SE6
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OAH | PAG | doub | 1.48Å | 1.52Å | |
| OAM | PAK | doub | 1.48Å | 1.56Å | |
| OAJ | PAK | sing | 1.61Å | 1.62Å | |
| OAJ | PAG | sing | 1.61Å | 1.60Å | |
| CAD | CAO | sing | 1.51Å | 1.51Å | |
| CAD | CAB | sing | 1.51Å | 1.46Å | |
| OAN | PAK | sing | 1.61Å | 1.57Å | |
| CAE | CAC | sing | 1.51Å | 1.48Å | |
| CAE | OAF | sing | 1.43Å | 1.48Å | |
| PAK | OAL | sing | 1.61Å | 1.51Å | |
| PAG | OAF | sing | 1.61Å | 1.63Å | |
| PAG | OAI | sing | 1.61Å | 1.54Å | |
| CAO | CAQ | doub | 1.31Å | 1.47Å | |
| CAB | CAC | doub | 1.31Å | 1.50Å | |
| CAB | CAA | sing | 1.51Å | 1.52Å | |
| CAA | OAP | sing | 1.43Å | 1.41Å | |
| OAN | H1 | sing | 0.97Å | 0.95Å | |
| OAL | H2 | sing | 0.97Å | 0.95Å | |
| OAI | H3 | sing | 0.97Å | 0.95Å | |
| CAE | H4 | sing | 1.09Å | 1.10Å | |
| CAE | H5 | sing | 1.09Å | 1.10Å | |
| CAC | H6 | sing | 1.08Å | 1.08Å | |
| CAA | H7 | sing | 1.09Å | 1.10Å | |
| CAA | H8 | sing | 1.09Å | 1.10Å | |
| OAP | H9 | sing | 0.97Å | 0.95Å | |
| CAD | H10 | sing | 1.09Å | 1.10Å | |
| CAD | H11 | sing | 1.09Å | 1.10Å | |
| CAO | H12 | sing | 1.08Å | 1.08Å | |
| CAQ | H14 | sing | 1.08Å | 1.08Å | |
| CAQ | H15 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OAH | PAG | OAJ | 101.2° | 109.4° |
| OAH | PAG | OAF | 112.5° | 109.5° |
| OAH | PAG | OAI | 116.4° | 109.5° |
| OAM | PAK | OAJ | 103.8° | 109.5° |
| OAM | PAK | OAN | 109.9° | 109.4° |
| OAM | PAK | OAL | 111.9° | 109.5° |
| PAK | OAJ | PAG | 132.2° | 134.0° |
| OAJ | PAK | OAN | 105.5° | 109.4° |
| OAJ | PAK | OAL | 111.8° | 109.5° |
| OAJ | PAG | OAF | 109.0° | 109.4° |
| OAJ | PAG | OAI | 111.4° | 109.5° |
| CAO | CAD | CAB | 105.9° | 109.5° |
| CAD | CAO | CAQ | 122.3° | 120.1° |
| CAO | CAD | H10 | 110.4° | 109.4° |
| CAO | CAD | H11 | 110.4° | 109.4° |
| CAD | CAO | H12 | 118.8° | 120.0° |
| CAD | CAB | CAC | 124.5° | 120.0° |
| CAD | CAB | CAA | 115.6° | 120.0° |
| CAB | CAD | H10 | 110.3° | 109.5° |
| CAB | CAD | H11 | 110.3° | 109.5° |
| OAN | PAK | OAL | 113.3° | 109.5° |
| PAK | OAN | H1 | 109.5° | 114.0° |
| CAC | CAE | OAF | 103.4° | 109.4° |
| CAE | CAC | CAB | 123.3° | 120.0° |
| CAC | CAE | H4 | 111.0° | 109.4° |
| CAC | CAE | H5 | 111.0° | 109.5° |
| CAE | CAC | H6 | 118.3° | 120.0° |
| CAE | OAF | PAG | 115.7° | 122.9° |
| OAF | CAE | H4 | 111.0° | 109.5° |
| OAF | CAE | H5 | 111.0° | 109.5° |
| PAK | OAL | H2 | 109.5° | 114.0° |
| OAF | PAG | OAI | 106.2° | 109.5° |
| PAG | OAI | H3 | 109.5° | 114.1° |
| CAQ | CAO | H12 | 118.8° | 119.9° |
| CAO | CAQ | H14 | 120.0° | 119.9° |
| CAO | CAQ | H15 | 120.0° | 120.0° |
| CAC | CAB | CAA | 119.9° | 120.0° |
| CAB | CAC | H6 | 118.3° | 120.0° |
| CAB | CAA | OAP | 112.1° | 109.5° |
| CAB | CAA | H7 | 108.8° | 109.5° |
| CAB | CAA | H8 | 108.8° | 109.5° |
| OAP | CAA | H7 | 108.8° | 109.5° |
| OAP | CAA | H8 | 108.8° | 109.5° |
| CAA | OAP | H9 | 109.5° | 114.1° |
| H4 | CAE | H5 | 109.4° | 109.5° |
| H7 | CAA | H8 | 109.5° | 109.4° |
| H10 | CAD | H11 | 109.5° | 109.4° |
| H14 | CAQ | H15 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OAH | PAG | OAJ | PAK | 178.0° | 45.1° |
| OAH | PAG | OAJ | OAF | 118.7° | 120.0° |
| OAH | PAG | OAJ | OAI | 124.4° | 120.1° |
| OAH | PAG | OAF | CAE | 49.6° | 55.0° |
| OAH | PAG | OAF | OAI | 128.4° | 120.1° |
| OAH | PAG | OAI | H3 | 0.0° | 180.0° |
| OAM | PAK | OAJ | OAN | 115.6° | 119.9° |
| OAM | PAK | OAJ | OAL | 120.8° | 120.1° |
| OAM | PAK | OAJ | PAG | 128.2° | 44.9° |
| OAM | PAK | OAN | OAL | 126.0° | 120.0° |
| OAM | PAK | OAN | H1 | 0.0° | 180.0° |
| OAM | PAK | OAL | H2 | 0.0° | 60.0° |
| OAJ | PAK | OAN | OAL | 122.7° | 120.0° |
| PAK | OAJ | PAG | OAF | 63.3° | 165.1° |
| PAK | OAJ | PAG | OAI | 53.6° | 75.0° |
| OAJ | PAK | OAN | H1 | 111.3° | 60.0° |
| OAJ | PAK | OAL | H2 | 116.0° | 180.0° |
| PAG | OAJ | PAK | OAN | 116.3° | 75.0° |
| OAJ | PAG | OAF | CAE | 61.9° | 175.0° |
| PAG | OAJ | PAK | OAL | 7.4° | 164.9° |
| OAJ | PAG | OAF | OAI | 120.2° | 120.0° |
| OAJ | PAG | OAI | H3 | 115.3° | 60.0° |
| CAO | CAD | CAB | H10 | 119.5° | 120.0° |
| CAO | CAD | CAB | H11 | 119.5° | 120.0° |
| CAD | CAO | CAQ | H12 | 180.0° | 179.9° |
| CAO | CAD | CAB | CAC | 110.6° | 94.1° |
| CAO | CAD | CAB | CAA | 72.2° | 85.9° |
| CAO | CAD | H10 | H11 | 121.6° | 119.9° |
| CAD | CAO | CAQ | H14 | 180.0° | 0.1° |
| CAD | CAO | CAQ | H15 | 0.0° | 180.0° |
| CAD | CAB | CAC | CAE | 2.2° | 5.6° |
| CAB | CAD | CAO | CAQ | 97.4° | 124.9° |
| CAD | CAB | CAC | CAA | 177.2° | 180.0° |
| CAD | CAB | CAA | OAP | 171.5° | 180.0° |
| CAD | CAB | CAC | H6 | 177.8° | 174.4° |
| CAD | CAB | CAA | H7 | 68.1° | 60.0° |
| CAD | CAB | CAA | H8 | 51.1° | 60.0° |
| CAB | CAD | H10 | H11 | 121.6° | 120.1° |
| CAB | CAD | CAO | H12 | 82.6° | 55.0° |
| OAN | PAK | OAL | H2 | 124.9° | 60.0° |
| CAC | CAE | OAF | H4 | 119.0° | 119.9° |
| CAC | CAE | OAF | H5 | 119.1° | 120.0° |
| CAC | CAE | OAF | PAG | 174.4° | 180.0° |
| CAE | CAC | CAB | H6 | 180.0° | 180.0° |
| CAE | CAC | CAB | CAA | 179.3° | 174.4° |
| CAC | CAE | H4 | H5 | 122.8° | 120.0° |
| CAE | OAF | PAG | OAI | 178.0° | 65.0° |
| OAF | CAE | CAC | CAB | 127.6° | 135.1° |
| OAF | CAE | H4 | H5 | 122.8° | 120.1° |
| OAF | CAE | CAC | H6 | 52.4° | 44.8° |
| OAL | PAK | OAN | H1 | 126.0° | 60.0° |
| OAF | PAG | OAI | H3 | 126.1° | 59.9° |
| PAG | OAF | CAE | H4 | 55.4° | 60.1° |
| PAG | OAF | CAE | H5 | 66.5° | 60.0° |
| CAQ | CAO | CAD | H10 | 22.1° | 4.9° |
| CAQ | CAO | CAD | H11 | 143.2° | 115.0° |
| CAO | CAQ | H14 | H15 | 180.0° | 179.9° |
| CAC | CAB | CAA | OAP | 5.9° | 0.0° |
| CAB | CAC | CAE | H4 | 113.3° | 104.9° |
| CAB | CAC | CAE | H5 | 8.6° | 15.1° |
| CAC | CAB | CAA | H7 | 114.5° | 120.0° |
| CAC | CAB | CAA | H8 | 126.3° | 120.0° |
| CAC | CAB | CAD | H10 | 130.0° | 146.0° |
| CAC | CAB | CAD | H11 | 8.9° | 26.0° |
| CAB | CAA | OAP | H7 | 120.4° | 120.0° |
| CAB | CAA | OAP | H8 | 120.4° | 120.1° |
| CAA | CAB | CAC | H6 | 0.7° | 5.6° |
| CAB | CAA | H7 | H8 | 118.8° | 120.0° |
| CAB | CAA | OAP | H9 | 180.0° | 180.0° |
| CAA | CAB | CAD | H10 | 47.3° | 34.0° |
| CAA | CAB | CAD | H11 | 168.4° | 154.0° |
| OAP | CAA | H7 | H8 | 118.8° | 119.9° |
| H4 | CAE | CAC | H6 | 66.7° | 75.1° |
| H5 | CAE | CAC | H6 | 171.4° | 164.8° |
| H7 | CAA | OAP | H9 | 59.6° | 60.0° |
| H8 | CAA | OAP | H9 | 59.6° | 60.0° |
| H10 | CAD | CAO | H12 | 157.9° | 175.0° |
| H11 | CAD | CAO | H12 | 36.8° | 65.1° |
| H12 | CAO | CAQ | H14 | 0.0° | 180.0° |
| H12 | CAO | CAQ | H15 | 180.0° | 0.0° |
