0OK
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAB | CAC | doub | 1.38Å | 1.40Å | Aromatic |
| CAB | CAD | sing | 1.38Å | 1.39Å | Aromatic |
| CAC | CAG | sing | 1.38Å | 1.40Å | Aromatic |
| CAD | CAH | doub | 1.38Å | 1.40Å | Aromatic |
| CAG | CAM | doub | 1.39Å | 1.40Å | Aromatic |
| CAH | CAM | sing | 1.39Å | 1.40Å | Aromatic |
| CAM | NAQ | sing | 1.40Å | 1.42Å | |
| NAQ | CAK | sing | 1.36Å | 1.41Å | |
| NAQ | CAN | sing | 1.35Å | 1.42Å | |
| CAK | NAL | doub | 1.30Å | 1.33Å | |
| OAA | CAN | doub | 1.22Å | 1.23Å | |
| CAN | CAP | sing | 1.47Å | 1.40Å | |
| NAL | CAO | sing | 1.36Å | 1.35Å | |
| CAP | CAO | doub | 1.41Å | 1.40Å | Aromatic |
| CAP | CAJ | sing | 1.39Å | 1.40Å | Aromatic |
| CAO | CAI | sing | 1.40Å | 1.40Å | Aromatic |
| CAJ | CAF | doub | 1.38Å | 1.40Å | Aromatic |
| CAI | CAE | doub | 1.38Å | 1.40Å | Aromatic |
| CAF | CAE | sing | 1.39Å | 1.39Å | Aromatic |
| CAG | H1 | sing | 1.08Å | 1.08Å | |
| CAC | H2 | sing | 1.08Å | 1.08Å | |
| CAB | H3 | sing | 1.08Å | 1.08Å | |
| CAD | H4 | sing | 1.08Å | 1.08Å | |
| CAH | H5 | sing | 1.08Å | 1.08Å | |
| CAK | H6 | sing | 1.08Å | 1.08Å | |
| CAI | H7 | sing | 1.08Å | 1.08Å | |
| CAE | H8 | sing | 1.08Å | 1.08Å | |
| CAF | H9 | sing | 1.08Å | 1.08Å | |
| CAJ | H10 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAC | CAB | CAD | 120.1° | 120.1° |
| CAB | CAC | CAG | 120.4° | 120.1° |
| CAB | CAC | H2 | 119.8° | 120.0° |
| CAC | CAB | H3 | 119.9° | 119.9° |
| CAB | CAD | CAH | 119.7° | 120.1° |
| CAD | CAB | H3 | 119.9° | 120.0° |
| CAB | CAD | H4 | 120.1° | 119.9° |
| CAC | CAG | CAM | 119.6° | 119.9° |
| CAC | CAG | H1 | 120.2° | 120.1° |
| CAG | CAC | H2 | 119.8° | 119.9° |
| CAD | CAH | CAM | 120.3° | 119.9° |
| CAH | CAD | H4 | 120.2° | 120.0° |
| CAD | CAH | H5 | 119.9° | 120.0° |
| CAG | CAM | CAH | 119.9° | 119.9° |
| CAG | CAM | NAQ | 121.8° | 120.0° |
| CAM | CAG | H1 | 120.2° | 120.0° |
| CAH | CAM | NAQ | 118.2° | 120.1° |
| CAM | CAH | H5 | 119.9° | 120.0° |
| CAM | NAQ | CAK | 122.0° | 119.7° |
| CAM | NAQ | CAN | 119.3° | 119.7° |
| CAK | NAQ | CAN | 118.7° | 120.6° |
| NAQ | CAK | NAL | 120.3° | 123.3° |
| NAQ | CAK | H6 | 119.9° | 118.4° |
| NAQ | CAN | OAA | 119.7° | 121.3° |
| NAQ | CAN | CAP | 119.2° | 117.4° |
| CAK | NAL | CAO | 122.4° | 121.6° |
| NAL | CAK | H6 | 119.9° | 118.3° |
| OAA | CAN | CAP | 121.0° | 121.3° |
| CAN | CAP | CAO | 118.9° | 118.0° |
| CAN | CAP | CAJ | 121.3° | 122.0° |
| NAL | CAO | CAP | 120.6° | 119.0° |
| NAL | CAO | CAI | 120.0° | 121.6° |
| CAO | CAP | CAJ | 119.8° | 120.0° |
| CAP | CAO | CAI | 119.4° | 119.3° |
| CAP | CAJ | CAF | 120.5° | 119.6° |
| CAP | CAJ | H10 | 119.8° | 120.2° |
| CAO | CAI | CAE | 120.5° | 119.7° |
| CAO | CAI | H7 | 119.8° | 120.2° |
| CAJ | CAF | CAE | 119.6° | 120.5° |
| CAJ | CAF | H9 | 120.2° | 119.8° |
| CAF | CAJ | H10 | 119.8° | 120.2° |
| CAI | CAE | CAF | 120.3° | 120.8° |
| CAE | CAI | H7 | 119.8° | 120.1° |
| CAI | CAE | H8 | 119.9° | 119.6° |
| CAF | CAE | H8 | 119.9° | 119.6° |
| CAE | CAF | H9 | 120.2° | 119.7° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAC | CAB | CAD | H3 | 180.0° | 179.9° |
| CAB | CAC | CAG | H2 | 180.0° | 180.0° |
| CAC | CAB | CAD | CAH | 0.1° | 0.0° |
| CAB | CAC | CAG | CAM | 0.1° | 0.0° |
| CAB | CAC | CAG | H1 | 179.9° | 179.8° |
| CAC | CAB | CAD | H4 | 179.9° | 180.0° |
| CAD | CAB | CAC | CAG | 0.0° | 0.0° |
| CAB | CAD | CAH | H4 | 180.0° | 180.0° |
| CAB | CAD | CAH | CAM | 0.3° | 0.0° |
| CAD | CAB | CAC | H2 | 180.0° | 180.0° |
| CAB | CAD | CAH | H5 | 179.7° | 180.0° |
| CAC | CAG | CAM | H1 | 180.0° | 179.8° |
| CAC | CAG | CAM | CAH | 0.3° | 0.0° |
| CAC | CAG | CAM | NAQ | 179.0° | 179.8° |
| CAG | CAC | CAB | H3 | 180.0° | 180.0° |
| CAD | CAH | CAM | CAG | 0.4° | 0.0° |
| CAD | CAH | CAM | H5 | 180.0° | 180.0° |
| CAD | CAH | CAM | NAQ | 179.1° | 179.7° |
| CAH | CAD | CAB | H3 | 179.9° | 179.9° |
| CAG | CAM | CAH | NAQ | 178.7° | 179.8° |
| CAG | CAM | NAQ | CAK | 98.1° | 112.5° |
| CAG | CAM | NAQ | CAN | 82.8° | 67.8° |
| CAM | CAG | CAC | H2 | 179.9° | 180.0° |
| CAG | CAM | CAH | H5 | 179.6° | 180.0° |
| CAH | CAM | NAQ | CAK | 83.3° | 67.7° |
| CAH | CAM | NAQ | CAN | 95.8° | 112.0° |
| CAH | CAM | CAG | H1 | 179.7° | 179.8° |
| CAM | CAH | CAD | H4 | 179.8° | 179.9° |
| CAM | NAQ | CAK | CAN | 179.1° | 179.7° |
| CAM | NAQ | CAK | NAL | 179.0° | 180.0° |
| CAM | NAQ | CAN | OAA | 1.4° | 0.0° |
| CAM | NAQ | CAN | CAP | 179.0° | 179.8° |
| NAQ | CAM | CAG | H1 | 1.0° | 0.0° |
| NAQ | CAM | CAH | H5 | 0.9° | 0.2° |
| CAM | NAQ | CAK | H6 | 1.1° | 0.0° |
| NAQ | CAK | NAL | H6 | 180.0° | 180.0° |
| CAK | NAQ | CAN | OAA | 179.4° | 179.7° |
| CAK | NAQ | CAN | CAP | 0.1° | 0.5° |
| NAQ | CAK | NAL | CAO | 0.0° | 0.0° |
| CAN | NAQ | CAK | NAL | 0.2° | 0.3° |
| NAQ | CAN | OAA | CAP | 179.6° | 179.8° |
| NAQ | CAN | CAP | CAO | 0.1° | 0.4° |
| NAQ | CAN | CAP | CAJ | 179.8° | 179.7° |
| CAN | NAQ | CAK | H6 | 179.8° | 179.7° |
| CAK | NAL | CAO | CAP | 0.3° | 0.0° |
| CAK | NAL | CAO | CAI | 179.8° | 180.0° |
| OAA | CAN | CAP | CAO | 179.6° | 179.7° |
| OAA | CAN | CAP | CAJ | 0.2° | 0.1° |
| CAN | CAP | CAO | NAL | 0.3° | 0.2° |
| CAN | CAP | CAO | CAJ | 179.9° | 179.8° |
| CAN | CAP | CAO | CAI | 179.8° | 179.8° |
| CAN | CAP | CAJ | CAF | 179.9° | 179.8° |
| CAN | CAP | CAJ | H10 | 0.1° | 0.3° |
| NAL | CAO | CAP | CAI | 179.5° | 180.0° |
| NAL | CAO | CAP | CAJ | 179.6° | 179.9° |
| NAL | CAO | CAI | CAE | 179.6° | 180.0° |
| CAO | NAL | CAK | H6 | 180.0° | 179.9° |
| NAL | CAO | CAI | H7 | 0.4° | 0.0° |
| CAO | CAP | CAJ | CAF | 0.3° | 0.0° |
| CAP | CAO | CAI | CAE | 0.1° | 0.0° |
| CAP | CAO | CAI | H7 | 179.9° | 180.0° |
| CAO | CAP | CAJ | H10 | 179.7° | 179.9° |
| CAJ | CAP | CAO | CAI | 0.1° | 0.0° |
| CAP | CAJ | CAF | H10 | 180.0° | 180.0° |
| CAP | CAJ | CAF | CAE | 0.6° | 0.0° |
| CAP | CAJ | CAF | H9 | 179.4° | 180.0° |
| CAO | CAI | CAE | H7 | 180.0° | 180.0° |
| CAO | CAI | CAE | CAF | 0.2° | 0.0° |
| CAO | CAI | CAE | H8 | 179.8° | 180.0° |
| CAJ | CAF | CAE | CAI | 0.6° | 0.0° |
| CAJ | CAF | CAE | H9 | 180.0° | 180.0° |
| CAJ | CAF | CAE | H8 | 179.4° | 180.0° |
| CAI | CAE | CAF | H8 | 180.0° | 180.0° |
| CAI | CAE | CAF | H9 | 179.4° | 180.0° |
| CAF | CAE | CAI | H7 | 179.7° | 180.0° |
| CAE | CAF | CAJ | H10 | 179.4° | 179.9° |
| H1 | CAG | CAC | H2 | 0.1° | 0.3° |
| H2 | CAC | CAB | H3 | 0.0° | 0.0° |
| H3 | CAB | CAD | H4 | 0.0° | 0.1° |
| H4 | CAD | CAH | H5 | 0.3° | 0.0° |
| H7 | CAI | CAE | H8 | 0.2° | 0.0° |
| H8 | CAE | CAF | H9 | 0.6° | 0.0° |
| H9 | CAF | CAJ | H10 | 0.6° | 0.1° |
