9CE
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAD | CAC | doub | 1.38Å | 1.38Å | Aromatic |
| CAD | CAE | sing | 1.38Å | 1.38Å | Aromatic |
| CAC | CAB | sing | 1.39Å | 1.40Å | Aromatic |
| CAE | CAF | doub | 1.38Å | 1.40Å | Aromatic |
| CAB | NAA | sing | 1.39Å | 1.34Å | |
| CAB | CAG | doub | 1.40Å | 1.41Å | Aromatic |
| CAF | CAG | sing | 1.40Å | 1.41Å | Aromatic |
| CAG | CAH | sing | 1.48Å | 1.42Å | |
| CAH | NAI | doub | 1.31Å | 1.35Å | |
| CAH | NAR | sing | 1.37Å | 1.41Å | |
| NAI | CAJ | sing | 1.35Å | 1.36Å | |
| NAR | CAP | sing | 1.35Å | 1.38Å | |
| CAJ | CAO | doub | 1.40Å | 1.39Å | Aromatic |
| CAJ | CAK | sing | 1.41Å | 1.40Å | Aromatic |
| CAO | CAN | sing | 1.38Å | 1.39Å | Aromatic |
| CAP | CAK | sing | 1.47Å | 1.40Å | |
| CAP | OAQ | doub | 1.22Å | 1.23Å | |
| CAK | CAL | doub | 1.39Å | 1.40Å | Aromatic |
| CAN | CAM | doub | 1.39Å | 1.40Å | Aromatic |
| CAL | CAM | sing | 1.38Å | 1.40Å | Aromatic |
| NAR | H1 | sing | 0.97Å | 1.00Å | |
| CAL | H2 | sing | 1.08Å | 1.08Å | |
| CAM | H3 | sing | 1.08Å | 1.08Å | |
| CAN | H4 | sing | 1.08Å | 1.08Å | |
| CAO | H5 | sing | 1.08Å | 1.08Å | |
| CAF | H6 | sing | 1.08Å | 1.08Å | |
| CAE | H7 | sing | 1.08Å | 1.08Å | |
| CAD | H8 | sing | 1.08Å | 1.08Å | |
| CAC | H9 | sing | 1.08Å | 1.08Å | |
| NAA | H10 | sing | 0.97Å | 1.00Å | |
| NAA | H11 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAC | CAD | CAE | 119.4° | 120.5° |
| CAD | CAC | CAB | 120.9° | 120.1° |
| CAC | CAD | H8 | 120.3° | 119.7° |
| CAD | CAC | H9 | 119.5° | 120.0° |
| CAD | CAE | CAF | 120.1° | 120.3° |
| CAD | CAE | H7 | 120.0° | 119.9° |
| CAE | CAD | H8 | 120.3° | 119.8° |
| CAC | CAB | NAA | 118.6° | 120.2° |
| CAC | CAB | CAG | 121.1° | 119.6° |
| CAB | CAC | H9 | 119.5° | 119.9° |
| CAE | CAF | CAG | 122.4° | 119.9° |
| CAE | CAF | H6 | 118.8° | 120.0° |
| CAF | CAE | H7 | 120.0° | 119.8° |
| NAA | CAB | CAG | 120.2° | 120.1° |
| CAB | NAA | H10 | 109.5° | 120.0° |
| CAB | NAA | H11 | 109.4° | 120.1° |
| CAB | CAG | CAF | 116.0° | 119.6° |
| CAB | CAG | CAH | 124.2° | 120.2° |
| CAF | CAG | CAH | 119.5° | 120.2° |
| CAG | CAF | H6 | 118.8° | 120.1° |
| CAG | CAH | NAI | 120.7° | 118.5° |
| CAG | CAH | NAR | 121.2° | 118.5° |
| NAI | CAH | NAR | 117.9° | 123.0° |
| CAH | NAI | CAJ | 121.3° | 121.7° |
| CAH | NAR | CAP | 122.3° | 120.4° |
| CAH | NAR | H1 | 118.9° | 119.8° |
| NAI | CAJ | CAO | 118.1° | 121.5° |
| NAI | CAJ | CAK | 122.0° | 119.2° |
| NAR | CAP | CAK | 118.4° | 117.5° |
| NAR | CAP | OAQ | 117.6° | 121.2° |
| CAP | NAR | H1 | 118.9° | 119.8° |
| CAO | CAJ | CAK | 119.8° | 119.3° |
| CAJ | CAO | CAN | 120.1° | 119.7° |
| CAJ | CAO | H5 | 120.0° | 120.1° |
| CAJ | CAK | CAP | 118.0° | 118.2° |
| CAJ | CAK | CAL | 119.9° | 120.0° |
| CAO | CAN | CAM | 120.5° | 120.9° |
| CAO | CAN | H4 | 119.7° | 119.6° |
| CAN | CAO | H5 | 119.9° | 120.2° |
| CAK | CAP | OAQ | 124.0° | 121.2° |
| CAP | CAK | CAL | 122.1° | 121.8° |
| CAK | CAL | CAM | 120.0° | 119.5° |
| CAK | CAL | H2 | 120.0° | 120.2° |
| CAN | CAM | CAL | 119.6° | 120.6° |
| CAN | CAM | H3 | 120.2° | 119.7° |
| CAM | CAN | H4 | 119.7° | 119.6° |
| CAM | CAL | H2 | 120.0° | 120.3° |
| CAL | CAM | H3 | 120.2° | 119.7° |
| H10 | NAA | H11 | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAC | CAD | CAE | H8 | 180.0° | 179.7° |
| CAD | CAC | CAB | H9 | 180.0° | 179.8° |
| CAC | CAD | CAE | CAF | 0.4° | 0.0° |
| CAD | CAC | CAB | NAA | 178.7° | 180.0° |
| CAD | CAC | CAB | CAG | 1.4° | 0.5° |
| CAC | CAD | CAE | H7 | 179.6° | 180.0° |
| CAE | CAD | CAC | CAB | 0.5° | 0.2° |
| CAD | CAE | CAF | H7 | 180.0° | 180.0° |
| CAD | CAE | CAF | CAG | 1.6° | 0.0° |
| CAD | CAE | CAF | H6 | 178.4° | 180.0° |
| CAE | CAD | CAC | H9 | 179.5° | 179.9° |
| CAC | CAB | NAA | CAG | 177.3° | 179.4° |
| CAC | CAB | CAG | CAF | 3.2° | 0.6° |
| CAC | CAB | CAG | CAH | 176.6° | 179.8° |
| CAB | CAC | CAD | H8 | 179.4° | 180.0° |
| CAC | CAB | NAA | H10 | 180.0° | 5.4° |
| CAC | CAB | NAA | H11 | 60.0° | 174.7° |
| CAE | CAF | CAG | CAB | 3.4° | 0.3° |
| CAE | CAF | CAG | H6 | 180.0° | 180.0° |
| CAE | CAF | CAG | CAH | 177.1° | 180.0° |
| CAF | CAE | CAD | H8 | 179.6° | 179.7° |
| NAA | CAB | CAG | CAF | 179.5° | 180.0° |
| NAA | CAB | CAG | CAH | 6.1° | 0.3° |
| NAA | CAB | CAC | H9 | 1.3° | 0.2° |
| CAB | NAA | H10 | H11 | 120.0° | 179.9° |
| CAB | CAG | CAF | CAH | 173.7° | 179.7° |
| CAB | CAG | CAH | NAI | 16.1° | 6.2° |
| CAB | CAG | CAH | NAR | 167.4° | 173.2° |
| CAB | CAG | CAF | H6 | 176.6° | 179.8° |
| CAG | CAB | CAC | H9 | 178.6° | 179.7° |
| CAG | CAB | NAA | H10 | 2.6° | 175.2° |
| CAG | CAB | NAA | H11 | 122.7° | 4.8° |
| CAF | CAG | CAH | NAI | 157.1° | 174.1° |
| CAF | CAG | CAH | NAR | 19.4° | 6.5° |
| CAG | CAF | CAE | H7 | 178.3° | 180.0° |
| CAG | CAH | NAI | NAR | 176.5° | 179.4° |
| CAG | CAH | NAI | CAJ | 177.9° | 179.9° |
| CAG | CAH | NAR | CAP | 177.0° | 180.0° |
| CAG | CAH | NAR | H1 | 3.0° | 0.3° |
| CAH | CAG | CAF | H6 | 2.9° | 0.1° |
| NAI | CAH | NAR | CAP | 0.5° | 0.6° |
| CAH | NAI | CAJ | CAO | 180.0° | 179.7° |
| CAH | NAI | CAJ | CAK | 2.8° | 0.4° |
| NAI | CAH | NAR | H1 | 179.5° | 179.7° |
| NAR | CAH | NAI | CAJ | 1.4° | 0.7° |
| CAH | NAR | CAP | H1 | 180.0° | 179.7° |
| CAH | NAR | CAP | CAK | 1.0° | 0.3° |
| CAH | NAR | CAP | OAQ | 179.1° | 179.7° |
| NAI | CAJ | CAO | CAK | 177.3° | 179.9° |
| NAI | CAJ | CAO | CAN | 179.1° | 179.9° |
| NAI | CAJ | CAK | CAP | 3.2° | 0.1° |
| NAI | CAJ | CAK | CAL | 179.2° | 179.9° |
| NAI | CAJ | CAO | H5 | 0.9° | 0.1° |
| NAR | CAP | CAK | CAJ | 2.3° | 0.0° |
| NAR | CAP | CAK | OAQ | 179.9° | 180.0° |
| NAR | CAP | CAK | CAL | 179.8° | 180.0° |
| CAJ | CAO | CAN | H5 | 180.0° | 179.9° |
| CAO | CAJ | CAK | CAP | 179.6° | 180.0° |
| CAO | CAJ | CAK | CAL | 2.0° | 0.0° |
| CAJ | CAO | CAN | CAM | 1.3° | 0.0° |
| CAJ | CAO | CAN | H4 | 178.7° | 180.0° |
| CAK | CAJ | CAO | CAN | 1.8° | 0.0° |
| CAJ | CAK | CAP | CAL | 177.5° | 180.0° |
| CAJ | CAK | CAP | OAQ | 177.8° | 179.9° |
| CAJ | CAK | CAL | CAM | 1.7° | 0.1° |
| CAJ | CAK | CAL | H2 | 178.3° | 179.9° |
| CAK | CAJ | CAO | H5 | 178.2° | 180.0° |
| CAO | CAN | CAM | H4 | 180.0° | 180.0° |
| CAO | CAN | CAM | CAL | 0.9° | 0.0° |
| CAO | CAN | CAM | H3 | 179.0° | 180.0° |
| CAP | CAK | CAL | CAM | 179.1° | 180.0° |
| CAK | CAP | NAR | H1 | 179.1° | 179.9° |
| CAP | CAK | CAL | H2 | 0.8° | 0.1° |
| OAQ | CAP | CAK | CAL | 0.3° | 0.0° |
| OAQ | CAP | NAR | H1 | 0.9° | 0.0° |
| CAK | CAL | CAM | CAN | 1.1° | 0.0° |
| CAK | CAL | CAM | H2 | 180.0° | 179.9° |
| CAK | CAL | CAM | H3 | 178.9° | 180.0° |
| CAN | CAM | CAL | H3 | 180.0° | 180.0° |
| CAN | CAM | CAL | H2 | 178.8° | 179.9° |
| CAM | CAN | CAO | H5 | 178.7° | 180.0° |
| CAL | CAM | CAN | H4 | 179.1° | 180.0° |
| H2 | CAL | CAM | H3 | 1.2° | 0.1° |
| H3 | CAM | CAN | H4 | 1.0° | 0.0° |
| H4 | CAN | CAO | H5 | 1.3° | 0.0° |
| H6 | CAF | CAE | H7 | 1.7° | 0.0° |
| H7 | CAE | CAD | H8 | 0.4° | 0.3° |
| H8 | CAD | CAC | H9 | 0.5° | 0.2° |
