AU6
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OAD | CAO | doub | 1.22Å | 1.26Å | |
| CAG | CAE | doub | 1.38Å | 1.41Å | Aromatic |
| CAG | CAT | sing | 1.40Å | 1.37Å | Aromatic |
| CAO | OAB | sing | 1.35Å | 1.23Å | |
| CAO | CAT | sing | 1.48Å | 1.44Å | |
| CAE | CAF | sing | 1.38Å | 1.39Å | Aromatic |
| CAT | CAL | doub | 1.39Å | 1.40Å | Aromatic |
| CAF | CAS | doub | 1.39Å | 1.40Å | Aromatic |
| CAL | CAS | sing | 1.39Å | 1.41Å | Aromatic |
| CAS | NAN | sing | 1.40Å | 1.35Å | |
| NAN | CAP | sing | 1.35Å | 1.37Å | |
| OAC | CAP | doub | 1.22Å | 1.22Å | |
| CAP | NAM | sing | 1.35Å | 1.37Å | |
| NAM | CAR | sing | 1.40Å | 1.36Å | |
| CAK | CAR | doub | 1.39Å | 1.39Å | Aromatic |
| CAK | CAI | sing | 1.38Å | 1.40Å | Aromatic |
| CAR | CAJ | sing | 1.39Å | 1.38Å | Aromatic |
| CAI | CAQ | doub | 1.38Å | 1.38Å | Aromatic |
| CAJ | CAH | doub | 1.38Å | 1.41Å | Aromatic |
| CAQ | CAH | sing | 1.38Å | 1.38Å | Aromatic |
| CAQ | CAA | sing | 1.51Å | 1.45Å | |
| OAB | H1 | sing | 0.97Å | 0.95Å | |
| CAL | H2 | sing | 1.08Å | 1.08Å | |
| CAG | H3 | sing | 1.08Å | 1.08Å | |
| CAE | H4 | sing | 1.08Å | 1.08Å | |
| CAF | H5 | sing | 1.08Å | 1.08Å | |
| NAN | H6 | sing | 0.97Å | 1.00Å | |
| NAM | H7 | sing | 0.97Å | 1.00Å | |
| CAJ | H8 | sing | 1.08Å | 1.08Å | |
| CAH | H9 | sing | 1.08Å | 1.08Å | |
| CAA | H10 | sing | 1.09Å | 1.10Å | |
| CAA | H11 | sing | 1.09Å | 1.10Å | |
| CAA | H12 | sing | 1.09Å | 1.10Å | |
| CAI | H13 | sing | 1.08Å | 1.08Å | |
| CAK | H14 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OAD | CAO | OAB | 117.4° | 120.0° |
| OAD | CAO | CAT | 121.3° | 120.0° |
| CAE | CAG | CAT | 118.5° | 120.0° |
| CAG | CAE | CAF | 121.9° | 120.2° |
| CAE | CAG | H3 | 120.7° | 120.0° |
| CAG | CAE | H4 | 119.1° | 119.9° |
| CAG | CAT | CAO | 118.4° | 120.1° |
| CAG | CAT | CAL | 118.8° | 119.8° |
| CAT | CAG | H3 | 120.7° | 120.0° |
| OAB | CAO | CAT | 121.3° | 120.0° |
| CAO | OAB | H1 | 109.5° | 117.0° |
| CAO | CAT | CAL | 122.7° | 120.2° |
| CAE | CAF | CAS | 120.9° | 120.2° |
| CAF | CAE | H4 | 119.1° | 119.9° |
| CAE | CAF | H5 | 119.5° | 119.9° |
| CAT | CAL | CAS | 124.3° | 119.8° |
| CAT | CAL | H2 | 117.9° | 120.1° |
| CAF | CAS | CAL | 115.4° | 120.0° |
| CAF | CAS | NAN | 126.6° | 120.0° |
| CAS | CAF | H5 | 119.5° | 119.9° |
| CAL | CAS | NAN | 117.8° | 120.0° |
| CAS | CAL | H2 | 117.8° | 120.1° |
| CAS | NAN | CAP | 126.6° | 120.0° |
| CAS | NAN | H6 | 116.7° | 120.0° |
| NAN | CAP | OAC | 120.9° | 120.0° |
| NAN | CAP | NAM | 115.6° | 120.0° |
| CAP | NAN | H6 | 116.7° | 120.0° |
| OAC | CAP | NAM | 122.2° | 120.0° |
| CAP | NAM | CAR | 124.9° | 120.0° |
| CAP | NAM | H7 | 117.6° | 120.1° |
| NAM | CAR | CAK | 124.9° | 120.0° |
| NAM | CAR | CAJ | 116.5° | 120.1° |
| CAR | NAM | H7 | 117.6° | 120.0° |
| CAR | CAK | CAI | 119.7° | 119.9° |
| CAK | CAR | CAJ | 118.5° | 119.9° |
| CAR | CAK | H14 | 120.2° | 120.0° |
| CAK | CAI | CAQ | 121.7° | 120.1° |
| CAK | CAI | H13 | 119.2° | 120.0° |
| CAI | CAK | H14 | 120.1° | 120.1° |
| CAR | CAJ | CAH | 121.8° | 120.0° |
| CAR | CAJ | H8 | 119.1° | 120.0° |
| CAI | CAQ | CAH | 119.1° | 120.2° |
| CAI | CAQ | CAA | 119.3° | 119.9° |
| CAQ | CAI | H13 | 119.2° | 120.0° |
| CAJ | CAH | CAQ | 119.1° | 120.0° |
| CAH | CAJ | H8 | 119.1° | 120.0° |
| CAJ | CAH | H9 | 120.5° | 120.0° |
| CAH | CAQ | CAA | 121.6° | 119.9° |
| CAQ | CAH | H9 | 120.5° | 120.0° |
| CAQ | CAA | H10 | 109.5° | 109.5° |
| CAQ | CAA | H11 | 109.5° | 109.5° |
| CAQ | CAA | H12 | 109.5° | 109.5° |
| H10 | CAA | H11 | 109.4° | 109.5° |
| H10 | CAA | H12 | 109.5° | 109.4° |
| H11 | CAA | H12 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OAD | CAO | CAT | CAG | 24.1° | 179.7° |
| OAD | CAO | OAB | CAT | 178.4° | 180.0° |
| OAD | CAO | CAT | CAL | 155.5° | 0.0° |
| OAD | CAO | OAB | H1 | 0.0° | 0.0° |
| CAE | CAG | CAT | H3 | 180.0° | 179.9° |
| CAE | CAG | CAT | CAO | 179.0° | 180.0° |
| CAG | CAE | CAF | H4 | 180.0° | 180.0° |
| CAE | CAG | CAT | CAL | 0.6° | 0.3° |
| CAG | CAE | CAF | CAS | 0.7° | 0.2° |
| CAG | CAE | CAF | H5 | 179.3° | 180.0° |
| CAG | CAT | CAO | OAB | 157.5° | 0.3° |
| CAG | CAT | CAO | CAL | 179.6° | 179.7° |
| CAT | CAG | CAE | CAF | 0.8° | 0.0° |
| CAG | CAT | CAL | CAS | 1.2° | 0.3° |
| CAG | CAT | CAL | H2 | 178.8° | 179.7° |
| CAT | CAG | CAE | H4 | 179.2° | 180.0° |
| OAB | CAO | CAT | CAL | 22.9° | 180.0° |
| CAO | CAT | CAL | CAS | 179.3° | 180.0° |
| CAT | CAO | OAB | H1 | 178.4° | 180.0° |
| CAO | CAT | CAL | H2 | 0.8° | 0.0° |
| CAO | CAT | CAG | H3 | 1.0° | 0.1° |
| CAE | CAF | CAS | H5 | 180.0° | 179.7° |
| CAE | CAF | CAS | CAL | 2.3° | 0.3° |
| CAE | CAF | CAS | NAN | 176.9° | 179.7° |
| CAF | CAE | CAG | H3 | 179.2° | 180.0° |
| CAT | CAL | CAS | CAF | 2.6° | 0.0° |
| CAT | CAL | CAS | H2 | 180.0° | 180.0° |
| CAT | CAL | CAS | NAN | 177.7° | 180.0° |
| CAL | CAT | CAG | H3 | 179.4° | 179.8° |
| CAF | CAS | CAL | NAN | 175.1° | 180.0° |
| CAF | CAS | NAN | CAP | 4.4° | 144.9° |
| CAF | CAS | CAL | H2 | 177.4° | 180.0° |
| CAS | CAF | CAE | H4 | 179.2° | 179.7° |
| CAF | CAS | NAN | H6 | 175.6° | 35.1° |
| CAL | CAS | NAN | CAP | 178.9° | 35.1° |
| CAL | CAS | CAF | H5 | 177.7° | 180.0° |
| CAL | CAS | NAN | H6 | 1.1° | 144.9° |
| CAS | NAN | CAP | H6 | 180.0° | 180.0° |
| CAS | NAN | CAP | OAC | 18.2° | 4.6° |
| CAS | NAN | CAP | NAM | 174.5° | 175.3° |
| NAN | CAS | CAL | H2 | 2.3° | 0.0° |
| NAN | CAS | CAF | H5 | 3.1° | 0.0° |
| NAN | CAP | OAC | NAM | 166.5° | 180.0° |
| NAN | CAP | NAM | CAR | 179.0° | 175.3° |
| NAN | CAP | NAM | H7 | 1.0° | 4.6° |
| OAC | CAP | NAM | CAR | 11.9° | 4.7° |
| OAC | CAP | NAN | H6 | 161.8° | 175.4° |
| OAC | CAP | NAM | H7 | 168.1° | 175.4° |
| CAP | NAM | CAR | H7 | 180.0° | 179.9° |
| CAP | NAM | CAR | CAK | 40.5° | 35.4° |
| CAP | NAM | CAR | CAJ | 136.8° | 144.9° |
| NAM | CAP | NAN | H6 | 5.5° | 4.6° |
| NAM | CAR | CAK | CAJ | 177.2° | 179.7° |
| NAM | CAR | CAK | CAI | 179.4° | 179.8° |
| NAM | CAR | CAJ | CAH | 179.2° | 179.9° |
| NAM | CAR | CAJ | H8 | 0.8° | 0.1° |
| NAM | CAR | CAK | H14 | 0.6° | 0.0° |
| CAR | CAK | CAI | H14 | 180.0° | 179.8° |
| CAR | CAK | CAI | CAQ | 0.9° | 0.5° |
| CAK | CAR | CAJ | CAH | 3.3° | 0.3° |
| CAK | CAR | NAM | H7 | 139.5° | 144.7° |
| CAK | CAR | CAJ | H8 | 176.7° | 179.7° |
| CAR | CAK | CAI | H13 | 179.1° | 179.8° |
| CAI | CAK | CAR | CAJ | 2.1° | 0.5° |
| CAK | CAI | CAQ | H13 | 180.0° | 179.7° |
| CAK | CAI | CAQ | CAH | 0.7° | 0.2° |
| CAK | CAI | CAQ | CAA | 179.3° | 179.8° |
| CAR | CAJ | CAH | H8 | 180.0° | 180.0° |
| CAR | CAJ | CAH | CAQ | 3.1° | 0.0° |
| CAJ | CAR | NAM | H7 | 43.2° | 35.0° |
| CAR | CAJ | CAH | H9 | 176.9° | 179.9° |
| CAJ | CAR | CAK | H14 | 177.8° | 179.7° |
| CAI | CAQ | CAH | CAJ | 1.7° | 0.0° |
| CAI | CAQ | CAH | CAA | 180.0° | 180.0° |
| CAI | CAQ | CAH | H9 | 178.3° | 179.9° |
| CAI | CAQ | CAA | H10 | 90.0° | 90.1° |
| CAI | CAQ | CAA | H11 | 150.0° | 30.0° |
| CAI | CAQ | CAA | H12 | 30.0° | 150.0° |
| CAQ | CAI | CAK | H14 | 179.1° | 179.7° |
| CAJ | CAH | CAQ | H9 | 180.0° | 179.9° |
| CAJ | CAH | CAQ | CAA | 178.2° | 180.0° |
| CAQ | CAH | CAJ | H8 | 176.9° | 180.0° |
| CAH | CAQ | CAA | H10 | 90.0° | 90.0° |
| CAH | CAQ | CAA | H11 | 29.9° | 150.0° |
| CAH | CAQ | CAA | H12 | 150.0° | 30.0° |
| CAH | CAQ | CAI | H13 | 179.3° | 180.0° |
| CAA | CAQ | CAH | H9 | 1.7° | 0.0° |
| CAQ | CAA | H10 | H11 | 120.0° | 120.0° |
| CAQ | CAA | H10 | H12 | 120.0° | 120.0° |
| CAQ | CAA | H11 | H12 | 120.0° | 120.0° |
| CAA | CAQ | CAI | H13 | 0.7° | 0.1° |
| H3 | CAG | CAE | H4 | 0.8° | 0.0° |
| H4 | CAE | CAF | H5 | 0.7° | 0.0° |
| H8 | CAJ | CAH | H9 | 3.1° | 0.1° |
| H10 | CAA | H11 | H12 | 120.0° | 120.0° |
| H13 | CAI | CAK | H14 | 0.9° | 0.0° |
