ZY6
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAE | CAC | sing | 1.38Å | 1.39Å | Aromatic |
| CAE | CAQ | doub | 1.39Å | 1.39Å | Aromatic |
| CAC | CAB | doub | 1.38Å | 1.38Å | Aromatic |
| CAB | CAD | sing | 1.38Å | 1.38Å | Aromatic |
| CAD | CAF | doub | 1.38Å | 1.39Å | Aromatic |
| CAF | CAQ | sing | 1.39Å | 1.38Å | Aromatic |
| CAQ | CAR | sing | 1.48Å | 1.39Å | Aromatic |
| CAR | CAG | sing | 1.40Å | 1.38Å | Aromatic |
| CAR | CAS | doub | 1.40Å | 1.39Å | Aromatic |
| CAG | NAN | doub | 1.31Å | 1.31Å | Aromatic |
| NAN | CAU | sing | 1.33Å | 1.34Å | Aromatic |
| CAU | NAO | sing | 1.37Å | 1.33Å | Aromatic |
| CAU | CAT | doub | 1.41Å | 1.38Å | Aromatic |
| NAO | NAM | sing | 1.40Å | 1.23Å | Aromatic |
| NAM | CAH | doub | 1.30Å | 1.33Å | Aromatic |
| CAH | CAT | sing | 1.41Å | 1.32Å | Aromatic |
| CAT | CAS | sing | 1.41Å | 1.39Å | Aromatic |
| CAS | NAV | sing | 1.39Å | 1.41Å | |
| NAV | CAL | sing | 1.47Å | 1.48Å | |
| NAV | CAK | sing | 1.47Å | 1.47Å | |
| CAL | CAW | sing | 1.53Å | 1.53Å | |
| CAK | CAJ | sing | 1.53Å | 1.53Å | |
| CAJ | OAP | sing | 1.43Å | 1.42Å | |
| OAP | CAW | sing | 1.43Å | 1.41Å | |
| CAW | CAI | sing | 1.53Å | 1.54Å | |
| CAI | NAA | sing | 1.47Å | 1.47Å | |
| CAE | HAE | sing | 1.08Å | 1.08Å | |
| CAC | HAC | sing | 1.08Å | 1.08Å | |
| CAB | HAB | sing | 1.08Å | 1.08Å | |
| CAD | HAD | sing | 1.08Å | 1.08Å | |
| CAF | HAF | sing | 1.08Å | 1.08Å | |
| CAG | HAG | sing | 1.08Å | 1.08Å | |
| NAO | HAO | sing | 0.97Å | 1.00Å | |
| CAH | HAH | sing | 1.08Å | 1.08Å | |
| CAL | HAL1 | sing | 1.09Å | 1.10Å | |
| CAL | HAL2 | sing | 1.09Å | 1.10Å | |
| CAK | HAK1 | sing | 1.09Å | 1.10Å | |
| CAK | HAK2 | sing | 1.09Å | 1.10Å | |
| CAW | HAW | sing | 1.09Å | 1.10Å | |
| CAJ | HAJ1 | sing | 1.09Å | 1.10Å | |
| CAJ | HAJ2 | sing | 1.09Å | 1.10Å | |
| CAI | HAI1 | sing | 1.09Å | 1.10Å | |
| CAI | HAI2 | sing | 1.09Å | 1.10Å | |
| NAA | HAA1 | sing | 1.01Å | 1.00Å | |
| NAA | HAA2 | sing | 1.01Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAC | CAE | CAQ | 121.0° | 119.8° |
| CAE | CAC | CAB | 119.7° | 120.1° |
| CAC | CAE | HAE | 119.5° | 120.1° |
| CAE | CAC | HAC | 120.2° | 119.9° |
| CAE | CAQ | CAF | 119.0° | 119.8° |
| CAE | CAQ | CAR | 119.9° | 120.1° |
| CAQ | CAE | HAE | 119.5° | 120.1° |
| CAC | CAB | CAD | 119.6° | 120.3° |
| CAB | CAC | HAC | 120.1° | 120.0° |
| CAC | CAB | HAB | 120.2° | 119.8° |
| CAB | CAD | CAF | 120.5° | 120.1° |
| CAD | CAB | HAB | 120.2° | 119.9° |
| CAB | CAD | HAD | 119.7° | 120.0° |
| CAD | CAF | CAQ | 120.1° | 119.9° |
| CAF | CAD | HAD | 119.8° | 119.9° |
| CAD | CAF | HAF | 119.9° | 120.0° |
| CAF | CAQ | CAR | 121.0° | 120.1° |
| CAQ | CAF | HAF | 119.9° | 120.1° |
| CAQ | CAR | CAG | 117.2° | 120.4° |
| CAQ | CAR | CAS | 123.4° | 120.4° |
| CAG | CAR | CAS | 119.4° | 119.2° |
| CAR | CAG | NAN | 121.8° | 121.4° |
| CAR | CAG | HAG | 119.1° | 119.3° |
| CAR | CAS | CAT | 117.3° | 117.9° |
| CAR | CAS | NAV | 121.7° | 121.1° |
| CAG | NAN | CAU | 120.9° | 122.1° |
| NAN | CAG | HAG | 119.1° | 119.3° |
| NAN | CAU | NAO | 132.2° | 133.3° |
| NAN | CAU | CAT | 120.1° | 120.3° |
| NAO | CAU | CAT | 107.7° | 106.4° |
| CAU | NAO | NAM | 108.4° | 108.3° |
| CAU | NAO | HAO | 125.8° | 125.9° |
| CAU | CAT | CAH | 104.8° | 107.1° |
| CAU | CAT | CAS | 120.6° | 119.2° |
| NAO | NAM | CAH | 111.4° | 109.7° |
| NAM | NAO | HAO | 125.8° | 125.8° |
| NAM | CAH | CAT | 107.7° | 108.5° |
| NAM | CAH | HAH | 126.1° | 125.7° |
| CAH | CAT | CAS | 134.6° | 133.7° |
| CAT | CAH | HAH | 126.1° | 125.8° |
| CAT | CAS | NAV | 121.1° | 121.1° |
| CAS | NAV | CAL | 122.3° | 111.0° |
| CAS | NAV | CAK | 120.1° | 111.0° |
| CAL | NAV | CAK | 117.7° | 110.8° |
| NAV | CAL | CAW | 109.5° | 109.2° |
| NAV | CAL | HAL1 | 109.5° | 109.5° |
| NAV | CAL | HAL2 | 109.4° | 109.5° |
| NAV | CAK | CAJ | 110.8° | 109.2° |
| NAV | CAK | HAK1 | 109.0° | 109.5° |
| NAV | CAK | HAK2 | 108.7° | 109.5° |
| CAL | CAW | OAP | 105.9° | 109.3° |
| CAL | CAW | CAI | 114.9° | 109.5° |
| CAW | CAL | HAL1 | 109.4° | 109.5° |
| CAW | CAL | HAL2 | 109.4° | 109.5° |
| CAL | CAW | HAW | 107.3° | 109.6° |
| CAK | CAJ | OAP | 109.1° | 109.3° |
| CAJ | CAK | HAK1 | 109.0° | 109.5° |
| CAJ | CAK | HAK2 | 108.7° | 109.5° |
| CAK | CAJ | HAJ1 | 109.6° | 109.5° |
| CAK | CAJ | HAJ2 | 109.6° | 109.5° |
| CAJ | OAP | CAW | 108.1° | 113.7° |
| OAP | CAJ | HAJ1 | 109.6° | 109.5° |
| OAP | CAJ | HAJ2 | 109.6° | 109.5° |
| OAP | CAW | CAI | 106.3° | 109.5° |
| OAP | CAW | HAW | 115.7° | 109.5° |
| CAW | CAI | NAA | 111.8° | 109.5° |
| CAI | CAW | HAW | 106.9° | 109.5° |
| CAW | CAI | HAI1 | 108.7° | 109.5° |
| CAW | CAI | HAI2 | 108.2° | 109.4° |
| NAA | CAI | HAI1 | 108.7° | 109.5° |
| NAA | CAI | HAI2 | 108.2° | 109.5° |
| CAI | NAA | HAA1 | 109.5° | 111.0° |
| CAI | NAA | HAA2 | 109.5° | 111.1° |
| HAL1 | CAL | HAL2 | 109.6° | 109.5° |
| HAK1 | CAK | HAK2 | 110.5° | 109.6° |
| HAJ1 | CAJ | HAJ2 | 109.3° | 109.5° |
| HAI1 | CAI | HAI2 | 111.3° | 109.5° |
| HAA1 | NAA | HAA2 | 109.4° | 111.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAC | CAE | CAQ | HAE | 180.0° | 179.8° |
| CAE | CAC | CAB | HAC | 180.0° | 180.0° |
| CAE | CAC | CAB | CAD | 0.0° | 0.1° |
| CAC | CAE | CAQ | CAF | 1.9° | 0.1° |
| CAC | CAE | CAQ | CAR | 178.5° | 180.0° |
| CAE | CAC | CAB | HAB | 180.0° | 180.0° |
| CAQ | CAE | CAC | CAB | 1.0° | 0.0° |
| CAE | CAQ | CAF | CAD | 1.8° | 0.1° |
| CAE | CAQ | CAF | CAR | 176.6° | 179.9° |
| CAE | CAQ | CAR | CAG | 121.3° | 55.8° |
| CAE | CAQ | CAR | CAS | 56.7° | 124.0° |
| CAQ | CAE | CAC | HAC | 179.0° | 180.0° |
| CAE | CAQ | CAF | HAF | 178.2° | 180.0° |
| CAC | CAB | CAD | HAB | 180.0° | 180.0° |
| CAC | CAB | CAD | CAF | 0.1° | 0.0° |
| CAB | CAC | CAE | HAE | 178.9° | 179.7° |
| CAC | CAB | CAD | HAD | 179.9° | 180.0° |
| CAB | CAD | CAF | HAD | 180.0° | 180.0° |
| CAB | CAD | CAF | CAQ | 0.8° | 0.1° |
| CAD | CAB | CAC | HAC | 180.0° | 179.9° |
| CAB | CAD | CAF | HAF | 179.2° | 180.0° |
| CAD | CAF | CAQ | HAF | 180.0° | 179.9° |
| CAD | CAF | CAQ | CAR | 178.3° | 180.0° |
| CAF | CAD | CAB | HAB | 179.9° | 179.9° |
| CAF | CAQ | CAR | CAG | 55.3° | 124.3° |
| CAF | CAQ | CAR | CAS | 126.8° | 56.0° |
| CAF | CAQ | CAE | HAE | 178.1° | 179.8° |
| CAQ | CAF | CAD | HAD | 179.2° | 179.9° |
| CAQ | CAR | CAG | CAS | 178.1° | 179.7° |
| CAQ | CAR | CAG | NAN | 179.0° | 180.0° |
| CAQ | CAR | CAS | CAT | 178.9° | 179.8° |
| CAQ | CAR | CAS | NAV | 1.5° | 0.0° |
| CAR | CAQ | CAE | HAE | 1.4° | 0.2° |
| CAR | CAQ | CAF | HAF | 1.6° | 0.0° |
| CAQ | CAR | CAG | HAG | 1.0° | 0.1° |
| CAR | CAG | NAN | HAG | 180.0° | 179.9° |
| CAR | CAG | NAN | CAU | 0.6° | 0.1° |
| CAG | CAR | CAS | CAT | 0.9° | 0.5° |
| CAG | CAR | CAS | NAV | 179.5° | 179.7° |
| CAS | CAR | CAG | NAN | 1.0° | 0.3° |
| CAR | CAS | CAT | CAU | 0.7° | 0.5° |
| CAR | CAS | CAT | CAH | 179.7° | 179.9° |
| CAR | CAS | CAT | NAV | 179.6° | 179.8° |
| CAR | CAS | NAV | CAL | 33.1° | 116.2° |
| CAR | CAS | NAV | CAK | 148.4° | 120.2° |
| CAS | CAR | CAG | HAG | 179.1° | 179.8° |
| CAG | NAN | CAU | NAO | 178.7° | 180.0° |
| CAG | NAN | CAU | CAT | 0.3° | 0.1° |
| NAN | CAU | NAO | CAT | 179.1° | 179.9° |
| NAN | CAU | NAO | NAM | 179.5° | 180.0° |
| NAN | CAU | CAT | CAH | 179.9° | 180.0° |
| NAN | CAU | CAT | CAS | 0.3° | 0.3° |
| CAU | NAN | CAG | HAG | 179.4° | 179.9° |
| NAN | CAU | NAO | HAO | 0.5° | 0.1° |
| CAU | NAO | NAM | HAO | 180.0° | 180.0° |
| CAU | NAO | NAM | CAH | 1.4° | 0.0° |
| NAO | CAU | CAT | CAH | 0.8° | 0.0° |
| NAO | CAU | CAT | CAS | 178.9° | 179.8° |
| CAT | CAU | NAO | NAM | 1.4° | 0.0° |
| CAU | CAT | CAH | NAM | 0.1° | 0.1° |
| CAU | CAT | CAH | CAS | 179.7° | 179.7° |
| CAU | CAT | CAS | NAV | 179.7° | 179.7° |
| CAT | CAU | NAO | HAO | 178.6° | 180.0° |
| CAU | CAT | CAH | HAH | 179.9° | 180.0° |
| NAO | NAM | CAH | CAT | 0.8° | 0.0° |
| NAO | NAM | CAH | HAH | 179.2° | 179.9° |
| NAM | CAH | CAT | HAH | 180.0° | 179.9° |
| NAM | CAH | CAT | CAS | 179.6° | 179.7° |
| CAH | NAM | NAO | HAO | 178.6° | 180.0° |
| CAH | CAT | CAS | NAV | 0.1° | 0.1° |
| CAT | CAS | NAV | CAL | 147.3° | 64.0° |
| CAT | CAS | NAV | CAK | 31.2° | 59.6° |
| CAS | CAT | CAH | HAH | 0.4° | 0.4° |
| CAS | NAV | CAL | CAK | 178.5° | 123.8° |
| CAS | NAV | CAL | CAW | 136.1° | 177.6° |
| CAS | NAV | CAK | CAJ | 140.6° | 177.6° |
| CAS | NAV | CAL | HAL1 | 103.9° | 62.5° |
| CAS | NAV | CAL | HAL2 | 16.2° | 57.6° |
| CAS | NAV | CAK | HAK1 | 20.6° | 57.7° |
| CAS | NAV | CAK | HAK2 | 99.9° | 62.4° |
| NAV | CAL | CAW | HAL1 | 120.0° | 119.9° |
| NAV | CAL | CAW | HAL2 | 120.0° | 119.9° |
| CAL | NAV | CAK | CAJ | 37.9° | 58.6° |
| NAV | CAL | CAW | OAP | 58.0° | 56.9° |
| NAV | CAL | CAW | CAI | 175.1° | 176.7° |
| NAV | CAL | HAL1 | HAL2 | 120.0° | 120.1° |
| CAL | NAV | CAK | HAK1 | 157.9° | 178.5° |
| CAL | NAV | CAK | HAK2 | 81.5° | 61.3° |
| NAV | CAL | CAW | HAW | 66.2° | 63.1° |
| CAK | NAV | CAL | CAW | 42.4° | 58.7° |
| NAV | CAK | CAJ | HAK1 | 120.0° | 119.9° |
| NAV | CAK | CAJ | HAK2 | 119.5° | 119.9° |
| NAV | CAK | CAJ | OAP | 49.2° | 56.9° |
| CAK | NAV | CAL | HAL1 | 77.6° | 61.3° |
| CAK | NAV | CAL | HAL2 | 162.3° | 178.6° |
| NAV | CAK | HAK1 | HAK2 | 119.5° | 120.1° |
| NAV | CAK | CAJ | HAJ1 | 70.8° | 63.1° |
| NAV | CAK | CAJ | HAJ2 | 169.3° | 176.8° |
| CAL | CAW | OAP | CAJ | 74.2° | 58.7° |
| CAL | CAW | OAP | CAI | 122.7° | 119.9° |
| CAL | CAW | OAP | HAW | 118.7° | 120.0° |
| CAL | CAW | CAI | HAW | 118.9° | 120.2° |
| CAL | CAW | CAI | NAA | 82.7° | 180.0° |
| CAW | CAL | HAL1 | HAL2 | 119.9° | 120.2° |
| CAL | CAW | CAI | HAI1 | 157.3° | 60.0° |
| CAL | CAW | CAI | HAI2 | 36.3° | 60.0° |
| CAK | CAJ | OAP | HAJ1 | 120.0° | 120.0° |
| CAK | CAJ | OAP | HAJ2 | 120.1° | 119.9° |
| CAK | CAJ | OAP | CAW | 70.3° | 58.7° |
| CAJ | CAK | HAK1 | HAK2 | 119.4° | 120.2° |
| CAK | CAJ | HAJ1 | HAJ2 | 120.1° | 120.1° |
| CAJ | OAP | CAW | CAI | 163.1° | 178.6° |
| OAP | CAJ | CAK | HAK1 | 169.2° | 176.8° |
| OAP | CAJ | CAK | HAK2 | 70.2° | 63.0° |
| CAJ | OAP | CAW | HAW | 44.6° | 61.3° |
| OAP | CAJ | HAJ1 | HAJ2 | 120.1° | 120.1° |
| OAP | CAW | CAI | HAW | 124.2° | 120.1° |
| OAP | CAW | CAI | NAA | 160.5° | 60.2° |
| OAP | CAW | CAL | HAL1 | 62.0° | 63.0° |
| OAP | CAW | CAL | HAL2 | 177.9° | 176.8° |
| CAW | OAP | CAJ | HAJ1 | 49.7° | 61.3° |
| CAW | OAP | CAJ | HAJ2 | 169.6° | 178.6° |
| OAP | CAW | CAI | HAI1 | 40.5° | 59.8° |
| OAP | CAW | CAI | HAI2 | 80.5° | 179.8° |
| CAW | CAI | NAA | HAI1 | 120.0° | 120.0° |
| CAW | CAI | NAA | HAI2 | 119.0° | 119.9° |
| CAI | CAW | CAL | HAL1 | 55.0° | 56.9° |
| CAI | CAW | CAL | HAL2 | 65.0° | 63.3° |
| CAW | CAI | HAI1 | HAI2 | 119.1° | 119.9° |
| CAW | CAI | NAA | HAA1 | 133.8° | 180.0° |
| CAW | CAI | NAA | HAA2 | 106.2° | 56.0° |
| NAA | CAI | CAW | HAW | 36.2° | 59.9° |
| NAA | CAI | HAI1 | HAI2 | 119.1° | 120.1° |
| CAI | NAA | HAA1 | HAA2 | 120.0° | 124.0° |
| HAE | CAE | CAC | HAC | 1.1° | 0.3° |
| HAC | CAC | CAB | HAB | 0.0° | 0.0° |
| HAB | CAB | CAD | HAD | 0.1° | 0.0° |
| HAD | CAD | CAF | HAF | 0.8° | 0.0° |
| HAL1 | CAL | CAW | HAW | 173.8° | 177.0° |
| HAL2 | CAL | CAW | HAW | 53.7° | 56.8° |
| HAK1 | CAK | CAJ | HAJ1 | 49.3° | 56.8° |
| HAK1 | CAK | CAJ | HAJ2 | 70.6° | 63.3° |
| HAK2 | CAK | CAJ | HAJ1 | 169.8° | 177.0° |
| HAK2 | CAK | CAJ | HAJ2 | 49.9° | 56.9° |
| HAW | CAW | CAI | HAI1 | 83.8° | 179.9° |
| HAW | CAW | CAI | HAI2 | 155.3° | 60.1° |
| HAI1 | CAI | NAA | HAA1 | 13.7° | 60.0° |
| HAI1 | CAI | NAA | HAA2 | 133.7° | 176.0° |
| HAI2 | CAI | NAA | HAA1 | 107.2° | 60.1° |
| HAI2 | CAI | NAA | HAA2 | 12.8° | 63.9° |
