0OP
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAB | CAD | doub | 1.38Å | 1.39Å | Aromatic |
| CAB | CAC | sing | 1.38Å | 1.40Å | Aromatic |
| CAD | CAG | sing | 1.38Å | 1.38Å | Aromatic |
| CAC | CAF | doub | 1.38Å | 1.39Å | Aromatic |
| CAG | CAN | doub | 1.38Å | 1.39Å | Aromatic |
| CAF | CAN | sing | 1.38Å | 1.39Å | Aromatic |
| CAN | CAL | sing | 1.51Å | 1.38Å | |
| CAI | CAE | doub | 1.38Å | 1.38Å | Aromatic |
| CAI | CAP | sing | 1.39Å | 1.39Å | Aromatic |
| CAE | CAH | sing | 1.38Å | 1.39Å | Aromatic |
| CAL | OAM | sing | 1.43Å | 1.42Å | |
| OAM | CAP | sing | 1.36Å | 1.35Å | |
| CAP | CAJ | doub | 1.39Å | 1.39Å | Aromatic |
| OAA | CAK | sing | 1.43Å | 1.44Å | |
| CAH | CAO | doub | 1.38Å | 1.39Å | Aromatic |
| CAJ | CAO | sing | 1.38Å | 1.37Å | Aromatic |
| CAO | CAK | sing | 1.51Å | 1.37Å | |
| CAF | 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 | |
| CAG | H5 | sing | 1.08Å | 1.08Å | |
| CAL | H6 | sing | 1.09Å | 1.10Å | |
| CAL | H7 | sing | 1.09Å | 1.10Å | |
| CAJ | H8 | sing | 1.08Å | 1.08Å | |
| CAI | H9 | sing | 1.08Å | 1.08Å | |
| CAE | H10 | sing | 1.08Å | 1.08Å | |
| CAH | H11 | sing | 1.08Å | 1.08Å | |
| CAK | H12 | sing | 1.09Å | 1.10Å | |
| CAK | H13 | sing | 1.09Å | 1.10Å | |
| OAA | H14 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAD | CAB | CAC | 120.6° | 120.0° |
| CAB | CAD | CAG | 119.1° | 119.9° |
| CAD | CAB | H3 | 119.7° | 120.0° |
| CAB | CAD | H4 | 120.5° | 120.0° |
| CAB | CAC | CAF | 121.1° | 120.0° |
| CAB | CAC | H2 | 119.5° | 120.0° |
| CAC | CAB | H3 | 119.7° | 120.0° |
| CAD | CAG | CAN | 119.9° | 120.0° |
| CAG | CAD | H4 | 120.4° | 120.0° |
| CAD | CAG | H5 | 120.0° | 120.0° |
| CAC | CAF | CAN | 117.7° | 120.0° |
| CAC | CAF | H1 | 121.2° | 120.0° |
| CAF | CAC | H2 | 119.5° | 120.0° |
| CAG | CAN | CAF | 121.6° | 120.0° |
| CAG | CAN | CAL | 119.5° | 120.0° |
| CAN | CAG | H5 | 120.0° | 120.0° |
| CAF | CAN | CAL | 118.9° | 120.0° |
| CAN | CAF | H1 | 121.1° | 120.0° |
| CAN | CAL | OAM | 109.2° | 109.5° |
| CAN | CAL | H6 | 109.5° | 109.5° |
| CAN | CAL | H7 | 109.5° | 109.5° |
| CAE | CAI | CAP | 118.4° | 119.9° |
| CAI | CAE | CAH | 120.3° | 120.1° |
| CAE | CAI | H9 | 120.8° | 120.0° |
| CAI | CAE | H10 | 119.9° | 119.9° |
| CAI | CAP | OAM | 120.9° | 120.0° |
| CAI | CAP | CAJ | 121.7° | 119.9° |
| CAP | CAI | H9 | 120.8° | 120.1° |
| CAE | CAH | CAO | 120.6° | 120.1° |
| CAH | CAE | H10 | 119.8° | 120.0° |
| CAE | CAH | H11 | 119.7° | 120.0° |
| CAL | OAM | CAP | 106.6° | 117.0° |
| OAM | CAL | H6 | 109.5° | 109.4° |
| OAM | CAL | H7 | 109.5° | 109.5° |
| OAM | CAP | CAJ | 117.4° | 120.1° |
| CAP | CAJ | CAO | 119.4° | 119.9° |
| CAP | CAJ | H8 | 120.3° | 120.0° |
| OAA | CAK | CAO | 108.1° | 109.4° |
| OAA | CAK | H12 | 109.8° | 109.5° |
| OAA | CAK | H13 | 109.8° | 109.5° |
| CAK | OAA | H14 | 109.5° | 114.0° |
| CAH | CAO | CAJ | 119.6° | 120.1° |
| CAH | CAO | CAK | 123.0° | 120.0° |
| CAO | CAH | H11 | 119.7° | 119.9° |
| CAJ | CAO | CAK | 117.4° | 119.9° |
| CAO | CAJ | H8 | 120.3° | 120.0° |
| CAO | CAK | H12 | 109.8° | 109.4° |
| CAO | CAK | H13 | 109.8° | 109.5° |
| H6 | CAL | H7 | 109.4° | 109.5° |
| H12 | CAK | H13 | 109.5° | 109.5° |
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 | CAG | H4 | 180.0° | 180.0° |
| CAD | CAB | CAC | CAF | 0.5° | 0.0° |
| CAB | CAD | CAG | CAN | 0.5° | 0.1° |
| CAD | CAB | CAC | H2 | 179.4° | 180.0° |
| CAB | CAD | CAG | H5 | 179.5° | 180.0° |
| CAC | CAB | CAD | CAG | 0.2° | 0.1° |
| CAB | CAC | CAF | H2 | 180.0° | 180.0° |
| CAB | CAC | CAF | CAN | 0.8° | 0.0° |
| CAB | CAC | CAF | H1 | 179.2° | 179.7° |
| CAC | CAB | CAD | H4 | 179.8° | 180.0° |
| CAD | CAG | CAN | H5 | 180.0° | 180.0° |
| CAD | CAG | CAN | CAF | 0.2° | 0.1° |
| CAD | CAG | CAN | CAL | 179.6° | 179.8° |
| CAG | CAD | CAB | H3 | 179.9° | 180.0° |
| CAC | CAF | CAN | CAG | 0.5° | 0.0° |
| CAC | CAF | CAN | H1 | 180.0° | 179.7° |
| CAC | CAF | CAN | CAL | 179.7° | 179.7° |
| CAF | CAC | CAB | H3 | 179.4° | 180.0° |
| CAG | CAN | CAF | CAL | 179.8° | 179.7° |
| CAG | CAN | CAL | OAM | 9.7° | 90.3° |
| CAG | CAN | CAF | H1 | 179.5° | 179.7° |
| CAN | CAG | CAD | H4 | 179.4° | 179.9° |
| CAG | CAN | CAL | H6 | 129.7° | 29.7° |
| CAG | CAN | CAL | H7 | 110.3° | 149.7° |
| CAF | CAN | CAL | OAM | 170.1° | 90.0° |
| CAN | CAF | CAC | H2 | 179.1° | 180.0° |
| CAF | CAN | CAG | H5 | 179.8° | 180.0° |
| CAF | CAN | CAL | H6 | 50.1° | 150.0° |
| CAF | CAN | CAL | H7 | 69.9° | 30.0° |
| CAN | CAL | OAM | H6 | 120.0° | 120.0° |
| CAN | CAL | OAM | H7 | 120.0° | 120.0° |
| CAN | CAL | OAM | CAP | 131.0° | 180.0° |
| CAL | CAN | CAF | H1 | 0.3° | 0.0° |
| CAL | CAN | CAG | H5 | 0.4° | 0.3° |
| CAN | CAL | H6 | H7 | 120.1° | 120.0° |
| CAE | CAI | CAP | H9 | 180.0° | 180.0° |
| CAI | CAE | CAH | H10 | 180.0° | 180.0° |
| CAE | CAI | CAP | OAM | 179.7° | 180.0° |
| CAE | CAI | CAP | CAJ | 0.7° | 0.3° |
| CAI | CAE | CAH | CAO | 0.5° | 0.2° |
| CAI | CAE | CAH | H11 | 179.5° | 180.0° |
| CAP | CAI | CAE | CAH | 0.1° | 0.0° |
| CAI | CAP | OAM | CAL | 161.1° | 0.3° |
| CAI | CAP | OAM | CAJ | 179.6° | 179.6° |
| CAI | CAP | CAJ | CAO | 1.0° | 0.4° |
| CAI | CAP | CAJ | H8 | 179.0° | 179.8° |
| CAP | CAI | CAE | H10 | 180.0° | 180.0° |
| CAE | CAH | CAO | H11 | 180.0° | 179.9° |
| CAE | CAH | CAO | CAJ | 0.1° | 0.2° |
| CAE | CAH | CAO | CAK | 178.2° | 179.8° |
| CAH | CAE | CAI | H9 | 179.9° | 180.0° |
| CAL | OAM | CAP | CAJ | 18.5° | 180.0° |
| OAM | CAL | H6 | H7 | 120.1° | 120.0° |
| OAM | CAP | CAJ | CAO | 179.4° | 180.0° |
| CAP | OAM | CAL | H6 | 109.0° | 60.1° |
| CAP | OAM | CAL | H7 | 11.0° | 60.0° |
| OAM | CAP | CAJ | H8 | 0.6° | 0.2° |
| OAM | CAP | CAI | H9 | 0.3° | 0.1° |
| CAP | CAJ | CAO | CAH | 0.6° | 0.1° |
| CAP | CAJ | CAO | H8 | 180.0° | 179.8° |
| CAP | CAJ | CAO | CAK | 179.0° | 180.0° |
| CAJ | CAP | CAI | H9 | 179.3° | 179.7° |
| OAA | CAK | CAO | CAH | 125.8° | 89.9° |
| OAA | CAK | CAO | CAJ | 52.6° | 90.0° |
| OAA | CAK | CAO | H12 | 119.8° | 120.0° |
| OAA | CAK | CAO | H13 | 119.8° | 120.0° |
| OAA | CAK | H12 | H13 | 120.7° | 120.1° |
| CAH | CAO | CAJ | CAK | 178.5° | 179.9° |
| CAH | CAO | CAJ | H8 | 179.4° | 180.0° |
| CAO | CAH | CAE | H10 | 179.5° | 179.8° |
| CAH | CAO | CAK | H12 | 114.4° | 30.0° |
| CAH | CAO | CAK | H13 | 6.0° | 150.1° |
| CAJ | CAO | CAH | H11 | 179.8° | 180.0° |
| CAJ | CAO | CAK | H12 | 67.1° | 150.1° |
| CAJ | CAO | CAK | H13 | 172.4° | 30.0° |
| CAK | CAO | CAJ | H8 | 1.0° | 0.1° |
| CAK | CAO | CAH | H11 | 1.8° | 0.1° |
| CAO | CAK | H12 | H13 | 120.6° | 120.0° |
| CAO | CAK | OAA | H14 | 180.0° | 180.0° |
| H1 | CAF | CAC | H2 | 0.9° | 0.3° |
| H2 | CAC | CAB | H3 | 0.6° | 0.0° |
| H3 | CAB | CAD | H4 | 0.2° | 0.0° |
| H4 | CAD | CAG | H5 | 0.5° | 0.0° |
| H9 | CAI | CAE | H10 | 0.1° | 0.0° |
| H10 | CAE | CAH | H11 | 0.5° | 0.1° |
| H12 | CAK | OAA | H14 | 60.3° | 60.1° |
| H13 | CAK | OAA | H14 | 60.2° | 60.0° |
