NNL
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAA | CAP | sing | 1.51Å | 1.59Å | |
| CL | CAO | sing | 1.74Å | 1.75Å | |
| CAC | CAE | doub | 1.38Å | 1.41Å | Aromatic |
| CAC | CAO | sing | 1.38Å | 1.41Å | Aromatic |
| CAD | CAF | sing | 1.38Å | 1.41Å | Aromatic |
| CAD | CAO | doub | 1.38Å | 1.41Å | Aromatic |
| CAE | CAQ | sing | 1.38Å | 1.42Å | Aromatic |
| CAF | CAQ | doub | 1.38Å | 1.42Å | Aromatic |
| CAG | NAK | doub | 1.31Å | 1.33Å | Aromatic |
| CAG | NAT | sing | 1.35Å | 1.33Å | Aromatic |
| CAH | CAP | sing | 1.40Å | 1.42Å | Aromatic |
| CAH | CAR | doub | 1.38Å | 1.43Å | Aromatic |
| CAI | CAJ | sing | 1.53Å | 1.54Å | |
| CAI | NAN | sing | 1.46Å | 1.48Å | |
| CAJ | CAQ | sing | 1.51Å | 1.55Å | |
| NAK | NAL | sing | 1.29Å | 1.22Å | Aromatic |
| NAL | CAS | doub | 1.32Å | 1.32Å | Aromatic |
| NAM | CAP | doub | 1.31Å | 1.39Å | Aromatic |
| NAM | NAT | sing | 1.40Å | 1.25Å | Aromatic |
| NAN | CAR | sing | 1.39Å | 1.33Å | |
| CAR | CAS | sing | 1.41Å | 1.40Å | Aromatic |
| CAS | NAT | sing | 1.37Å | 1.40Å | Aromatic |
| CAA | HAA | sing | 1.09Å | 1.10Å | |
| CAA | HAAA | sing | 1.09Å | 1.10Å | |
| CAA | HAAB | sing | 1.09Å | 1.10Å | |
| CAC | HAC | sing | 1.08Å | 1.08Å | |
| 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 | |
| NAN | HNAN | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAA | CAP | CAH | 121.8° | 119.4° |
| CAA | CAP | NAM | 119.5° | 119.4° |
| CAP | CAA | HAA | 109.5° | 109.5° |
| CAP | CAA | HAAA | 109.5° | 109.5° |
| CAP | CAA | HAAB | 109.4° | 109.4° |
| CL | CAO | CAC | 120.3° | 120.0° |
| CL | CAO | CAD | 119.4° | 120.0° |
| CAE | CAC | CAO | 119.7° | 120.0° |
| CAC | CAE | CAQ | 120.6° | 120.0° |
| CAE | CAC | HAC | 120.1° | 120.0° |
| CAC | CAE | HAE | 119.7° | 120.0° |
| CAC | CAO | CAD | 120.3° | 120.0° |
| CAO | CAC | HAC | 120.1° | 120.0° |
| CAF | CAD | CAO | 119.8° | 120.0° |
| CAD | CAF | CAQ | 120.2° | 120.0° |
| CAF | CAD | HAD | 120.1° | 120.0° |
| CAD | CAF | HAF | 119.9° | 120.0° |
| CAO | CAD | HAD | 120.1° | 120.0° |
| CAE | CAQ | CAF | 119.4° | 120.0° |
| CAE | CAQ | CAJ | 120.5° | 120.0° |
| CAQ | CAE | HAE | 119.7° | 120.0° |
| CAF | CAQ | CAJ | 120.1° | 120.0° |
| CAQ | CAF | HAF | 119.9° | 120.0° |
| NAK | CAG | NAT | 108.3° | 107.7° |
| CAG | NAK | NAL | 111.1° | 110.2° |
| NAK | CAG | HAG | 125.8° | 126.2° |
| CAG | NAT | NAM | 135.2° | 133.9° |
| CAG | NAT | CAS | 103.3° | 106.0° |
| NAT | CAG | HAG | 125.9° | 126.1° |
| CAP | CAH | CAR | 117.1° | 119.9° |
| CAH | CAP | NAM | 118.7° | 121.1° |
| CAP | CAH | HAH | 121.5° | 120.0° |
| CAH | CAR | NAN | 126.4° | 120.6° |
| CAH | CAR | CAS | 119.2° | 118.8° |
| CAR | CAH | HAH | 121.4° | 120.0° |
| CAJ | CAI | NAN | 107.7° | 109.5° |
| CAI | CAJ | CAQ | 109.0° | 109.5° |
| CAJ | CAI | HAI | 109.9° | 109.4° |
| CAJ | CAI | HAIA | 109.9° | 109.4° |
| CAI | CAJ | HAJ | 109.6° | 109.5° |
| CAI | CAJ | HAJA | 109.6° | 109.5° |
| CAI | NAN | CAR | 124.6° | 120.0° |
| NAN | CAI | HAI | 109.9° | 109.5° |
| NAN | CAI | HAIA | 109.9° | 109.5° |
| CAI | NAN | HNAN | 105.6° | 120.0° |
| CAQ | CAJ | HAJ | 109.6° | 109.4° |
| CAQ | CAJ | HAJA | 109.6° | 109.5° |
| NAK | NAL | CAS | 109.3° | 109.2° |
| NAL | CAS | CAR | 132.7° | 133.9° |
| NAL | CAS | NAT | 107.9° | 106.9° |
| CAP | NAM | NAT | 124.1° | 120.9° |
| NAM | NAT | CAS | 121.5° | 120.1° |
| NAN | CAR | CAS | 114.4° | 120.6° |
| CAR | NAN | HNAN | 105.5° | 120.0° |
| CAR | CAS | NAT | 119.4° | 119.2° |
| HAA | CAA | HAAA | 109.5° | 109.4° |
| HAA | CAA | HAAB | 109.5° | 109.5° |
| HAAA | CAA | HAAB | 109.5° | 109.5° |
| HAI | CAI | HAIA | 109.5° | 109.5° |
| HAJ | CAJ | HAJA | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAA | CAP | CAH | NAM | 179.7° | 180.0° |
| CAA | CAP | CAH | CAR | 179.7° | 180.0° |
| CAA | CAP | NAM | NAT | 179.5° | 180.0° |
| CAP | CAA | HAA | HAAA | 120.0° | 120.0° |
| CAP | CAA | HAA | HAAB | 120.0° | 120.0° |
| CAP | CAA | HAAA | HAAB | 119.9° | 120.0° |
| CAA | CAP | CAH | HAH | 0.3° | 0.0° |
| CL | CAO | CAC | CAE | 179.1° | 180.0° |
| CL | CAO | CAC | CAD | 179.1° | 180.0° |
| CL | CAO | CAD | CAF | 178.3° | 180.0° |
| CL | CAO | CAC | HAC | 1.0° | 0.3° |
| CL | CAO | CAD | HAD | 1.7° | 0.1° |
| CAE | CAC | CAO | HAC | 180.0° | 179.7° |
| CAE | CAC | CAO | CAD | 0.0° | 0.0° |
| CAC | CAE | CAQ | HAE | 180.0° | 180.0° |
| CAC | CAE | CAQ | CAF | 0.3° | 0.0° |
| CAC | CAE | CAQ | CAJ | 179.7° | 180.0° |
| CAC | CAO | CAD | CAF | 0.8° | 0.0° |
| CAO | CAC | CAE | CAQ | 0.2° | 0.0° |
| CAC | CAO | CAD | HAD | 179.2° | 180.0° |
| CAO | CAC | CAE | HAE | 179.8° | 180.0° |
| CAF | CAD | CAO | HAD | 180.0° | 179.9° |
| CAD | CAF | CAQ | CAE | 1.1° | 0.0° |
| CAD | CAF | CAQ | HAF | 180.0° | 180.0° |
| CAD | CAF | CAQ | CAJ | 179.6° | 180.0° |
| CAO | CAD | CAF | CAQ | 1.3° | 0.1° |
| CAD | CAO | CAC | HAC | 180.0° | 179.7° |
| CAO | CAD | CAF | HAF | 178.7° | 180.0° |
| CAE | CAQ | CAF | CAJ | 179.4° | 180.0° |
| CAE | CAQ | CAJ | CAI | 59.6° | 90.0° |
| CAQ | CAE | CAC | HAC | 179.8° | 179.7° |
| CAE | CAQ | CAF | HAF | 178.9° | 180.0° |
| CAE | CAQ | CAJ | HAJ | 60.3° | 30.0° |
| CAE | CAQ | CAJ | HAJA | 179.6° | 149.9° |
| CAF | CAQ | CAJ | CAI | 119.7° | 90.0° |
| CAQ | CAF | CAD | HAD | 178.7° | 180.0° |
| CAF | CAQ | CAE | HAE | 179.7° | 180.0° |
| CAF | CAQ | CAJ | HAJ | 120.4° | 149.9° |
| CAF | CAQ | CAJ | HAJA | 0.2° | 30.0° |
| NAK | CAG | NAT | HAG | 180.0° | 179.7° |
| CAG | NAK | NAL | CAS | 0.2° | 0.1° |
| NAK | CAG | NAT | NAM | 179.9° | 180.0° |
| NAK | CAG | NAT | CAS | 0.2° | 0.0° |
| NAT | CAG | NAK | NAL | 0.0° | 0.0° |
| CAG | NAT | CAS | NAL | 0.3° | 0.0° |
| CAG | NAT | NAM | CAP | 179.9° | 180.0° |
| CAG | NAT | NAM | CAS | 179.7° | 180.0° |
| CAG | NAT | CAS | CAR | 179.5° | 180.0° |
| CAP | CAH | CAR | HAH | 180.0° | 180.0° |
| CAH | CAP | NAM | NAT | 0.2° | 0.0° |
| CAP | CAH | CAR | NAN | 179.1° | 179.9° |
| CAP | CAH | CAR | CAS | 0.5° | 0.0° |
| CAH | CAP | CAA | HAA | 179.7° | 90.0° |
| CAH | CAP | CAA | HAAA | 60.3° | 150.1° |
| CAH | CAP | CAA | HAAB | 59.7° | 30.1° |
| CAH | CAR | NAN | CAI | 2.8° | 0.0° |
| CAH | CAR | CAS | NAL | 179.8° | 180.0° |
| CAR | CAH | CAP | NAM | 0.0° | 0.0° |
| CAH | CAR | NAN | CAS | 179.6° | 179.9° |
| CAH | CAR | CAS | NAT | 0.9° | 0.0° |
| CAH | CAR | NAN | HNAN | 124.9° | 180.0° |
| CAJ | CAI | NAN | HAI | 119.7° | 120.0° |
| CAJ | CAI | NAN | HAIA | 119.7° | 120.0° |
| CAI | CAJ | CAQ | HAJ | 119.9° | 120.0° |
| CAI | CAJ | CAQ | HAJA | 120.0° | 120.1° |
| CAJ | CAI | NAN | CAR | 158.1° | 180.0° |
| CAJ | CAI | HAI | HAIA | 120.8° | 120.0° |
| CAI | CAJ | HAJ | HAJA | 120.2° | 120.1° |
| CAJ | CAI | NAN | HNAN | 36.1° | 0.0° |
| NAN | CAI | CAJ | CAQ | 171.5° | 180.0° |
| CAI | NAN | CAR | HNAN | 122.1° | 180.0° |
| CAI | NAN | CAR | CAS | 177.6° | 180.0° |
| NAN | CAI | HAI | HAIA | 120.8° | 120.0° |
| NAN | CAI | CAJ | HAJ | 68.6° | 60.0° |
| NAN | CAI | CAJ | HAJA | 51.6° | 60.0° |
| CAJ | CAQ | CAE | HAE | 0.3° | 0.0° |
| CAJ | CAQ | CAF | HAF | 0.4° | 0.0° |
| CAQ | CAJ | CAI | HAI | 68.8° | 60.0° |
| CAQ | CAJ | CAI | HAIA | 51.8° | 60.0° |
| CAQ | CAJ | HAJ | HAJA | 120.2° | 119.9° |
| NAK | NAL | CAS | CAR | 179.3° | 179.9° |
| NAK | NAL | CAS | NAT | 0.3° | 0.1° |
| NAL | NAK | CAG | HAG | 180.0° | 179.8° |
| NAL | CAS | NAT | NAM | 179.9° | 180.0° |
| NAL | CAS | CAR | NAN | 0.2° | 0.1° |
| NAL | CAS | CAR | NAT | 178.9° | 180.0° |
| CAP | NAM | NAT | CAS | 0.2° | 0.0° |
| NAM | CAP | CAA | HAA | 0.0° | 90.0° |
| NAM | CAP | CAA | HAAA | 120.0° | 30.0° |
| NAM | CAP | CAA | HAAB | 120.0° | 150.0° |
| NAM | CAP | CAH | HAH | 180.0° | 180.0° |
| NAM | NAT | CAS | CAR | 0.8° | 0.0° |
| NAM | NAT | CAG | HAG | 0.1° | 0.3° |
| NAN | CAR | CAS | NAT | 178.7° | 180.0° |
| NAN | CAR | CAH | HAH | 0.9° | 0.0° |
| CAR | NAN | CAI | HAI | 82.2° | 60.1° |
| CAR | NAN | CAI | HAIA | 38.4° | 60.0° |
| CAS | CAR | CAH | HAH | 179.5° | 180.0° |
| CAS | CAR | NAN | HNAN | 55.5° | 0.1° |
| CAS | NAT | CAG | HAG | 179.8° | 179.7° |
| HAA | CAA | HAAA | HAAB | 120.0° | 120.1° |
| HAC | CAC | CAE | HAE | 0.2° | 0.3° |
| HAD | CAD | CAF | HAF | 1.3° | 0.0° |
| HAI | CAI | CAJ | HAJ | 51.1° | 60.0° |
| HAI | CAI | CAJ | HAJA | 171.3° | 180.0° |
| HAI | CAI | NAN | HNAN | 155.8° | 120.0° |
| HAIA | CAI | CAJ | HAJ | 171.7° | 180.0° |
| HAIA | CAI | CAJ | HAJA | 68.2° | 60.0° |
| HAIA | CAI | NAN | HNAN | 83.7° | 120.0° |






