NNF
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAA | CAO | sing | 1.51Å | 1.49Å | |
| OAB | CAS | doub | 1.22Å | 1.19Å | |
| FAC | CAP | sing | 1.35Å | 1.29Å | |
| CAD | CAF | doub | 1.38Å | 1.38Å | Aromatic |
| CAD | CAP | sing | 1.38Å | 1.36Å | Aromatic |
| CAE | CAG | sing | 1.38Å | 1.38Å | Aromatic |
| CAE | CAP | doub | 1.38Å | 1.36Å | Aromatic |
| CAF | CAQ | sing | 1.39Å | 1.39Å | Aromatic |
| CAG | CAQ | doub | 1.39Å | 1.36Å | Aromatic |
| CAH | CAO | doub | 1.36Å | 1.38Å | |
| CAH | CAS | sing | 1.41Å | 1.37Å | |
| CAI | CAK | sing | 1.53Å | 1.48Å | |
| CAI | NAT | sing | 1.47Å | 1.42Å | |
| CAJ | CAL | sing | 1.53Å | 1.47Å | |
| CAJ | NAT | sing | 1.47Å | 1.43Å | |
| CAK | NAU | sing | 1.47Å | 1.44Å | |
| CAL | NAU | sing | 1.47Å | 1.45Å | |
| NAM | CAO | sing | 1.33Å | 1.30Å | |
| NAM | CAR | doub | 1.32Å | 1.28Å | |
| NAN | CAR | sing | 1.36Å | 1.35Å | |
| NAN | CAS | sing | 1.35Å | 1.34Å | |
| CAQ | NAT | sing | 1.40Å | 1.34Å | |
| CAR | NAU | sing | 1.37Å | 1.32Å | |
| CAA | HAA | sing | 1.09Å | 1.10Å | |
| CAA | HAAA | sing | 1.09Å | 1.10Å | |
| CAA | HAAB | sing | 1.09Å | 1.10Å | |
| CAD | HAD | sing | 1.08Å | 1.08Å | |
| CAE | HAE | sing | 1.08Å | 1.08Å | |
| CAF | HAF | sing | 1.08Å | 1.08Å | |
| CAG | HAG | sing | 1.08Å | 1.08Å | |
| CAH | HAH | sing | 1.08Å | 1.08Å | |
| CAI | HAI | sing | 1.09Å | 1.10Å | |
| CAI | HAIA | sing | 1.09Å | 1.10Å | |
| CAJ | HAJ | sing | 1.09Å | 1.10Å | |
| CAJ | HAJA | sing | 1.09Å | 1.10Å | |
| CAK | HAK | sing | 1.09Å | 1.10Å | |
| CAK | HAKA | sing | 1.09Å | 1.10Å | |
| CAL | HAL | sing | 1.09Å | 1.10Å | |
| CAL | HALA | sing | 1.09Å | 1.10Å | |
| NAN | HNAN | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAA | CAO | CAH | 124.2° | 119.9° |
| CAA | CAO | NAM | 116.3° | 120.0° |
| CAO | CAA | HAA | 109.5° | 109.4° |
| CAO | CAA | HAAA | 109.5° | 109.5° |
| CAO | CAA | HAAB | 109.5° | 109.5° |
| OAB | CAS | CAH | 122.2° | 120.7° |
| OAB | CAS | NAN | 118.6° | 120.6° |
| FAC | CAP | CAD | 119.5° | 119.9° |
| FAC | CAP | CAE | 118.3° | 120.0° |
| CAF | CAD | CAP | 117.1° | 120.0° |
| CAD | CAF | CAQ | 121.8° | 119.9° |
| CAF | CAD | HAD | 121.5° | 119.9° |
| CAD | CAF | HAF | 119.1° | 120.0° |
| CAD | CAP | CAE | 122.2° | 120.1° |
| CAP | CAD | HAD | 121.5° | 120.0° |
| CAG | CAE | CAP | 120.1° | 120.0° |
| CAE | CAG | CAQ | 119.1° | 120.0° |
| CAG | CAE | HAE | 119.9° | 120.0° |
| CAE | CAG | HAG | 120.4° | 120.0° |
| CAP | CAE | HAE | 119.9° | 120.0° |
| CAF | CAQ | CAG | 119.7° | 119.9° |
| CAF | CAQ | NAT | 121.0° | 120.1° |
| CAQ | CAF | HAF | 119.1° | 120.1° |
| CAG | CAQ | NAT | 119.2° | 120.0° |
| CAQ | CAG | HAG | 120.4° | 120.0° |
| CAO | CAH | CAS | 119.0° | 118.9° |
| CAH | CAO | NAM | 119.4° | 120.1° |
| CAO | CAH | HAH | 120.5° | 120.6° |
| CAH | CAS | NAN | 119.1° | 118.7° |
| CAS | CAH | HAH | 120.5° | 120.5° |
| CAK | CAI | NAT | 109.4° | 109.4° |
| CAI | CAK | NAU | 109.2° | 108.5° |
| CAK | CAI | HAI | 109.5° | 109.5° |
| CAK | CAI | HAIA | 109.5° | 109.4° |
| CAI | CAK | HAK | 109.6° | 109.6° |
| CAI | CAK | HAKA | 109.6° | 109.6° |
| CAI | NAT | CAJ | 121.5° | 111.3° |
| CAI | NAT | CAQ | 120.8° | 111.0° |
| NAT | CAI | HAI | 109.5° | 109.5° |
| NAT | CAI | HAIA | 109.5° | 109.5° |
| CAL | CAJ | NAT | 107.7° | 109.4° |
| CAJ | CAL | NAU | 107.8° | 108.5° |
| CAL | CAJ | HAJ | 110.0° | 109.5° |
| CAL | CAJ | HAJA | 110.0° | 109.5° |
| CAJ | CAL | HAL | 110.1° | 109.6° |
| CAJ | CAL | HALA | 110.1° | 109.6° |
| CAJ | NAT | CAQ | 117.7° | 111.0° |
| NAT | CAJ | HAJ | 110.1° | 109.5° |
| NAT | CAJ | HAJA | 110.1° | 109.5° |
| CAK | NAU | CAL | 120.6° | 118.2° |
| CAK | NAU | CAR | 117.1° | 120.9° |
| NAU | CAK | HAK | 109.6° | 109.6° |
| NAU | CAK | HAKA | 109.5° | 109.6° |
| CAL | NAU | CAR | 122.3° | 120.9° |
| NAU | CAL | HAL | 110.0° | 109.6° |
| NAU | CAL | HALA | 110.0° | 109.6° |
| CAO | NAM | CAR | 121.5° | 121.4° |
| NAM | CAR | NAN | 122.6° | 121.1° |
| NAM | CAR | NAU | 112.4° | 119.4° |
| CAR | NAN | CAS | 118.4° | 119.8° |
| NAN | CAR | NAU | 125.0° | 119.4° |
| CAR | NAN | HNAN | 120.8° | 120.1° |
| CAS | NAN | HNAN | 120.8° | 120.1° |
| HAA | CAA | HAAA | 109.4° | 109.5° |
| HAA | CAA | HAAB | 109.5° | 109.5° |
| HAAA | CAA | HAAB | 109.5° | 109.5° |
| HAI | CAI | HAIA | 109.4° | 109.5° |
| HAJ | CAJ | HAJA | 108.9° | 109.5° |
| HAK | CAK | HAKA | 109.4° | 109.8° |
| HAL | CAL | HALA | 108.9° | 109.8° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAA | CAO | CAH | NAM | 179.5° | 179.9° |
| CAA | CAO | CAH | CAS | 179.6° | 180.0° |
| CAA | CAO | NAM | CAR | 179.6° | 179.9° |
| CAO | CAA | HAA | HAAA | 120.0° | 120.0° |
| CAO | CAA | HAA | HAAB | 120.0° | 120.0° |
| CAO | CAA | HAAA | HAAB | 120.0° | 120.0° |
| CAA | CAO | CAH | HAH | 0.4° | 0.4° |
| OAB | CAS | CAH | CAO | 178.6° | 180.0° |
| OAB | CAS | CAH | NAN | 177.3° | 180.0° |
| OAB | CAS | NAN | CAR | 179.3° | 180.0° |
| OAB | CAS | CAH | HAH | 1.4° | 0.3° |
| OAB | CAS | NAN | HNAN | 0.6° | 0.0° |
| FAC | CAP | CAD | CAF | 179.1° | 180.0° |
| FAC | CAP | CAD | CAE | 178.0° | 179.9° |
| FAC | CAP | CAE | CAG | 179.4° | 180.0° |
| FAC | CAP | CAD | HAD | 0.9° | 0.3° |
| FAC | CAP | CAE | HAE | 0.6° | 0.1° |
| CAF | CAD | CAP | HAD | 180.0° | 179.7° |
| CAF | CAD | CAP | CAE | 1.1° | 0.1° |
| CAD | CAF | CAQ | HAF | 180.0° | 179.9° |
| CAD | CAF | CAQ | CAG | 0.9° | 0.0° |
| CAD | CAF | CAQ | NAT | 178.2° | 179.9° |
| CAD | CAP | CAE | CAG | 1.4° | 0.1° |
| CAP | CAD | CAF | CAQ | 0.1° | 0.0° |
| CAD | CAP | CAE | HAE | 178.6° | 180.0° |
| CAP | CAD | CAF | HAF | 179.9° | 180.0° |
| CAG | CAE | CAP | HAE | 180.0° | 179.9° |
| CAE | CAG | CAQ | CAF | 0.7° | 0.0° |
| CAE | CAG | CAQ | HAG | 180.0° | 180.0° |
| CAE | CAG | CAQ | NAT | 177.9° | 179.9° |
| CAP | CAE | CAG | CAQ | 0.4° | 0.0° |
| CAE | CAP | CAD | HAD | 178.9° | 179.7° |
| CAP | CAE | CAG | HAG | 179.5° | 180.0° |
| CAF | CAQ | CAG | NAT | 177.3° | 179.9° |
| CAF | CAQ | NAT | CAI | 91.4° | 180.0° |
| CAF | CAQ | NAT | CAJ | 87.8° | 55.7° |
| CAQ | CAF | CAD | HAD | 179.9° | 179.7° |
| CAF | CAQ | CAG | HAG | 179.4° | 180.0° |
| CAG | CAQ | NAT | CAI | 91.4° | 0.0° |
| CAG | CAQ | NAT | CAJ | 89.4° | 124.3° |
| CAQ | CAG | CAE | HAE | 179.6° | 180.0° |
| CAG | CAQ | CAF | HAF | 179.1° | 180.0° |
| CAO | CAH | CAS | HAH | 180.0° | 179.6° |
| CAH | CAO | NAM | CAR | 0.9° | 0.0° |
| CAO | CAH | CAS | NAN | 1.3° | 0.0° |
| CAH | CAO | CAA | HAA | 179.5° | 90.0° |
| CAH | CAO | CAA | HAAA | 60.5° | 150.0° |
| CAH | CAO | CAA | HAAB | 59.5° | 30.0° |
| CAS | CAH | CAO | NAM | 0.1° | 0.0° |
| CAH | CAS | NAN | CAR | 1.9° | 0.0° |
| CAH | CAS | NAN | HNAN | 178.1° | 180.0° |
| CAK | CAI | NAT | HAI | 120.0° | 120.0° |
| CAK | CAI | NAT | HAIA | 120.0° | 119.9° |
| CAK | CAI | NAT | CAJ | 21.2° | 63.1° |
| CAI | CAK | NAU | HAK | 120.0° | 119.7° |
| CAI | CAK | NAU | HAKA | 120.0° | 119.7° |
| CAI | CAK | NAU | CAL | 30.0° | 51.2° |
| CAK | CAI | NAT | CAQ | 157.9° | 172.7° |
| CAI | CAK | NAU | CAR | 149.5° | 128.9° |
| CAK | CAI | HAI | HAIA | 120.1° | 120.0° |
| CAI | CAK | HAK | HAKA | 120.1° | 120.5° |
| CAI | NAT | CAJ | CAL | 36.2° | 63.1° |
| CAI | NAT | CAJ | CAQ | 179.1° | 124.2° |
| NAT | CAI | CAK | NAU | 53.4° | 53.9° |
| NAT | CAI | HAI | HAIA | 120.0° | 120.1° |
| CAI | NAT | CAJ | HAJ | 156.2° | 176.9° |
| CAI | NAT | CAJ | HAJA | 83.8° | 56.9° |
| NAT | CAI | CAK | HAK | 173.4° | 65.8° |
| NAT | CAI | CAK | HAKA | 66.5° | 173.5° |
| CAL | CAJ | NAT | HAJ | 120.0° | 120.0° |
| CAL | CAJ | NAT | HAJA | 120.0° | 120.0° |
| CAJ | CAL | NAU | CAK | 27.0° | 51.2° |
| CAJ | CAL | NAU | HAL | 120.0° | 119.7° |
| CAJ | CAL | NAU | HALA | 120.0° | 119.7° |
| CAL | CAJ | NAT | CAQ | 144.7° | 172.7° |
| CAJ | CAL | NAU | CAR | 153.6° | 128.9° |
| CAL | CAJ | HAJ | HAJA | 120.7° | 120.0° |
| CAJ | CAL | HAL | HALA | 120.7° | 120.5° |
| NAT | CAJ | CAL | NAU | 58.6° | 53.8° |
| CAJ | NAT | CAI | HAI | 141.3° | 56.9° |
| CAJ | NAT | CAI | HAIA | 98.8° | 177.0° |
| NAT | CAJ | HAJ | HAJA | 120.7° | 120.1° |
| NAT | CAJ | CAL | HAL | 178.6° | 173.5° |
| NAT | CAJ | CAL | HALA | 61.4° | 65.9° |
| CAK | NAU | CAL | CAR | 179.4° | 179.9° |
| CAK | NAU | CAR | NAM | 17.8° | 174.4° |
| CAK | NAU | CAR | NAN | 161.1° | 5.5° |
| NAU | CAK | CAI | HAI | 173.4° | 66.1° |
| NAU | CAK | CAI | HAIA | 66.5° | 173.8° |
| NAU | CAK | HAK | HAKA | 120.1° | 120.5° |
| CAK | NAU | CAL | HAL | 147.0° | 170.9° |
| CAK | NAU | CAL | HALA | 93.0° | 68.5° |
| CAL | NAU | CAR | NAM | 161.6° | 5.7° |
| CAL | NAU | CAR | NAN | 19.4° | 174.5° |
| NAU | CAL | CAJ | HAJ | 178.6° | 173.8° |
| NAU | CAL | CAJ | HAJA | 61.4° | 66.2° |
| CAL | NAU | CAK | HAK | 150.0° | 68.5° |
| CAL | NAU | CAK | HAKA | 90.0° | 170.9° |
| NAU | CAL | HAL | HALA | 120.6° | 120.5° |
| CAO | NAM | CAR | NAN | 0.2° | 0.1° |
| CAO | NAM | CAR | NAU | 178.8° | 180.0° |
| NAM | CAO | CAA | HAA | 0.0° | 90.1° |
| NAM | CAO | CAA | HAAA | 120.0° | 30.0° |
| NAM | CAO | CAA | HAAB | 120.0° | 150.0° |
| NAM | CAO | CAH | HAH | 179.9° | 179.7° |
| NAM | CAR | NAN | NAU | 178.8° | 179.9° |
| NAM | CAR | NAN | CAS | 1.2° | 0.1° |
| NAM | CAR | NAN | HNAN | 178.8° | 180.0° |
| CAR | NAN | CAS | HNAN | 180.0° | 179.9° |
| CAS | NAN | CAR | NAU | 179.9° | 180.0° |
| NAN | CAS | CAH | HAH | 178.7° | 179.7° |
| NAT | CAQ | CAF | HAF | 1.8° | 0.0° |
| NAT | CAQ | CAG | HAG | 2.1° | 0.1° |
| CAQ | NAT | CAI | HAI | 37.8° | 67.3° |
| CAQ | NAT | CAI | HAIA | 82.1° | 52.8° |
| CAQ | NAT | CAJ | HAJ | 24.7° | 52.8° |
| CAQ | NAT | CAJ | HAJA | 95.3° | 67.3° |
| CAR | NAU | CAK | HAK | 29.5° | 111.4° |
| CAR | NAU | CAK | HAKA | 90.6° | 9.2° |
| CAR | NAU | CAL | HAL | 33.6° | 9.2° |
| CAR | NAU | CAL | HALA | 86.4° | 111.4° |
| NAU | CAR | NAN | HNAN | 0.1° | 0.1° |
| HAA | CAA | HAAA | HAAB | 120.0° | 120.0° |
| HAD | CAD | CAF | HAF | 0.1° | 0.3° |
| HAE | CAE | CAG | HAG | 0.5° | 0.0° |
| HAI | CAI | CAK | HAK | 66.6° | 174.2° |
| HAI | CAI | CAK | HAKA | 53.5° | 53.5° |
| HAIA | CAI | CAK | HAK | 53.5° | 54.1° |
| HAIA | CAI | CAK | HAKA | 173.5° | 66.6° |
| HAJ | CAJ | CAL | HAL | 61.4° | 66.5° |
| HAJ | CAJ | CAL | HALA | 58.6° | 54.1° |
| HAJA | CAJ | CAL | HAL | 58.6° | 53.5° |
| HAJA | CAJ | CAL | HALA | 178.6° | 174.1° |
