N7S
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAP | CAO | sing | 1.53Å | 1.53Å | |
| CAP | CAQ | sing | 1.53Å | 1.53Å | |
| CAO | NAN | sing | 1.46Å | 1.46Å | |
| CAQ | CAS | sing | 1.53Å | 1.53Å | |
| OAT | CAS | sing | 1.43Å | 1.40Å | |
| OAR | CAM | doub | 1.22Å | 1.19Å | |
| NAN | CAM | sing | 1.35Å | 1.45Å | |
| CAM | NAL | sing | 1.35Å | 1.45Å | |
| OAK | CAB | sing | 1.36Å | 1.40Å | |
| 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 | 1.38Å | Aromatic |
| CAA | CAF | doub | 1.38Å | 1.39Å | Aromatic |
| CAD | CAE | doub | 1.38Å | 1.38Å | Aromatic |
| CAF | CAE | sing | 1.38Å | 1.38Å | Aromatic |
| CAE | SAG | sing | 1.76Å | 1.78Å | |
| NAJ | SAG | sing | 1.66Å | 1.65Å | |
| OAI | SAG | doub | 1.42Å | 1.56Å | |
| SAG | OAH | doub | 1.42Å | 1.56Å | |
| CAA | H1 | sing | 1.08Å | 1.08Å | |
| CAD | H2 | sing | 1.08Å | 1.08Å | |
| CAF | H3 | sing | 1.08Å | 1.08Å | |
| CAO | H4 | sing | 1.09Å | 1.10Å | |
| CAO | H5 | sing | 1.09Å | 1.10Å | |
| CAP | H6 | sing | 1.09Å | 1.10Å | |
| CAP | H7 | sing | 1.09Å | 1.10Å | |
| CAQ | H8 | sing | 1.09Å | 1.10Å | |
| CAQ | H9 | sing | 1.09Å | 1.10Å | |
| CAS | H10 | sing | 1.09Å | 1.10Å | |
| CAS | H11 | sing | 1.09Å | 1.10Å | |
| NAJ | H12 | sing | 0.97Å | 1.00Å | |
| NAJ | H13 | sing | 0.97Å | 1.00Å | |
| NAL | H14 | sing | 0.97Å | 1.00Å | |
| NAN | H15 | sing | 0.97Å | 1.00Å | |
| OAK | H16 | sing | 0.97Å | 0.95Å | |
| OAT | H17 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAO | CAP | CAQ | 113.6° | 109.4° |
| CAP | CAO | NAN | 112.0° | 109.4° |
| CAP | CAO | H4 | 108.8° | 109.5° |
| CAP | CAO | H5 | 108.8° | 109.5° |
| CAO | CAP | H6 | 108.4° | 109.5° |
| CAO | CAP | H7 | 108.4° | 109.5° |
| CAP | CAQ | CAS | 111.5° | 109.5° |
| CAQ | CAP | H6 | 108.4° | 109.4° |
| CAQ | CAP | H7 | 108.4° | 109.4° |
| CAP | CAQ | H8 | 109.0° | 109.5° |
| CAP | CAQ | H9 | 109.0° | 109.5° |
| CAO | NAN | CAM | 119.1° | 120.0° |
| NAN | CAO | H4 | 108.8° | 109.4° |
| NAN | CAO | H5 | 108.8° | 109.5° |
| CAO | NAN | H15 | 120.4° | 120.0° |
| CAQ | CAS | OAT | 110.3° | 109.5° |
| CAS | CAQ | H8 | 109.0° | 109.5° |
| CAS | CAQ | H9 | 109.0° | 109.4° |
| CAQ | CAS | H10 | 109.3° | 109.5° |
| CAQ | CAS | H11 | 109.3° | 109.4° |
| OAT | CAS | H10 | 109.3° | 109.5° |
| OAT | CAS | H11 | 109.3° | 109.5° |
| CAS | OAT | H17 | 109.5° | 114.0° |
| OAR | CAM | NAN | 120.7° | 120.0° |
| OAR | CAM | NAL | 120.6° | 120.0° |
| NAN | CAM | NAL | 118.7° | 120.0° |
| CAM | NAN | H15 | 120.5° | 120.0° |
| CAM | NAL | CAC | 120.1° | 120.0° |
| CAM | NAL | H14 | 119.9° | 120.0° |
| OAK | CAB | CAC | 121.1° | 120.1° |
| OAK | CAB | CAA | 118.7° | 120.1° |
| CAB | OAK | H16 | 109.5° | 114.0° |
| NAL | CAC | CAB | 122.6° | 120.1° |
| NAL | CAC | CAD | 116.4° | 120.1° |
| CAC | NAL | H14 | 120.0° | 120.0° |
| CAC | CAB | CAA | 120.2° | 119.9° |
| CAB | CAC | CAD | 121.0° | 119.8° |
| CAB | CAA | CAF | 119.1° | 120.0° |
| CAB | CAA | H1 | 120.5° | 120.0° |
| CAC | CAD | CAE | 118.1° | 120.0° |
| CAC | CAD | H2 | 120.9° | 120.0° |
| CAA | CAF | CAE | 120.0° | 120.2° |
| CAF | CAA | H1 | 120.4° | 120.0° |
| CAA | CAF | H3 | 120.0° | 119.9° |
| CAD | CAE | CAF | 121.7° | 120.2° |
| CAD | CAE | SAG | 120.4° | 119.9° |
| CAE | CAD | H2 | 120.9° | 120.1° |
| CAF | CAE | SAG | 118.0° | 120.0° |
| CAE | CAF | H3 | 120.0° | 119.9° |
| CAE | SAG | NAJ | 111.7° | 107.2° |
| CAE | SAG | OAI | 105.1° | 106.4° |
| CAE | SAG | OAH | 104.8° | 106.4° |
| NAJ | SAG | OAI | 109.7° | 106.4° |
| NAJ | SAG | OAH | 109.6° | 106.4° |
| SAG | NAJ | H12 | 109.5° | 120.0° |
| SAG | NAJ | H13 | 109.4° | 120.0° |
| OAI | SAG | OAH | 115.8° | 123.1° |
| H4 | CAO | H5 | 109.5° | 109.5° |
| H6 | CAP | H7 | 109.4° | 109.5° |
| H8 | CAQ | H9 | 109.5° | 109.4° |
| H10 | CAS | H11 | 109.4° | 109.4° |
| H12 | NAJ | H13 | 109.4° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAO | CAP | CAQ | H6 | 120.6° | 120.0° |
| CAO | CAP | CAQ | H7 | 120.6° | 120.0° |
| CAP | CAO | NAN | H4 | 120.4° | 120.0° |
| CAP | CAO | NAN | H5 | 120.4° | 120.0° |
| CAO | CAP | CAQ | CAS | 114.9° | 180.0° |
| CAP | CAO | NAN | CAM | 175.8° | 180.0° |
| CAP | CAO | H4 | H5 | 118.8° | 120.0° |
| CAO | CAP | H6 | H7 | 118.1° | 120.1° |
| CAO | CAP | CAQ | H8 | 124.8° | 60.0° |
| CAO | CAP | CAQ | H9 | 5.4° | 60.0° |
| CAP | CAO | NAN | H15 | 4.2° | 0.0° |
| CAQ | CAP | CAO | NAN | 73.8° | 180.0° |
| CAP | CAQ | CAS | H8 | 120.3° | 120.0° |
| CAP | CAQ | CAS | H9 | 120.3° | 120.0° |
| CAP | CAQ | CAS | OAT | 140.0° | 180.0° |
| CAQ | CAP | CAO | H4 | 46.6° | 60.0° |
| CAQ | CAP | CAO | H5 | 165.8° | 60.0° |
| CAQ | CAP | H6 | H7 | 118.1° | 119.9° |
| CAP | CAQ | H8 | H9 | 119.1° | 120.0° |
| CAP | CAQ | CAS | H10 | 99.9° | 60.0° |
| CAP | CAQ | CAS | H11 | 19.8° | 60.0° |
| CAO | NAN | CAM | OAR | 0.0° | 0.0° |
| CAO | NAN | CAM | H15 | 180.0° | 180.0° |
| CAO | NAN | CAM | NAL | 179.7° | 180.0° |
| NAN | CAO | H4 | H5 | 118.8° | 120.0° |
| NAN | CAO | CAP | H6 | 46.9° | 60.1° |
| NAN | CAO | CAP | H7 | 165.6° | 60.1° |
| CAQ | CAS | OAT | H10 | 120.2° | 120.0° |
| CAQ | CAS | OAT | H11 | 120.1° | 120.0° |
| CAS | CAQ | CAP | H6 | 5.7° | 60.0° |
| CAS | CAQ | CAP | H7 | 124.5° | 60.0° |
| CAS | CAQ | H8 | H9 | 119.1° | 119.9° |
| CAQ | CAS | H10 | H11 | 119.6° | 119.9° |
| CAQ | CAS | OAT | H17 | 180.0° | 180.0° |
| OAT | CAS | CAQ | H8 | 19.7° | 59.9° |
| OAT | CAS | CAQ | H9 | 99.7° | 60.0° |
| OAT | CAS | H10 | H11 | 119.6° | 120.0° |
| OAR | CAM | NAN | NAL | 179.6° | 180.0° |
| OAR | CAM | NAL | CAC | 0.9° | 5.7° |
| OAR | CAM | NAL | H14 | 179.1° | 174.4° |
| OAR | CAM | NAN | H15 | 180.0° | 180.0° |
| NAN | CAM | NAL | CAC | 179.5° | 174.4° |
| CAM | NAN | CAO | H4 | 55.4° | 60.0° |
| CAM | NAN | CAO | H5 | 63.9° | 60.0° |
| NAN | CAM | NAL | H14 | 0.6° | 5.6° |
| CAM | NAL | CAC | H14 | 180.0° | 179.9° |
| CAM | NAL | CAC | CAB | 62.3° | 155.2° |
| CAM | NAL | CAC | CAD | 118.4° | 24.8° |
| NAL | CAM | NAN | H15 | 0.3° | 0.0° |
| OAK | CAB | CAC | NAL | 0.3° | 0.0° |
| OAK | CAB | CAC | CAA | 179.7° | 180.0° |
| OAK | CAB | CAC | CAD | 179.6° | 180.0° |
| OAK | CAB | CAA | CAF | 180.0° | 180.0° |
| OAK | CAB | CAA | H1 | 0.0° | 0.3° |
| NAL | CAC | CAB | CAD | 179.3° | 180.0° |
| NAL | CAC | CAB | CAA | 180.0° | 180.0° |
| NAL | CAC | CAD | CAE | 179.8° | 179.9° |
| NAL | CAC | CAD | H2 | 0.2° | 0.1° |
| CAC | CAB | CAA | CAF | 0.3° | 0.0° |
| CAB | CAC | CAD | CAE | 0.9° | 0.0° |
| CAC | CAB | CAA | H1 | 179.7° | 179.7° |
| CAB | CAC | CAD | H2 | 179.1° | 179.9° |
| CAB | CAC | NAL | H14 | 117.7° | 24.9° |
| CAC | CAB | OAK | H16 | 43.1° | 90.1° |
| CAA | CAB | CAC | CAD | 0.7° | 0.0° |
| CAB | CAA | CAF | H1 | 180.0° | 179.7° |
| CAB | CAA | CAF | CAE | 0.1° | 0.0° |
| CAB | CAA | CAF | H3 | 179.9° | 179.8° |
| CAA | CAB | OAK | H16 | 136.7° | 89.9° |
| CAC | CAD | CAE | H2 | 180.0° | 179.9° |
| CAC | CAD | CAE | CAF | 0.7° | 0.1° |
| CAC | CAD | CAE | SAG | 179.7° | 180.0° |
| CAD | CAC | NAL | H14 | 61.6° | 155.2° |
| CAA | CAF | CAE | CAD | 0.3° | 0.1° |
| CAA | CAF | CAE | H3 | 180.0° | 179.8° |
| CAA | CAF | CAE | SAG | 179.3° | 180.0° |
| CAD | CAE | CAF | SAG | 179.0° | 180.0° |
| CAD | CAE | SAG | NAJ | 42.2° | 90.0° |
| CAD | CAE | SAG | OAI | 161.1° | 23.6° |
| CAD | CAE | SAG | OAH | 76.3° | 156.5° |
| CAD | CAE | CAF | H3 | 179.7° | 179.8° |
| CAF | CAE | SAG | NAJ | 138.8° | 90.0° |
| CAF | CAE | SAG | OAI | 19.9° | 156.5° |
| CAF | CAE | SAG | OAH | 102.7° | 23.5° |
| CAE | CAF | CAA | H1 | 179.9° | 179.7° |
| CAF | CAE | CAD | H2 | 179.3° | 180.0° |
| CAE | SAG | NAJ | OAI | 116.1° | 113.6° |
| CAE | SAG | NAJ | OAH | 115.7° | 113.5° |
| CAE | SAG | OAI | OAH | 115.2° | 123.0° |
| SAG | CAE | CAD | H2 | 0.3° | 0.1° |
| SAG | CAE | CAF | H3 | 0.7° | 0.2° |
| CAE | SAG | NAJ | H12 | 180.0° | 0.0° |
| CAE | SAG | NAJ | H13 | 60.0° | 180.0° |
| NAJ | SAG | OAI | OAH | 124.6° | 122.9° |
| SAG | NAJ | H12 | H13 | 120.0° | 180.0° |
| OAI | SAG | NAJ | H12 | 63.9° | 113.6° |
| OAI | SAG | NAJ | H13 | 56.1° | 66.4° |
| OAH | SAG | NAJ | H12 | 64.3° | 113.6° |
| OAH | SAG | NAJ | H13 | 175.7° | 66.4° |
| H1 | CAA | CAF | H3 | 0.1° | 0.1° |
| H4 | CAO | CAP | H6 | 167.2° | 59.9° |
| H4 | CAO | CAP | H7 | 74.0° | 180.0° |
| H4 | CAO | NAN | H15 | 124.6° | 120.0° |
| H5 | CAO | CAP | H6 | 73.5° | 179.9° |
| H5 | CAO | CAP | H7 | 45.2° | 59.9° |
| H5 | CAO | NAN | H15 | 116.1° | 120.0° |
| H6 | CAP | CAQ | H8 | 114.6° | 180.0° |
| H6 | CAP | CAQ | H9 | 126.0° | 60.0° |
| H7 | CAP | CAQ | H8 | 4.2° | 60.0° |
| H7 | CAP | CAQ | H9 | 115.2° | 180.0° |
| H8 | CAQ | CAS | H10 | 139.8° | 180.0° |
| H8 | CAQ | CAS | H11 | 100.5° | 60.1° |
| H9 | CAQ | CAS | H10 | 20.4° | 60.1° |
| H9 | CAQ | CAS | H11 | 140.1° | 180.0° |
| H10 | CAS | OAT | H17 | 59.8° | 60.0° |
| H11 | CAS | OAT | H17 | 59.9° | 60.0° |
