N8A
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAQ | CAP | sing | 1.53Å | 1.56Å | |
| CAQ | CAR | sing | 1.51Å | 1.55Å | |
| CAP | NAN | sing | 1.46Å | 1.44Å | |
| OAO | CAM | doub | 1.22Å | 1.19Å | |
| CAR | NAW | doub | 1.32Å | 1.32Å | Aromatic |
| CAR | CAS | sing | 1.38Å | 1.39Å | Aromatic |
| NAW | CAV | sing | 1.32Å | 1.33Å | Aromatic |
| NAN | CAM | sing | 1.35Å | 1.44Å | |
| CAM | NAL | sing | 1.35Å | 1.43Å | |
| CAS | CAT | doub | 1.39Å | 1.39Å | Aromatic |
| CAV | CAU | doub | 1.38Å | 1.39Å | Aromatic |
| OAK | CAB | sing | 1.36Å | 1.40Å | |
| CAT | CAU | sing | 1.39Å | 1.39Å | Aromatic |
| NAL | CAC | sing | 1.40Å | 1.44Å | |
| CAB | CAC | doub | 1.39Å | 1.39Å | Aromatic |
| CAB | CAA | sing | 1.39Å | 1.38Å | Aromatic |
| CAC | CAD | sing | 1.39Å | 1.36Å | Aromatic |
| CAA | CAF | doub | 1.38Å | 1.37Å | Aromatic |
| CAD | CAE | doub | 1.38Å | 1.36Å | Aromatic |
| CAF | CAE | sing | 1.38Å | 1.38Å | Aromatic |
| NAJ | SAG | sing | 1.66Å | 1.68Å | |
| CAE | SAG | sing | 1.76Å | 1.79Å | |
| OAH | SAG | doub | 1.42Å | 1.61Å | |
| SAG | OAI | doub | 1.42Å | 1.60Å | |
| CAS | H1 | sing | 1.08Å | 1.08Å | |
| CAT | H2 | sing | 1.08Å | 1.08Å | |
| CAU | H3 | sing | 1.08Å | 1.08Å | |
| CAV | H4 | sing | 1.08Å | 1.08Å | |
| CAQ | H5 | sing | 1.09Å | 1.10Å | |
| CAQ | H6 | sing | 1.09Å | 1.10Å | |
| CAP | H7 | sing | 1.09Å | 1.10Å | |
| CAP | H8 | sing | 1.09Å | 1.10Å | |
| NAN | H9 | sing | 0.97Å | 1.00Å | |
| NAL | H10 | sing | 0.97Å | 1.00Å | |
| CAD | H11 | sing | 1.08Å | 1.08Å | |
| OAK | H12 | sing | 0.97Å | 0.95Å | |
| CAA | H13 | sing | 1.08Å | 1.08Å | |
| CAF | H14 | sing | 1.08Å | 1.08Å | |
| NAJ | H15 | sing | 0.97Å | 1.00Å | |
| NAJ | H16 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAP | CAQ | CAR | 119.1° | 109.5° |
| CAQ | CAP | NAN | 106.7° | 109.5° |
| CAP | CAQ | H5 | 107.0° | 109.5° |
| CAP | CAQ | H6 | 107.0° | 109.5° |
| CAQ | CAP | H7 | 110.2° | 109.4° |
| CAQ | CAP | H8 | 110.2° | 109.5° |
| CAQ | CAR | NAW | 120.0° | 119.6° |
| CAQ | CAR | CAS | 121.3° | 119.6° |
| CAR | CAQ | H5 | 107.0° | 109.5° |
| CAR | CAQ | H6 | 107.0° | 109.5° |
| CAP | NAN | CAM | 119.2° | 120.0° |
| NAN | CAP | H7 | 110.2° | 109.5° |
| NAN | CAP | H8 | 110.1° | 109.5° |
| CAP | NAN | H9 | 120.4° | 119.9° |
| OAO | CAM | NAN | 121.8° | 120.0° |
| OAO | CAM | NAL | 121.8° | 120.0° |
| NAW | CAR | CAS | 118.7° | 120.7° |
| CAR | NAW | CAV | 121.1° | 121.7° |
| CAR | CAS | CAT | 122.1° | 119.1° |
| CAR | CAS | H1 | 118.9° | 120.4° |
| NAW | CAV | CAU | 122.6° | 120.8° |
| NAW | CAV | H4 | 118.7° | 119.6° |
| NAN | CAM | NAL | 116.4° | 120.0° |
| CAM | NAN | H9 | 120.4° | 120.0° |
| CAM | NAL | CAC | 118.0° | 120.0° |
| CAM | NAL | H10 | 121.0° | 120.0° |
| CAS | CAT | CAU | 117.2° | 118.4° |
| CAT | CAS | H1 | 118.9° | 120.5° |
| CAS | CAT | H2 | 121.4° | 120.7° |
| CAV | CAU | CAT | 118.3° | 119.2° |
| CAV | CAU | H3 | 120.8° | 120.4° |
| CAU | CAV | H4 | 118.7° | 119.6° |
| OAK | CAB | CAC | 121.6° | 120.1° |
| OAK | CAB | CAA | 117.7° | 120.1° |
| CAB | OAK | H12 | 109.5° | 114.0° |
| CAU | CAT | H2 | 121.4° | 120.8° |
| CAT | CAU | H3 | 120.8° | 120.4° |
| NAL | CAC | CAB | 120.9° | 120.1° |
| NAL | CAC | CAD | 118.9° | 120.1° |
| CAC | NAL | H10 | 121.0° | 119.9° |
| CAC | CAB | CAA | 120.7° | 119.8° |
| CAB | CAC | CAD | 120.2° | 119.8° |
| CAB | CAA | CAF | 118.6° | 120.1° |
| CAB | CAA | H13 | 120.7° | 120.0° |
| CAC | CAD | CAE | 118.8° | 120.0° |
| CAC | CAD | H11 | 120.6° | 120.1° |
| CAA | CAF | CAE | 119.6° | 120.2° |
| CAF | CAA | H13 | 120.7° | 119.9° |
| CAA | CAF | H14 | 120.2° | 120.0° |
| CAD | CAE | CAF | 121.9° | 120.1° |
| CAD | CAE | SAG | 119.9° | 119.9° |
| CAE | CAD | H11 | 120.6° | 120.0° |
| CAF | CAE | SAG | 118.2° | 119.9° |
| CAE | CAF | H14 | 120.2° | 119.9° |
| NAJ | SAG | CAE | 108.9° | 107.2° |
| NAJ | SAG | OAH | 107.8° | 106.4° |
| NAJ | SAG | OAI | 113.1° | 106.4° |
| SAG | NAJ | H15 | 109.5° | 120.0° |
| SAG | NAJ | H16 | 109.5° | 120.0° |
| CAE | SAG | OAH | 106.0° | 106.4° |
| CAE | SAG | OAI | 108.0° | 106.4° |
| OAH | SAG | OAI | 112.7° | 123.1° |
| H5 | CAQ | H6 | 109.5° | 109.4° |
| H7 | CAP | H8 | 109.5° | 109.4° |
| H15 | NAJ | H16 | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAP | CAQ | CAR | H5 | 121.4° | 120.0° |
| CAP | CAQ | CAR | H6 | 121.4° | 120.1° |
| CAQ | CAP | NAN | H7 | 119.6° | 120.0° |
| CAQ | CAP | NAN | H8 | 119.6° | 120.1° |
| CAP | CAQ | CAR | NAW | 100.3° | 55.0° |
| CAP | CAQ | CAR | CAS | 81.3° | 124.5° |
| CAQ | CAP | NAN | CAM | 68.8° | 180.0° |
| CAP | CAQ | H5 | H6 | 115.7° | 120.0° |
| CAQ | CAP | H7 | H8 | 121.3° | 119.9° |
| CAQ | CAP | NAN | H9 | 111.2° | 0.1° |
| CAR | CAQ | CAP | NAN | 33.3° | 180.0° |
| CAQ | CAR | NAW | CAS | 178.4° | 179.5° |
| CAQ | CAR | NAW | CAV | 179.6° | 180.0° |
| CAQ | CAR | CAS | CAT | 179.8° | 180.0° |
| CAQ | CAR | CAS | H1 | 0.2° | 0.3° |
| CAR | CAQ | H5 | H6 | 115.6° | 120.0° |
| CAR | CAQ | CAP | H7 | 152.9° | 60.0° |
| CAR | CAQ | CAP | H8 | 86.2° | 59.9° |
| CAP | NAN | CAM | OAO | 3.1° | 0.0° |
| CAP | NAN | CAM | H9 | 180.0° | 179.9° |
| CAP | NAN | CAM | NAL | 176.5° | 180.0° |
| NAN | CAP | CAQ | H5 | 154.7° | 60.0° |
| NAN | CAP | CAQ | H6 | 88.0° | 59.9° |
| NAN | CAP | H7 | H8 | 121.3° | 120.0° |
| OAO | CAM | NAN | NAL | 179.7° | 180.0° |
| OAO | CAM | NAL | CAC | 0.9° | 4.5° |
| OAO | CAM | NAN | H9 | 176.8° | 179.9° |
| OAO | CAM | NAL | H10 | 179.1° | 175.5° |
| NAW | CAR | CAS | CAT | 1.8° | 0.5° |
| CAR | NAW | CAV | CAU | 0.4° | 0.3° |
| NAW | CAR | CAS | H1 | 178.2° | 179.7° |
| CAR | NAW | CAV | H4 | 179.6° | 179.7° |
| NAW | CAR | CAQ | H5 | 21.0° | 65.0° |
| NAW | CAR | CAQ | H6 | 138.3° | 175.1° |
| CAS | CAR | NAW | CAV | 1.2° | 0.6° |
| CAR | CAS | CAT | H1 | 180.0° | 179.7° |
| CAR | CAS | CAT | CAU | 1.6° | 0.2° |
| CAR | CAS | CAT | H2 | 178.4° | 179.8° |
| CAS | CAR | CAQ | H5 | 157.4° | 115.5° |
| CAS | CAR | CAQ | H6 | 40.1° | 4.4° |
| NAW | CAV | CAU | H4 | 180.0° | 179.9° |
| NAW | CAV | CAU | CAT | 0.2° | 0.1° |
| NAW | CAV | CAU | H3 | 179.8° | 179.9° |
| NAN | CAM | NAL | CAC | 178.8° | 175.5° |
| CAM | NAN | CAP | H7 | 50.7° | 60.0° |
| CAM | NAN | CAP | H8 | 171.6° | 59.9° |
| NAN | CAM | NAL | H10 | 1.2° | 4.5° |
| CAM | NAL | CAC | H10 | 180.0° | 180.0° |
| CAM | NAL | CAC | CAB | 56.9° | 145.6° |
| CAM | NAL | CAC | CAD | 125.2° | 34.6° |
| NAL | CAM | NAN | H9 | 3.5° | 0.1° |
| CAS | CAT | CAU | CAV | 0.8° | 0.0° |
| CAS | CAT | CAU | H2 | 180.0° | 179.9° |
| CAS | CAT | CAU | H3 | 179.2° | 180.0° |
| CAV | CAU | CAT | H3 | 180.0° | 180.0° |
| CAV | CAU | CAT | H2 | 179.2° | 180.0° |
| OAK | CAB | CAC | NAL | 0.3° | 0.0° |
| OAK | CAB | CAC | CAA | 179.8° | 180.0° |
| OAK | CAB | CAC | CAD | 178.2° | 179.8° |
| OAK | CAB | CAA | CAF | 177.9° | 180.0° |
| OAK | CAB | CAA | H13 | 2.1° | 0.0° |
| CAU | CAT | CAS | H1 | 178.4° | 180.0° |
| CAT | CAU | CAV | H4 | 179.8° | 180.0° |
| NAL | CAC | CAB | CAD | 177.8° | 179.8° |
| NAL | CAC | CAB | CAA | 179.8° | 180.0° |
| NAL | CAC | CAD | CAE | 179.7° | 180.0° |
| NAL | CAC | CAD | H11 | 0.3° | 0.0° |
| CAC | CAB | CAA | CAF | 2.3° | 0.0° |
| CAB | CAC | CAD | CAE | 1.8° | 0.3° |
| CAB | CAC | NAL | H10 | 123.1° | 34.4° |
| CAB | CAC | CAD | H11 | 178.2° | 179.8° |
| CAC | CAB | OAK | H12 | 44.3° | 90.0° |
| CAC | CAB | CAA | H13 | 177.7° | 180.0° |
| CAA | CAB | CAC | CAD | 2.0° | 0.2° |
| CAB | CAA | CAF | H13 | 180.0° | 180.0° |
| CAB | CAA | CAF | CAE | 2.4° | 0.2° |
| CAA | CAB | OAK | H12 | 135.5° | 90.0° |
| CAB | CAA | CAF | H14 | 177.6° | 179.9° |
| CAC | CAD | CAE | H11 | 180.0° | 180.0° |
| CAC | CAD | CAE | CAF | 2.0° | 0.0° |
| CAC | CAD | CAE | SAG | 179.6° | 180.0° |
| CAD | CAC | NAL | H10 | 54.8° | 145.4° |
| CAA | CAF | CAE | CAD | 2.3° | 0.2° |
| CAA | CAF | CAE | H14 | 180.0° | 179.8° |
| CAA | CAF | CAE | SAG | 179.2° | 179.7° |
| CAD | CAE | CAF | SAG | 178.4° | 180.0° |
| CAD | CAE | SAG | NAJ | 45.3° | 90.0° |
| CAD | CAE | SAG | OAH | 161.0° | 156.4° |
| CAD | CAE | SAG | OAI | 77.9° | 23.6° |
| CAD | CAE | CAF | H14 | 177.7° | 180.0° |
| CAF | CAE | SAG | NAJ | 136.3° | 90.0° |
| CAF | CAE | SAG | OAH | 20.5° | 23.6° |
| CAF | CAE | SAG | OAI | 100.5° | 156.5° |
| CAF | CAE | CAD | H11 | 178.0° | 180.0° |
| CAE | CAF | CAA | H13 | 177.6° | 179.7° |
| NAJ | SAG | CAE | OAH | 115.8° | 113.6° |
| NAJ | SAG | CAE | OAI | 123.2° | 113.5° |
| NAJ | SAG | OAH | OAI | 125.6° | 122.9° |
| SAG | NAJ | H15 | H16 | 120.0° | 179.9° |
| CAE | SAG | OAH | OAI | 117.9° | 123.0° |
| SAG | CAE | CAD | H11 | 0.4° | 0.0° |
| SAG | CAE | CAF | H14 | 0.8° | 0.1° |
| CAE | SAG | NAJ | H15 | 180.0° | 150.0° |
| CAE | SAG | NAJ | H16 | 60.0° | 29.9° |
| OAH | SAG | NAJ | H15 | 65.4° | 36.4° |
| OAH | SAG | NAJ | H16 | 54.6° | 143.5° |
| OAI | SAG | NAJ | H15 | 59.9° | 96.5° |
| OAI | SAG | NAJ | H16 | 180.0° | 83.6° |
| H1 | CAS | CAT | H2 | 1.6° | 0.1° |
| H2 | CAT | CAU | H3 | 0.8° | 0.1° |
| H3 | CAU | CAV | H4 | 0.2° | 0.0° |
| H5 | CAQ | CAP | H7 | 85.7° | 180.0° |
| H5 | CAQ | CAP | H8 | 35.1° | 60.1° |
| H6 | CAQ | CAP | H7 | 31.6° | 60.1° |
| H6 | CAQ | CAP | H8 | 152.4° | 179.9° |
| H7 | CAP | NAN | H9 | 129.3° | 120.0° |
| H8 | CAP | NAN | H9 | 8.4° | 120.0° |
| H13 | CAA | CAF | H14 | 2.4° | 0.1° |
