0UL
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAB | CAD | doub | 1.38Å | 1.40Å | Aromatic |
| CAB | CAC | sing | 1.38Å | 1.39Å | Aromatic |
| CAD | CAF | sing | 1.38Å | 1.40Å | Aromatic |
| CAC | CAE | doub | 1.38Å | 1.40Å | Aromatic |
| CAF | CAM | doub | 1.39Å | 1.40Å | Aromatic |
| CAE | CAM | sing | 1.39Å | 1.40Å | Aromatic |
| CAM | CAN | sing | 1.48Å | 1.42Å | |
| CAN | NAI | sing | 1.34Å | 1.36Å | Aromatic |
| CAN | CAH | doub | 1.36Å | 1.40Å | Aromatic |
| NAI | CAG | doub | 1.31Å | 1.42Å | Aromatic |
| CAH | NAP | sing | 1.36Å | 1.40Å | Aromatic |
| CAG | CAO | sing | 1.41Å | 1.34Å | Aromatic |
| NAP | CAO | sing | 1.37Å | 1.35Å | Aromatic |
| NAP | NAK | sing | 1.40Å | 1.33Å | Aromatic |
| CAO | NAJ | doub | 1.33Å | 1.33Å | Aromatic |
| NAK | CAL | doub | 1.32Å | 1.34Å | Aromatic |
| NAJ | CAL | sing | 1.33Å | 1.33Å | Aromatic |
| CAL | NAA | sing | 1.39Å | 1.33Å | |
| CAE | 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 | |
| CAF | H5 | sing | 1.08Å | 1.08Å | |
| CAG | H6 | sing | 1.08Å | 1.08Å | |
| NAA | H7 | sing | 0.97Å | 1.00Å | |
| NAA | H8 | sing | 0.97Å | 1.00Å | |
| CAH | H9 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAD | CAB | CAC | 119.0° | 120.2° |
| CAB | CAD | CAF | 121.3° | 120.2° |
| CAD | CAB | H3 | 120.5° | 119.9° |
| CAB | CAD | H4 | 119.4° | 119.9° |
| CAB | CAC | CAE | 120.0° | 120.1° |
| CAB | CAC | H2 | 120.0° | 119.9° |
| CAC | CAB | H3 | 120.5° | 119.9° |
| CAD | CAF | CAM | 120.3° | 119.8° |
| CAF | CAD | H4 | 119.4° | 119.9° |
| CAD | CAF | H5 | 119.9° | 120.1° |
| CAC | CAE | CAM | 121.7° | 119.9° |
| CAC | CAE | H1 | 119.2° | 120.0° |
| CAE | CAC | H2 | 120.0° | 120.0° |
| CAF | CAM | CAE | 117.9° | 119.8° |
| CAF | CAM | CAN | 120.6° | 120.1° |
| CAM | CAF | H5 | 119.9° | 120.1° |
| CAE | CAM | CAN | 121.5° | 120.1° |
| CAM | CAE | H1 | 119.2° | 120.1° |
| CAM | CAN | NAI | 121.0° | 119.6° |
| CAM | CAN | CAH | 120.9° | 119.6° |
| NAI | CAN | CAH | 118.1° | 120.9° |
| CAN | NAI | CAG | 122.2° | 121.2° |
| CAN | CAH | NAP | 118.0° | 119.7° |
| CAN | CAH | H9 | 121.0° | 120.2° |
| NAI | CAG | CAO | 118.9° | 119.8° |
| NAI | CAG | H6 | 120.5° | 120.1° |
| CAH | NAP | CAO | 123.1° | 119.5° |
| CAH | NAP | NAK | 127.7° | 134.2° |
| NAP | CAH | H9 | 121.0° | 120.2° |
| CAG | CAO | NAP | 119.7° | 119.0° |
| CAG | CAO | NAJ | 132.2° | 133.5° |
| CAO | CAG | H6 | 120.5° | 120.1° |
| CAO | NAP | NAK | 109.2° | 106.4° |
| NAP | CAO | NAJ | 108.1° | 107.5° |
| NAP | NAK | CAL | 105.7° | 107.0° |
| CAO | NAJ | CAL | 106.1° | 109.7° |
| NAK | CAL | NAJ | 110.8° | 109.4° |
| NAK | CAL | NAA | 125.8° | 125.3° |
| NAJ | CAL | NAA | 123.3° | 125.3° |
| CAL | NAA | H7 | 109.5° | 120.0° |
| CAL | NAA | H8 | 109.5° | 120.0° |
| H7 | NAA | H8 | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAD | CAB | CAC | H3 | 180.0° | 180.0° |
| CAB | CAD | CAF | H4 | 180.0° | 179.9° |
| CAD | CAB | CAC | CAE | 0.3° | 0.0° |
| CAB | CAD | CAF | CAM | 1.2° | 0.0° |
| CAD | CAB | CAC | H2 | 179.7° | 180.0° |
| CAB | CAD | CAF | H5 | 178.7° | 179.9° |
| CAC | CAB | CAD | CAF | 0.3° | 0.0° |
| CAB | CAC | CAE | H2 | 180.0° | 180.0° |
| CAB | CAC | CAE | CAM | 0.0° | 0.0° |
| CAB | CAC | CAE | H1 | 180.0° | 179.7° |
| CAC | CAB | CAD | H4 | 179.7° | 180.0° |
| CAD | CAF | CAM | H5 | 180.0° | 180.0° |
| CAD | CAF | CAM | CAE | 1.5° | 0.1° |
| CAD | CAF | CAM | CAN | 178.7° | 179.8° |
| CAF | CAD | CAB | H3 | 179.7° | 180.0° |
| CAC | CAE | CAM | CAF | 0.9° | 0.0° |
| CAC | CAE | CAM | H1 | 180.0° | 179.7° |
| CAC | CAE | CAM | CAN | 178.0° | 179.8° |
| CAE | CAC | CAB | H3 | 179.7° | 180.0° |
| CAF | CAM | CAE | CAN | 177.2° | 179.8° |
| CAF | CAM | CAN | NAI | 6.4° | 179.8° |
| CAF | CAM | CAN | CAH | 171.6° | 0.5° |
| CAF | CAM | CAE | H1 | 179.1° | 179.7° |
| CAM | CAF | CAD | H4 | 178.7° | 180.0° |
| CAE | CAM | CAN | NAI | 176.5° | 0.1° |
| CAE | CAM | CAN | CAH | 5.5° | 179.7° |
| CAM | CAE | CAC | H2 | 180.0° | 180.0° |
| CAE | CAM | CAF | H5 | 178.5° | 179.9° |
| CAM | CAN | NAI | CAH | 178.1° | 179.8° |
| CAM | CAN | NAI | CAG | 179.9° | 180.0° |
| CAM | CAN | CAH | NAP | 179.9° | 179.7° |
| CAN | CAM | CAE | H1 | 2.0° | 0.1° |
| CAN | CAM | CAF | H5 | 1.3° | 0.2° |
| CAM | CAN | CAH | H9 | 0.1° | 0.0° |
| NAI | CAN | CAH | NAP | 1.8° | 0.5° |
| CAN | NAI | CAG | CAO | 1.6° | 0.0° |
| CAN | NAI | CAG | H6 | 178.4° | 180.0° |
| NAI | CAN | CAH | H9 | 178.2° | 179.7° |
| CAH | CAN | NAI | CAG | 2.1° | 0.2° |
| CAN | CAH | NAP | H9 | 180.0° | 179.7° |
| CAN | CAH | NAP | CAO | 1.1° | 0.5° |
| CAN | CAH | NAP | NAK | 179.9° | 179.8° |
| NAI | CAG | CAO | H6 | 180.0° | 179.9° |
| NAI | CAG | CAO | NAP | 0.8° | 0.0° |
| NAI | CAG | CAO | NAJ | 178.4° | 180.0° |
| CAH | NAP | CAO | CAG | 0.6° | 0.2° |
| CAH | NAP | CAO | NAK | 179.0° | 179.7° |
| CAH | NAP | CAO | NAJ | 178.8° | 179.7° |
| CAH | NAP | NAK | CAL | 178.2° | 179.7° |
| CAG | CAO | NAP | NAJ | 179.4° | 180.0° |
| CAG | CAO | NAP | NAK | 179.6° | 180.0° |
| CAG | CAO | NAJ | CAL | 178.9° | 180.0° |
| CAO | NAP | NAK | CAL | 0.8° | 0.0° |
| NAP | CAO | NAJ | CAL | 0.4° | 0.1° |
| NAP | CAO | CAG | H6 | 179.2° | 180.0° |
| CAO | NAP | CAH | H9 | 178.9° | 179.7° |
| NAK | NAP | CAO | NAJ | 0.2° | 0.0° |
| NAP | NAK | CAL | NAJ | 1.0° | 0.1° |
| NAP | NAK | CAL | NAA | 179.6° | 179.9° |
| NAK | NAP | CAH | H9 | 0.1° | 0.1° |
| CAO | NAJ | CAL | NAK | 0.9° | 0.1° |
| CAO | NAJ | CAL | NAA | 179.5° | 180.0° |
| NAJ | CAO | CAG | H6 | 1.6° | 0.1° |
| NAK | CAL | NAJ | NAA | 178.6° | 179.9° |
| NAK | CAL | NAA | H7 | 0.0° | 179.9° |
| NAK | CAL | NAA | H8 | 120.0° | 0.1° |
| NAJ | CAL | NAA | H7 | 178.4° | 0.1° |
| NAJ | CAL | NAA | H8 | 58.4° | 179.9° |
| CAL | NAA | H7 | H8 | 120.0° | 180.0° |
| H1 | CAE | CAC | H2 | 0.0° | 0.3° |
| H2 | CAC | CAB | H3 | 0.3° | 0.0° |
| H3 | CAB | CAD | H4 | 0.4° | 0.1° |
| H4 | CAD | CAF | H5 | 1.3° | 0.0° |
