43L
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| NAM | NAL | sing | 1.29Å | 1.34Å | Aromatic |
| NAM | CAT | doub | 1.30Å | 1.37Å | Aromatic |
| NAL | NAN | doub | 1.29Å | 1.27Å | Aromatic |
| CAT | NAO | sing | 1.39Å | 1.36Å | |
| CAT | NAW | sing | 1.36Å | 1.41Å | Aromatic |
| NAN | NAW | sing | 1.40Å | 1.37Å | Aromatic |
| NAO | CAU | sing | 1.48Å | 1.46Å | |
| NAW | CAV | sing | 1.46Å | 1.46Å | |
| CAU | CAR | sing | 1.51Å | 1.41Å | |
| CAU | CAK | sing | 1.53Å | 1.51Å | |
| CAR | CAG | doub | 1.38Å | 1.41Å | Aromatic |
| CAR | CAI | sing | 1.38Å | 1.36Å | Aromatic |
| CAG | CAC | sing | 1.38Å | 1.38Å | Aromatic |
| CAI | CAP | doub | 1.38Å | 1.34Å | Aromatic |
| CAC | CAE | doub | 1.38Å | 1.39Å | Aromatic |
| CAV | CAK | sing | 1.53Å | 1.50Å | |
| CAV | CAS | sing | 1.51Å | 1.49Å | |
| CAP | CAE | sing | 1.38Å | 1.38Å | Aromatic |
| CAP | BRA | sing | 1.89Å | 1.89Å | |
| CAS | CAH | doub | 1.38Å | 1.40Å | Aromatic |
| CAS | CAJ | sing | 1.38Å | 1.37Å | Aromatic |
| CAH | CAD | sing | 1.38Å | 1.38Å | Aromatic |
| CAJ | CAQ | doub | 1.38Å | 1.36Å | Aromatic |
| CAD | CAF | doub | 1.38Å | 1.38Å | Aromatic |
| CAQ | CAF | sing | 1.38Å | 1.37Å | Aromatic |
| CAQ | BRB | sing | 1.89Å | 1.90Å | |
| CAJ | HAJ1 | sing | 1.08Å | 1.08Å | |
| CAF | HAF1 | sing | 1.08Å | 1.08Å | |
| CAD | HAD1 | sing | 1.08Å | 1.08Å | |
| CAH | HAH1 | sing | 1.08Å | 1.08Å | |
| CAV | HAV1 | sing | 1.09Å | 1.10Å | |
| CAK | HAK1 | sing | 1.09Å | 1.10Å | |
| CAK | HAK2 | sing | 1.09Å | 1.10Å | |
| NAO | HAO1 | sing | 0.97Å | 1.00Å | |
| CAU | HAU1 | sing | 1.09Å | 1.10Å | |
| CAI | HAI1 | sing | 1.08Å | 1.08Å | |
| CAE | HAE1 | sing | 1.08Å | 1.08Å | |
| CAC | HAC1 | sing | 1.08Å | 1.08Å | |
| CAG | HAG1 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| NAL | NAM | CAT | 103.9° | 110.2° |
| NAM | NAL | NAN | 116.2° | 110.4° |
| NAM | CAT | NAO | 128.8° | 130.4° |
| NAM | CAT | NAW | 107.1° | 107.4° |
| NAL | NAN | NAW | 105.6° | 106.5° |
| NAO | CAT | NAW | 124.1° | 122.2° |
| CAT | NAO | CAU | 117.5° | 116.2° |
| CAT | NAO | HAO1 | 107.4° | 121.9° |
| CAT | NAW | NAN | 107.2° | 105.5° |
| CAT | NAW | CAV | 120.3° | 124.5° |
| NAN | NAW | CAV | 132.6° | 130.1° |
| NAO | CAU | CAR | 114.7° | 109.6° |
| NAO | CAU | CAK | 104.2° | 108.7° |
| CAU | NAO | HAO1 | 107.4° | 121.9° |
| NAO | CAU | HAU1 | 106.8° | 109.6° |
| NAW | CAV | CAK | 109.4° | 108.8° |
| NAW | CAV | CAS | 113.7° | 109.6° |
| NAW | CAV | HAV1 | 107.2° | 109.7° |
| CAR | CAU | CAK | 116.8° | 109.7° |
| CAU | CAR | CAG | 125.4° | 120.0° |
| CAU | CAR | CAI | 119.7° | 120.0° |
| CAR | CAU | HAU1 | 107.4° | 109.6° |
| CAU | CAK | CAV | 117.1° | 109.8° |
| CAU | CAK | HAK1 | 107.5° | 109.4° |
| CAU | CAK | HAK2 | 107.5° | 109.4° |
| CAK | CAU | HAU1 | 106.3° | 109.7° |
| CAG | CAR | CAI | 114.8° | 120.0° |
| CAR | CAG | CAC | 123.3° | 120.0° |
| CAR | CAG | HAG1 | 118.4° | 120.0° |
| CAR | CAI | CAP | 121.8° | 120.0° |
| CAR | CAI | HAI1 | 119.1° | 120.0° |
| CAG | CAC | CAE | 120.1° | 120.0° |
| CAG | CAC | HAC1 | 119.9° | 120.0° |
| CAC | CAG | HAG1 | 118.3° | 120.0° |
| CAI | CAP | CAE | 125.4° | 120.0° |
| CAI | CAP | BRA | 122.6° | 120.0° |
| CAP | CAI | HAI1 | 119.1° | 120.0° |
| CAC | CAE | CAP | 114.5° | 120.0° |
| CAC | CAE | HAE1 | 122.8° | 119.9° |
| CAE | CAC | HAC1 | 120.0° | 120.0° |
| CAK | CAV | CAS | 112.7° | 109.6° |
| CAK | CAV | HAV1 | 106.7° | 109.6° |
| CAV | CAK | HAK1 | 107.6° | 109.4° |
| CAV | CAK | HAK2 | 107.5° | 109.4° |
| CAV | CAS | CAH | 123.3° | 120.0° |
| CAV | CAS | CAJ | 119.5° | 120.0° |
| CAS | CAV | HAV1 | 106.8° | 109.6° |
| CAE | CAP | BRA | 112.0° | 120.0° |
| CAP | CAE | HAE1 | 122.7° | 120.1° |
| CAH | CAS | CAJ | 117.2° | 120.0° |
| CAS | CAH | CAD | 121.2° | 120.0° |
| CAS | CAH | HAH1 | 119.4° | 119.9° |
| CAS | CAJ | CAQ | 120.9° | 120.0° |
| CAS | CAJ | HAJ1 | 119.5° | 120.0° |
| CAH | CAD | CAF | 120.9° | 120.0° |
| CAH | CAD | HAD1 | 119.5° | 119.9° |
| CAD | CAH | HAH1 | 119.4° | 120.0° |
| CAJ | CAQ | CAF | 123.2° | 119.9° |
| CAJ | CAQ | BRB | 118.2° | 120.1° |
| CAQ | CAJ | HAJ1 | 119.6° | 120.0° |
| CAD | CAF | CAQ | 116.6° | 120.0° |
| CAD | CAF | HAF1 | 121.7° | 120.0° |
| CAF | CAD | HAD1 | 119.6° | 120.0° |
| CAF | CAQ | BRB | 118.6° | 120.0° |
| CAQ | CAF | HAF1 | 121.7° | 120.0° |
| HAK1 | CAK | HAK2 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| NAL | NAM | CAT | NAO | 178.7° | 179.8° |
| NAL | NAM | CAT | NAW | 0.2° | 0.2° |
| NAM | NAL | NAN | NAW | 0.1° | 0.0° |
| CAT | NAM | NAL | NAN | 0.2° | 0.1° |
| NAM | CAT | NAO | NAW | 178.2° | 180.0° |
| NAM | CAT | NAW | NAN | 0.2° | 0.1° |
| NAM | CAT | NAO | CAU | 158.9° | 167.1° |
| NAM | CAT | NAW | CAV | 179.0° | 179.8° |
| NAM | CAT | NAO | HAO1 | 79.9° | 12.9° |
| NAL | NAN | NAW | CAT | 0.0° | 0.1° |
| NAL | NAN | NAW | CAV | 179.0° | 179.8° |
| NAO | CAT | NAW | NAN | 178.7° | 179.9° |
| CAT | NAO | CAU | HAO1 | 121.1° | 180.0° |
| NAO | CAT | NAW | CAV | 0.5° | 0.2° |
| CAT | NAO | CAU | CAR | 174.8° | 163.4° |
| CAT | NAO | CAU | CAK | 45.9° | 43.5° |
| CAT | NAO | CAU | HAU1 | 66.3° | 76.4° |
| CAT | NAW | NAN | CAV | 179.0° | 179.9° |
| NAW | CAT | NAO | CAU | 19.3° | 12.9° |
| CAT | NAW | CAV | CAK | 11.4° | 18.8° |
| CAT | NAW | CAV | CAS | 138.3° | 138.6° |
| CAT | NAW | CAV | HAV1 | 103.9° | 101.1° |
| NAW | CAT | NAO | HAO1 | 101.8° | 167.1° |
| NAN | NAW | CAV | CAK | 169.7° | 161.1° |
| NAN | NAW | CAV | CAS | 42.8° | 41.3° |
| NAN | NAW | CAV | HAV1 | 75.0° | 79.0° |
| NAO | CAU | CAR | CAK | 122.4° | 119.2° |
| NAO | CAU | CAR | HAU1 | 118.5° | 120.3° |
| NAO | CAU | CAK | HAU1 | 112.6° | 119.8° |
| NAO | CAU | CAR | CAG | 142.4° | 140.0° |
| NAO | CAU | CAR | CAI | 41.0° | 39.8° |
| NAO | CAU | CAK | CAV | 60.9° | 62.4° |
| NAO | CAU | CAK | HAK1 | 60.2° | 177.5° |
| NAO | CAU | CAK | HAK2 | 178.1° | 57.7° |
| NAW | CAV | CAK | CAU | 44.2° | 49.0° |
| NAW | CAV | CAK | CAS | 127.5° | 119.8° |
| NAW | CAV | CAK | HAV1 | 115.6° | 119.9° |
| NAW | CAV | CAS | HAV1 | 118.0° | 120.4° |
| NAW | CAV | CAS | CAH | 52.9° | 120.7° |
| NAW | CAV | CAS | CAJ | 128.4° | 58.7° |
| NAW | CAV | CAK | HAK1 | 76.8° | 169.1° |
| NAW | CAV | CAK | HAK2 | 165.3° | 71.0° |
| CAR | CAU | CAK | HAU1 | 119.7° | 120.4° |
| CAU | CAR | CAG | CAI | 176.8° | 179.8° |
| CAU | CAR | CAG | CAC | 179.5° | 179.7° |
| CAU | CAR | CAI | CAP | 178.8° | 180.0° |
| CAR | CAU | CAK | CAV | 171.4° | 177.8° |
| CAR | CAU | CAK | HAK1 | 67.5° | 57.7° |
| CAR | CAU | CAK | HAK2 | 50.4° | 62.1° |
| CAR | CAU | NAO | HAO1 | 53.7° | 16.6° |
| CAU | CAR | CAI | HAI1 | 1.2° | 0.0° |
| CAU | CAR | CAG | HAG1 | 0.5° | 0.0° |
| CAK | CAU | CAR | CAG | 95.3° | 100.8° |
| CAK | CAU | CAR | CAI | 81.4° | 79.5° |
| CAU | CAK | CAV | HAK1 | 121.1° | 120.1° |
| CAU | CAK | CAV | HAK2 | 121.1° | 120.0° |
| CAU | CAK | CAV | CAS | 171.7° | 168.8° |
| CAU | CAK | CAV | HAV1 | 71.4° | 71.0° |
| CAU | CAK | HAK1 | HAK2 | 116.6° | 119.8° |
| CAK | CAU | NAO | HAO1 | 75.2° | 136.4° |
| CAR | CAG | CAC | HAG1 | 180.0° | 179.7° |
| CAG | CAR | CAI | CAP | 1.7° | 0.3° |
| CAR | CAG | CAC | CAE | 2.0° | 0.6° |
| CAG | CAR | CAU | HAU1 | 23.9° | 19.7° |
| CAG | CAR | CAI | HAI1 | 178.2° | 179.8° |
| CAR | CAG | CAC | HAC1 | 177.9° | 179.8° |
| CAI | CAR | CAG | CAC | 2.7° | 0.5° |
| CAR | CAI | CAP | HAI1 | 180.0° | 179.9° |
| CAR | CAI | CAP | CAE | 0.2° | 0.0° |
| CAR | CAI | CAP | BRA | 178.7° | 180.0° |
| CAI | CAR | CAU | HAU1 | 159.5° | 160.1° |
| CAI | CAR | CAG | HAG1 | 177.3° | 179.8° |
| CAG | CAC | CAE | HAC1 | 180.0° | 179.7° |
| CAG | CAC | CAE | CAP | 0.3° | 0.3° |
| CAG | CAC | CAE | HAE1 | 179.7° | 179.7° |
| CAI | CAP | CAE | CAC | 0.6° | 0.0° |
| CAI | CAP | CAE | BRA | 179.0° | 180.0° |
| CAI | CAP | CAE | HAE1 | 179.4° | 180.0° |
| CAC | CAE | CAP | HAE1 | 180.0° | 180.0° |
| CAC | CAE | CAP | BRA | 179.6° | 180.0° |
| CAE | CAC | CAG | HAG1 | 178.0° | 179.7° |
| CAK | CAV | CAS | HAV1 | 116.8° | 120.3° |
| CAK | CAV | CAS | CAH | 72.3° | 120.0° |
| CAK | CAV | CAS | CAJ | 106.4° | 60.5° |
| CAV | CAK | HAK1 | HAK2 | 116.6° | 119.9° |
| CAV | CAK | CAU | HAU1 | 51.7° | 57.4° |
| CAV | CAS | CAH | CAJ | 178.8° | 179.5° |
| CAV | CAS | CAH | CAD | 179.1° | 180.0° |
| CAV | CAS | CAJ | CAQ | 179.3° | 180.0° |
| CAV | CAS | CAJ | HAJ1 | 0.6° | 0.3° |
| CAV | CAS | CAH | HAH1 | 1.0° | 0.3° |
| CAS | CAV | CAK | HAK1 | 50.7° | 71.1° |
| CAS | CAV | CAK | HAK2 | 67.2° | 48.7° |
| CAE | CAP | CAI | HAI1 | 179.8° | 179.9° |
| CAP | CAE | CAC | HAC1 | 179.6° | 180.0° |
| BRA | CAP | CAI | HAI1 | 1.3° | 0.1° |
| BRA | CAP | CAE | HAE1 | 0.4° | 0.0° |
| CAS | CAH | CAD | HAH1 | 180.0° | 179.7° |
| CAH | CAS | CAJ | CAQ | 0.5° | 0.5° |
| CAS | CAH | CAD | CAF | 0.2° | 0.3° |
| CAH | CAS | CAJ | HAJ1 | 179.4° | 179.8° |
| CAS | CAH | CAD | HAD1 | 179.8° | 179.7° |
| CAH | CAS | CAV | HAV1 | 170.9° | 0.3° |
| CAJ | CAS | CAH | CAD | 0.3° | 0.6° |
| CAS | CAJ | CAQ | HAJ1 | 180.0° | 179.7° |
| CAS | CAJ | CAQ | CAF | 0.3° | 0.3° |
| CAS | CAJ | CAQ | BRB | 179.5° | 179.7° |
| CAJ | CAS | CAH | HAH1 | 179.7° | 179.7° |
| CAJ | CAS | CAV | HAV1 | 10.4° | 179.2° |
| CAH | CAD | CAF | HAD1 | 180.0° | 180.0° |
| CAH | CAD | CAF | CAQ | 0.4° | 0.0° |
| CAH | CAD | CAF | HAF1 | 179.6° | 180.0° |
| CAJ | CAQ | CAF | CAD | 0.2° | 0.0° |
| CAJ | CAQ | CAF | BRB | 179.8° | 180.0° |
| CAJ | CAQ | CAF | HAF1 | 179.8° | 180.0° |
| CAD | CAF | CAQ | HAF1 | 180.0° | 180.0° |
| CAD | CAF | CAQ | BRB | 180.0° | 180.0° |
| CAF | CAD | CAH | HAH1 | 179.8° | 180.0° |
| CAF | CAQ | CAJ | HAJ1 | 179.7° | 180.0° |
| CAQ | CAF | CAD | HAD1 | 179.6° | 180.0° |
| BRB | CAQ | CAJ | HAJ1 | 0.6° | 0.0° |
| BRB | CAQ | CAF | HAF1 | 0.1° | 0.0° |
| HAF1 | CAF | CAD | HAD1 | 0.4° | 0.0° |
| HAD1 | CAD | CAH | HAH1 | 0.2° | 0.0° |
| HAV1 | CAV | CAK | HAK1 | 167.5° | 49.1° |
| HAV1 | CAV | CAK | HAK2 | 49.7° | 169.0° |
| HAK1 | CAK | CAU | HAU1 | 172.8° | 62.7° |
| HAK2 | CAK | CAU | HAU1 | 69.4° | 177.5° |
| HAO1 | NAO | CAU | HAU1 | 172.6° | 103.7° |
| HAE1 | CAE | CAC | HAC1 | 0.3° | 0.1° |
| HAC1 | CAC | CAG | HAG1 | 2.0° | 0.1° |
