ZX6
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAS | CAI | doub | 1.40Å | 1.39Å | Aromatic |
| CAS | CAR | sing | 1.41Å | 1.39Å | Aromatic |
| CAS | CAQ | sing | 1.47Å | 1.39Å | Aromatic |
| CAI | CAG | sing | 1.37Å | 1.39Å | Aromatic |
| CAG | CAF | doub | 1.39Å | 1.39Å | Aromatic |
| CAF | CAH | sing | 1.38Å | 1.39Å | Aromatic |
| CAH | CAR | doub | 1.39Å | 1.39Å | Aromatic |
| CAR | NAO | sing | 1.38Å | 1.33Å | Aromatic |
| NAO | CAJ | sing | 1.37Å | 1.33Å | Aromatic |
| CAJ | CAQ | doub | 1.34Å | 1.33Å | Aromatic |
| CAQ | CAL | sing | 1.51Å | 1.53Å | |
| CAL | CAP | sing | 1.51Å | 1.53Å | |
| CAP | OAB | doub | 1.21Å | 1.23Å | |
| CAP | NAM | sing | 1.35Å | 1.33Å | |
| NAM | CAK | sing | 1.47Å | 1.47Å | |
| CAK | CAU | sing | 1.53Å | 1.53Å | |
| CAU | NAN | sing | 1.47Å | 1.47Å | |
| CAU | CAW | sing | 1.53Å | 1.53Å | |
| NAN | CAT | sing | 1.47Å | 1.47Å | |
| CAT | CAA | sing | 1.53Å | 1.53Å | |
| CAT | CAV | sing | 1.53Å | 1.54Å | |
| CAV | OAC | sing | 1.43Å | 1.43Å | |
| CAV | CAX | sing | 1.53Å | 1.53Å | |
| CAX | OAE | sing | 1.43Å | 1.43Å | |
| CAX | CAW | sing | 1.53Å | 1.53Å | |
| CAW | OAD | sing | 1.43Å | 1.43Å | |
| CAI | HAI | sing | 1.08Å | 1.08Å | |
| CAG | HAG | sing | 1.08Å | 1.08Å | |
| CAF | HAF | sing | 1.08Å | 1.08Å | |
| CAH | HAH | sing | 1.08Å | 1.08Å | |
| NAO | HNAO | sing | 0.97Å | 1.00Å | |
| CAJ | HAJ | sing | 1.08Å | 1.08Å | |
| CAL | HAL | sing | 1.09Å | 1.10Å | |
| CAL | HALA | sing | 1.09Å | 1.10Å | |
| NAM | HNAM | sing | 0.97Å | 1.00Å | |
| CAK | HAK | sing | 1.09Å | 1.10Å | |
| CAK | HAKA | sing | 1.09Å | 1.10Å | |
| CAU | HAU | sing | 1.09Å | 1.10Å | |
| NAN | HNAN | sing | 1.01Å | 1.00Å | |
| CAT | HAT | sing | 1.09Å | 1.10Å | |
| CAA | HAA | sing | 1.09Å | 1.10Å | |
| CAA | HAAA | sing | 1.09Å | 1.10Å | |
| CAA | HAAB | sing | 1.09Å | 1.10Å | |
| CAV | HAV | sing | 1.09Å | 1.10Å | |
| OAC | HOAC | sing | 0.97Å | 0.95Å | |
| CAX | HAX | sing | 1.09Å | 1.10Å | |
| OAE | HOAE | sing | 0.97Å | 0.95Å | |
| CAW | HAW | sing | 1.09Å | 1.10Å | |
| OAD | HOAD | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAI | CAS | CAR | 119.7° | 119.9° |
| CAI | CAS | CAQ | 133.9° | 134.0° |
| CAS | CAI | CAG | 120.0° | 119.8° |
| CAS | CAI | HAI | 120.0° | 120.1° |
| CAR | CAS | CAQ | 106.4° | 106.0° |
| CAS | CAR | CAH | 120.5° | 119.3° |
| CAS | CAR | NAO | 107.3° | 107.1° |
| CAS | CAQ | CAJ | 106.9° | 107.0° |
| CAS | CAQ | CAL | 128.6° | 126.5° |
| CAI | CAG | CAF | 120.3° | 120.5° |
| CAG | CAI | HAI | 120.0° | 120.1° |
| CAI | CAG | HAG | 119.9° | 119.7° |
| CAG | CAF | CAH | 119.7° | 120.7° |
| CAF | CAG | HAG | 119.8° | 119.8° |
| CAG | CAF | HAF | 120.1° | 119.6° |
| CAF | CAH | CAR | 119.8° | 119.8° |
| CAH | CAF | HAF | 120.1° | 119.7° |
| CAF | CAH | HAH | 120.1° | 120.1° |
| CAH | CAR | NAO | 132.2° | 133.5° |
| CAR | CAH | HAH | 120.1° | 120.1° |
| CAR | NAO | CAJ | 109.4° | 109.9° |
| CAR | NAO | HNAO | 125.3° | 125.0° |
| NAO | CAJ | CAQ | 109.9° | 110.0° |
| CAJ | NAO | HNAO | 125.3° | 125.1° |
| NAO | CAJ | HAJ | 125.0° | 125.0° |
| CAJ | CAQ | CAL | 124.4° | 126.5° |
| CAQ | CAJ | HAJ | 125.1° | 125.0° |
| CAQ | CAL | CAP | 115.4° | 109.4° |
| CAQ | CAL | HAL | 107.5° | 109.4° |
| CAQ | CAL | HALA | 106.2° | 109.5° |
| CAL | CAP | OAB | 118.3° | 120.0° |
| CAL | CAP | NAM | 118.9° | 120.0° |
| CAP | CAL | HAL | 107.5° | 109.5° |
| CAP | CAL | HALA | 106.2° | 109.5° |
| OAB | CAP | NAM | 122.5° | 120.0° |
| CAP | NAM | CAK | 122.7° | 120.0° |
| CAP | NAM | HNAM | 118.7° | 120.0° |
| NAM | CAK | CAU | 116.3° | 109.5° |
| CAK | NAM | HNAM | 118.7° | 119.9° |
| NAM | CAK | HAK | 107.3° | 109.5° |
| NAM | CAK | HAKA | 105.7° | 109.5° |
| CAK | CAU | NAN | 110.5° | 109.5° |
| CAK | CAU | CAW | 111.0° | 109.5° |
| CAU | CAK | HAK | 107.3° | 109.5° |
| CAU | CAK | HAKA | 105.7° | 109.5° |
| CAK | CAU | HAU | 106.5° | 109.4° |
| NAN | CAU | CAW | 105.5° | 109.5° |
| CAU | NAN | CAT | 112.0° | 111.2° |
| NAN | CAU | HAU | 112.0° | 109.4° |
| CAU | NAN | HNAN | 108.6° | 111.0° |
| CAU | CAW | CAX | 108.6° | 109.3° |
| CAU | CAW | OAD | 113.2° | 109.5° |
| CAW | CAU | HAU | 111.5° | 109.4° |
| CAU | CAW | HAW | 107.1° | 109.5° |
| NAN | CAT | CAA | 109.4° | 109.5° |
| NAN | CAT | CAV | 112.9° | 109.5° |
| CAT | NAN | HNAN | 108.6° | 111.0° |
| NAN | CAT | HAT | 107.4° | 109.5° |
| CAA | CAT | CAV | 109.9° | 109.5° |
| CAA | CAT | HAT | 110.5° | 109.4° |
| CAT | CAA | HAA | 109.5° | 109.5° |
| CAT | CAA | HAAA | 109.5° | 109.5° |
| CAT | CAA | HAAB | 109.5° | 109.4° |
| CAT | CAV | OAC | 110.5° | 109.5° |
| CAT | CAV | CAX | 110.0° | 109.3° |
| CAV | CAT | HAT | 106.8° | 109.4° |
| CAT | CAV | HAV | 108.4° | 109.5° |
| OAC | CAV | CAX | 109.3° | 109.5° |
| OAC | CAV | HAV | 109.1° | 109.5° |
| CAV | OAC | HOAC | 109.5° | 114.0° |
| CAV | CAX | OAE | 111.6° | 109.5° |
| CAV | CAX | CAW | 108.2° | 109.2° |
| CAX | CAV | HAV | 109.5° | 109.6° |
| CAV | CAX | HAX | 108.7° | 109.5° |
| OAE | CAX | CAW | 109.0° | 109.6° |
| OAE | CAX | HAX | 108.0° | 109.5° |
| CAX | OAE | HOAE | 109.5° | 114.0° |
| CAX | CAW | OAD | 108.1° | 109.5° |
| CAW | CAX | HAX | 111.4° | 109.6° |
| CAX | CAW | HAW | 112.2° | 109.5° |
| OAD | CAW | HAW | 107.6° | 109.5° |
| CAW | OAD | HOAD | 109.5° | 114.0° |
| HAL | CAL | HALA | 114.3° | 109.5° |
| HAK | CAK | HAKA | 114.9° | 109.4° |
| HAA | CAA | HAAA | 109.5° | 109.5° |
| HAA | CAA | HAAB | 109.4° | 109.4° |
| HAAA | CAA | HAAB | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAI | CAS | CAR | CAQ | 177.8° | 179.9° |
| CAS | CAI | CAG | HAI | 180.0° | 180.0° |
| CAS | CAI | CAG | CAF | 0.3° | 0.0° |
| CAI | CAS | CAR | CAH | 0.2° | 0.1° |
| CAI | CAS | CAR | NAO | 177.9° | 180.0° |
| CAI | CAS | CAQ | CAJ | 177.5° | 179.9° |
| CAI | CAS | CAQ | CAL | 3.0° | 0.1° |
| CAS | CAI | CAG | HAG | 179.7° | 180.0° |
| CAR | CAS | CAI | CAG | 0.1° | 0.1° |
| CAS | CAR | CAH | CAF | 0.4° | 0.0° |
| CAS | CAR | CAH | NAO | 177.5° | 179.9° |
| CAS | CAR | NAO | CAJ | 0.0° | 0.1° |
| CAR | CAS | CAQ | CAJ | 0.1° | 0.3° |
| CAR | CAS | CAQ | CAL | 179.6° | 179.8° |
| CAR | CAS | CAI | HAI | 179.8° | 179.9° |
| CAS | CAR | CAH | HAH | 179.6° | 179.9° |
| CAS | CAR | NAO | HNAO | 180.0° | 179.9° |
| CAQ | CAS | CAI | CAG | 177.0° | 179.7° |
| CAQ | CAS | CAR | CAH | 178.0° | 179.8° |
| CAQ | CAS | CAR | NAO | 0.0° | 0.1° |
| CAS | CAQ | CAJ | NAO | 0.1° | 0.3° |
| CAS | CAQ | CAJ | CAL | 179.6° | 180.0° |
| CAS | CAQ | CAL | CAP | 44.4° | 85.1° |
| CAQ | CAS | CAI | HAI | 3.0° | 0.2° |
| CAS | CAQ | CAJ | HAJ | 179.9° | 179.9° |
| CAS | CAQ | CAL | HAL | 75.6° | 155.0° |
| CAS | CAQ | CAL | HALA | 161.7° | 35.0° |
| CAI | CAG | CAF | HAG | 180.0° | 180.0° |
| CAI | CAG | CAF | CAH | 0.1° | 0.0° |
| CAI | CAG | CAF | HAF | 179.9° | 180.0° |
| CAG | CAF | CAH | HAF | 180.0° | 180.0° |
| CAG | CAF | CAH | CAR | 0.2° | 0.0° |
| CAF | CAG | CAI | HAI | 179.7° | 180.0° |
| CAG | CAF | CAH | HAH | 179.8° | 180.0° |
| CAF | CAH | CAR | HAH | 180.0° | 180.0° |
| CAF | CAH | CAR | NAO | 177.2° | 179.9° |
| CAH | CAF | CAG | HAG | 179.9° | 180.0° |
| CAH | CAR | NAO | CAJ | 177.8° | 180.0° |
| CAR | CAH | CAF | HAF | 179.8° | 180.0° |
| CAH | CAR | NAO | HNAO | 2.2° | 0.0° |
| CAR | NAO | CAJ | HNAO | 180.0° | 180.0° |
| CAR | NAO | CAJ | CAQ | 0.1° | 0.2° |
| NAO | CAR | CAH | HAH | 2.8° | 0.0° |
| CAR | NAO | CAJ | HAJ | 179.9° | 180.0° |
| NAO | CAJ | CAQ | HAJ | 180.0° | 179.8° |
| NAO | CAJ | CAQ | CAL | 179.7° | 179.7° |
| CAJ | CAQ | CAL | CAP | 136.1° | 94.9° |
| CAQ | CAJ | NAO | HNAO | 179.9° | 179.7° |
| CAJ | CAQ | CAL | HAL | 103.9° | 25.1° |
| CAJ | CAQ | CAL | HALA | 18.8° | 145.1° |
| CAQ | CAL | CAP | HAL | 120.0° | 119.9° |
| CAQ | CAL | CAP | HALA | 117.3° | 120.0° |
| CAQ | CAL | CAP | OAB | 160.5° | 0.1° |
| CAQ | CAL | CAP | NAM | 25.8° | 180.0° |
| CAL | CAQ | CAJ | HAJ | 0.3° | 0.0° |
| CAQ | CAL | HAL | HALA | 117.6° | 120.0° |
| CAL | CAP | OAB | NAM | 173.5° | 180.0° |
| CAL | CAP | NAM | CAK | 177.3° | 180.0° |
| CAP | CAL | HAL | HALA | 117.5° | 120.0° |
| CAL | CAP | NAM | HNAM | 2.7° | 0.0° |
| OAB | CAP | NAM | CAK | 9.2° | 0.0° |
| OAB | CAP | CAL | HAL | 40.5° | 120.0° |
| OAB | CAP | CAL | HALA | 82.2° | 120.0° |
| OAB | CAP | NAM | HNAM | 170.8° | 180.0° |
| CAP | NAM | CAK | HNAM | 180.0° | 180.0° |
| CAP | NAM | CAK | CAU | 84.2° | 180.0° |
| NAM | CAP | CAL | HAL | 145.8° | 60.1° |
| NAM | CAP | CAL | HALA | 91.5° | 60.0° |
| CAP | NAM | CAK | HAK | 155.8° | 59.9° |
| CAP | NAM | CAK | HAKA | 32.7° | 60.0° |
| NAM | CAK | CAU | HAK | 120.0° | 120.0° |
| NAM | CAK | CAU | HAKA | 116.9° | 120.0° |
| NAM | CAK | CAU | NAN | 71.7° | 55.0° |
| NAM | CAK | CAU | CAW | 171.6° | 175.1° |
| NAM | CAK | HAK | HAKA | 117.2° | 120.0° |
| NAM | CAK | CAU | HAU | 50.1° | 65.0° |
| CAK | CAU | NAN | CAW | 120.0° | 120.1° |
| CAK | CAU | NAN | HAU | 118.6° | 120.0° |
| CAK | CAU | CAW | HAU | 118.6° | 120.0° |
| CAK | CAU | NAN | CAT | 177.0° | 178.2° |
| CAK | CAU | CAW | CAX | 173.1° | 179.2° |
| CAK | CAU | CAW | OAD | 53.0° | 60.8° |
| CAU | CAK | NAM | HNAM | 95.8° | 0.0° |
| CAU | CAK | HAK | HAKA | 117.2° | 120.0° |
| CAK | CAU | NAN | HNAN | 57.0° | 54.1° |
| CAK | CAU | CAW | HAW | 65.5° | 59.2° |
| NAN | CAU | CAW | HAU | 121.7° | 120.0° |
| CAU | NAN | CAT | HNAN | 120.0° | 124.1° |
| CAU | NAN | CAT | CAA | 179.1° | 178.3° |
| CAU | NAN | CAT | CAV | 56.5° | 61.7° |
| NAN | CAU | CAW | CAX | 67.2° | 59.2° |
| NAN | CAU | CAW | OAD | 172.7° | 179.1° |
| NAN | CAU | CAK | HAK | 48.3° | 65.0° |
| NAN | CAU | CAK | HAKA | 171.4° | 175.0° |
| CAU | NAN | CAT | HAT | 60.9° | 58.3° |
| NAN | CAU | CAW | HAW | 54.2° | 60.8° |
| CAW | CAU | NAN | CAT | 63.0° | 61.7° |
| CAU | CAW | CAX | CAV | 64.1° | 57.7° |
| CAU | CAW | CAX | OAE | 174.3° | 177.5° |
| CAU | CAW | CAX | OAD | 123.2° | 119.9° |
| CAU | CAW | CAX | HAW | 118.3° | 120.0° |
| CAU | CAW | OAD | HAW | 118.2° | 120.0° |
| CAW | CAU | CAK | HAK | 68.4° | 55.1° |
| CAW | CAU | CAK | HAKA | 54.7° | 64.9° |
| CAW | CAU | NAN | HNAN | 177.1° | 174.2° |
| CAU | CAW | CAX | HAX | 55.3° | 62.3° |
| CAU | CAW | OAD | HOAD | 13.3° | 180.0° |
| NAN | CAT | CAA | CAV | 124.4° | 120.1° |
| NAN | CAT | CAA | HAT | 118.0° | 120.0° |
| NAN | CAT | CAV | HAT | 117.8° | 120.0° |
| NAN | CAT | CAV | OAC | 70.1° | 60.8° |
| NAN | CAT | CAV | CAX | 50.7° | 59.1° |
| CAT | NAN | CAU | HAU | 58.5° | 58.3° |
| NAN | CAT | CAA | HAA | 134.0° | 60.0° |
| NAN | CAT | CAA | HAAA | 106.0° | 180.0° |
| NAN | CAT | CAA | HAAB | 14.0° | 60.0° |
| NAN | CAT | CAV | HAV | 170.5° | 179.1° |
| CAA | CAT | CAV | HAT | 119.9° | 119.9° |
| CAA | CAT | CAV | OAC | 52.3° | 59.3° |
| CAA | CAT | CAV | CAX | 173.0° | 179.2° |
| CAA | CAT | NAN | HNAN | 60.9° | 54.1° |
| CAT | CAA | HAA | HAAA | 120.0° | 120.0° |
| CAT | CAA | HAA | HAAB | 120.0° | 119.9° |
| CAT | CAA | HAAA | HAAB | 120.0° | 120.0° |
| CAA | CAT | CAV | HAV | 67.2° | 60.8° |
| CAT | CAV | OAC | CAX | 121.1° | 119.8° |
| CAT | CAV | OAC | HAV | 119.1° | 120.1° |
| CAT | CAV | CAX | HAV | 119.1° | 120.0° |
| CAT | CAV | CAX | OAE | 174.1° | 177.5° |
| CAT | CAV | CAX | CAW | 54.2° | 57.6° |
| CAV | CAT | NAN | HNAN | 176.5° | 174.2° |
| CAV | CAT | CAA | HAA | 9.6° | 60.1° |
| CAV | CAT | CAA | HAAA | 129.6° | 59.9° |
| CAV | CAT | CAA | HAAB | 110.4° | 180.0° |
| CAT | CAV | OAC | HOAC | 138.1° | 180.0° |
| CAT | CAV | CAX | HAX | 66.9° | 62.3° |
| OAC | CAV | CAX | HAV | 119.5° | 120.1° |
| OAC | CAV | CAX | OAE | 52.7° | 57.6° |
| OAC | CAV | CAX | CAW | 67.3° | 62.3° |
| OAC | CAV | CAT | HAT | 172.2° | 179.2° |
| OAC | CAV | CAX | HAX | 171.6° | 177.8° |
| CAV | CAX | OAE | CAW | 119.5° | 119.7° |
| CAV | CAX | OAE | HAX | 119.4° | 120.1° |
| CAV | CAX | CAW | HAX | 119.5° | 119.9° |
| CAV | CAX | CAW | OAD | 172.7° | 177.6° |
| CAX | CAV | CAT | HAT | 67.1° | 60.9° |
| CAX | CAV | OAC | HOAC | 100.8° | 60.2° |
| CAV | CAX | OAE | HOAE | 168.0° | 60.0° |
| CAV | CAX | CAW | HAW | 54.1° | 62.3° |
| OAE | CAX | CAW | HAX | 119.0° | 120.2° |
| OAE | CAX | CAW | OAD | 51.2° | 62.5° |
| OAE | CAX | CAV | HAV | 66.8° | 62.5° |
| OAE | CAX | CAW | HAW | 67.4° | 57.6° |
| CAX | CAW | OAD | HAW | 121.5° | 120.1° |
| CAX | CAW | CAU | HAU | 54.5° | 60.8° |
| CAW | CAX | CAV | HAV | 173.3° | 177.6° |
| CAW | CAX | OAE | HOAE | 72.5° | 179.7° |
| CAX | CAW | OAD | HOAD | 133.7° | 60.2° |
| OAD | CAW | CAU | HAU | 65.6° | 59.1° |
| OAD | CAW | CAX | HAX | 67.8° | 57.7° |
| HAI | CAI | CAG | HAG | 0.3° | 0.0° |
| HAG | CAG | CAF | HAF | 0.1° | 0.0° |
| HAF | CAF | CAH | HAH | 0.2° | 0.0° |
| HNAO | NAO | CAJ | HAJ | 0.1° | 0.0° |
| HNAM | NAM | CAK | HAK | 24.2° | 120.0° |
| HNAM | NAM | CAK | HAKA | 147.3° | 120.0° |
| HAK | CAK | CAU | HAU | 170.1° | 175.0° |
| HAKA | CAK | CAU | HAU | 66.8° | 55.0° |
| HAU | CAU | NAN | HNAN | 61.5° | 65.8° |
| HAU | CAU | CAW | HAW | 175.9° | 179.2° |
| HNAN | NAN | CAT | HAT | 59.1° | 65.9° |
| HAT | CAT | CAA | HAA | 108.0° | 180.0° |
| HAT | CAT | CAA | HAAA | 12.0° | 60.0° |
| HAT | CAT | CAA | HAAB | 132.0° | 60.1° |
| HAT | CAT | CAV | HAV | 52.7° | 59.1° |
| HAA | CAA | HAAA | HAAB | 120.0° | 120.0° |
| HAV | CAV | OAC | HOAC | 19.0° | 59.9° |
| HAV | CAV | CAX | HAX | 52.2° | 57.6° |
| HAX | CAX | OAE | HOAE | 48.5° | 60.1° |
| HAX | CAX | CAW | HAW | 173.6° | 177.8° |
| HAW | CAW | OAD | HOAD | 104.9° | 59.9° |






