N84
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAP | CAQ | sing | 1.51Å | 1.54Å | |
| CAP | NAN | sing | 1.46Å | 1.46Å | |
| CAQ | CAR | doub | 1.39Å | 1.40Å | Aromatic |
| CAQ | CAV | sing | 1.39Å | 1.39Å | Aromatic |
| CAR | CAS | sing | 1.38Å | 1.39Å | Aromatic |
| CAV | CAU | doub | 1.38Å | 1.39Å | Aromatic |
| CAS | NAT | doub | 1.32Å | 1.31Å | Aromatic |
| CAU | NAT | sing | 1.32Å | 1.33Å | Aromatic |
| OAO | CAM | doub | 1.22Å | 1.19Å | |
| NAN | CAM | sing | 1.35Å | 1.46Å | |
| CAM | NAL | sing | 1.35Å | 1.44Å | |
| OAK | CAB | sing | 1.36Å | 1.39Å | |
| NAL | CAC | sing | 1.40Å | 1.45Å | |
| CAB | CAC | doub | 1.39Å | 1.40Å | Aromatic |
| CAB | CAA | sing | 1.38Å | 1.37Å | Aromatic |
| CAC | CAD | sing | 1.39Å | 1.38Å | Aromatic |
| CAA | CAF | doub | 1.38Å | 1.39Å | Aromatic |
| CAD | CAE | doub | 1.38Å | 1.37Å | Aromatic |
| CAF | CAE | sing | 1.38Å | 1.39Å | Aromatic |
| CAE | SAG | sing | 1.76Å | 1.79Å | |
| NAJ | SAG | sing | 1.66Å | 1.71Å | |
| SAG | OAI | doub | 1.42Å | 1.65Å | |
| SAG | OAH | doub | 1.42Å | 1.62Å | |
| CAA | H1 | sing | 1.08Å | 1.08Å | |
| CAD | H2 | sing | 1.08Å | 1.08Å | |
| CAF | H3 | sing | 1.08Å | 1.08Å | |
| CAP | H4 | sing | 1.09Å | 1.10Å | |
| CAP | H5 | sing | 1.09Å | 1.10Å | |
| CAR | H6 | sing | 1.08Å | 1.08Å | |
| CAS | H7 | sing | 1.08Å | 1.08Å | |
| CAU | H8 | sing | 1.08Å | 1.08Å | |
| CAV | H9 | sing | 1.08Å | 1.08Å | |
| NAJ | H10 | sing | 0.97Å | 1.00Å | |
| NAJ | H11 | sing | 0.97Å | 1.00Å | |
| NAL | H12 | sing | 0.97Å | 1.00Å | |
| NAN | H13 | sing | 0.97Å | 1.00Å | |
| OAK | H14 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAQ | CAP | NAN | 108.3° | 109.5° |
| CAP | CAQ | CAR | 120.4° | 120.8° |
| CAP | CAQ | CAV | 121.1° | 120.8° |
| CAQ | CAP | H4 | 109.8° | 109.4° |
| CAQ | CAP | H5 | 109.8° | 109.4° |
| CAP | NAN | CAM | 124.1° | 120.0° |
| NAN | CAP | H4 | 109.7° | 109.5° |
| NAN | CAP | H5 | 109.8° | 109.5° |
| CAP | NAN | H13 | 117.9° | 120.0° |
| CAR | CAQ | CAV | 118.4° | 118.4° |
| CAQ | CAR | CAS | 119.6° | 119.2° |
| CAQ | CAR | H6 | 120.2° | 120.4° |
| CAQ | CAV | CAU | 118.0° | 119.1° |
| CAQ | CAV | H9 | 121.0° | 120.5° |
| CAR | CAS | NAT | 120.7° | 120.7° |
| CAS | CAR | H6 | 120.2° | 120.4° |
| CAR | CAS | H7 | 119.7° | 119.7° |
| CAV | CAU | NAT | 122.2° | 120.8° |
| CAV | CAU | H8 | 118.9° | 119.6° |
| CAU | CAV | H9 | 121.0° | 120.4° |
| CAS | NAT | CAU | 121.2° | 121.7° |
| NAT | CAS | H7 | 119.6° | 119.6° |
| NAT | CAU | H8 | 118.9° | 119.6° |
| OAO | CAM | NAN | 122.6° | 120.0° |
| OAO | CAM | NAL | 118.7° | 120.0° |
| NAN | CAM | NAL | 118.6° | 120.0° |
| CAM | NAN | H13 | 117.9° | 120.0° |
| CAM | NAL | CAC | 122.0° | 120.0° |
| CAM | NAL | H12 | 119.0° | 120.0° |
| OAK | CAB | CAC | 120.9° | 120.1° |
| OAK | CAB | CAA | 118.1° | 120.1° |
| CAB | OAK | H14 | 109.5° | 114.0° |
| NAL | CAC | CAB | 121.2° | 120.1° |
| NAL | CAC | CAD | 118.5° | 120.0° |
| CAC | NAL | H12 | 119.0° | 120.0° |
| CAC | CAB | CAA | 121.0° | 119.8° |
| CAB | CAC | CAD | 120.3° | 119.8° |
| CAB | CAA | CAF | 118.6° | 120.0° |
| CAB | CAA | H1 | 120.7° | 120.0° |
| CAC | CAD | CAE | 118.4° | 120.0° |
| CAC | CAD | H2 | 120.8° | 120.0° |
| CAA | CAF | CAE | 119.8° | 120.2° |
| CAF | CAA | H1 | 120.7° | 120.0° |
| CAA | CAF | H3 | 120.1° | 119.9° |
| CAD | CAE | CAF | 121.8° | 120.1° |
| CAD | CAE | SAG | 119.5° | 119.9° |
| CAE | CAD | H2 | 120.8° | 120.0° |
| CAF | CAE | SAG | 118.7° | 120.0° |
| CAE | CAF | H3 | 120.1° | 119.9° |
| CAE | SAG | NAJ | 111.6° | 107.2° |
| CAE | SAG | OAI | 105.4° | 106.4° |
| CAE | SAG | OAH | 107.8° | 106.4° |
| NAJ | SAG | OAI | 113.0° | 106.4° |
| NAJ | SAG | OAH | 110.2° | 106.4° |
| SAG | NAJ | H10 | 109.5° | 120.0° |
| SAG | NAJ | H11 | 109.5° | 120.0° |
| OAI | SAG | OAH | 108.6° | 123.2° |
| H4 | CAP | H5 | 109.5° | 109.4° |
| H10 | NAJ | H11 | 109.5° | 120.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAQ | CAP | NAN | H4 | 119.8° | 120.0° |
| CAQ | CAP | NAN | H5 | 119.8° | 120.0° |
| CAP | CAQ | CAR | CAV | 179.3° | 179.8° |
| CAP | CAQ | CAR | CAS | 179.6° | 180.0° |
| CAP | CAQ | CAV | CAU | 179.4° | 180.0° |
| CAQ | CAP | NAN | CAM | 152.1° | 180.0° |
| CAQ | CAP | H4 | H5 | 120.6° | 119.9° |
| CAP | CAQ | CAR | H6 | 0.4° | 0.0° |
| CAP | CAQ | CAV | H9 | 0.6° | 0.1° |
| CAQ | CAP | NAN | H13 | 27.9° | 0.0° |
| NAN | CAP | CAQ | CAR | 78.5° | 90.0° |
| NAN | CAP | CAQ | CAV | 100.8° | 90.2° |
| CAP | NAN | CAM | OAO | 0.3° | 0.0° |
| CAP | NAN | CAM | H13 | 180.0° | 180.0° |
| CAP | NAN | CAM | NAL | 180.0° | 180.0° |
| NAN | CAP | H4 | H5 | 120.5° | 120.0° |
| CAQ | CAR | CAS | H6 | 180.0° | 180.0° |
| CAR | CAQ | CAV | CAU | 0.1° | 0.2° |
| CAQ | CAR | CAS | NAT | 0.3° | 0.0° |
| CAR | CAQ | CAP | H4 | 161.7° | 150.0° |
| CAR | CAQ | CAP | H5 | 41.3° | 30.1° |
| CAQ | CAR | CAS | H7 | 179.8° | 180.0° |
| CAR | CAQ | CAV | H9 | 179.9° | 179.8° |
| CAV | CAQ | CAR | CAS | 0.3° | 0.2° |
| CAQ | CAV | CAU | H9 | 180.0° | 179.9° |
| CAQ | CAV | CAU | NAT | 0.1° | 0.1° |
| CAV | CAQ | CAP | H4 | 19.0° | 29.8° |
| CAV | CAQ | CAP | H5 | 139.4° | 149.7° |
| CAV | CAQ | CAR | H6 | 179.8° | 179.8° |
| CAQ | CAV | CAU | H8 | 179.9° | 179.8° |
| CAR | CAS | NAT | H7 | 180.0° | 180.0° |
| CAR | CAS | NAT | CAU | 0.1° | 0.3° |
| CAV | CAU | NAT | CAS | 0.1° | 0.3° |
| CAV | CAU | NAT | H8 | 180.0° | 179.7° |
| NAT | CAS | CAR | H6 | 179.7° | 180.0° |
| CAS | NAT | CAU | H8 | 179.9° | 180.0° |
| CAU | NAT | CAS | H7 | 179.9° | 179.8° |
| NAT | CAU | CAV | H9 | 179.9° | 180.0° |
| OAO | CAM | NAN | NAL | 179.8° | 179.9° |
| OAO | CAM | NAL | CAC | 0.9° | 5.7° |
| OAO | CAM | NAL | H12 | 179.1° | 174.4° |
| OAO | CAM | NAN | H13 | 179.7° | 180.0° |
| NAN | CAM | NAL | CAC | 179.3° | 174.4° |
| CAM | NAN | CAP | H4 | 32.3° | 60.0° |
| CAM | NAN | CAP | H5 | 88.0° | 60.0° |
| NAN | CAM | NAL | H12 | 0.7° | 5.6° |
| CAM | NAL | CAC | H12 | 180.0° | 180.0° |
| CAM | NAL | CAC | CAB | 47.3° | 155.2° |
| CAM | NAL | CAC | CAD | 135.0° | 24.8° |
| NAL | CAM | NAN | H13 | 0.1° | 0.0° |
| OAK | CAB | CAC | NAL | 1.1° | 0.0° |
| OAK | CAB | CAC | CAA | 180.0° | 180.0° |
| OAK | CAB | CAC | CAD | 178.7° | 180.0° |
| OAK | CAB | CAA | CAF | 178.6° | 180.0° |
| OAK | CAB | CAA | H1 | 1.4° | 0.2° |
| NAL | CAC | CAB | CAD | 177.7° | 180.0° |
| NAL | CAC | CAB | CAA | 178.9° | 180.0° |
| NAL | CAC | CAD | CAE | 179.0° | 180.0° |
| NAL | CAC | CAD | H2 | 1.0° | 0.0° |
| CAC | CAB | CAA | CAF | 1.3° | 0.1° |
| CAB | CAC | CAD | CAE | 1.2° | 0.0° |
| CAC | CAB | CAA | H1 | 178.6° | 179.7° |
| CAB | CAC | CAD | H2 | 178.8° | 180.0° |
| CAB | CAC | NAL | H12 | 132.7° | 24.8° |
| CAC | CAB | OAK | H14 | 39.9° | 90.0° |
| CAA | CAB | CAC | CAD | 1.2° | 0.0° |
| CAB | CAA | CAF | H1 | 180.0° | 179.8° |
| CAB | CAA | CAF | CAE | 1.5° | 0.1° |
| CAB | CAA | CAF | H3 | 178.5° | 179.7° |
| CAA | CAB | OAK | H14 | 140.1° | 90.0° |
| CAC | CAD | CAE | H2 | 180.0° | 180.0° |
| CAC | CAD | CAE | CAF | 1.4° | 0.0° |
| CAC | CAD | CAE | SAG | 179.6° | 180.0° |
| CAD | CAC | NAL | H12 | 45.0° | 155.2° |
| CAA | CAF | CAE | CAD | 1.5° | 0.1° |
| CAA | CAF | CAE | H3 | 180.0° | 179.7° |
| CAA | CAF | CAE | SAG | 179.8° | 180.0° |
| CAD | CAE | CAF | SAG | 178.3° | 179.9° |
| CAD | CAE | SAG | NAJ | 39.9° | 90.0° |
| CAD | CAE | SAG | OAI | 163.0° | 23.5° |
| CAD | CAE | SAG | OAH | 81.2° | 156.5° |
| CAD | CAE | CAF | H3 | 178.4° | 179.7° |
| CAF | CAE | SAG | NAJ | 141.8° | 90.0° |
| CAF | CAE | SAG | OAI | 18.7° | 156.4° |
| CAF | CAE | SAG | OAH | 97.1° | 23.5° |
| CAE | CAF | CAA | H1 | 178.5° | 179.7° |
| CAF | CAE | CAD | H2 | 178.6° | 180.0° |
| CAE | SAG | NAJ | OAI | 118.6° | 113.5° |
| CAE | SAG | NAJ | OAH | 119.7° | 113.5° |
| CAE | SAG | OAI | OAH | 115.3° | 123.0° |
| SAG | CAE | CAD | H2 | 0.4° | 0.1° |
| SAG | CAE | CAF | H3 | 0.2° | 0.3° |
| CAE | SAG | NAJ | H10 | 180.0° | 150.0° |
| CAE | SAG | NAJ | H11 | 60.0° | 30.0° |
| NAJ | SAG | OAI | OAH | 122.6° | 122.9° |
| SAG | NAJ | H10 | H11 | 120.0° | 180.0° |
| OAI | SAG | NAJ | H10 | 61.4° | 96.5° |
| OAI | SAG | NAJ | H11 | 58.6° | 83.6° |
| OAH | SAG | NAJ | H10 | 60.3° | 36.5° |
| OAH | SAG | NAJ | H11 | 179.6° | 143.5° |
| H1 | CAA | CAF | H3 | 1.5° | 0.1° |
| H4 | CAP | NAN | H13 | 147.7° | 120.0° |
| H5 | CAP | NAN | H13 | 91.9° | 120.0° |
| H6 | CAR | CAS | H7 | 0.2° | 0.0° |
| H8 | CAU | CAV | H9 | 0.1° | 0.3° |
