0ON
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAB | CAC | doub | 1.38Å | 1.39Å | Aromatic |
| CAB | CAD | sing | 1.38Å | 1.39Å | Aromatic |
| CAC | CAG | sing | 1.38Å | 1.39Å | Aromatic |
| CAD | CAH | doub | 1.38Å | 1.39Å | Aromatic |
| CAG | CAN | doub | 1.39Å | 1.40Å | Aromatic |
| CAH | CAN | sing | 1.39Å | 1.39Å | Aromatic |
| CAN | NAL | sing | 1.40Å | 1.33Å | |
| NAL | CAM | sing | 1.35Å | 1.34Å | |
| CAM | OAA | doub | 1.22Å | 1.24Å | |
| CAM | CAO | sing | 1.48Å | 1.55Å | |
| CAJ | CAO | doub | 1.40Å | 1.40Å | Aromatic |
| CAJ | NAK | sing | 1.32Å | 1.33Å | Aromatic |
| CAO | CAI | sing | 1.40Å | 1.40Å | Aromatic |
| NAK | CAF | doub | 1.32Å | 1.33Å | Aromatic |
| CAI | CAE | doub | 1.38Å | 1.39Å | Aromatic |
| CAF | CAE | sing | 1.38Å | 1.40Å | 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 | |
| NAL | H6 | sing | 0.97Å | 1.00Å | |
| 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 | 120.5° | 120.2° |
| CAB | CAC | CAG | 119.3° | 120.0° |
| CAB | CAC | H2 | 120.4° | 120.0° |
| CAC | CAB | H3 | 119.7° | 119.9° |
| CAB | CAD | CAH | 120.8° | 120.1° |
| CAD | CAB | H3 | 119.7° | 119.9° |
| CAB | CAD | H4 | 119.6° | 120.0° |
| CAC | CAG | CAN | 120.1° | 120.0° |
| CAC | CAG | H1 | 120.0° | 120.0° |
| CAG | CAC | H2 | 120.3° | 120.0° |
| CAD | CAH | CAN | 118.7° | 119.9° |
| CAH | CAD | H4 | 119.6° | 120.0° |
| CAD | CAH | H5 | 120.6° | 120.0° |
| CAG | CAN | CAH | 120.6° | 119.8° |
| CAG | CAN | NAL | 121.3° | 120.1° |
| CAN | CAG | H1 | 120.0° | 120.0° |
| CAH | CAN | NAL | 118.0° | 120.1° |
| CAN | CAH | H5 | 120.7° | 120.0° |
| CAN | NAL | CAM | 123.4° | 120.0° |
| CAN | NAL | H6 | 118.3° | 120.0° |
| NAL | CAM | OAA | 124.3° | 120.0° |
| NAL | CAM | CAO | 113.9° | 120.0° |
| CAM | NAL | H6 | 118.3° | 120.0° |
| OAA | CAM | CAO | 121.8° | 119.9° |
| CAM | CAO | CAJ | 120.2° | 120.5° |
| CAM | CAO | CAI | 120.0° | 120.6° |
| CAO | CAJ | NAK | 120.5° | 120.5° |
| CAJ | CAO | CAI | 119.7° | 118.9° |
| CAO | CAJ | H10 | 119.8° | 119.7° |
| CAJ | NAK | CAF | 121.0° | 121.9° |
| NAK | CAJ | H10 | 119.7° | 119.7° |
| CAO | CAI | CAE | 118.4° | 118.3° |
| CAO | CAI | H7 | 120.8° | 120.8° |
| NAK | CAF | CAE | 121.9° | 121.1° |
| NAK | CAF | H9 | 119.1° | 119.5° |
| CAI | CAE | CAF | 118.5° | 119.3° |
| CAE | CAI | H7 | 120.8° | 120.9° |
| CAI | CAE | H8 | 120.8° | 120.3° |
| CAF | CAE | H8 | 120.8° | 120.3° |
| CAE | CAF | H9 | 119.0° | 119.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAC | CAB | CAD | H3 | 180.0° | 180.0° |
| CAB | CAC | CAG | H2 | 180.0° | 179.9° |
| CAC | CAB | CAD | CAH | 0.4° | 0.0° |
| CAB | CAC | CAG | CAN | 0.8° | 0.1° |
| CAB | CAC | CAG | H1 | 179.2° | 179.8° |
| CAC | CAB | CAD | H4 | 179.7° | 179.9° |
| CAD | CAB | CAC | CAG | 0.4° | 0.1° |
| CAB | CAD | CAH | H4 | 180.0° | 180.0° |
| CAB | CAD | CAH | CAN | 0.7° | 0.0° |
| CAD | CAB | CAC | H2 | 179.6° | 180.0° |
| CAB | CAD | CAH | H5 | 179.3° | 179.9° |
| CAC | CAG | CAN | H1 | 180.0° | 179.7° |
| CAC | CAG | CAN | CAH | 0.5° | 0.1° |
| CAC | CAG | CAN | NAL | 179.9° | 179.7° |
| CAG | CAC | CAB | H3 | 179.6° | 180.0° |
| CAD | CAH | CAN | CAG | 0.2° | 0.0° |
| CAD | CAH | CAN | H5 | 180.0° | 179.9° |
| CAD | CAH | CAN | NAL | 179.1° | 179.7° |
| CAH | CAD | CAB | H3 | 179.6° | 180.0° |
| CAG | CAN | CAH | NAL | 179.4° | 179.7° |
| CAG | CAN | NAL | CAM | 61.9° | 33.4° |
| CAN | CAG | CAC | H2 | 179.2° | 180.0° |
| CAG | CAN | CAH | H5 | 179.7° | 180.0° |
| CAG | CAN | NAL | H6 | 118.1° | 146.7° |
| CAH | CAN | NAL | CAM | 118.7° | 146.9° |
| CAH | CAN | CAG | H1 | 179.5° | 179.8° |
| CAN | CAH | CAD | H4 | 179.3° | 179.9° |
| CAH | CAN | NAL | H6 | 61.3° | 33.0° |
| CAN | NAL | CAM | H6 | 180.0° | 179.9° |
| CAN | NAL | CAM | OAA | 2.2° | 5.3° |
| CAN | NAL | CAM | CAO | 177.4° | 174.8° |
| NAL | CAN | CAG | H1 | 0.1° | 0.1° |
| NAL | CAN | CAH | H5 | 0.9° | 0.2° |
| NAL | CAM | OAA | CAO | 179.5° | 180.0° |
| NAL | CAM | CAO | CAJ | 35.0° | 0.3° |
| NAL | CAM | CAO | CAI | 143.5° | 180.0° |
| OAA | CAM | CAO | CAJ | 145.4° | 179.7° |
| OAA | CAM | CAO | CAI | 36.0° | 0.1° |
| OAA | CAM | NAL | H6 | 177.9° | 174.7° |
| CAM | CAO | CAJ | CAI | 178.6° | 179.8° |
| CAM | CAO | CAJ | NAK | 179.6° | 179.7° |
| CAM | CAO | CAI | CAE | 179.5° | 180.0° |
| CAO | CAM | NAL | H6 | 2.6° | 5.3° |
| CAM | CAO | CAI | H7 | 0.5° | 0.0° |
| CAM | CAO | CAJ | H10 | 0.4° | 0.0° |
| CAO | CAJ | NAK | H10 | 180.0° | 179.8° |
| CAO | CAJ | NAK | CAF | 0.4° | 0.5° |
| CAJ | CAO | CAI | CAE | 0.9° | 0.2° |
| CAJ | CAO | CAI | H7 | 179.1° | 179.8° |
| NAK | CAJ | CAO | CAI | 1.0° | 0.5° |
| CAJ | NAK | CAF | CAE | 0.3° | 0.3° |
| CAJ | NAK | CAF | H9 | 179.7° | 179.7° |
| CAO | CAI | CAE | H7 | 180.0° | 180.0° |
| CAO | CAI | CAE | CAF | 0.2° | 0.1° |
| CAO | CAI | CAE | H8 | 179.8° | 180.0° |
| CAI | CAO | CAJ | H10 | 179.0° | 179.7° |
| NAK | CAF | CAE | CAI | 0.4° | 0.0° |
| NAK | CAF | CAE | H9 | 180.0° | 179.9° |
| NAK | CAF | CAE | H8 | 179.6° | 180.0° |
| CAF | NAK | CAJ | H10 | 179.6° | 179.7° |
| CAI | CAE | CAF | H8 | 180.0° | 180.0° |
| CAI | CAE | CAF | H9 | 179.6° | 180.0° |
| CAF | CAE | CAI | H7 | 179.8° | 180.0° |
| H1 | CAG | CAC | H2 | 0.8° | 0.3° |
| H2 | CAC | CAB | H3 | 0.4° | 0.1° |
| H3 | CAB | CAD | H4 | 0.3° | 0.1° |
| H4 | CAD | CAH | H5 | 0.7° | 0.0° |
| H7 | CAI | CAE | H8 | 0.2° | 0.0° |
| H8 | CAE | CAF | H9 | 0.4° | 0.1° |
