ZX8
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAJ | CAQ | sing | 1.46Å | 1.34Å | Aromatic |
| CAJ | CAP | doub | 1.36Å | 1.33Å | Aromatic |
| CAQ | CAH | doub | 1.40Å | 1.38Å | Aromatic |
| CAQ | CAR | sing | 1.41Å | 1.40Å | Aromatic |
| CAH | CAF | sing | 1.37Å | 1.40Å | Aromatic |
| CAF | CAG | doub | 1.39Å | 1.39Å | Aromatic |
| CAG | CAI | sing | 1.38Å | 1.39Å | Aromatic |
| CAI | CAR | doub | 1.39Å | 1.39Å | Aromatic |
| CAR | OAN | sing | 1.35Å | 1.36Å | Aromatic |
| OAN | CAP | sing | 1.35Å | 1.37Å | Aromatic |
| CAP | CAO | sing | 1.47Å | 1.53Å | |
| CAO | OAB | doub | 1.22Å | 1.22Å | |
| CAO | NAL | sing | 1.35Å | 1.34Å | |
| NAL | CAK | sing | 1.46Å | 1.47Å | |
| CAK | CAT | sing | 1.53Å | 1.53Å | |
| CAT | NAM | sing | 1.47Å | 1.47Å | |
| CAT | CAV | sing | 1.53Å | 1.53Å | |
| NAM | CAS | sing | 1.47Å | 1.47Å | |
| CAS | CAA | sing | 1.53Å | 1.53Å | |
| CAS | CAU | sing | 1.53Å | 1.54Å | |
| CAU | OAC | sing | 1.43Å | 1.43Å | |
| CAU | CAW | sing | 1.53Å | 1.53Å | |
| CAW | OAE | sing | 1.43Å | 1.43Å | |
| CAW | CAV | sing | 1.53Å | 1.53Å | |
| CAV | OAD | sing | 1.43Å | 1.43Å | |
| CAJ | HAJ | sing | 1.08Å | 1.08Å | |
| CAH | HAH | sing | 1.08Å | 1.08Å | |
| CAF | HAF | sing | 1.08Å | 1.08Å | |
| CAG | HAG | sing | 1.08Å | 1.08Å | |
| CAI | HAI | sing | 1.08Å | 1.08Å | |
| NAL | HNAL | sing | 0.97Å | 1.00Å | |
| CAK | HAK | sing | 1.09Å | 1.10Å | |
| CAK | HAKA | sing | 1.09Å | 1.10Å | |
| CAT | HAT | sing | 1.09Å | 1.10Å | |
| NAM | HNAM | sing | 1.01Å | 1.00Å | |
| CAS | HAS | 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 | |
| CAU | HAU | sing | 1.09Å | 1.10Å | |
| OAC | HOAC | sing | 0.97Å | 0.95Å | |
| CAW | HAW | sing | 1.09Å | 1.10Å | |
| OAE | HOAE | sing | 0.97Å | 0.95Å | |
| CAV | HAV | 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) |
| CAQ | CAJ | CAP | 108.0° | 106.1° |
| CAJ | CAQ | CAH | 132.0° | 134.2° |
| CAJ | CAQ | CAR | 108.4° | 105.8° |
| CAQ | CAJ | HAJ | 126.0° | 127.0° |
| CAJ | CAP | OAN | 110.3° | 109.8° |
| CAJ | CAP | CAO | 126.0° | 125.2° |
| CAP | CAJ | HAJ | 126.0° | 126.9° |
| CAH | CAQ | CAR | 119.4° | 120.0° |
| CAQ | CAH | CAF | 119.9° | 119.7° |
| CAQ | CAH | HAH | 120.1° | 120.1° |
| CAQ | CAR | CAI | 121.0° | 119.2° |
| CAQ | CAR | OAN | 106.8° | 107.6° |
| CAH | CAF | CAG | 120.6° | 120.5° |
| CAF | CAH | HAH | 120.0° | 120.1° |
| CAH | CAF | HAF | 119.7° | 119.8° |
| CAF | CAG | CAI | 119.8° | 120.7° |
| CAG | CAF | HAF | 119.7° | 119.8° |
| CAF | CAG | HAG | 120.1° | 119.6° |
| CAG | CAI | CAR | 119.4° | 119.8° |
| CAI | CAG | HAG | 120.1° | 119.6° |
| CAG | CAI | HAI | 120.3° | 120.1° |
| CAI | CAR | OAN | 131.9° | 133.2° |
| CAR | CAI | HAI | 120.3° | 120.1° |
| CAR | OAN | CAP | 106.5° | 110.8° |
| OAN | CAP | CAO | 120.8° | 125.1° |
| CAP | CAO | OAB | 119.4° | 120.0° |
| CAP | CAO | NAL | 115.9° | 120.0° |
| OAB | CAO | NAL | 124.6° | 120.0° |
| CAO | NAL | CAK | 122.4° | 120.0° |
| CAO | NAL | HNAL | 118.8° | 120.0° |
| NAL | CAK | CAT | 111.0° | 109.5° |
| CAK | NAL | HNAL | 118.8° | 120.0° |
| NAL | CAK | HAK | 109.0° | 109.5° |
| NAL | CAK | HAKA | 108.6° | 109.4° |
| CAK | CAT | NAM | 111.0° | 109.5° |
| CAK | CAT | CAV | 111.4° | 109.4° |
| CAT | CAK | HAK | 109.0° | 109.5° |
| CAT | CAK | HAKA | 108.6° | 109.5° |
| CAK | CAT | HAT | 106.6° | 109.5° |
| NAM | CAT | CAV | 107.9° | 109.5° |
| CAT | NAM | CAS | 110.8° | 111.2° |
| NAM | CAT | HAT | 110.1° | 109.5° |
| CAT | NAM | HNAM | 109.0° | 110.9° |
| CAT | CAV | CAW | 108.9° | 109.3° |
| CAT | CAV | OAD | 110.9° | 109.5° |
| CAV | CAT | HAT | 109.8° | 109.4° |
| CAT | CAV | HAV | 108.7° | 109.5° |
| NAM | CAS | CAA | 108.8° | 109.5° |
| NAM | CAS | CAU | 112.7° | 109.6° |
| CAS | NAM | HNAM | 109.0° | 111.0° |
| NAM | CAS | HAS | 108.2° | 109.4° |
| CAA | CAS | CAU | 110.9° | 109.5° |
| CAA | CAS | HAS | 110.1° | 109.4° |
| CAS | CAA | HAA | 109.5° | 109.4° |
| CAS | CAA | HAAA | 109.5° | 109.5° |
| CAS | CAA | HAAB | 109.4° | 109.5° |
| CAS | CAU | OAC | 110.7° | 109.5° |
| CAS | CAU | CAW | 108.6° | 109.3° |
| CAU | CAS | HAS | 106.0° | 109.4° |
| CAS | CAU | HAU | 108.8° | 109.5° |
| OAC | CAU | CAW | 108.1° | 109.5° |
| OAC | CAU | HAU | 109.3° | 109.5° |
| CAU | OAC | HOAC | 109.5° | 114.0° |
| CAU | CAW | OAE | 111.5° | 109.5° |
| CAU | CAW | CAV | 107.8° | 109.2° |
| CAW | CAU | HAU | 111.4° | 109.6° |
| CAU | CAW | HAW | 109.2° | 109.5° |
| OAE | CAW | CAV | 109.2° | 109.6° |
| OAE | CAW | HAW | 107.7° | 109.5° |
| CAW | OAE | HOAE | 109.5° | 114.0° |
| CAW | CAV | OAD | 108.9° | 109.5° |
| CAV | CAW | HAW | 111.5° | 109.6° |
| CAW | CAV | HAV | 110.7° | 109.5° |
| OAD | CAV | HAV | 108.7° | 109.5° |
| CAV | OAD | HOAD | 109.5° | 114.0° |
| HAK | CAK | HAKA | 110.6° | 109.5° |
| HAA | CAA | HAAA | 109.4° | 109.5° |
| HAA | CAA | HAAB | 109.5° | 109.4° |
| HAAA | CAA | HAAB | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAQ | CAJ | CAP | HAJ | 180.0° | 179.8° |
| CAJ | CAQ | CAH | CAR | 173.7° | 179.9° |
| CAJ | CAQ | CAH | CAF | 173.3° | 180.0° |
| CAJ | CAQ | CAR | CAI | 174.9° | 180.0° |
| CAJ | CAQ | CAR | OAN | 0.1° | 0.0° |
| CAQ | CAJ | CAP | OAN | 1.6° | 0.0° |
| CAQ | CAJ | CAP | CAO | 159.0° | 180.0° |
| CAJ | CAQ | CAH | HAH | 6.7° | 0.2° |
| CAP | CAJ | CAQ | CAH | 173.3° | 179.9° |
| CAP | CAJ | CAQ | CAR | 0.9° | 0.0° |
| CAJ | CAP | OAN | CAR | 1.7° | 0.0° |
| CAJ | CAP | OAN | CAO | 161.8° | 180.0° |
| CAJ | CAP | CAO | OAB | 168.1° | 0.0° |
| CAJ | CAP | CAO | NAL | 15.5° | 180.0° |
| CAQ | CAH | CAF | HAH | 180.0° | 179.9° |
| CAQ | CAH | CAF | CAG | 0.2° | 0.1° |
| CAH | CAQ | CAR | CAI | 0.2° | 0.1° |
| CAH | CAQ | CAR | OAN | 175.2° | 179.9° |
| CAH | CAQ | CAJ | HAJ | 6.7° | 0.2° |
| CAQ | CAH | CAF | HAF | 179.8° | 180.0° |
| CAR | CAQ | CAH | CAF | 0.4° | 0.1° |
| CAQ | CAR | CAI | CAG | 0.2° | 0.0° |
| CAQ | CAR | CAI | OAN | 173.6° | 180.0° |
| CAQ | CAR | OAN | CAP | 1.1° | 0.0° |
| CAR | CAQ | CAJ | HAJ | 179.1° | 179.7° |
| CAR | CAQ | CAH | HAH | 179.6° | 179.9° |
| CAQ | CAR | CAI | HAI | 179.8° | 180.0° |
| CAH | CAF | CAG | HAF | 180.0° | 180.0° |
| CAH | CAF | CAG | CAI | 0.1° | 0.0° |
| CAH | CAF | CAG | HAG | 179.9° | 180.0° |
| CAF | CAG | CAI | HAG | 180.0° | 180.0° |
| CAF | CAG | CAI | CAR | 0.4° | 0.0° |
| CAG | CAF | CAH | HAH | 179.7° | 179.9° |
| CAF | CAG | CAI | HAI | 179.6° | 180.0° |
| CAG | CAI | CAR | HAI | 180.0° | 180.0° |
| CAG | CAI | CAR | OAN | 173.4° | 180.0° |
| CAI | CAG | CAF | HAF | 179.9° | 180.0° |
| CAI | CAR | OAN | CAP | 173.2° | 180.0° |
| CAR | CAI | CAG | HAG | 179.7° | 180.0° |
| CAR | OAN | CAP | CAO | 160.1° | 180.0° |
| OAN | CAR | CAI | HAI | 6.6° | 0.0° |
| OAN | CAP | CAO | OAB | 33.2° | 180.0° |
| OAN | CAP | CAO | NAL | 143.3° | 0.0° |
| OAN | CAP | CAJ | HAJ | 178.4° | 179.7° |
| CAP | CAO | OAB | NAL | 176.2° | 180.0° |
| CAP | CAO | NAL | CAK | 178.5° | 180.0° |
| CAO | CAP | CAJ | HAJ | 20.9° | 0.3° |
| CAP | CAO | NAL | HNAL | 1.5° | 0.0° |
| OAB | CAO | NAL | CAK | 2.2° | 0.0° |
| OAB | CAO | NAL | HNAL | 177.8° | 180.0° |
| CAO | NAL | CAK | HNAL | 180.0° | 180.0° |
| CAO | NAL | CAK | CAT | 164.2° | 180.0° |
| CAO | NAL | CAK | HAK | 44.2° | 60.0° |
| CAO | NAL | CAK | HAKA | 76.4° | 60.0° |
| NAL | CAK | CAT | HAK | 120.0° | 120.0° |
| NAL | CAK | CAT | HAKA | 119.4° | 120.0° |
| NAL | CAK | CAT | NAM | 64.8° | 55.0° |
| NAL | CAK | CAT | CAV | 174.9° | 175.0° |
| NAL | CAK | HAK | HAKA | 119.4° | 119.9° |
| NAL | CAK | CAT | HAT | 55.2° | 65.0° |
| CAK | CAT | NAM | CAV | 122.3° | 120.0° |
| CAK | CAT | NAM | HAT | 117.9° | 120.1° |
| CAK | CAT | CAV | HAT | 117.8° | 120.0° |
| CAK | CAT | NAM | CAS | 177.0° | 178.3° |
| CAK | CAT | CAV | CAW | 173.6° | 179.2° |
| CAK | CAT | CAV | OAD | 53.7° | 60.9° |
| CAT | CAK | NAL | HNAL | 15.8° | 0.0° |
| CAT | CAK | HAK | HAKA | 119.3° | 120.0° |
| CAK | CAT | NAM | HNAM | 57.0° | 54.2° |
| CAK | CAT | CAV | HAV | 65.7° | 59.2° |
| NAM | CAT | CAV | HAT | 120.0° | 120.0° |
| CAT | NAM | CAS | HNAM | 120.0° | 124.0° |
| CAT | NAM | CAS | CAA | 178.6° | 178.2° |
| CAT | NAM | CAS | CAU | 57.9° | 61.8° |
| NAM | CAT | CAV | CAW | 64.3° | 59.2° |
| NAM | CAT | CAV | OAD | 175.9° | 179.1° |
| NAM | CAT | CAK | HAK | 55.2° | 65.0° |
| NAM | CAT | CAK | HAKA | 175.8° | 175.0° |
| CAT | NAM | CAS | HAS | 59.0° | 58.2° |
| NAM | CAT | CAV | HAV | 56.4° | 60.8° |
| CAV | CAT | NAM | CAS | 60.7° | 61.7° |
| CAT | CAV | CAW | CAU | 63.2° | 57.7° |
| CAT | CAV | CAW | OAE | 175.5° | 177.6° |
| CAT | CAV | CAW | OAD | 121.1° | 119.9° |
| CAT | CAV | CAW | HAV | 119.4° | 120.0° |
| CAT | CAV | OAD | HAV | 119.4° | 120.1° |
| CAV | CAT | CAK | HAK | 65.1° | 55.0° |
| CAV | CAT | CAK | HAKA | 55.5° | 65.0° |
| CAV | CAT | NAM | HNAM | 179.3° | 174.2° |
| CAT | CAV | CAW | HAW | 56.6° | 62.3° |
| CAT | CAV | OAD | HOAD | 9.5° | 180.0° |
| NAM | CAS | CAA | CAU | 124.5° | 120.1° |
| NAM | CAS | CAA | HAS | 118.5° | 119.9° |
| NAM | CAS | CAU | HAS | 118.2° | 120.0° |
| NAM | CAS | CAU | OAC | 62.7° | 60.7° |
| NAM | CAS | CAU | CAW | 55.8° | 59.1° |
| CAS | NAM | CAT | HAT | 59.2° | 58.2° |
| NAM | CAS | CAA | HAA | 130.8° | 60.0° |
| NAM | CAS | CAA | HAAA | 109.3° | 180.0° |
| NAM | CAS | CAA | HAAB | 10.8° | 60.0° |
| NAM | CAS | CAU | HAU | 177.2° | 179.1° |
| CAA | CAS | CAU | HAS | 119.5° | 119.9° |
| CAA | CAS | CAU | OAC | 59.5° | 59.3° |
| CAA | CAS | CAU | CAW | 178.0° | 179.2° |
| CAA | CAS | NAM | HNAM | 58.6° | 54.1° |
| CAS | CAA | HAA | HAAA | 120.0° | 120.0° |
| CAS | CAA | HAA | HAAB | 120.0° | 120.0° |
| CAS | CAA | HAAA | HAAB | 120.0° | 120.0° |
| CAA | CAS | CAU | HAU | 60.6° | 60.8° |
| CAS | CAU | OAC | CAW | 118.8° | 119.7° |
| CAS | CAU | OAC | HAU | 119.8° | 120.1° |
| CAS | CAU | CAW | HAU | 119.8° | 120.0° |
| CAS | CAU | CAW | OAE | 177.3° | 177.6° |
| CAS | CAU | CAW | CAV | 57.5° | 57.6° |
| CAU | CAS | NAM | HNAM | 177.9° | 174.2° |
| CAU | CAS | CAA | HAA | 6.3° | 60.1° |
| CAU | CAS | CAA | HAAA | 126.2° | 59.9° |
| CAU | CAS | CAA | HAAB | 113.7° | 179.9° |
| CAS | CAU | OAC | HOAC | 141.8° | 180.0° |
| CAS | CAU | CAW | HAW | 63.7° | 62.4° |
| OAC | CAU | CAW | HAU | 120.1° | 120.1° |
| OAC | CAU | CAW | OAE | 57.2° | 57.7° |
| OAC | CAU | CAW | CAV | 62.6° | 62.3° |
| OAC | CAU | CAS | HAS | 179.1° | 179.2° |
| OAC | CAU | CAW | HAW | 176.1° | 177.7° |
| CAU | CAW | OAE | CAV | 119.0° | 119.7° |
| CAU | CAW | OAE | HAW | 119.8° | 120.0° |
| CAU | CAW | CAV | HAW | 119.8° | 119.9° |
| CAU | CAW | CAV | OAD | 175.7° | 177.6° |
| CAW | CAU | CAS | HAS | 62.4° | 60.9° |
| CAW | CAU | OAC | HOAC | 99.4° | 60.2° |
| CAU | CAW | OAE | HOAE | 168.1° | 60.0° |
| CAU | CAW | CAV | HAV | 56.2° | 62.3° |
| OAE | CAW | CAV | HAW | 118.9° | 120.2° |
| OAE | CAW | CAV | OAD | 54.4° | 62.5° |
| OAE | CAW | CAU | HAU | 62.9° | 62.5° |
| OAE | CAW | CAV | HAV | 65.1° | 57.6° |
| CAW | CAV | OAD | HAV | 120.7° | 120.1° |
| CAW | CAV | CAT | HAT | 55.8° | 60.9° |
| CAV | CAW | CAU | HAU | 177.3° | 177.6° |
| CAV | CAW | OAE | HOAE | 72.9° | 179.7° |
| CAW | CAV | OAD | HOAD | 129.3° | 60.2° |
| OAD | CAV | CAT | HAT | 64.1° | 59.1° |
| OAD | CAV | CAW | HAW | 64.5° | 57.7° |
| HAH | CAH | CAF | HAF | 0.3° | 0.1° |
| HAF | CAF | CAG | HAG | 0.1° | 0.0° |
| HAG | CAG | CAI | HAI | 0.3° | 0.0° |
| HNAL | NAL | CAK | HAK | 135.8° | 120.0° |
| HNAL | NAL | CAK | HAKA | 103.6° | 120.0° |
| HAK | CAK | CAT | HAT | 175.2° | 174.9° |
| HAKA | CAK | CAT | HAT | 64.2° | 54.9° |
| HAT | CAT | NAM | HNAM | 60.8° | 65.9° |
| HAT | CAT | CAV | HAV | 176.4° | 179.2° |
| HNAM | NAM | CAS | HAS | 61.0° | 65.8° |
| HAS | CAS | CAA | HAA | 110.7° | 179.9° |
| HAS | CAS | CAA | HAAA | 9.2° | 60.1° |
| HAS | CAS | CAA | HAAB | 129.2° | 60.0° |
| HAS | CAS | CAU | HAU | 58.9° | 59.1° |
| HAA | CAA | HAAA | HAAB | 120.0° | 120.0° |
| HAU | CAU | OAC | HOAC | 22.0° | 59.9° |
| HAU | CAU | CAW | HAW | 56.1° | 57.6° |
| HAW | CAW | OAE | HOAE | 48.4° | 60.0° |
| HAW | CAW | CAV | HAV | 176.0° | 177.8° |
| HAV | CAV | OAD | HOAD | 110.0° | 59.9° |






