ZIN
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAC | CAA | sing | 1.51Å | 1.53Å | |
| CAF | CAA | doub | 1.39Å | 1.39Å | Aromatic |
| CAA | CAB | sing | 1.37Å | 1.39Å | Aromatic |
| CAB | OAM | sing | 1.36Å | 1.36Å | |
| CAB | CAD | doub | 1.41Å | 1.39Å | Aromatic |
| CAH | CAC | sing | 1.51Å | 1.53Å | |
| CAC | HAC | sing | 1.09Å | 1.10Å | |
| CAC | HACA | sing | 1.09Å | 1.10Å | |
| CAJ | CAD | sing | 1.42Å | 1.39Å | Aromatic |
| CAD | NAG | sing | 1.34Å | 1.34Å | Aromatic |
| CAF | CAK | sing | 1.36Å | 1.39Å | Aromatic |
| CAF | HAF | sing | 1.08Å | 1.08Å | |
| NAG | CAT | doub | 1.31Å | 1.32Å | Aromatic |
| NAI | CAH | doub | 1.32Å | 1.34Å | Aromatic |
| CAV | CAH | sing | 1.38Å | 1.39Å | Aromatic |
| CAU | NAI | sing | 1.32Å | 1.32Å | Aromatic |
| CAK | CAJ | doub | 1.40Å | 1.39Å | Aromatic |
| CAJ | CAW | sing | 1.41Å | 1.39Å | Aromatic |
| CAK | HAK | sing | 1.08Å | 1.08Å | |
| OAM | HOAM | sing | 0.97Å | 0.95Å | |
| CAY | CAT | sing | 1.39Å | 1.39Å | Aromatic |
| CAT | HAT | sing | 1.08Å | 1.08Å | |
| CAZ | CAU | doub | 1.38Å | 1.39Å | Aromatic |
| CAU | HAU | sing | 1.08Å | 1.08Å | |
| CBA | CAV | doub | 1.39Å | 1.39Å | Aromatic |
| CAV | HAV | sing | 1.08Å | 1.08Å | |
| CAW | CAY | doub | 1.37Å | 1.39Å | Aromatic |
| CAW | HAW | sing | 1.08Å | 1.08Å | |
| CAY | HAY | sing | 1.08Å | 1.08Å | |
| CAZ | CBA | sing | 1.39Å | 1.39Å | Aromatic |
| CAZ | HAZ | sing | 1.08Å | 1.08Å | |
| CBA | HBA | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAC | CAA | CAF | 120.0° | 119.5° |
| CAC | CAA | CAB | 120.0° | 119.5° |
| CAA | CAC | CAH | 108.1° | 109.4° |
| CAA | CAC | HAC | 109.9° | 109.5° |
| CAA | CAC | HACA | 109.9° | 109.5° |
| CAF | CAA | CAB | 120.0° | 121.0° |
| CAA | CAF | CAK | 120.1° | 120.9° |
| CAA | CAF | HAF | 120.0° | 119.5° |
| CAA | CAB | OAM | 120.2° | 120.2° |
| CAA | CAB | CAD | 120.0° | 119.6° |
| OAM | CAB | CAD | 119.8° | 120.2° |
| CAB | OAM | HOAM | 109.5° | 114.0° |
| CAB | CAD | CAJ | 119.9° | 119.0° |
| CAB | CAD | NAG | 120.0° | 121.1° |
| CAH | CAC | HAC | 109.9° | 109.4° |
| CAH | CAC | HACA | 109.9° | 109.5° |
| CAC | CAH | NAI | 119.6° | 119.6° |
| CAC | CAH | CAV | 120.2° | 119.7° |
| HAC | CAC | HACA | 109.0° | 109.5° |
| CAJ | CAD | NAG | 120.1° | 119.9° |
| CAD | CAJ | CAK | 120.3° | 119.7° |
| CAD | CAJ | CAW | 119.0° | 119.0° |
| CAD | NAG | CAT | 122.2° | 121.3° |
| CAK | CAF | HAF | 119.9° | 119.5° |
| CAF | CAK | CAJ | 119.7° | 119.7° |
| CAF | CAK | HAK | 120.1° | 120.1° |
| NAG | CAT | CAY | 120.5° | 121.7° |
| NAG | CAT | HAT | 119.7° | 119.1° |
| NAI | CAH | CAV | 120.2° | 120.7° |
| CAH | NAI | CAU | 122.2° | 121.8° |
| CAH | CAV | CBA | 118.7° | 119.2° |
| CAH | CAV | HAV | 120.7° | 120.4° |
| NAI | CAU | CAZ | 120.4° | 120.7° |
| NAI | CAU | HAU | 119.8° | 119.7° |
| CAK | CAJ | CAW | 120.7° | 121.3° |
| CAJ | CAK | HAK | 120.1° | 120.2° |
| CAJ | CAW | CAY | 119.3° | 118.1° |
| CAJ | CAW | HAW | 120.4° | 120.9° |
| CAY | CAT | HAT | 119.7° | 119.2° |
| CAT | CAY | CAW | 119.0° | 119.9° |
| CAT | CAY | HAY | 120.5° | 120.0° |
| CAZ | CAU | HAU | 119.8° | 119.6° |
| CAU | CAZ | CBA | 119.0° | 119.2° |
| CAU | CAZ | HAZ | 120.5° | 120.4° |
| CBA | CAV | HAV | 120.6° | 120.3° |
| CAV | CBA | CAZ | 119.5° | 118.4° |
| CAV | CBA | HBA | 120.3° | 120.9° |
| CAY | CAW | HAW | 120.3° | 120.9° |
| CAW | CAY | HAY | 120.5° | 120.1° |
| CBA | CAZ | HAZ | 120.5° | 120.4° |
| CAZ | CBA | HBA | 120.3° | 120.7° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAC | CAA | CAF | CAB | 176.2° | 179.8° |
| CAC | CAA | CAB | OAM | 4.9° | 0.0° |
| CAC | CAA | CAB | CAD | 175.4° | 180.0° |
| CAA | CAC | CAH | HAC | 120.0° | 120.0° |
| CAA | CAC | CAH | HACA | 120.0° | 120.0° |
| CAA | CAC | HAC | HACA | 120.5° | 120.1° |
| CAC | CAA | CAF | CAK | 175.6° | 179.8° |
| CAC | CAA | CAF | HAF | 4.4° | 0.2° |
| CAA | CAC | CAH | NAI | 91.0° | 55.0° |
| CAA | CAC | CAH | CAV | 87.4° | 124.7° |
| CAF | CAA | CAB | OAM | 178.8° | 179.7° |
| CAF | CAA | CAB | CAD | 0.8° | 0.2° |
| CAF | CAA | CAC | CAH | 70.7° | 94.7° |
| CAF | CAA | CAC | HAC | 169.3° | 25.2° |
| CAF | CAA | CAC | HACA | 49.3° | 145.3° |
| CAA | CAF | CAK | HAF | 180.0° | 179.9° |
| CAA | CAF | CAK | CAJ | 0.0° | 0.5° |
| CAA | CAF | CAK | HAK | 179.9° | 180.0° |
| CAA | CAB | OAM | CAD | 179.6° | 180.0° |
| CAB | CAA | CAC | CAH | 105.5° | 85.1° |
| CAB | CAA | CAC | HAC | 14.5° | 155.0° |
| CAB | CAA | CAC | HACA | 134.5° | 34.9° |
| CAA | CAB | CAD | CAJ | 0.3° | 0.0° |
| CAA | CAB | CAD | NAG | 177.9° | 180.0° |
| CAB | CAA | CAF | CAK | 0.7° | 0.0° |
| CAB | CAA | CAF | HAF | 179.3° | 180.0° |
| CAA | CAB | OAM | HOAM | 180.0° | 90.0° |
| OAM | CAB | CAD | CAJ | 179.3° | 180.0° |
| OAM | CAB | CAD | NAG | 2.5° | 0.0° |
| CAB | CAD | CAJ | NAG | 178.2° | 180.0° |
| CAB | CAD | NAG | CAT | 177.9° | 180.0° |
| CAB | CAD | CAJ | CAK | 0.3° | 0.5° |
| CAB | CAD | CAJ | CAW | 178.0° | 180.0° |
| CAD | CAB | OAM | HOAM | 0.4° | 90.0° |
| CAH | CAC | HAC | HACA | 120.5° | 120.0° |
| CAC | CAH | NAI | CAV | 178.4° | 179.7° |
| CAC | CAH | NAI | CAU | 178.1° | 180.0° |
| CAC | CAH | CAV | CBA | 178.1° | 180.0° |
| CAC | CAH | CAV | HAV | 1.9° | 0.0° |
| HAC | CAC | CAH | NAI | 149.0° | 175.0° |
| HAC | CAC | CAH | CAV | 32.7° | 4.7° |
| HACA | CAC | CAH | NAI | 29.0° | 65.0° |
| HACA | CAC | CAH | CAV | 152.6° | 115.3° |
| CAD | CAJ | CAK | CAF | 0.5° | 0.7° |
| CAJ | CAD | NAG | CAT | 0.3° | 0.0° |
| CAD | CAJ | CAK | CAW | 178.3° | 179.4° |
| CAD | CAJ | CAK | HAK | 179.6° | 179.7° |
| CAD | CAJ | CAW | CAY | 0.1° | 0.0° |
| CAD | CAJ | CAW | HAW | 179.9° | 180.0° |
| NAG | CAD | CAJ | CAK | 178.5° | 179.5° |
| NAG | CAD | CAJ | CAW | 0.2° | 0.0° |
| CAD | NAG | CAT | CAY | 0.2° | 0.0° |
| CAD | NAG | CAT | HAT | 179.9° | 180.0° |
| CAF | CAK | CAJ | HAK | 180.0° | 179.5° |
| CAF | CAK | CAJ | CAW | 177.9° | 179.8° |
| HAF | CAF | CAK | CAJ | 180.0° | 179.5° |
| HAF | CAF | CAK | HAK | 0.1° | 0.1° |
| NAG | CAT | CAY | HAT | 180.0° | 180.0° |
| NAG | CAT | CAY | CAW | 0.1° | 0.0° |
| NAG | CAT | CAY | HAY | 179.9° | 180.0° |
| CAH | NAI | CAU | CAZ | 0.1° | 0.0° |
| CAH | NAI | CAU | HAU | 179.9° | 180.0° |
| NAI | CAH | CAV | CBA | 0.3° | 0.2° |
| NAI | CAH | CAV | HAV | 179.7° | 179.7° |
| CAV | CAH | NAI | CAU | 0.3° | 0.3° |
| CAH | CAV | CBA | HAV | 180.0° | 180.0° |
| CAH | CAV | CBA | CAZ | 0.1° | 0.0° |
| CAH | CAV | CBA | HBA | 179.9° | 179.7° |
| NAI | CAU | CAZ | HAU | 180.0° | 180.0° |
| NAI | CAU | CAZ | CBA | 0.1° | 0.3° |
| NAI | CAU | CAZ | HAZ | 179.9° | 180.0° |
| CAK | CAJ | CAW | CAY | 178.3° | 179.5° |
| CAK | CAJ | CAW | HAW | 1.7° | 0.6° |
| CAW | CAJ | CAK | HAK | 2.1° | 0.3° |
| CAJ | CAW | CAY | CAT | 0.2° | 0.0° |
| CAJ | CAW | CAY | HAW | 180.0° | 180.0° |
| CAJ | CAW | CAY | HAY | 179.8° | 180.0° |
| CAT | CAY | CAW | HAY | 180.0° | 180.0° |
| CAT | CAY | CAW | HAW | 179.8° | 180.0° |
| HAT | CAT | CAY | CAW | 179.9° | 180.0° |
| HAT | CAT | CAY | HAY | 0.1° | 0.0° |
| CAU | CAZ | CBA | CAV | 0.1° | 0.3° |
| CAU | CAZ | CBA | HAZ | 180.0° | 179.7° |
| CAU | CAZ | CBA | HBA | 179.9° | 180.0° |
| HAU | CAU | CAZ | CBA | 179.9° | 179.7° |
| HAU | CAU | CAZ | HAZ | 0.1° | 0.0° |
| CAV | CBA | CAZ | HBA | 180.0° | 179.7° |
| CAV | CBA | CAZ | HAZ | 179.9° | 180.0° |
| HAV | CAV | CBA | CAZ | 179.9° | 180.0° |
| HAV | CAV | CBA | HBA | 0.1° | 0.3° |
| HAW | CAW | CAY | HAY | 0.2° | 0.0° |
| HAZ | CAZ | CBA | HBA | 0.1° | 0.3° |
