431
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAP | CAM | sing | 1.51Å | 1.42Å | |
| CAM | CAL | doub | 1.38Å | 1.40Å | Aromatic |
| CAM | CAK | sing | 1.38Å | 1.40Å | Aromatic |
| CAL | CAJ | sing | 1.38Å | 1.40Å | Aromatic |
| CAK | CAI | doub | 1.38Å | 1.40Å | Aromatic |
| CAJ | CAG | doub | 1.40Å | 1.40Å | Aromatic |
| CAI | CAG | sing | 1.40Å | 1.41Å | Aromatic |
| CAG | CAA | sing | 1.48Å | 1.42Å | |
| CAA | OAC | sing | 1.34Å | 1.38Å | |
| CAA | CAB | doub | 1.36Å | 1.40Å | |
| OAC | CAF | sing | 1.35Å | 1.38Å | |
| CAB | CAD | sing | 1.41Å | 1.39Å | |
| CAF | CAO | doub | 1.39Å | 1.39Å | Aromatic |
| CAF | CAE | sing | 1.40Å | 1.40Å | Aromatic |
| CAO | CAR | sing | 1.38Å | 1.39Å | Aromatic |
| CAD | CAE | sing | 1.48Å | 1.41Å | |
| CAD | OAH | doub | 1.22Å | 1.25Å | |
| CAE | CAN | doub | 1.39Å | 1.39Å | Aromatic |
| CAR | CAQ | doub | 1.39Å | 1.41Å | Aromatic |
| CAN | CAQ | sing | 1.38Å | 1.40Å | Aromatic |
| CAB | H1 | sing | 1.08Å | 1.08Å | |
| CAN | H2 | sing | 1.08Å | 1.08Å | |
| CAQ | H3 | sing | 1.08Å | 1.08Å | |
| CAR | H4 | sing | 1.08Å | 1.08Å | |
| CAO | H5 | sing | 1.08Å | 1.08Å | |
| CAI | H6 | sing | 1.08Å | 1.08Å | |
| CAK | H7 | sing | 1.08Å | 1.08Å | |
| CAP | H8 | sing | 1.09Å | 1.10Å | |
| CAP | H9 | sing | 1.09Å | 1.10Å | |
| CAP | H10 | sing | 1.09Å | 1.10Å | |
| CAL | H11 | sing | 1.08Å | 1.08Å | |
| CAJ | H12 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAP | CAM | CAL | 120.2° | 119.9° |
| CAP | CAM | CAK | 122.4° | 119.8° |
| CAM | CAP | H8 | 109.5° | 109.4° |
| CAM | CAP | H9 | 109.4° | 109.5° |
| CAM | CAP | H10 | 109.5° | 109.4° |
| CAL | CAM | CAK | 117.4° | 120.3° |
| CAM | CAL | CAJ | 121.5° | 120.2° |
| CAM | CAL | H11 | 119.2° | 119.9° |
| CAM | CAK | CAI | 121.4° | 120.1° |
| CAM | CAK | H7 | 119.3° | 119.9° |
| CAL | CAJ | CAG | 121.5° | 119.8° |
| CAJ | CAL | H11 | 119.3° | 119.9° |
| CAL | CAJ | H12 | 119.2° | 120.1° |
| CAK | CAI | CAG | 121.6° | 119.9° |
| CAK | CAI | H6 | 119.2° | 120.0° |
| CAI | CAK | H7 | 119.3° | 120.0° |
| CAJ | CAG | CAI | 116.7° | 119.7° |
| CAJ | CAG | CAA | 118.8° | 120.1° |
| CAG | CAJ | H12 | 119.3° | 120.1° |
| CAI | CAG | CAA | 124.5° | 120.1° |
| CAG | CAI | H6 | 119.2° | 120.1° |
| CAG | CAA | OAC | 115.4° | 118.8° |
| CAG | CAA | CAB | 125.0° | 118.7° |
| OAC | CAA | CAB | 119.6° | 122.5° |
| CAA | OAC | CAF | 121.3° | 122.4° |
| CAA | CAB | CAD | 120.7° | 119.6° |
| CAA | CAB | H1 | 119.6° | 120.2° |
| OAC | CAF | CAO | 118.9° | 120.9° |
| OAC | CAF | CAE | 119.3° | 119.8° |
| CAB | CAD | CAE | 118.4° | 117.3° |
| CAB | CAD | OAH | 118.3° | 121.4° |
| CAD | CAB | H1 | 119.7° | 120.2° |
| CAO | CAF | CAE | 121.8° | 119.3° |
| CAF | CAO | CAR | 120.4° | 120.0° |
| CAF | CAO | H5 | 119.8° | 120.0° |
| CAF | CAE | CAD | 120.5° | 118.5° |
| CAF | CAE | CAN | 118.0° | 120.2° |
| CAO | CAR | CAQ | 118.2° | 120.7° |
| CAO | CAR | H4 | 120.9° | 119.7° |
| CAR | CAO | H5 | 119.8° | 120.0° |
| CAE | CAD | OAH | 122.8° | 121.3° |
| CAD | CAE | CAN | 121.5° | 121.4° |
| CAE | CAN | CAQ | 120.6° | 119.6° |
| CAE | CAN | H2 | 119.7° | 120.2° |
| CAR | CAQ | CAN | 120.9° | 120.3° |
| CAR | CAQ | H3 | 119.5° | 119.9° |
| CAQ | CAR | H4 | 120.9° | 119.7° |
| CAQ | CAN | H2 | 119.7° | 120.2° |
| CAN | CAQ | H3 | 119.6° | 119.8° |
| H8 | CAP | H9 | 109.5° | 109.5° |
| H8 | CAP | H10 | 109.5° | 109.5° |
| H9 | CAP | H10 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAP | CAM | CAL | CAK | 179.3° | 179.7° |
| CAP | CAM | CAL | CAJ | 179.1° | 180.0° |
| CAP | CAM | CAK | CAI | 179.4° | 179.7° |
| CAP | CAM | CAK | H7 | 0.7° | 0.3° |
| CAM | CAP | H8 | H9 | 120.0° | 120.0° |
| CAM | CAP | H8 | H10 | 120.0° | 119.9° |
| CAM | CAP | H9 | H10 | 120.0° | 120.0° |
| CAP | CAM | CAL | H11 | 0.9° | 0.2° |
| CAM | CAL | CAJ | H11 | 180.0° | 179.8° |
| CAL | CAM | CAK | CAI | 0.0° | 0.0° |
| CAM | CAL | CAJ | CAG | 0.6° | 0.6° |
| CAL | CAM | CAK | H7 | 180.0° | 180.0° |
| CAL | CAM | CAP | H8 | 90.3° | 90.0° |
| CAL | CAM | CAP | H9 | 149.7° | 150.0° |
| CAL | CAM | CAP | H10 | 29.7° | 30.0° |
| CAM | CAL | CAJ | H12 | 179.4° | 180.0° |
| CAK | CAM | CAL | CAJ | 0.2° | 0.3° |
| CAM | CAK | CAI | H7 | 180.0° | 180.0° |
| CAM | CAK | CAI | CAG | 0.1° | 0.0° |
| CAM | CAK | CAI | H6 | 179.9° | 180.0° |
| CAK | CAM | CAP | H8 | 90.4° | 89.7° |
| CAK | CAM | CAP | H9 | 29.6° | 30.3° |
| CAK | CAM | CAP | H10 | 149.6° | 150.3° |
| CAK | CAM | CAL | H11 | 179.8° | 179.9° |
| CAL | CAJ | CAG | H12 | 180.0° | 179.5° |
| CAL | CAJ | CAG | CAI | 0.8° | 0.6° |
| CAL | CAJ | CAG | CAA | 179.2° | 179.7° |
| CAK | CAI | CAG | CAJ | 0.5° | 0.3° |
| CAK | CAI | CAG | H6 | 180.0° | 180.0° |
| CAK | CAI | CAG | CAA | 179.5° | 180.0° |
| CAJ | CAG | CAI | CAA | 180.0° | 179.7° |
| CAJ | CAG | CAA | OAC | 1.1° | 179.7° |
| CAJ | CAG | CAA | CAB | 178.8° | 1.0° |
| CAJ | CAG | CAI | H6 | 179.5° | 179.7° |
| CAG | CAJ | CAL | H11 | 179.4° | 179.7° |
| CAI | CAG | CAA | OAC | 178.9° | 0.0° |
| CAI | CAG | CAA | CAB | 1.2° | 179.3° |
| CAG | CAI | CAK | H7 | 179.9° | 180.0° |
| CAI | CAG | CAJ | H12 | 179.2° | 180.0° |
| CAG | CAA | OAC | CAB | 179.9° | 179.3° |
| CAG | CAA | OAC | CAF | 176.9° | 180.0° |
| CAG | CAA | CAB | CAD | 177.9° | 180.0° |
| CAG | CAA | CAB | H1 | 2.1° | 0.4° |
| CAA | CAG | CAI | H6 | 0.5° | 0.0° |
| CAA | CAG | CAJ | H12 | 0.8° | 0.3° |
| OAC | CAA | CAB | CAD | 2.3° | 0.7° |
| CAA | OAC | CAF | CAO | 177.7° | 179.6° |
| CAA | OAC | CAF | CAE | 1.1° | 0.4° |
| OAC | CAA | CAB | H1 | 177.7° | 179.7° |
| CAB | CAA | OAC | CAF | 3.2° | 0.7° |
| CAA | CAB | CAD | H1 | 180.0° | 179.7° |
| CAA | CAB | CAD | CAE | 0.7° | 0.3° |
| CAA | CAB | CAD | OAH | 172.2° | 179.7° |
| OAC | CAF | CAO | CAE | 178.8° | 180.0° |
| OAC | CAF | CAO | CAR | 179.2° | 180.0° |
| OAC | CAF | CAE | CAD | 2.0° | 0.1° |
| OAC | CAF | CAE | CAN | 178.5° | 180.0° |
| OAC | CAF | CAO | H5 | 0.8° | 0.0° |
| CAB | CAD | CAE | CAF | 2.9° | 0.0° |
| CAB | CAD | CAE | OAH | 172.6° | 180.0° |
| CAB | CAD | CAE | CAN | 177.7° | 180.0° |
| CAF | CAO | CAR | H5 | 180.0° | 180.0° |
| CAO | CAF | CAE | CAD | 179.3° | 180.0° |
| CAO | CAF | CAE | CAN | 0.2° | 0.0° |
| CAF | CAO | CAR | CAQ | 1.4° | 0.0° |
| CAF | CAO | CAR | H4 | 178.6° | 180.0° |
| CAE | CAF | CAO | CAR | 0.4° | 0.0° |
| CAF | CAE | CAD | CAN | 179.5° | 179.9° |
| CAF | CAE | CAD | OAH | 169.7° | 180.0° |
| CAF | CAE | CAN | CAQ | 0.1° | 0.0° |
| CAF | CAE | CAN | H2 | 179.9° | 180.0° |
| CAE | CAF | CAO | H5 | 179.6° | 180.0° |
| CAO | CAR | CAQ | H4 | 180.0° | 180.0° |
| CAO | CAR | CAQ | CAN | 1.7° | 0.0° |
| CAO | CAR | CAQ | H3 | 178.3° | 180.0° |
| CAD | CAE | CAN | CAQ | 179.6° | 179.9° |
| CAE | CAD | CAB | H1 | 179.3° | 180.0° |
| CAD | CAE | CAN | H2 | 0.4° | 0.1° |
| OAH | CAD | CAE | CAN | 9.7° | 0.0° |
| OAH | CAD | CAB | H1 | 7.8° | 0.0° |
| CAE | CAN | CAQ | CAR | 1.1° | 0.0° |
| CAE | CAN | CAQ | H2 | 180.0° | 180.0° |
| CAE | CAN | CAQ | H3 | 178.9° | 180.0° |
| CAR | CAQ | CAN | H3 | 180.0° | 179.9° |
| CAR | CAQ | CAN | H2 | 178.9° | 179.9° |
| CAQ | CAR | CAO | H5 | 178.6° | 180.0° |
| CAN | CAQ | CAR | H4 | 178.3° | 180.0° |
| H2 | CAN | CAQ | H3 | 1.1° | 0.0° |
| H3 | CAQ | CAR | H4 | 1.7° | 0.1° |
| H4 | CAR | CAO | H5 | 1.4° | 0.0° |
| H6 | CAI | CAK | H7 | 0.1° | 0.0° |
| H8 | CAP | H9 | H10 | 120.0° | 120.1° |
| H11 | CAL | CAJ | H12 | 0.6° | 0.2° |
