08Å | |
| CAF | H4 | sing | 1.08Å | 1.08Å | |
| CAG | H5 | sing | 1.08Å | 1.08Å | |
| NAM | H6 | sing | 0.97Å | 1.00Å | |
| NAN | H7 | sing | 0.97Å | 1.00Å | |
| CAK | H8 | sing | 1.08Å | 1.08Å | |
| CAJ | H9 | sing | 1.08Å | 1.08Å | |
| CAI | H10 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CL2 | CAS | CAT | 119.6° | 120.0° |
| CL2 | CAS | CAJ | 120.3° | 119.9° |
| CL1 | CAT | CAS | 119.1° | 119.9° |
| CL1 | CAT | CAK | 119.9° | 120.0° |
| CAT | CAS | CAJ | 120.1° | 120.1° |
| CAS | CAT | CAK | 120.9° | 120.0° |
| CAS | CAJ | CAI | 120.0° | 120.0° |
| CAS | CAJ | H9 | 120.0° | 120.0° |
| CAT | CAK | CAR | 119.8° | 120.0° |
| CAT | CAK | H8 | 120.1° | 120.0° |
| CAJ | CAI | CAR | 120.1° | 120.0° |
| CAI | CAJ | H9 | 120.0° | 120.0° |
| CAJ | CAI | H10 | 120.0° | 120.0° |
| CAK | CAR | CAI | 119.0° | 119.9° |
| CAK | CAR | NAN | 115.4° | 120.1° |
| CAR | CAK | H8 | 120.1° | 120.0° |
| CAI | CAR | NAN | 125.6° | 120.1° |
| CAR | CAI | H10 | 119.9° | 120.0° |
| CAR | NAN | CAP | 123.0° | 120.0° |
| CAR | NAN | H7 | 118.5° | 120.0° |
| NAN | CAP | OAB | 121.6° | 120.0° |
| NAN | CAP | NAM | 114.0° | 120.0° |
| CAP | NAN | H7 | 118.5° | 120.0° |
| OAB | CAP | NAM | 124.2° | 120.0° |
| CAP | NAM | CAQ | 125.0° | 120.0° |
| CAP | NAM | H6 | 117.5° | 120.0° |
| NAM | CAQ | CAG | 126.0° | 120.0° |
| NAM | CAQ | CAL | 117.5° | 120.0° |
| CAQ | NAM | H6 | 117.5° | 120.0° |
| CAG | CAQ | CAL | 116.5° | 120.0° |
| CAQ | CAG | CAF | 120.6° | 120.3° |
| CAQ | CAG | H5 | 119.7° | 119.9° |
| CAQ | CAL | CAU | 123.3° | 119.8° |
| CAQ | CAL | H2 | 118.4° | 120.1° |
| CAG | CAF | CAH | 121.5° | 120.2° |
| CAG | CAF | H4 | 119.2° | 119.9° |
| CAF | CAG | H5 | 119.7° | 119.8° |
| CAL | CAU | CAO | 120.1° | 120.1° |
| CAL | CAU | CAH | 119.0° | 119.8° |
| CAU | CAL | H2 | 118.4° | 120.1° |
| OAC | CAO | CAU | 120.6° | 120.0° |
| OAC | CAO | OAA | 119.1° | 120.0° |
| CAF | CAH | CAU | 119.1° | 119.9° |
| CAF | CAH | H3 | 120.4° | 120.1° |
| CAH | CAF | H4 | 119.3° | 119.8° |
| CAO | CAU | CAH | 120.9° | 120.1° |
| CAU | CAO | OAA | 120.2° | 120.0° |
| CAU | CAH | H3 | 120.4° | 120.0° |
| CAO | OAA | H1 | 109.5° | 117.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CL2 | CAS | CAT | CL1 | 2.1° | 0.1° |
| CL2 | CAS | CAT | CAJ | 178.2° | 179.9° |
| CL2 | CAS | CAT | CAK | 178.4° | 180.0° |
| CL2 | CAS | CAJ | CAI | 179.0° | 179.7° |
| CL2 | CAS | CAJ | H9 | 1.0° | 0.1° |
| CL1 | CAT | CAS | CAK | 179.5° | 180.0° |
| CL1 | CAT | CAS | CAJ | 179.7° | 180.0° |
| CL1 | CAT | CAK | CAR | 178.8° | 180.0° |
| CL1 | CAT | CAK | H8 | 1.2° | 0.0° |
| CAT | CAS | CAJ | CAI | 0.8° | 0.2° |
| CAS | CAT | CAK | CAR | 0.7° | 0.0° |
| CAS | CAT | CAK | H8 | 179.3° | 180.0° |
| CAT | CAS | CAJ | H9 | 179.2° | 180.0° |
| CAJ | CAS | CAT | CAK | 0.2° | 0.1° |
| CAS | CAJ | CAI | H9 | 180.0° | 179.8° |
| CAS | CAJ | CAI | CAR | 0.6° | 0.5° |
| CAS | CAJ | CAI | H10 | 179.4° | 180.0° |
| CAT | CAK | CAR | H8 | 180.0° | 180.0° |
| CAT | CAK | CAR | CAI | 0.9° | 0.3° |
| CAT | CAK | CAR | NAN | 178.7° | 179.9° |
| CAJ | CAI | CAR | CAK | 0.3° | 0.6° |
| CAJ | CAI | CAR | H10 | 180.0° | 179.4° |
| CAJ | CAI | CAR | NAN | 177.8° | 179.8° |
| CAK | CAR | CAI | NAN | 177.5° | 179.7° |
| CAK | CAR | NAN | CAP | 144.0° | 33.1° |
| CAK | CAR | NAN | H7 | 36.0° | 146.9° |
| CAK | CAR | CAI | H10 | 179.7° | 180.0° |
| CAI | CAR | NAN | CAP | 33.6° | 147.3° |
| CAI | CAR | NAN | H7 | 146.4° | 32.8° |
| CAI | CAR | CAK | H8 | 179.1° | 179.7° |
| CAR | CAI | CAJ | H9 | 179.4° | 179.6° |
| CAR | NAN | CAP | H7 | 180.0° | 179.9° |
| CAR | NAN | CAP | OAB | 7.1° | 5.3° |
| CAR | NAN | CAP | NAM | 177.1° | 174.8° |
| NAN | CAR | CAK | H8 | 1.3° | 0.0° |
| NAN | CAR | CAI | H10 | 2.2° | 0.3° |
| NAN | CAP | OAB | NAM | 175.3° | 179.9° |
| NAN | CAP | NAM | CAQ | 179.6° | 174.8° |
| NAN | CAP | NAM | H6 | 0.4° | 5.2° |
| OAB | CAP | NAM | CAQ | 4.7° | 5.1° |
| OAB | CAP | NAM | H6 | 175.2° | 174.9° |
| OAB | CAP | NAN | H7 | 172.8° | 174.8° |
| CAP | NAM | CAQ | H6 | 180.0° | 180.0° |
| CAP | NAM | CAQ | CAG | 4.5° | 146.9° |
| CAP | NAM | CAQ | CAL | 176.9° | 33.4° |
| NAM | CAP | NAN | H7 | 2.9° | 5.1° |
| NAM | CAQ | CAG | CAL | 178.6° | 179.7° |
| NAM | CAQ | CAG | CAF | 179.9° | 179.9° |
| NAM | CAQ | CAL | CAU | 179.9° | 179.7° |
| NAM | CAQ | CAL | H2 | 0.1° | 0.3° |
| NAM | CAQ | CAG | H5 | 0.1° | 0.3° |
| CAQ | CAG | CAF | H5 | 180.0° | 179.7° |
| CAG | CAQ | CAL | CAU | 1.2° | 0.0° |
| CAQ | CAG | CAF | CAH | 0.7° | 0.2° |
| CAG | CAQ | CAL | H2 | 178.9° | 180.0° |
| CAQ | CAG | CAF | H4 | 179.3° | 179.7° |
| CAG | CAQ | NAM | H6 | 175.5° | 33.1° |
| CAL | CAQ | CAG | CAF | 1.2° | 0.2° |
| CAQ | CAL | CAU | H2 | 180.0° | 180.0° |
| CAQ | CAL | CAU | CAO | 179.9° | 180.0° |
| CAQ | CAL | CAU | CAH | 0.5° | 0.2° |
| CAL | CAQ | CAG | H5 | 178.8° | 180.0° |
| CAL | CAQ | NAM | H6 | 3.1° | 146.7° |
| CAG | CAF | CAH | H4 | 180.0° | 179.9° |
| CAG | CAF | CAH | CAU | 0.0° | 0.0° |
| CAG | CAF | CAH | H3 | 180.0° | 179.9° |
| CAL | CAU | CAO | OAC | 20.9° | 0.3° |
| CAL | CAU | CAH | CAF | 0.1° | 0.3° |
| CAL | CAU | CAO | CAH | 179.6° | 179.8° |
| CAL | CAU | CAO | OAA | 156.4° | 179.7° |
| CAL | CAU | CAH | H3 | 179.9° | 179.7° |
| OAC | CAO | CAU | OAA | 177.3° | 180.0° |
| OAC | CAO | CAU | CAH | 159.4° | 180.0° |
| OAC | CAO | OAA | H1 | 0.0° | 0.0° |
| CAF | CAH | CAU | CAO | 179.5° | 180.0° |
| CAF | CAH | CAU | H3 | 180.0° | 180.0° |
| CAH | CAF | CAG | H5 | 179.3° | 179.9° |
| CAU | CAO | OAA | H1 | 177.4° | 180.0° |
| CAO | CAU | CAL | H2 | 0.1° | 0.0° |
| CAO | CAU | CAH | H3 | 0.5° | 0.0° |
| CAH | CAU | CAO | OAA | 23.2° | 0.0° |
| CAH | CAU | CAL | H2 | 179.5° | 179.8° |
| CAU | CAH | CAF | H4 | 180.0° | 179.9° |
| H3 | CAH | CAF | H4 | 0.0° | 0.0° |
| H4 | CAF | CAG | H5 | 0.7° | 0.0° |
| H9 | CAJ | CAI | H10 | 0.6° | 0.2° |
