97H
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAM | CAL | doub | 1.38Å | 1.39Å | Aromatic |
| CAM | CAN | sing | 1.39Å | 1.40Å | Aromatic |
| CAL | CAK | sing | 1.39Å | 1.40Å | Aromatic |
| CAN | CAO | doub | 1.37Å | 1.38Å | Aromatic |
| OAQ | CAP | doub | 1.22Å | 1.23Å | |
| CAK | CAP | sing | 1.47Å | 1.40Å | |
| CAK | CAJ | doub | 1.41Å | 1.39Å | Aromatic |
| CAP | NAR | sing | 1.35Å | 1.38Å | |
| CAO | CAJ | sing | 1.40Å | 1.39Å | Aromatic |
| CAJ | NAI | sing | 1.35Å | 1.35Å | |
| NAR | CAH | sing | 1.37Å | 1.39Å | |
| NAI | CAH | doub | 1.31Å | 1.33Å | |
| CAH | CAF | sing | 1.48Å | 1.39Å | |
| CAF | CAE | doub | 1.40Å | 1.39Å | Aromatic |
| CAF | CAG | sing | 1.39Å | 1.39Å | Aromatic |
| CAE | CAD | sing | 1.38Å | 1.39Å | Aromatic |
| CAG | CAB | doub | 1.39Å | 1.39Å | Aromatic |
| CAD | CAC | doub | 1.38Å | 1.38Å | Aromatic |
| CAB | CAC | sing | 1.39Å | 1.38Å | Aromatic |
| CAB | NAA | sing | 1.40Å | 1.32Å | |
| CAG | H1 | sing | 1.08Å | 1.08Å | |
| NAA | H2 | sing | 0.97Å | 1.00Å | |
| NAA | H3 | sing | 0.97Å | 1.00Å | |
| CAC | H4 | sing | 1.08Å | 1.08Å | |
| CAD | H5 | sing | 1.08Å | 1.08Å | |
| CAE | H6 | sing | 1.08Å | 1.08Å | |
| CAO | H7 | sing | 1.08Å | 1.08Å | |
| CAN | H8 | sing | 1.08Å | 1.08Å | |
| CAM | H9 | sing | 1.08Å | 1.08Å | |
| CAL | H10 | sing | 1.08Å | 1.08Å | |
| NAR | H11 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAL | CAM | CAN | 119.4° | 120.5° |
| CAM | CAL | CAK | 120.4° | 119.4° |
| CAL | CAM | H9 | 120.3° | 119.7° |
| CAM | CAL | H10 | 119.8° | 120.3° |
| CAM | CAN | CAO | 120.2° | 121.0° |
| CAM | CAN | H8 | 119.9° | 119.5° |
| CAN | CAM | H9 | 120.3° | 119.7° |
| CAL | CAK | CAP | 121.9° | 121.8° |
| CAL | CAK | CAJ | 119.5° | 119.9° |
| CAK | CAL | H10 | 119.8° | 120.3° |
| CAN | CAO | CAJ | 120.4° | 119.8° |
| CAN | CAO | H7 | 119.8° | 120.2° |
| CAO | CAN | H8 | 119.9° | 119.5° |
| OAQ | CAP | CAK | 123.9° | 121.3° |
| OAQ | CAP | NAR | 118.5° | 121.3° |
| CAP | CAK | CAJ | 118.6° | 118.2° |
| CAK | CAP | NAR | 117.6° | 117.4° |
| CAK | CAJ | CAO | 120.2° | 119.3° |
| CAK | CAJ | NAI | 121.9° | 119.2° |
| CAP | NAR | CAH | 121.6° | 120.4° |
| CAP | NAR | H11 | 119.2° | 119.8° |
| CAO | CAJ | NAI | 117.9° | 121.5° |
| CAJ | CAO | H7 | 119.8° | 120.0° |
| CAJ | NAI | CAH | 120.5° | 121.7° |
| NAR | CAH | NAI | 119.8° | 123.1° |
| NAR | CAH | CAF | 118.9° | 118.5° |
| CAH | NAR | H11 | 119.2° | 119.8° |
| NAI | CAH | CAF | 121.1° | 118.5° |
| CAH | CAF | CAE | 117.3° | 120.1° |
| CAH | CAF | CAG | 122.9° | 120.1° |
| CAE | CAF | CAG | 119.4° | 119.8° |
| CAF | CAE | CAD | 120.5° | 120.0° |
| CAF | CAE | H6 | 119.7° | 120.0° |
| CAF | CAG | CAB | 119.3° | 119.7° |
| CAF | CAG | H1 | 120.3° | 120.1° |
| CAE | CAD | CAC | 120.0° | 120.2° |
| CAE | CAD | H5 | 120.0° | 119.9° |
| CAD | CAE | H6 | 119.7° | 120.0° |
| CAG | CAB | CAC | 121.4° | 120.0° |
| CAG | CAB | NAA | 119.9° | 120.0° |
| CAB | CAG | H1 | 120.4° | 120.2° |
| CAD | CAC | CAB | 119.2° | 120.2° |
| CAD | CAC | H4 | 120.4° | 119.9° |
| CAC | CAD | H5 | 120.0° | 119.9° |
| CAC | CAB | NAA | 118.6° | 120.0° |
| CAB | CAC | H4 | 120.4° | 119.9° |
| CAB | NAA | H2 | 109.5° | 120.0° |
| CAB | NAA | H3 | 109.5° | 120.0° |
| H2 | NAA | H3 | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAL | CAM | CAN | H9 | 180.0° | 180.0° |
| CAM | CAL | CAK | H10 | 180.0° | 180.0° |
| CAL | CAM | CAN | CAO | 0.8° | 0.0° |
| CAM | CAL | CAK | CAP | 179.1° | 180.0° |
| CAM | CAL | CAK | CAJ | 0.5° | 0.0° |
| CAL | CAM | CAN | H8 | 179.2° | 179.9° |
| CAN | CAM | CAL | CAK | 0.9° | 0.0° |
| CAM | CAN | CAO | H8 | 180.0° | 179.9° |
| CAM | CAN | CAO | CAJ | 0.2° | 0.0° |
| CAM | CAN | CAO | H7 | 179.8° | 180.0° |
| CAN | CAM | CAL | H10 | 179.1° | 180.0° |
| CAL | CAK | CAP | OAQ | 0.8° | 0.0° |
| CAL | CAK | CAP | CAJ | 178.7° | 180.0° |
| CAL | CAK | CAP | NAR | 178.8° | 179.8° |
| CAL | CAK | CAJ | CAO | 0.1° | 0.0° |
| CAL | CAK | CAJ | NAI | 178.4° | 180.0° |
| CAK | CAL | CAM | H9 | 179.1° | 180.0° |
| CAN | CAO | CAJ | CAK | 0.3° | 0.0° |
| CAN | CAO | CAJ | H7 | 180.0° | 180.0° |
| CAN | CAO | CAJ | NAI | 178.3° | 180.0° |
| CAO | CAN | CAM | H9 | 179.2° | 180.0° |
| OAQ | CAP | CAK | NAR | 178.0° | 179.8° |
| OAQ | CAP | CAK | CAJ | 179.4° | 179.9° |
| OAQ | CAP | NAR | CAH | 179.6° | 179.8° |
| OAQ | CAP | NAR | H11 | 0.4° | 0.2° |
| CAP | CAK | CAJ | CAO | 178.6° | 180.0° |
| CAP | CAK | CAJ | NAI | 2.9° | 0.0° |
| CAK | CAP | NAR | CAH | 2.2° | 0.4° |
| CAP | CAK | CAL | H10 | 0.9° | 0.1° |
| CAK | CAP | NAR | H11 | 177.7° | 180.0° |
| CAJ | CAK | CAP | NAR | 2.5° | 0.2° |
| CAK | CAJ | CAO | NAI | 178.6° | 180.0° |
| CAK | CAJ | NAI | CAH | 2.9° | 0.1° |
| CAK | CAJ | CAO | H7 | 179.7° | 180.0° |
| CAJ | CAK | CAL | H10 | 179.5° | 180.0° |
| CAP | NAR | CAH | H11 | 180.0° | 179.6° |
| CAP | NAR | CAH | NAI | 2.2° | 0.5° |
| CAP | NAR | CAH | CAF | 177.5° | 179.8° |
| CAO | CAJ | NAI | CAH | 178.6° | 180.0° |
| CAJ | CAO | CAN | H8 | 179.8° | 179.9° |
| CAJ | NAI | CAH | NAR | 2.4° | 0.3° |
| CAJ | NAI | CAH | CAF | 177.7° | 180.0° |
| NAI | CAJ | CAO | H7 | 1.7° | 0.0° |
| NAR | CAH | NAI | CAF | 175.3° | 179.6° |
| NAR | CAH | CAF | CAE | 18.1° | 0.3° |
| NAR | CAH | CAF | CAG | 168.3° | 179.1° |
| NAI | CAH | CAF | CAE | 157.2° | 180.0° |
| NAI | CAH | CAF | CAG | 16.4° | 0.5° |
| NAI | CAH | NAR | H11 | 177.8° | 179.8° |
| CAH | CAF | CAE | CAG | 173.9° | 179.5° |
| CAH | CAF | CAE | CAD | 177.2° | 180.0° |
| CAH | CAF | CAG | CAB | 176.7° | 180.0° |
| CAH | CAF | CAG | H1 | 3.3° | 0.3° |
| CAH | CAF | CAE | H6 | 2.8° | 0.2° |
| CAF | CAH | NAR | H11 | 2.4° | 0.2° |
| CAF | CAE | CAD | H6 | 180.0° | 179.8° |
| CAE | CAF | CAG | CAB | 3.2° | 0.5° |
| CAF | CAE | CAD | CAC | 2.1° | 0.2° |
| CAE | CAF | CAG | H1 | 176.8° | 179.8° |
| CAF | CAE | CAD | H5 | 177.9° | 179.7° |
| CAG | CAF | CAE | CAD | 3.3° | 0.5° |
| CAF | CAG | CAB | H1 | 180.0° | 179.7° |
| CAF | CAG | CAB | CAC | 1.9° | 0.2° |
| CAF | CAG | CAB | NAA | 179.2° | 179.7° |
| CAG | CAF | CAE | H6 | 176.7° | 179.7° |
| CAE | CAD | CAC | H5 | 180.0° | 179.9° |
| CAE | CAD | CAC | CAB | 0.7° | 0.0° |
| CAE | CAD | CAC | H4 | 179.3° | 180.0° |
| CAG | CAB | CAC | CAD | 0.6° | 0.0° |
| CAG | CAB | CAC | NAA | 179.0° | 180.0° |
| CAG | CAB | NAA | H2 | 180.0° | 0.0° |
| CAG | CAB | NAA | H3 | 60.0° | 180.0° |
| CAG | CAB | CAC | H4 | 179.4° | 180.0° |
| CAD | CAC | CAB | H4 | 180.0° | 179.9° |
| CAD | CAC | CAB | NAA | 179.6° | 180.0° |
| CAC | CAD | CAE | H6 | 177.9° | 180.0° |
| CAC | CAB | CAG | H1 | 178.2° | 180.0° |
| CAC | CAB | NAA | H2 | 1.0° | 179.9° |
| CAC | CAB | NAA | H3 | 121.1° | 0.0° |
| CAB | CAC | CAD | H5 | 179.3° | 180.0° |
| NAA | CAB | CAG | H1 | 0.8° | 0.0° |
| CAB | NAA | H2 | H3 | 120.0° | 179.9° |
| NAA | CAB | CAC | H4 | 0.4° | 0.1° |
| H4 | CAC | CAD | H5 | 0.7° | 0.1° |
| H5 | CAD | CAE | H6 | 2.1° | 0.1° |
| H7 | CAO | CAN | H8 | 0.2° | 0.1° |
| H8 | CAN | CAM | H9 | 0.8° | 0.0° |
| H9 | CAM | CAL | H10 | 1.0° | 0.0° |
