UZ3
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CLAF | CAS | sing | 1.74Å | 1.76Å | |
| CAS | CAI | doub | 1.38Å | 1.38Å | Aromatic |
| CAS | CAK | sing | 1.38Å | 1.38Å | Aromatic |
| CAI | CAR | sing | 1.38Å | 1.38Å | Aromatic |
| CAK | CAT | doub | 1.39Å | 1.38Å | Aromatic |
| CAR | CLAE | sing | 1.74Å | 1.74Å | |
| CAR | CAJ | doub | 1.38Å | 1.39Å | Aromatic |
| CAT | CAJ | sing | 1.39Å | 1.39Å | Aromatic |
| CAT | NAM | sing | 1.40Å | 1.43Å | |
| NAM | CAQ | sing | 1.35Å | 1.43Å | |
| OAC | CAP | doub | 1.22Å | 1.19Å | |
| CAQ | NAN | sing | 1.35Å | 1.43Å | |
| CAQ | OAD | doub | 1.22Å | 1.20Å | |
| CAP | NAB | sing | 1.35Å | 1.44Å | |
| CAP | CAW | sing | 1.47Å | 1.54Å | |
| NAN | CAV | sing | 1.39Å | 1.44Å | |
| CAW | CAV | doub | 1.40Å | 1.40Å | Aromatic |
| CAW | CAH | sing | 1.40Å | 1.39Å | Aromatic |
| CAV | CAL | sing | 1.39Å | 1.40Å | Aromatic |
| CAL | CAU | doub | 1.39Å | 1.39Å | Aromatic |
| CAH | CAG | doub | 1.38Å | 1.39Å | Aromatic |
| CAU | CAG | sing | 1.39Å | 1.40Å | Aromatic |
| CAU | OAO | sing | 1.36Å | 1.41Å | |
| CAA | OAO | sing | 1.43Å | 1.41Å | |
| CAJ | H1 | sing | 1.08Å | 1.08Å | |
| CAI | H2 | sing | 1.08Å | 1.08Å | |
| CAK | H3 | sing | 1.08Å | 1.08Å | |
| NAM | H4 | sing | 0.97Å | 1.00Å | |
| NAN | H5 | sing | 0.97Å | 1.00Å | |
| CAL | H6 | sing | 1.08Å | 1.08Å | |
| CAA | H7 | sing | 1.09Å | 1.10Å | |
| CAA | H8 | sing | 1.09Å | 1.10Å | |
| CAA | H9 | sing | 1.09Å | 1.10Å | |
| CAG | H10 | sing | 1.08Å | 1.08Å | |
| CAH | H11 | sing | 1.08Å | 1.08Å | |
| NAB | H12 | sing | 0.97Å | 1.00Å | |
| NAB | H13 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CLAF | CAS | CAI | 120.0° | 120.0° |
| CLAF | CAS | CAK | 118.7° | 120.0° |
| CAI | CAS | CAK | 121.3° | 120.1° |
| CAS | CAI | CAR | 117.9° | 120.1° |
| CAS | CAI | H2 | 121.1° | 120.0° |
| CAS | CAK | CAT | 119.4° | 119.9° |
| CAS | CAK | H3 | 120.3° | 120.0° |
| CAI | CAR | CLAE | 118.0° | 120.0° |
| CAI | CAR | CAJ | 122.6° | 120.0° |
| CAR | CAI | H2 | 121.0° | 119.9° |
| CAK | CAT | CAJ | 120.1° | 119.9° |
| CAK | CAT | NAM | 114.3° | 120.0° |
| CAT | CAK | H3 | 120.3° | 120.0° |
| CLAE | CAR | CAJ | 119.4° | 120.0° |
| CAR | CAJ | CAT | 117.5° | 120.0° |
| CAR | CAJ | H1 | 121.2° | 120.0° |
| CAJ | CAT | NAM | 123.4° | 120.1° |
| CAT | CAJ | H1 | 121.2° | 120.0° |
| CAT | NAM | CAQ | 124.4° | 120.0° |
| CAT | NAM | H4 | 117.8° | 120.0° |
| NAM | CAQ | NAN | 111.0° | 120.0° |
| NAM | CAQ | OAD | 124.6° | 120.0° |
| CAQ | NAM | H4 | 117.8° | 120.0° |
| OAC | CAP | NAB | 117.3° | 120.0° |
| OAC | CAP | CAW | 121.9° | 120.0° |
| NAN | CAQ | OAD | 124.4° | 120.0° |
| CAQ | NAN | CAV | 127.7° | 120.0° |
| CAQ | NAN | H5 | 116.1° | 120.0° |
| NAB | CAP | CAW | 120.8° | 120.0° |
| CAP | NAB | H12 | 120.0° | 120.0° |
| CAP | NAB | H13 | 120.0° | 120.0° |
| CAP | CAW | CAV | 120.8° | 120.1° |
| CAP | CAW | CAH | 119.9° | 120.2° |
| NAN | CAV | CAW | 117.5° | 120.1° |
| NAN | CAV | CAL | 120.3° | 120.1° |
| CAV | NAN | H5 | 116.1° | 120.0° |
| CAV | CAW | CAH | 119.0° | 119.7° |
| CAW | CAV | CAL | 120.2° | 119.7° |
| CAW | CAH | CAG | 119.9° | 120.0° |
| CAW | CAH | H11 | 120.0° | 120.0° |
| CAV | CAL | CAU | 120.1° | 120.0° |
| CAV | CAL | H6 | 119.9° | 120.0° |
| CAL | CAU | CAG | 119.0° | 120.3° |
| CAL | CAU | OAO | 121.7° | 119.8° |
| CAU | CAL | H6 | 119.9° | 120.0° |
| CAH | CAG | CAU | 120.9° | 120.3° |
| CAH | CAG | H10 | 119.5° | 119.8° |
| CAG | CAH | H11 | 120.0° | 120.0° |
| CAG | CAU | OAO | 119.1° | 119.8° |
| CAU | CAG | H10 | 119.6° | 119.9° |
| CAU | OAO | CAA | 119.8° | 117.0° |
| OAO | CAA | H7 | 109.5° | 109.5° |
| OAO | CAA | H8 | 109.4° | 109.5° |
| OAO | CAA | H9 | 109.5° | 109.5° |
| H7 | CAA | H8 | 109.5° | 109.5° |
| H7 | CAA | H9 | 109.5° | 109.5° |
| H8 | CAA | H9 | 109.5° | 109.5° |
| H12 | NAB | H13 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CLAF | CAS | CAI | CAK | 178.9° | 180.0° |
| CLAF | CAS | CAI | CAR | 179.7° | 180.0° |
| CLAF | CAS | CAK | CAT | 174.3° | 179.7° |
| CLAF | CAS | CAI | H2 | 0.3° | 0.0° |
| CLAF | CAS | CAK | H3 | 5.7° | 0.0° |
| CAS | CAI | CAR | H2 | 180.0° | 180.0° |
| CAI | CAS | CAK | CAT | 6.8° | 0.4° |
| CAS | CAI | CAR | CLAE | 179.9° | 180.0° |
| CAS | CAI | CAR | CAJ | 1.8° | 0.0° |
| CAI | CAS | CAK | H3 | 173.2° | 180.0° |
| CAK | CAS | CAI | CAR | 1.3° | 0.0° |
| CAS | CAK | CAT | H3 | 180.0° | 179.7° |
| CAS | CAK | CAT | CAJ | 12.6° | 0.6° |
| CAS | CAK | CAT | NAM | 176.3° | 179.9° |
| CAK | CAS | CAI | H2 | 178.7° | 179.9° |
| CAI | CAR | CLAE | CAJ | 178.2° | 180.0° |
| CAI | CAR | CAJ | CAT | 7.4° | 0.2° |
| CAI | CAR | CAJ | H1 | 172.6° | 180.0° |
| CAK | CAT | CAJ | CAR | 12.8° | 0.5° |
| CAK | CAT | CAJ | NAM | 162.2° | 179.5° |
| CAK | CAT | NAM | CAQ | 163.7° | 145.0° |
| CAK | CAT | CAJ | H1 | 167.2° | 179.7° |
| CAK | CAT | NAM | H4 | 16.3° | 35.1° |
| CLAE | CAR | CAJ | CAT | 174.5° | 179.7° |
| CLAE | CAR | CAJ | H1 | 5.5° | 0.0° |
| CLAE | CAR | CAI | H2 | 0.1° | 0.1° |
| CAR | CAJ | CAT | H1 | 180.0° | 179.7° |
| CAR | CAJ | CAT | NAM | 175.0° | 180.0° |
| CAJ | CAR | CAI | H2 | 178.2° | 180.0° |
| CAJ | CAT | NAM | CAQ | 0.6° | 35.6° |
| CAJ | CAT | CAK | H3 | 167.4° | 179.7° |
| CAJ | CAT | NAM | H4 | 179.4° | 144.4° |
| CAT | NAM | CAQ | H4 | 180.0° | 179.9° |
| CAT | NAM | CAQ | NAN | 172.4° | 175.5° |
| CAT | NAM | CAQ | OAD | 7.7° | 4.6° |
| NAM | CAT | CAJ | H1 | 5.0° | 0.3° |
| NAM | CAT | CAK | H3 | 3.6° | 0.3° |
| NAM | CAQ | NAN | OAD | 179.9° | 180.0° |
| NAM | CAQ | NAN | CAV | 176.1° | 175.5° |
| NAM | CAQ | NAN | H5 | 3.9° | 4.6° |
| OAC | CAP | NAB | CAW | 179.5° | 180.0° |
| OAC | CAP | CAW | CAV | 9.5° | 4.9° |
| OAC | CAP | CAW | CAH | 176.7° | 174.8° |
| OAC | CAP | NAB | H12 | 0.0° | 180.0° |
| OAC | CAP | NAB | H13 | 180.0° | 0.0° |
| CAQ | NAN | CAV | H5 | 180.0° | 179.9° |
| CAQ | NAN | CAV | CAW | 167.3° | 144.4° |
| CAQ | NAN | CAV | CAL | 3.3° | 35.3° |
| NAN | CAQ | NAM | H4 | 7.6° | 4.6° |
| OAD | CAQ | NAN | CAV | 4.0° | 4.5° |
| OAD | CAQ | NAM | H4 | 172.3° | 175.4° |
| OAD | CAQ | NAN | H5 | 176.0° | 175.4° |
| NAB | CAP | CAW | CAV | 171.0° | 175.1° |
| NAB | CAP | CAW | CAH | 2.8° | 5.2° |
| CAP | NAB | H12 | H13 | 180.0° | 180.0° |
| CAP | CAW | CAV | NAN | 10.9° | 0.0° |
| CAP | CAW | CAV | CAH | 173.9° | 179.8° |
| CAP | CAW | CAV | CAL | 174.9° | 179.7° |
| CAP | CAW | CAH | CAG | 179.9° | 179.7° |
| CAP | CAW | CAH | H11 | 0.1° | 0.0° |
| CAW | CAP | NAB | H12 | 179.5° | 0.0° |
| CAW | CAP | NAB | H13 | 0.5° | 180.0° |
| NAN | CAV | CAW | CAL | 164.0° | 179.7° |
| NAN | CAV | CAW | CAH | 175.2° | 179.8° |
| NAN | CAV | CAL | CAU | 172.9° | 180.0° |
| NAN | CAV | CAL | H6 | 7.1° | 0.1° |
| CAW | CAV | CAL | CAU | 9.3° | 0.3° |
| CAV | CAW | CAH | CAG | 6.2° | 0.5° |
| CAW | CAV | NAN | H5 | 12.7° | 35.7° |
| CAW | CAV | CAL | H6 | 170.7° | 179.8° |
| CAV | CAW | CAH | H11 | 173.8° | 179.7° |
| CAH | CAW | CAV | CAL | 11.3° | 0.6° |
| CAW | CAH | CAG | H11 | 180.0° | 179.7° |
| CAW | CAH | CAG | CAU | 0.7° | 0.2° |
| CAW | CAH | CAG | H10 | 179.3° | 179.7° |
| CAV | CAL | CAU | H6 | 180.0° | 180.0° |
| CAV | CAL | CAU | CAG | 2.3° | 0.0° |
| CAV | CAL | CAU | OAO | 173.8° | 180.0° |
| CAL | CAV | NAN | H5 | 176.7° | 144.6° |
| CAL | CAU | CAG | CAH | 2.7° | 0.0° |
| CAL | CAU | CAG | OAO | 176.2° | 180.0° |
| CAL | CAU | OAO | CAA | 20.4° | 180.0° |
| CAL | CAU | CAG | H10 | 177.3° | 180.0° |
| CAH | CAG | CAU | H10 | 180.0° | 180.0° |
| CAH | CAG | CAU | OAO | 178.9° | 180.0° |
| CAG | CAU | OAO | CAA | 163.5° | 0.0° |
| CAG | CAU | CAL | H6 | 177.7° | 180.0° |
| CAU | CAG | CAH | H11 | 179.3° | 180.0° |
| OAO | CAU | CAL | H6 | 6.2° | 0.0° |
| CAU | OAO | CAA | H7 | 180.0° | 180.0° |
| CAU | OAO | CAA | H8 | 60.0° | 60.0° |
| CAU | OAO | CAA | H9 | 60.0° | 60.0° |
| OAO | CAU | CAG | H10 | 1.1° | 0.0° |
| OAO | CAA | H7 | H8 | 120.0° | 120.0° |
| OAO | CAA | H7 | H9 | 120.0° | 120.0° |
| OAO | CAA | H8 | H9 | 120.0° | 120.0° |
| H7 | CAA | H8 | H9 | 120.0° | 120.0° |
| H10 | CAG | CAH | H11 | 0.7° | 0.0° |
