C2Z
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OAC | PAO | doub | 1.48Å | 1.61Å | |
| OAB | PAO | sing | 1.61Å | 1.61Å | |
| NAH | OAI | sing | 1.21Å | 1.39Å | Aromatic |
| NAH | CAL | doub | 1.31Å | 1.33Å | Aromatic |
| OAI | CAK | sing | 1.34Å | 1.35Å | Aromatic |
| OAJ | CAN | sing | 1.34Å | 1.34Å | Aromatic |
| OAJ | CAM | sing | 1.35Å | 1.35Å | Aromatic |
| PAO | CAN | sing | 1.81Å | 1.77Å | |
| PAO | OAD | sing | 1.61Å | 1.60Å | |
| CAL | CAM | sing | 1.48Å | 1.34Å | |
| CAL | CAG | sing | 1.42Å | 1.33Å | Aromatic |
| CAK | OAA | sing | 1.35Å | 1.36Å | |
| CAK | CAG | doub | 1.36Å | 1.33Å | Aromatic |
| CAN | CAF | doub | 1.35Å | 1.33Å | Aromatic |
| CAM | CAE | doub | 1.36Å | 1.34Å | Aromatic |
| CAF | CAE | sing | 1.41Å | 1.33Å | Aromatic |
| OAB | H1 | sing | 0.97Å | 0.95Å | |
| OAD | H2 | sing | 0.97Å | 0.95Å | |
| CAF | H3 | sing | 1.08Å | 1.08Å | |
| CAE | H4 | sing | 1.08Å | 1.08Å | |
| CAG | H5 | sing | 1.08Å | 1.08Å | |
| OAA | H7 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OAC | PAO | OAB | 106.2° | 109.5° |
| OAC | PAO | CAN | 113.0° | 109.4° |
| OAC | PAO | OAD | 105.6° | 109.4° |
| OAB | PAO | CAN | 112.8° | 109.5° |
| OAB | PAO | OAD | 105.0° | 109.4° |
| PAO | OAB | H1 | 109.5° | 114.0° |
| OAI | NAH | CAL | 106.8° | 111.5° |
| NAH | OAI | CAK | 106.0° | 111.8° |
| NAH | CAL | CAM | 123.5° | 126.9° |
| NAH | CAL | CAG | 110.3° | 106.2° |
| OAI | CAK | OAA | 126.3° | 126.7° |
| OAI | CAK | CAG | 109.9° | 106.6° |
| CAN | OAJ | CAM | 105.0° | 109.4° |
| OAJ | CAN | PAO | 124.4° | 125.6° |
| OAJ | CAN | CAF | 110.5° | 108.7° |
| OAJ | CAM | CAL | 123.7° | 125.9° |
| OAJ | CAM | CAE | 109.6° | 108.1° |
| CAN | PAO | OAD | 113.4° | 109.5° |
| PAO | CAN | CAF | 125.2° | 125.7° |
| PAO | OAD | H2 | 109.5° | 114.0° |
| CAM | CAL | CAG | 126.3° | 126.9° |
| CAL | CAM | CAE | 126.7° | 125.9° |
| CAL | CAG | CAK | 107.0° | 103.9° |
| CAL | CAG | H5 | 126.5° | 128.1° |
| OAA | CAK | CAG | 123.8° | 126.7° |
| CAK | OAA | H7 | 109.5° | 114.0° |
| CAK | CAG | H5 | 126.5° | 128.0° |
| CAN | CAF | CAE | 107.3° | 107.0° |
| CAN | CAF | H3 | 126.4° | 126.4° |
| CAM | CAE | CAF | 107.5° | 106.8° |
| CAM | CAE | H4 | 126.2° | 126.6° |
| CAE | CAF | H3 | 126.3° | 126.6° |
| CAF | CAE | H4 | 126.2° | 126.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OAC | PAO | OAB | CAN | 124.3° | 120.0° |
| OAC | PAO | OAB | OAD | 111.7° | 120.0° |
| OAC | PAO | CAN | OAJ | 75.9° | 114.7° |
| OAC | PAO | CAN | OAD | 120.2° | 120.0° |
| OAC | PAO | CAN | CAF | 104.0° | 65.0° |
| OAC | PAO | OAB | H1 | 0.0° | 180.0° |
| OAC | PAO | OAD | H2 | 0.0° | 60.0° |
| OAB | PAO | CAN | OAJ | 44.6° | 5.3° |
| OAB | PAO | CAN | OAD | 119.3° | 120.0° |
| OAB | PAO | CAN | CAF | 135.5° | 175.0° |
| OAB | PAO | OAD | H2 | 112.0° | 60.0° |
| OAI | NAH | CAL | CAM | 179.7° | 180.0° |
| OAI | NAH | CAL | CAG | 0.3° | 0.3° |
| NAH | OAI | CAK | OAA | 180.0° | 180.0° |
| NAH | OAI | CAK | CAG | 0.1° | 0.0° |
| CAL | NAH | OAI | CAK | 0.2° | 0.2° |
| NAH | CAL | CAM | OAJ | 15.1° | 179.6° |
| NAH | CAL | CAM | CAG | 179.3° | 179.6° |
| NAH | CAL | CAG | CAK | 0.4° | 0.3° |
| NAH | CAL | CAM | CAE | 164.4° | 0.2° |
| NAH | CAL | CAG | H5 | 179.6° | 179.8° |
| OAI | CAK | CAG | CAL | 0.3° | 0.2° |
| OAI | CAK | OAA | CAG | 179.9° | 180.0° |
| OAI | CAK | CAG | H5 | 179.7° | 179.9° |
| OAI | CAK | OAA | H7 | 0.0° | 0.0° |
| OAJ | CAN | PAO | CAF | 179.9° | 179.7° |
| OAJ | CAN | PAO | OAD | 163.9° | 125.3° |
| CAN | OAJ | CAM | CAL | 179.7° | 180.0° |
| CAN | OAJ | CAM | CAE | 0.1° | 0.2° |
| OAJ | CAN | CAF | CAE | 0.2° | 0.2° |
| OAJ | CAN | CAF | H3 | 179.8° | 179.8° |
| CAM | OAJ | CAN | PAO | 179.7° | 180.0° |
| OAJ | CAM | CAL | CAE | 179.5° | 179.8° |
| OAJ | CAM | CAL | CAG | 164.2° | 0.0° |
| CAM | OAJ | CAN | CAF | 0.2° | 0.3° |
| OAJ | CAM | CAE | CAF | 0.0° | 0.0° |
| OAJ | CAM | CAE | H4 | 180.0° | 179.8° |
| PAO | CAN | CAF | CAE | 179.7° | 180.0° |
| CAN | PAO | OAB | H1 | 124.3° | 60.0° |
| CAN | PAO | OAD | H2 | 124.3° | 179.9° |
| PAO | CAN | CAF | H3 | 0.3° | 0.0° |
| OAD | PAO | CAN | CAF | 16.2° | 55.0° |
| OAD | PAO | OAB | H1 | 111.6° | 60.1° |
| CAM | CAL | CAG | CAK | 179.7° | 180.0° |
| CAL | CAM | CAE | CAF | 179.6° | 179.9° |
| CAL | CAM | CAE | H4 | 0.5° | 0.0° |
| CAM | CAL | CAG | H5 | 0.3° | 0.1° |
| CAL | CAG | CAK | OAA | 179.8° | 179.8° |
| CAL | CAG | CAK | H5 | 180.0° | 179.9° |
| CAG | CAL | CAM | CAE | 16.3° | 179.8° |
| OAA | CAK | CAG | H5 | 0.2° | 0.1° |
| CAG | CAK | OAA | H7 | 179.9° | 180.0° |
| CAN | CAF | CAE | CAM | 0.1° | 0.1° |
| CAN | CAF | CAE | H3 | 180.0° | 180.0° |
| CAN | CAF | CAE | H4 | 179.8° | 180.0° |
| CAM | CAE | CAF | H4 | 180.0° | 179.8° |
| CAM | CAE | CAF | H3 | 179.9° | 179.9° |
| H3 | CAF | CAE | H4 | 0.2° | 0.0° |
