M5B
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OAB | SAN | doub | 1.42Å | 1.65Å | |
| NAH | SAN | sing | 1.66Å | 1.70Å | |
| NAH | CAL | sing | 1.38Å | 1.45Å | |
| NAI | CAL | sing | 1.36Å | 1.32Å | Aromatic |
| NAI | CAF | sing | 1.38Å | 1.32Å | Aromatic |
| SAN | CAM | sing | 1.76Å | 1.81Å | |
| SAN | OAA | doub | 1.42Å | 1.65Å | |
| CAL | NAJ | doub | 1.31Å | 1.32Å | Aromatic |
| CAE | CAM | doub | 1.33Å | 1.41Å | Aromatic |
| CAE | CAC | sing | 1.38Å | 1.43Å | Aromatic |
| CAF | CAG | doub | 1.34Å | 1.39Å | Aromatic |
| CAM | SAK | sing | 1.76Å | 1.69Å | Aromatic |
| CAC | CAD | doub | 1.33Å | 1.41Å | Aromatic |
| NAJ | CAG | sing | 1.34Å | 1.33Å | Aromatic |
| SAK | CAD | sing | 1.76Å | 1.69Å | Aromatic |
| CAC | H1 | sing | 1.08Å | 1.08Å | |
| CAD | H2 | sing | 1.08Å | 1.08Å | |
| CAE | H3 | sing | 1.08Å | 1.08Å | |
| CAF | H4 | sing | 1.08Å | 1.08Å | |
| CAG | H5 | sing | 1.08Å | 1.08Å | |
| NAH | H6 | sing | 0.97Å | 1.00Å | |
| NAI | H7 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OAB | SAN | NAH | 109.1° | 106.4° |
| OAB | SAN | CAM | 108.4° | 106.4° |
| OAB | SAN | OAA | 109.3° | 123.1° |
| SAN | NAH | CAL | 117.6° | 120.0° |
| NAH | SAN | CAM | 108.2° | 107.3° |
| NAH | SAN | OAA | 110.9° | 106.4° |
| SAN | NAH | H6 | 107.4° | 120.0° |
| NAH | CAL | NAI | 125.1° | 125.8° |
| NAH | CAL | NAJ | 124.3° | 125.8° |
| CAL | NAH | H6 | 107.4° | 120.0° |
| CAL | NAI | CAF | 107.2° | 107.0° |
| NAI | CAL | NAJ | 110.6° | 108.4° |
| CAL | NAI | H7 | 126.4° | 126.5° |
| NAI | CAF | CAG | 107.9° | 106.9° |
| NAI | CAF | H4 | 126.1° | 126.5° |
| CAF | NAI | H7 | 126.4° | 126.5° |
| CAM | SAN | OAA | 110.8° | 106.4° |
| SAN | CAM | CAE | 125.7° | 125.2° |
| SAN | CAM | SAK | 125.0° | 125.2° |
| CAL | NAJ | CAG | 108.0° | 109.3° |
| CAM | CAE | CAC | 110.4° | 114.9° |
| CAE | CAM | SAK | 109.3° | 109.6° |
| CAM | CAE | H3 | 124.8° | 122.5° |
| CAE | CAC | CAD | 116.0° | 114.9° |
| CAE | CAC | H1 | 122.0° | 122.6° |
| CAC | CAE | H3 | 124.8° | 122.6° |
| CAF | CAG | NAJ | 106.3° | 108.3° |
| CAG | CAF | H4 | 126.0° | 126.5° |
| CAF | CAG | H5 | 126.8° | 125.8° |
| CAM | SAK | CAD | 97.8° | 91.0° |
| CAC | CAD | SAK | 106.5° | 109.6° |
| CAD | CAC | H1 | 122.0° | 122.5° |
| CAC | CAD | H2 | 126.7° | 125.2° |
| NAJ | CAG | H5 | 126.9° | 125.9° |
| SAK | CAD | H2 | 126.8° | 125.2° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OAB | SAN | NAH | CAM | 117.8° | 113.6° |
| OAB | SAN | NAH | OAA | 120.5° | 132.9° |
| OAB | SAN | NAH | CAL | 168.8° | 178.5° |
| OAB | SAN | CAM | OAA | 120.0° | 132.9° |
| OAB | SAN | CAM | CAE | 71.7° | 23.6° |
| OAB | SAN | CAM | SAK | 107.4° | 156.7° |
| OAB | SAN | NAH | H6 | 47.7° | 1.4° |
| SAN | NAH | CAL | H6 | 121.2° | 179.9° |
| SAN | NAH | CAL | NAI | 172.0° | 165.5° |
| NAH | SAN | CAM | OAA | 121.8° | 113.5° |
| SAN | NAH | CAL | NAJ | 8.2° | 15.0° |
| NAH | SAN | CAM | CAE | 46.5° | 90.0° |
| NAH | SAN | CAM | SAK | 134.3° | 89.7° |
| NAH | CAL | NAI | NAJ | 179.8° | 179.6° |
| NAH | CAL | NAI | CAF | 179.9° | 179.8° |
| CAL | NAH | SAN | CAM | 73.4° | 64.9° |
| CAL | NAH | SAN | OAA | 48.4° | 48.6° |
| NAH | CAL | NAJ | CAG | 180.0° | 180.0° |
| NAH | CAL | NAI | H7 | 0.1° | 0.4° |
| CAL | NAI | CAF | H7 | 180.0° | 179.7° |
| CAL | NAI | CAF | CAG | 0.0° | 0.0° |
| NAI | CAL | NAJ | CAG | 0.1° | 0.4° |
| CAL | NAI | CAF | H4 | 180.0° | 179.8° |
| NAI | CAL | NAH | H6 | 66.8° | 14.4° |
| CAF | NAI | CAL | NAJ | 0.1° | 0.3° |
| NAI | CAF | CAG | H4 | 180.0° | 179.8° |
| NAI | CAF | CAG | NAJ | 0.1° | 0.2° |
| NAI | CAF | CAG | H5 | 179.9° | 179.8° |
| SAN | CAM | CAE | SAK | 179.3° | 179.8° |
| SAN | CAM | CAE | CAC | 179.7° | 180.0° |
| SAN | CAM | SAK | CAD | 179.7° | 179.9° |
| SAN | CAM | CAE | H3 | 0.3° | 0.3° |
| CAM | SAN | NAH | H6 | 165.5° | 114.9° |
| OAA | SAN | CAM | CAE | 168.3° | 156.4° |
| OAA | SAN | CAM | SAK | 12.5° | 23.8° |
| OAA | SAN | NAH | H6 | 72.8° | 131.5° |
| CAL | NAJ | CAG | CAF | 0.1° | 0.4° |
| CAL | NAJ | CAG | H5 | 179.9° | 179.6° |
| NAJ | CAL | NAH | H6 | 113.0° | 165.1° |
| NAJ | CAL | NAI | H7 | 179.9° | 180.0° |
| CAM | CAE | CAC | H3 | 180.0° | 179.7° |
| CAM | CAE | CAC | CAD | 0.2° | 0.0° |
| CAE | CAM | SAK | CAD | 0.4° | 0.4° |
| CAM | CAE | CAC | H1 | 179.8° | 179.7° |
| CAC | CAE | CAM | SAK | 0.4° | 0.3° |
| CAE | CAC | CAD | H1 | 180.0° | 179.7° |
| CAE | CAC | CAD | SAK | 0.1° | 0.3° |
| CAE | CAC | CAD | H2 | 179.9° | 179.7° |
| CAF | CAG | NAJ | H5 | 180.0° | 180.0° |
| CAG | CAF | NAI | H7 | 180.0° | 179.7° |
| CAM | SAK | CAD | CAC | 0.3° | 0.3° |
| CAM | SAK | CAD | H2 | 179.7° | 179.6° |
| SAK | CAM | CAE | H3 | 179.6° | 179.9° |
| CAC | CAD | SAK | H2 | 180.0° | 180.0° |
| CAD | CAC | CAE | H3 | 179.8° | 179.7° |
| NAJ | CAG | CAF | H4 | 179.9° | 179.9° |
| SAK | CAD | CAC | H1 | 179.9° | 180.0° |
| H1 | CAC | CAD | H2 | 0.1° | 0.0° |
| H1 | CAC | CAE | H3 | 0.2° | 0.1° |
| H4 | CAF | CAG | H5 | 0.1° | 0.0° |
| H4 | CAF | NAI | H7 | 0.0° | 0.1° |
