UZX
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| NAA | CAO | sing | 1.35Å | 1.44Å | |
| CAO | OAB | doub | 1.22Å | 1.19Å | |
| CAO | CAU | sing | 1.48Å | 1.55Å | |
| CAI | CAU | doub | 1.40Å | 1.40Å | Aromatic |
| CAI | CAG | sing | 1.38Å | 1.39Å | Aromatic |
| CAU | CAT | sing | 1.40Å | 1.41Å | Aromatic |
| CAG | CAF | doub | 1.38Å | 1.40Å | Aromatic |
| CAT | NAN | sing | 1.39Å | 1.45Å | |
| CAT | CAH | doub | 1.39Å | 1.40Å | Aromatic |
| CAF | CAH | sing | 1.38Å | 1.39Å | Aromatic |
| NAN | CAP | sing | 1.35Å | 1.44Å | |
| CAP | NAM | sing | 1.35Å | 1.45Å | |
| CAP | OAC | doub | 1.22Å | 1.19Å | |
| NAM | CAS | sing | 1.40Å | 1.45Å | |
| CAK | CAS | doub | 1.39Å | 1.38Å | Aromatic |
| CAK | CAQ | sing | 1.38Å | 1.38Å | Aromatic |
| CAS | CAL | sing | 1.39Å | 1.40Å | Aromatic |
| CLAD | CAQ | sing | 1.74Å | 1.75Å | |
| CAQ | CAJ | doub | 1.38Å | 1.37Å | Aromatic |
| CAL | CAR | doub | 1.38Å | 1.39Å | Aromatic |
| CAJ | CAR | sing | 1.38Å | 1.37Å | Aromatic |
| CAR | CLAE | sing | 1.74Å | 1.75Å | |
| CAK | H1 | sing | 1.08Å | 1.08Å | |
| CAJ | H2 | sing | 1.08Å | 1.08Å | |
| CAL | H3 | sing | 1.08Å | 1.08Å | |
| NAM | H4 | sing | 0.97Å | 1.00Å | |
| NAN | H5 | sing | 0.97Å | 1.00Å | |
| CAH | H6 | sing | 1.08Å | 1.08Å | |
| CAF | H7 | sing | 1.08Å | 1.08Å | |
| CAG | H8 | sing | 1.08Å | 1.08Å | |
| CAI | H9 | sing | 1.08Å | 1.08Å | |
| NAA | H10 | sing | 0.97Å | 1.00Å | |
| NAA | H11 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| NAA | CAO | OAB | 116.1° | 120.1° |
| NAA | CAO | CAU | 120.7° | 120.0° |
| CAO | NAA | H10 | 120.0° | 120.0° |
| CAO | NAA | H11 | 120.0° | 120.0° |
| OAB | CAO | CAU | 123.1° | 120.0° |
| CAO | CAU | CAI | 119.3° | 120.2° |
| CAO | CAU | CAT | 121.8° | 120.2° |
| CAU | CAI | CAG | 120.4° | 119.9° |
| CAI | CAU | CAT | 118.8° | 119.6° |
| CAU | CAI | H9 | 119.8° | 120.0° |
| CAI | CAG | CAF | 120.5° | 120.3° |
| CAI | CAG | H8 | 119.8° | 119.8° |
| CAG | CAI | H9 | 119.8° | 120.1° |
| CAU | CAT | NAN | 116.4° | 120.2° |
| CAU | CAT | CAH | 120.3° | 119.7° |
| CAG | CAF | CAH | 119.7° | 120.5° |
| CAG | CAF | H7 | 120.2° | 119.8° |
| CAF | CAG | H8 | 119.8° | 119.9° |
| NAN | CAT | CAH | 122.5° | 120.1° |
| CAT | NAN | CAP | 128.8° | 120.0° |
| CAT | NAN | H5 | 115.6° | 120.0° |
| CAT | CAH | CAF | 120.1° | 120.0° |
| CAT | CAH | H6 | 120.0° | 120.0° |
| CAF | CAH | H6 | 120.0° | 120.0° |
| CAH | CAF | H7 | 120.1° | 119.8° |
| NAN | CAP | NAM | 115.3° | 120.0° |
| NAN | CAP | OAC | 122.8° | 120.0° |
| CAP | NAN | H5 | 115.6° | 120.0° |
| NAM | CAP | OAC | 121.8° | 120.0° |
| CAP | NAM | CAS | 123.1° | 120.0° |
| CAP | NAM | H4 | 118.4° | 120.0° |
| NAM | CAS | CAK | 116.8° | 120.0° |
| NAM | CAS | CAL | 123.7° | 120.0° |
| CAS | NAM | H4 | 118.5° | 120.0° |
| CAS | CAK | CAQ | 119.6° | 119.9° |
| CAK | CAS | CAL | 118.9° | 119.9° |
| CAS | CAK | H1 | 120.2° | 120.0° |
| CAK | CAQ | CLAD | 118.5° | 119.9° |
| CAK | CAQ | CAJ | 122.5° | 120.1° |
| CAQ | CAK | H1 | 120.2° | 120.1° |
| CAS | CAL | CAR | 119.2° | 119.9° |
| CAS | CAL | H3 | 120.4° | 120.0° |
| CLAD | CAQ | CAJ | 118.8° | 120.0° |
| CAQ | CAJ | CAR | 117.3° | 120.1° |
| CAQ | CAJ | H2 | 121.3° | 120.0° |
| CAL | CAR | CAJ | 121.9° | 120.1° |
| CAL | CAR | CLAE | 119.7° | 120.0° |
| CAR | CAL | H3 | 120.4° | 120.1° |
| CAJ | CAR | CLAE | 118.3° | 119.9° |
| CAR | CAJ | H2 | 121.3° | 120.0° |
| H10 | NAA | H11 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| NAA | CAO | OAB | CAU | 176.1° | 180.0° |
| NAA | CAO | CAU | CAI | 2.0° | 6.0° |
| NAA | CAO | CAU | CAT | 177.9° | 174.5° |
| CAO | NAA | H10 | H11 | 180.0° | 179.9° |
| OAB | CAO | CAU | CAI | 177.9° | 174.0° |
| OAB | CAO | CAU | CAT | 6.1° | 5.4° |
| OAB | CAO | NAA | H10 | 0.0° | 0.1° |
| OAB | CAO | NAA | H11 | 180.0° | 180.0° |
| CAO | CAU | CAI | CAT | 176.1° | 179.5° |
| CAO | CAU | CAI | CAG | 178.8° | 180.0° |
| CAO | CAU | CAT | NAN | 8.8° | 0.3° |
| CAO | CAU | CAT | CAH | 179.3° | 180.0° |
| CAO | CAU | CAI | H9 | 1.2° | 0.6° |
| CAU | CAO | NAA | H10 | 176.2° | 180.0° |
| CAU | CAO | NAA | H11 | 3.8° | 0.1° |
| CAU | CAI | CAG | H9 | 180.0° | 179.4° |
| CAU | CAI | CAG | CAF | 1.1° | 0.3° |
| CAI | CAU | CAT | NAN | 175.3° | 179.7° |
| CAI | CAU | CAT | CAH | 4.7° | 0.5° |
| CAU | CAI | CAG | H8 | 179.0° | 179.7° |
| CAG | CAI | CAU | CAT | 2.8° | 0.6° |
| CAI | CAG | CAF | H8 | 180.0° | 180.0° |
| CAI | CAG | CAF | CAH | 1.2° | 0.0° |
| CAI | CAG | CAF | H7 | 178.8° | 180.0° |
| CAU | CAT | NAN | CAH | 170.3° | 179.8° |
| CAU | CAT | CAH | CAF | 4.9° | 0.2° |
| CAU | CAT | NAN | CAP | 146.0° | 152.5° |
| CAU | CAT | NAN | H5 | 33.9° | 27.4° |
| CAU | CAT | CAH | H6 | 175.0° | 179.7° |
| CAT | CAU | CAI | H9 | 177.2° | 180.0° |
| CAG | CAF | CAH | CAT | 3.1° | 0.0° |
| CAG | CAF | CAH | H7 | 180.0° | 180.0° |
| CAG | CAF | CAH | H6 | 176.8° | 180.0° |
| CAF | CAG | CAI | H9 | 179.0° | 179.7° |
| NAN | CAT | CAH | CAF | 174.9° | 180.0° |
| CAT | NAN | CAP | H5 | 180.0° | 179.9° |
| CAT | NAN | CAP | NAM | 174.0° | 174.7° |
| CAT | NAN | CAP | OAC | 7.6° | 5.4° |
| NAN | CAT | CAH | H6 | 5.1° | 0.0° |
| CAT | CAH | CAF | H6 | 180.0° | 180.0° |
| CAH | CAT | NAN | CAP | 24.3° | 27.7° |
| CAH | CAT | NAN | H5 | 155.8° | 152.4° |
| CAT | CAH | CAF | H7 | 176.9° | 180.0° |
| CAH | CAF | CAG | H8 | 178.8° | 180.0° |
| NAN | CAP | NAM | OAC | 178.4° | 180.0° |
| NAN | CAP | NAM | CAS | 179.3° | 174.8° |
| NAN | CAP | NAM | H4 | 0.7° | 5.2° |
| CAP | NAM | CAS | H4 | 180.0° | 180.0° |
| CAP | NAM | CAS | CAK | 166.4° | 33.2° |
| CAP | NAM | CAS | CAL | 4.7° | 146.8° |
| NAM | CAP | NAN | H5 | 6.0° | 5.4° |
| OAC | CAP | NAM | CAS | 2.3° | 5.2° |
| OAC | CAP | NAM | H4 | 177.7° | 174.8° |
| OAC | CAP | NAN | H5 | 172.4° | 174.6° |
| NAM | CAS | CAK | CAL | 171.6° | 179.9° |
| NAM | CAS | CAK | CAQ | 179.9° | 179.9° |
| NAM | CAS | CAL | CAR | 178.6° | 180.0° |
| NAM | CAS | CAK | H1 | 0.1° | 0.3° |
| NAM | CAS | CAL | H3 | 1.4° | 0.1° |
| CAS | CAK | CAQ | H1 | 180.0° | 179.7° |
| CAS | CAK | CAQ | CLAD | 179.6° | 180.0° |
| CAS | CAK | CAQ | CAJ | 5.5° | 0.0° |
| CAK | CAS | CAL | CAR | 7.7° | 0.0° |
| CAK | CAS | CAL | H3 | 172.4° | 179.9° |
| CAK | CAS | NAM | H4 | 13.6° | 146.8° |
| CAQ | CAK | CAS | CAL | 8.3° | 0.0° |
| CAK | CAQ | CLAD | CAJ | 175.1° | 180.0° |
| CAK | CAQ | CAJ | CAR | 1.9° | 0.1° |
| CAK | CAQ | CAJ | H2 | 178.1° | 180.0° |
| CAS | CAL | CAR | H3 | 180.0° | 179.9° |
| CAS | CAL | CAR | CAJ | 4.2° | 0.0° |
| CAS | CAL | CAR | CLAE | 176.5° | 179.9° |
| CAL | CAS | CAK | H1 | 171.7° | 179.7° |
| CAL | CAS | NAM | H4 | 175.3° | 33.2° |
| CLAD | CAQ | CAJ | CAR | 176.8° | 180.0° |
| CLAD | CAQ | CAK | H1 | 0.4° | 0.3° |
| CLAD | CAQ | CAJ | H2 | 3.2° | 0.0° |
| CAQ | CAJ | CAR | CAL | 1.3° | 0.0° |
| CAQ | CAJ | CAR | H2 | 180.0° | 180.0° |
| CAQ | CAJ | CAR | CLAE | 179.5° | 180.0° |
| CAJ | CAQ | CAK | H1 | 174.5° | 179.7° |
| CAL | CAR | CAJ | CLAE | 179.2° | 179.9° |
| CAL | CAR | CAJ | H2 | 178.7° | 180.0° |
| CAJ | CAR | CAL | H3 | 175.8° | 179.9° |
| CLAE | CAR | CAJ | H2 | 0.5° | 0.1° |
| CLAE | CAR | CAL | H3 | 3.4° | 0.0° |
| H6 | CAH | CAF | H7 | 3.1° | 0.0° |
| H7 | CAF | CAG | H8 | 1.2° | 0.0° |
| H8 | CAG | CAI | H9 | 1.0° | 0.3° |
