3M8
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| NAJ | CAG | trip | 1.14Å | 1.01Å | |
| CAG | CAA | sing | 1.43Å | 1.49Å | |
| FAH | CAF | sing | 1.35Å | 1.34Å | |
| CAA | CAF | doub | 1.40Å | 1.40Å | Aromatic |
| CAA | CAB | sing | 1.41Å | 1.40Å | Aromatic |
| CAF | CAE | sing | 1.38Å | 1.43Å | Aromatic |
| SAK | CAB | sing | 1.76Å | 1.75Å | |
| SAK | CAL | sing | 1.81Å | 1.82Å | |
| CAB | CAC | doub | 1.39Å | 1.42Å | Aromatic |
| CAE | CAD | doub | 1.39Å | 1.40Å | Aromatic |
| CAC | CAD | sing | 1.39Å | 1.38Å | Aromatic |
| CAD | OAI | sing | 1.36Å | 1.35Å | |
| CAL | CAM | sing | 1.53Å | 1.54Å | |
| CAM | SAN | sing | 1.81Å | 1.76Å | |
| SAN | OAP | doub | 1.42Å | 1.51Å | |
| SAN | OAO | doub | 1.42Å | 1.47Å | |
| SAN | OAQ | sing | 1.52Å | 1.47Å | |
| CAM | H1 | sing | 1.09Å | 1.10Å | |
| CAM | H2 | sing | 1.09Å | 1.10Å | |
| CAL | H3 | sing | 1.09Å | 1.10Å | |
| CAL | H4 | sing | 1.09Å | 1.10Å | |
| CAC | H5 | sing | 1.08Å | 1.08Å | |
| OAI | H6 | sing | 0.97Å | 0.95Å | |
| CAE | H7 | sing | 1.08Å | 1.08Å | |
| OAQ | H8 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| NAJ | CAG | CAA | 179.5° | 180.0° |
| CAG | CAA | CAF | 119.0° | 120.1° |
| CAG | CAA | CAB | 118.5° | 120.2° |
| FAH | CAF | CAA | 116.1° | 120.1° |
| FAH | CAF | CAE | 120.0° | 120.0° |
| CAF | CAA | CAB | 122.5° | 119.7° |
| CAA | CAF | CAE | 123.6° | 119.9° |
| CAA | CAB | SAK | 120.7° | 120.2° |
| CAA | CAB | CAC | 115.3° | 119.7° |
| CAF | CAE | CAD | 110.3° | 120.3° |
| CAF | CAE | H7 | 124.8° | 119.8° |
| CAB | SAK | CAL | 96.3° | 103.0° |
| SAK | CAB | CAC | 123.8° | 120.1° |
| SAK | CAL | CAM | 110.9° | 109.5° |
| SAK | CAL | H3 | 109.1° | 109.5° |
| SAK | CAL | H4 | 109.1° | 109.5° |
| CAB | CAC | CAD | 119.7° | 120.1° |
| CAB | CAC | H5 | 120.1° | 120.0° |
| CAE | CAD | CAC | 128.3° | 120.3° |
| CAE | CAD | OAI | 112.7° | 119.9° |
| CAD | CAE | H7 | 124.8° | 119.8° |
| CAC | CAD | OAI | 118.7° | 119.8° |
| CAD | CAC | H5 | 120.2° | 120.0° |
| CAD | OAI | H6 | 109.5° | 114.0° |
| CAL | CAM | SAN | 105.0° | 109.4° |
| CAL | CAM | H1 | 110.6° | 109.4° |
| CAL | CAM | H2 | 110.6° | 109.5° |
| CAM | CAL | H3 | 109.1° | 109.4° |
| CAM | CAL | H4 | 109.1° | 109.5° |
| CAM | SAN | OAP | 106.8° | 110.6° |
| CAM | SAN | OAO | 107.3° | 110.5° |
| CAM | SAN | OAQ | 111.2° | 104.4° |
| SAN | CAM | H1 | 110.6° | 109.5° |
| SAN | CAM | H2 | 110.6° | 109.5° |
| OAP | SAN | OAO | 109.9° | 121.1° |
| OAP | SAN | OAQ | 112.8° | 104.2° |
| OAO | SAN | OAQ | 108.8° | 104.2° |
| SAN | OAQ | H8 | 109.5° | 114.0° |
| H1 | CAM | H2 | 109.5° | 109.5° |
| H3 | CAL | H4 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| NAJ | CAG | CAA | CAF | 74.8° | 116.6° |
| NAJ | CAG | CAA | CAB | 107.3° | 64.0° |
| CAG | CAA | CAF | FAH | 5.1° | 0.3° |
| CAG | CAA | CAF | CAB | 177.8° | 179.4° |
| CAG | CAA | CAF | CAE | 178.7° | 180.0° |
| CAG | CAA | CAB | SAK | 7.2° | 0.3° |
| CAG | CAA | CAB | CAC | 178.1° | 180.0° |
| FAH | CAF | CAA | CAE | 173.7° | 179.7° |
| FAH | CAF | CAA | CAB | 177.1° | 179.7° |
| FAH | CAF | CAE | CAD | 177.9° | 180.0° |
| FAH | CAF | CAE | H7 | 2.1° | 0.0° |
| CAF | CAA | CAB | SAK | 174.9° | 179.7° |
| CAF | CAA | CAB | CAC | 0.3° | 0.6° |
| CAA | CAF | CAE | CAD | 4.5° | 0.3° |
| CAA | CAF | CAE | H7 | 175.5° | 179.7° |
| CAB | CAA | CAF | CAE | 3.4° | 0.6° |
| CAA | CAB | SAK | CAC | 174.1° | 179.7° |
| CAA | CAB | SAK | CAL | 106.7° | 179.7° |
| CAA | CAB | CAC | CAD | 1.1° | 0.3° |
| CAA | CAB | CAC | H5 | 178.8° | 179.7° |
| CAF | CAE | CAD | H7 | 180.0° | 180.0° |
| CAF | CAE | CAD | CAC | 3.1° | 0.0° |
| CAF | CAE | CAD | OAI | 177.5° | 180.0° |
| SAK | CAB | CAC | CAD | 173.3° | 180.0° |
| CAB | SAK | CAL | CAM | 75.1° | 180.0° |
| CAB | SAK | CAL | H3 | 45.1° | 60.0° |
| CAB | SAK | CAL | H4 | 164.6° | 60.0° |
| SAK | CAB | CAC | H5 | 6.7° | 0.1° |
| CAL | SAK | CAB | CAC | 79.2° | 0.0° |
| SAK | CAL | CAM | H3 | 120.2° | 120.0° |
| SAK | CAL | CAM | H4 | 120.2° | 120.0° |
| SAK | CAL | CAM | SAN | 162.9° | 180.0° |
| SAK | CAL | CAM | H1 | 77.8° | 60.0° |
| SAK | CAL | CAM | H2 | 43.6° | 60.0° |
| SAK | CAL | H3 | H4 | 119.4° | 120.0° |
| CAB | CAC | CAD | CAE | 0.4° | 0.0° |
| CAB | CAC | CAD | H5 | 180.0° | 180.0° |
| CAB | CAC | CAD | OAI | 174.6° | 180.0° |
| CAE | CAD | CAC | OAI | 174.1° | 180.0° |
| CAE | CAD | CAC | H5 | 179.6° | 180.0° |
| CAE | CAD | OAI | H6 | 180.0° | 90.0° |
| CAC | CAD | OAI | H6 | 5.0° | 90.0° |
| CAC | CAD | CAE | H7 | 176.9° | 180.0° |
| OAI | CAD | CAC | H5 | 5.4° | 0.0° |
| OAI | CAD | CAE | H7 | 2.5° | 0.0° |
| CAL | CAM | SAN | H1 | 119.3° | 119.9° |
| CAL | CAM | SAN | H2 | 119.3° | 120.0° |
| CAL | CAM | SAN | OAP | 173.3° | 68.4° |
| CAL | CAM | SAN | OAO | 69.0° | 68.5° |
| CAL | CAM | SAN | OAQ | 49.8° | 180.0° |
| CAL | CAM | H1 | H2 | 122.1° | 120.0° |
| CAM | CAL | H3 | H4 | 119.4° | 120.0° |
| CAM | SAN | OAP | OAO | 116.0° | 131.6° |
| CAM | SAN | OAP | OAQ | 122.4° | 111.7° |
| CAM | SAN | OAO | OAQ | 120.3° | 111.7° |
| SAN | CAM | H1 | H2 | 122.1° | 120.0° |
| SAN | CAM | CAL | H3 | 42.7° | 60.0° |
| SAN | CAM | CAL | H4 | 76.9° | 60.0° |
| CAM | SAN | OAQ | H8 | 118.0° | 180.0° |
| OAP | SAN | OAO | OAQ | 123.9° | 116.7° |
| OAP | SAN | CAM | H1 | 54.0° | 51.6° |
| OAP | SAN | CAM | H2 | 67.4° | 171.6° |
| OAP | SAN | OAQ | H8 | 122.1° | 63.9° |
| OAO | SAN | CAM | H1 | 171.7° | 171.6° |
| OAO | SAN | CAM | H2 | 50.3° | 51.6° |
| OAO | SAN | OAQ | H8 | 0.0° | 63.9° |
| OAQ | SAN | CAM | H1 | 69.5° | 60.0° |
| OAQ | SAN | CAM | H2 | 169.1° | 60.0° |
| H1 | CAM | CAL | H3 | 162.0° | 180.0° |
| H1 | CAM | CAL | H4 | 42.4° | 60.0° |
| H2 | CAM | CAL | H3 | 76.6° | 60.0° |
| H2 | CAM | CAL | H4 | 163.8° | 180.0° |
