C6J
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OAN | PAK | doub | 1.48Å | 1.55Å | |
| CAC | CAD | doub | 1.39Å | 1.37Å | Aromatic |
| CAC | CAB | sing | 1.39Å | 1.34Å | Aromatic |
| CAD | CAE | sing | 1.38Å | 1.40Å | Aromatic |
| PAK | OAM | sing | 1.61Å | 1.49Å | |
| PAK | OAL | sing | 1.61Å | 1.58Å | |
| PAK | CAH | sing | 1.82Å | 1.88Å | |
| OAQ | PAI | doub | 1.48Å | 1.59Å | |
| CAB | CAA | doub | 1.38Å | 1.39Å | Aromatic |
| CAE | CAG | sing | 1.51Å | 1.46Å | |
| CAE | NAF | doub | 1.32Å | 1.36Å | Aromatic |
| CAG | CAH | sing | 1.53Å | 1.53Å | |
| CAA | NAF | sing | 1.32Å | 1.36Å | Aromatic |
| CAH | PAI | sing | 1.82Å | 1.81Å | |
| PAI | OAP | sing | 1.61Å | 1.50Å | |
| PAI | OAO | sing | 1.61Å | 1.64Å | |
| NAF | CAJ | sing | 1.47Å | 1.45Å | |
| OAL | H1 | sing | 0.97Å | 0.95Å | |
| OAM | H2 | sing | 0.97Å | 0.95Å | |
| CAH | H3 | sing | 1.09Å | 1.10Å | |
| OAO | H4 | sing | 0.97Å | 0.95Å | |
| OAP | H5 | sing | 0.97Å | 0.95Å | |
| CAG | H6 | sing | 1.09Å | 1.10Å | |
| CAG | H7 | sing | 1.09Å | 1.10Å | |
| CAD | H8 | sing | 1.08Å | 1.08Å | |
| CAC | H9 | sing | 1.08Å | 1.08Å | |
| CAB | H10 | sing | 1.08Å | 1.08Å | |
| CAA | H11 | sing | 1.08Å | 1.08Å | |
| CAJ | H12 | sing | 1.09Å | 1.10Å | |
| CAJ | H13 | sing | 1.09Å | 1.10Å | |
| CAJ | H14 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OAN | PAK | OAM | 117.9° | 109.5° |
| OAN | PAK | OAL | 105.5° | 109.5° |
| OAN | PAK | CAH | 108.1° | 109.4° |
| CAD | CAC | CAB | 117.3° | 118.5° |
| CAC | CAD | CAE | 122.0° | 119.1° |
| CAC | CAD | H8 | 119.0° | 120.4° |
| CAD | CAC | H9 | 121.3° | 120.8° |
| CAC | CAB | CAA | 123.1° | 119.1° |
| CAB | CAC | H9 | 121.4° | 120.8° |
| CAC | CAB | H10 | 118.4° | 120.4° |
| CAD | CAE | CAG | 115.7° | 119.6° |
| CAD | CAE | NAF | 118.0° | 120.8° |
| CAE | CAD | H8 | 119.0° | 120.4° |
| OAM | PAK | OAL | 111.5° | 109.5° |
| OAM | PAK | CAH | 108.0° | 109.5° |
| PAK | OAM | H2 | 109.5° | 114.0° |
| OAL | PAK | CAH | 105.1° | 109.5° |
| PAK | OAL | H1 | 109.5° | 114.0° |
| PAK | CAH | CAG | 111.7° | 109.5° |
| PAK | CAH | PAI | 108.8° | 109.5° |
| PAK | CAH | H3 | 106.9° | 109.5° |
| OAQ | PAI | CAH | 113.2° | 109.5° |
| OAQ | PAI | OAP | 111.3° | 109.5° |
| OAQ | PAI | OAO | 106.4° | 109.5° |
| CAB | CAA | NAF | 118.0° | 120.8° |
| CAA | CAB | H10 | 118.4° | 120.5° |
| CAB | CAA | H11 | 121.0° | 119.6° |
| CAG | CAE | NAF | 126.3° | 119.6° |
| CAE | CAG | CAH | 121.0° | 109.5° |
| CAE | CAG | H6 | 106.5° | 109.5° |
| CAE | CAG | H7 | 106.5° | 109.5° |
| CAE | NAF | CAA | 121.4° | 121.7° |
| CAE | NAF | CAJ | 121.3° | 119.1° |
| CAG | CAH | PAI | 110.8° | 109.5° |
| CAG | CAH | H3 | 110.9° | 109.4° |
| CAH | CAG | H6 | 106.5° | 109.5° |
| CAH | CAG | H7 | 106.5° | 109.5° |
| CAA | NAF | CAJ | 117.2° | 119.2° |
| NAF | CAA | H11 | 121.0° | 119.6° |
| CAH | PAI | OAP | 113.0° | 109.5° |
| CAH | PAI | OAO | 102.9° | 109.5° |
| PAI | CAH | H3 | 107.6° | 109.5° |
| OAP | PAI | OAO | 109.5° | 109.5° |
| PAI | OAP | H5 | 109.5° | 114.0° |
| PAI | OAO | H4 | 109.5° | 114.0° |
| NAF | CAJ | H12 | 109.5° | 109.5° |
| NAF | CAJ | H13 | 109.5° | 109.4° |
| NAF | CAJ | H14 | 109.4° | 109.5° |
| H6 | CAG | H7 | 109.5° | 109.4° |
| H12 | CAJ | H13 | 109.5° | 109.5° |
| H12 | CAJ | H14 | 109.5° | 109.5° |
| H13 | CAJ | H14 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OAN | PAK | OAM | OAL | 122.3° | 120.0° |
| OAN | PAK | OAM | CAH | 122.8° | 120.0° |
| OAN | PAK | OAL | CAH | 114.1° | 120.0° |
| OAN | PAK | CAH | CAG | 63.4° | 64.7° |
| OAN | PAK | CAH | PAI | 59.2° | 55.3° |
| OAN | PAK | OAL | H1 | 0.0° | 60.0° |
| OAN | PAK | OAM | H2 | 0.0° | 64.9° |
| OAN | PAK | CAH | H3 | 175.1° | 175.3° |
| CAD | CAC | CAB | H9 | 180.0° | 180.0° |
| CAC | CAD | CAE | H8 | 180.0° | 180.0° |
| CAD | CAC | CAB | CAA | 5.0° | 0.0° |
| CAC | CAD | CAE | CAG | 179.1° | 180.0° |
| CAC | CAD | CAE | NAF | 0.2° | 0.2° |
| CAD | CAC | CAB | H10 | 174.9° | 179.9° |
| CAB | CAC | CAD | CAE | 3.7° | 0.0° |
| CAC | CAB | CAA | H10 | 180.0° | 179.9° |
| CAC | CAB | CAA | NAF | 2.9° | 0.3° |
| CAB | CAC | CAD | H8 | 176.4° | 180.0° |
| CAC | CAB | CAA | H11 | 177.1° | 180.0° |
| CAD | CAE | CAG | NAF | 178.8° | 179.7° |
| CAD | CAE | CAG | CAH | 128.0° | 115.6° |
| CAD | CAE | NAF | CAA | 2.1° | 0.6° |
| CAD | CAE | NAF | CAJ | 179.3° | 179.7° |
| CAD | CAE | CAG | H6 | 110.4° | 4.4° |
| CAD | CAE | CAG | H7 | 6.4° | 124.4° |
| CAE | CAD | CAC | H9 | 176.4° | 180.0° |
| OAM | PAK | OAL | CAH | 116.8° | 120.0° |
| OAM | PAK | CAH | CAG | 65.2° | 55.2° |
| OAM | PAK | CAH | PAI | 172.2° | 175.3° |
| OAM | PAK | OAL | H1 | 129.1° | 179.9° |
| OAM | PAK | CAH | H3 | 56.3° | 64.7° |
| OAL | PAK | CAH | CAG | 175.6° | 175.2° |
| OAL | PAK | CAH | PAI | 53.1° | 64.8° |
| OAL | PAK | OAM | H2 | 122.3° | 175.1° |
| OAL | PAK | CAH | H3 | 62.9° | 55.3° |
| PAK | CAH | PAI | OAQ | 57.7° | 60.0° |
| PAK | CAH | CAG | CAE | 50.8° | 174.0° |
| PAK | CAH | CAG | PAI | 121.5° | 120.0° |
| PAK | CAH | CAG | H3 | 119.1° | 120.0° |
| PAK | CAH | PAI | H3 | 115.5° | 120.0° |
| PAK | CAH | PAI | OAP | 70.0° | 180.0° |
| PAK | CAH | PAI | OAO | 172.1° | 60.0° |
| CAH | PAK | OAL | H1 | 114.1° | 60.0° |
| CAH | PAK | OAM | H2 | 122.7° | 55.1° |
| PAK | CAH | CAG | H6 | 172.4° | 66.0° |
| PAK | CAH | CAG | H7 | 70.8° | 54.0° |
| OAQ | PAI | CAH | CAG | 65.4° | 60.0° |
| OAQ | PAI | CAH | OAP | 127.7° | 120.0° |
| OAQ | PAI | CAH | OAO | 114.4° | 120.0° |
| OAQ | PAI | OAP | OAO | 117.3° | 120.0° |
| OAQ | PAI | CAH | H3 | 173.2° | 180.0° |
| OAQ | PAI | OAO | H4 | 0.0° | 60.0° |
| OAQ | PAI | OAP | H5 | 0.0° | 180.0° |
| CAB | CAA | NAF | CAE | 0.8° | 0.6° |
| CAB | CAA | NAF | H11 | 180.0° | 179.7° |
| CAB | CAA | NAF | CAJ | 178.2° | 179.7° |
| CAA | CAB | CAC | H9 | 175.0° | 180.0° |
| CAE | CAG | CAH | H6 | 121.6° | 120.0° |
| CAE | CAG | CAH | H7 | 121.6° | 120.0° |
| CAG | CAE | NAF | CAA | 176.7° | 179.7° |
| CAE | CAG | CAH | PAI | 172.3° | 66.0° |
| CAG | CAE | NAF | CAJ | 0.5° | 0.0° |
| CAE | CAG | CAH | H3 | 68.3° | 54.1° |
| CAE | CAG | H6 | H7 | 114.8° | 120.0° |
| CAG | CAE | CAD | H8 | 0.9° | 0.0° |
| NAF | CAE | CAG | CAH | 50.8° | 64.7° |
| CAE | NAF | CAA | CAJ | 177.3° | 179.7° |
| NAF | CAE | CAG | H6 | 70.8° | 175.3° |
| NAF | CAE | CAG | H7 | 172.4° | 55.4° |
| NAF | CAE | CAD | H8 | 179.8° | 179.7° |
| CAE | NAF | CAA | H11 | 179.2° | 179.7° |
| CAE | NAF | CAJ | H12 | 180.0° | 94.4° |
| CAE | NAF | CAJ | H13 | 60.0° | 145.6° |
| CAE | NAF | CAJ | H14 | 60.0° | 25.6° |
| CAG | CAH | PAI | H3 | 121.4° | 120.0° |
| CAG | CAH | PAI | OAP | 166.9° | 60.0° |
| CAG | CAH | PAI | OAO | 49.0° | 180.0° |
| CAH | CAG | H6 | H7 | 114.8° | 120.0° |
| NAF | CAA | CAB | H10 | 177.1° | 179.8° |
| CAA | NAF | CAJ | H12 | 2.7° | 85.3° |
| CAA | NAF | CAJ | H13 | 122.7° | 34.7° |
| CAA | NAF | CAJ | H14 | 117.4° | 154.7° |
| CAH | PAI | OAP | OAO | 114.0° | 120.0° |
| CAH | PAI | OAO | H4 | 119.2° | 180.0° |
| CAH | PAI | OAP | H5 | 128.7° | 60.0° |
| PAI | CAH | CAG | H6 | 66.1° | 54.1° |
| PAI | CAH | CAG | H7 | 50.6° | 174.0° |
| OAP | PAI | CAH | H3 | 45.5° | 60.0° |
| OAP | PAI | OAO | H4 | 120.4° | 60.0° |
| OAO | PAI | CAH | H3 | 72.4° | 60.0° |
| OAO | PAI | OAP | H5 | 117.3° | 60.0° |
| CAJ | NAF | CAA | H11 | 1.8° | 0.0° |
| NAF | CAJ | H12 | H13 | 120.0° | 120.0° |
| NAF | CAJ | H12 | H14 | 120.0° | 120.0° |
| NAF | CAJ | H13 | H14 | 120.0° | 120.0° |
| H3 | CAH | CAG | H6 | 53.3° | 174.1° |
| H3 | CAH | CAG | H7 | 170.0° | 66.0° |
| H8 | CAD | CAC | H9 | 3.6° | 0.0° |
| H9 | CAC | CAB | H10 | 5.1° | 0.0° |
| H10 | CAB | CAA | H11 | 2.9° | 0.1° |
| H12 | CAJ | H13 | H14 | 120.0° | 120.1° |
