ZNP
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAF | CAG | doub | 1.38Å | 1.39Å | Aromatic |
| CAF | CAE | sing | 1.38Å | 1.39Å | Aromatic |
| CAG | CAH | sing | 1.38Å | 1.39Å | Aromatic |
| CAH | CAI | doub | 1.38Å | 1.39Å | Aromatic |
| CAI | CAJ | sing | 1.38Å | 1.39Å | Aromatic |
| CAJ | CAE | doub | 1.38Å | 1.39Å | Aromatic |
| CAE | CAD | sing | 1.51Å | 1.53Å | |
| CAD | CAB | sing | 1.53Å | 1.53Å | |
| CAB | CAA | sing | 1.53Å | 1.53Å | |
| CAB | CAC | sing | 1.51Å | 1.53Å | |
| CAA | NAK | sing | 1.47Å | 1.47Å | |
| NAK | OAN | sing | 1.22Å | 1.42Å | |
| NAK | OAM | doub | 1.22Å | 1.42Å | |
| CAC | OAO | doub | 1.21Å | 1.23Å | |
| CAC | NAL | sing | 1.35Å | 1.33Å | |
| CAF | HAF | sing | 1.08Å | 1.08Å | |
| CAG | HAG | sing | 1.08Å | 1.08Å | |
| CAH | HAH | sing | 1.08Å | 1.08Å | |
| CAI | HAI | sing | 1.08Å | 1.08Å | |
| CAJ | HAJ | sing | 1.08Å | 1.08Å | |
| CAD | HAD | sing | 1.09Å | 1.10Å | |
| CAD | HADA | sing | 1.09Å | 1.10Å | |
| CAB | HAB | sing | 1.09Å | 1.10Å | |
| CAA | HAA | sing | 1.09Å | 1.10Å | |
| CAA | HAAA | sing | 1.09Å | 1.10Å | |
| NAL | HNAL | sing | 0.97Å | 1.00Å | |
| NAL | HNAA | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAG | CAF | CAE | 120.0° | 120.1° |
| CAF | CAG | CAH | 120.0° | 120.0° |
| CAG | CAF | HAF | 120.0° | 120.0° |
| CAF | CAG | HAG | 120.0° | 120.0° |
| CAF | CAE | CAJ | 120.1° | 120.0° |
| CAF | CAE | CAD | 120.1° | 120.0° |
| CAE | CAF | HAF | 120.0° | 120.0° |
| CAG | CAH | CAI | 120.0° | 120.0° |
| CAH | CAG | HAG | 120.0° | 120.0° |
| CAG | CAH | HAH | 120.0° | 120.0° |
| CAH | CAI | CAJ | 120.0° | 120.0° |
| CAI | CAH | HAH | 120.0° | 120.0° |
| CAH | CAI | HAI | 120.0° | 119.9° |
| CAI | CAJ | CAE | 119.9° | 120.0° |
| CAJ | CAI | HAI | 120.0° | 120.0° |
| CAI | CAJ | HAJ | 120.0° | 120.0° |
| CAJ | CAE | CAD | 119.9° | 120.0° |
| CAE | CAJ | HAJ | 120.0° | 120.0° |
| CAE | CAD | CAB | 111.7° | 109.4° |
| CAE | CAD | HAD | 108.7° | 109.4° |
| CAE | CAD | HADA | 108.2° | 109.5° |
| CAD | CAB | CAA | 109.1° | 109.5° |
| CAD | CAB | CAC | 110.0° | 109.5° |
| CAB | CAD | HAD | 108.7° | 109.5° |
| CAB | CAD | HADA | 108.2° | 109.5° |
| CAD | CAB | HAB | 109.4° | 109.5° |
| CAA | CAB | CAC | 109.6° | 109.5° |
| CAB | CAA | NAK | 109.0° | 109.4° |
| CAA | CAB | HAB | 109.8° | 109.5° |
| CAB | CAA | HAA | 109.6° | 109.4° |
| CAB | CAA | HAAA | 109.7° | 109.4° |
| CAB | CAC | OAO | 121.0° | 120.0° |
| CAB | CAC | NAL | 115.1° | 120.0° |
| CAC | CAB | HAB | 108.9° | 109.4° |
| CAA | NAK | OAN | 119.5° | 120.0° |
| CAA | NAK | OAM | 120.3° | 120.0° |
| NAK | CAA | HAA | 109.6° | 109.5° |
| NAK | CAA | HAAA | 109.7° | 109.5° |
| OAN | NAK | OAM | 120.2° | 120.0° |
| OAO | CAC | NAL | 123.9° | 120.0° |
| CAC | NAL | HNAL | 109.7° | 120.0° |
| CAC | NAL | HNAA | 125.2° | 120.0° |
| HAD | CAD | HADA | 111.2° | 109.5° |
| HAA | CAA | HAAA | 109.1° | 109.6° |
| HNAL | NAL | HNAA | 125.1° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAG | CAF | CAE | HAF | 180.0° | 179.8° |
| CAF | CAG | CAH | HAG | 180.0° | 179.9° |
| CAF | CAG | CAH | CAI | 0.0° | 0.1° |
| CAG | CAF | CAE | CAJ | 0.0° | 0.2° |
| CAG | CAF | CAE | CAD | 180.0° | 180.0° |
| CAF | CAG | CAH | HAH | 180.0° | 180.0° |
| CAE | CAF | CAG | CAH | 0.0° | 0.1° |
| CAF | CAE | CAJ | CAI | 0.0° | 0.2° |
| CAF | CAE | CAJ | CAD | 180.0° | 179.8° |
| CAF | CAE | CAD | CAB | 71.3° | 96.2° |
| CAE | CAF | CAG | HAG | 179.9° | 180.0° |
| CAF | CAE | CAJ | HAJ | 180.0° | 179.9° |
| CAF | CAE | CAD | HAD | 168.7° | 143.9° |
| CAF | CAE | CAD | HADA | 47.8° | 23.9° |
| CAG | CAH | CAI | HAH | 180.0° | 179.9° |
| CAG | CAH | CAI | CAJ | 0.1° | 0.1° |
| CAH | CAG | CAF | HAF | 179.9° | 179.7° |
| CAG | CAH | CAI | HAI | 179.9° | 180.0° |
| CAH | CAI | CAJ | HAI | 180.0° | 179.9° |
| CAH | CAI | CAJ | CAE | 0.1° | 0.1° |
| CAI | CAH | CAG | HAG | 180.0° | 180.0° |
| CAH | CAI | CAJ | HAJ | 179.9° | 180.0° |
| CAI | CAJ | CAE | HAJ | 180.0° | 179.9° |
| CAI | CAJ | CAE | CAD | 179.9° | 180.0° |
| CAJ | CAI | CAH | HAH | 179.9° | 180.0° |
| CAJ | CAE | CAD | CAB | 108.7° | 84.0° |
| CAJ | CAE | CAF | HAF | 179.9° | 179.6° |
| CAE | CAJ | CAI | HAI | 179.9° | 179.9° |
| CAJ | CAE | CAD | HAD | 11.3° | 35.9° |
| CAJ | CAE | CAD | HADA | 132.2° | 155.9° |
| CAE | CAD | CAB | HAD | 120.0° | 119.9° |
| CAE | CAD | CAB | HADA | 119.1° | 120.0° |
| CAE | CAD | CAB | CAA | 118.1° | 65.6° |
| CAE | CAD | CAB | CAC | 121.6° | 174.5° |
| CAD | CAE | CAF | HAF | 0.0° | 0.2° |
| CAD | CAE | CAJ | HAJ | 0.1° | 0.1° |
| CAE | CAD | HAD | HADA | 119.1° | 120.0° |
| CAE | CAD | CAB | HAB | 2.1° | 54.5° |
| CAD | CAB | CAA | CAC | 120.5° | 120.0° |
| CAD | CAB | CAA | HAB | 119.9° | 120.1° |
| CAD | CAB | CAC | HAB | 119.9° | 120.1° |
| CAD | CAB | CAA | NAK | 64.8° | 175.0° |
| CAD | CAB | CAC | OAO | 51.2° | 35.9° |
| CAD | CAB | CAC | NAL | 129.1° | 144.1° |
| CAB | CAD | HAD | HADA | 119.1° | 120.1° |
| CAD | CAB | CAA | HAA | 175.2° | 65.0° |
| CAD | CAB | CAA | HAAA | 55.4° | 55.1° |
| CAA | CAB | CAC | HAB | 120.2° | 120.0° |
| CAB | CAA | NAK | HAA | 120.0° | 119.9° |
| CAB | CAA | NAK | HAAA | 120.2° | 119.9° |
| CAB | CAA | NAK | OAN | 53.5° | 135.0° |
| CAB | CAA | NAK | OAM | 126.2° | 45.0° |
| CAA | CAB | CAC | OAO | 171.1° | 84.0° |
| CAA | CAB | CAC | NAL | 9.2° | 96.0° |
| CAA | CAB | CAD | HAD | 121.9° | 174.5° |
| CAA | CAB | CAD | HADA | 0.9° | 54.5° |
| CAB | CAA | HAA | HAAA | 120.2° | 120.0° |
| CAC | CAB | CAA | NAK | 174.7° | 65.0° |
| CAB | CAC | OAO | NAL | 179.7° | 180.0° |
| CAC | CAB | CAD | HAD | 1.6° | 54.5° |
| CAC | CAB | CAD | HADA | 119.3° | 65.5° |
| CAC | CAB | CAA | HAA | 54.7° | 55.0° |
| CAC | CAB | CAA | HAAA | 65.1° | 175.0° |
| CAB | CAC | NAL | HNAL | 0.1° | 0.1° |
| CAB | CAC | NAL | HNAA | 179.9° | 179.9° |
| CAA | NAK | OAN | OAM | 179.7° | 180.0° |
| NAK | CAA | CAB | HAB | 55.1° | 55.0° |
| NAK | CAA | HAA | HAAA | 120.2° | 120.1° |
| OAN | NAK | CAA | HAA | 66.5° | 15.1° |
| OAN | NAK | CAA | HAAA | 173.7° | 105.0° |
| OAM | NAK | CAA | HAA | 113.8° | 164.9° |
| OAM | NAK | CAA | HAAA | 6.0° | 74.9° |
| OAO | CAC | CAB | HAB | 68.7° | 156.0° |
| OAO | CAC | NAL | HNAL | 179.8° | 179.9° |
| OAO | CAC | NAL | HNAA | 0.2° | 0.1° |
| NAL | CAC | CAB | HAB | 111.0° | 24.0° |
| CAC | NAL | HNAL | HNAA | 180.0° | 179.9° |
| HAF | CAF | CAG | HAG | 0.1° | 0.2° |
| HAG | CAG | CAH | HAH | 0.0° | 0.1° |
| HAH | CAH | CAI | HAI | 0.1° | 0.1° |
| HAI | CAI | CAJ | HAJ | 0.1° | 0.0° |
| HAD | CAD | CAB | HAB | 118.0° | 65.5° |
| HADA | CAD | CAB | HAB | 121.1° | 174.5° |
| HAB | CAB | CAA | HAA | 64.9° | 174.9° |
| HAB | CAB | CAA | HAAA | 175.3° | 65.0° |
