0D1
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CLC | CAM | sing | 1.74Å | 1.72Å | |
| CAK | CAG | doub | 1.38Å | 1.38Å | Aromatic |
| CAK | CAR | sing | 1.39Å | 1.39Å | Aromatic |
| CAG | CAP | sing | 1.39Å | 1.39Å | Aromatic |
| CLD | CAM | sing | 1.74Å | 1.71Å | |
| CAM | CAN | doub | 1.34Å | 1.56Å | |
| CAN | CAR | sing | 1.48Å | 1.40Å | |
| CAN | CAQ | sing | 1.48Å | 1.42Å | |
| OAB | CAP | sing | 1.36Å | 1.36Å | |
| CAR | CAL | doub | 1.39Å | 1.40Å | Aromatic |
| CAP | CAH | doub | 1.39Å | 1.39Å | Aromatic |
| CAQ | CAJ | doub | 1.39Å | 1.40Å | Aromatic |
| CAQ | CAI | sing | 1.39Å | 1.40Å | Aromatic |
| CAJ | CAF | sing | 1.38Å | 1.40Å | Aromatic |
| CAH | CAL | sing | 1.38Å | 1.39Å | Aromatic |
| CAI | CAE | doub | 1.38Å | 1.39Å | Aromatic |
| CAF | CAO | doub | 1.39Å | 1.40Å | Aromatic |
| CAE | CAO | sing | 1.39Å | 1.39Å | Aromatic |
| CAO | OAA | sing | 1.36Å | 1.35Å | |
| CAI | H1 | sing | 1.08Å | 1.08Å | |
| CAE | H2 | sing | 1.08Å | 1.08Å | |
| OAA | H3 | sing | 0.97Å | 0.95Å | |
| CAF | H4 | sing | 1.08Å | 1.08Å | |
| CAJ | H5 | sing | 1.08Å | 1.08Å | |
| CAK | H6 | sing | 1.08Å | 1.08Å | |
| CAG | H7 | sing | 1.08Å | 1.08Å | |
| OAB | H8 | sing | 0.97Å | 0.95Å | |
| CAH | H9 | sing | 1.08Å | 1.08Å | |
| CAL | H10 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CLC | CAM | CLD | 116.2° | 120.0° |
| CLC | CAM | CAN | 119.8° | 120.1° |
| CAG | CAK | CAR | 120.3° | 119.9° |
| CAK | CAG | CAP | 119.9° | 120.1° |
| CAG | CAK | H6 | 119.9° | 120.0° |
| CAK | CAG | H7 | 120.1° | 120.0° |
| CAK | CAR | CAN | 117.7° | 120.1° |
| CAK | CAR | CAL | 120.0° | 119.9° |
| CAR | CAK | H6 | 119.8° | 120.1° |
| CAG | CAP | OAB | 119.5° | 119.9° |
| CAG | CAP | CAH | 120.3° | 120.1° |
| CAP | CAG | H7 | 120.0° | 120.0° |
| CLD | CAM | CAN | 124.0° | 119.9° |
| CAM | CAN | CAR | 117.5° | 119.9° |
| CAM | CAN | CAQ | 124.6° | 120.0° |
| CAR | CAN | CAQ | 117.7° | 120.0° |
| CAN | CAR | CAL | 122.2° | 120.1° |
| CAN | CAQ | CAJ | 122.2° | 120.1° |
| CAN | CAQ | CAI | 119.8° | 120.1° |
| OAB | CAP | CAH | 120.2° | 119.9° |
| CAP | OAB | H8 | 109.5° | 114.0° |
| CAR | CAL | CAH | 119.5° | 119.9° |
| CAR | CAL | H10 | 120.2° | 120.0° |
| CAP | CAH | CAL | 120.0° | 120.1° |
| CAP | CAH | H9 | 120.0° | 120.0° |
| CAJ | CAQ | CAI | 117.9° | 119.9° |
| CAQ | CAJ | CAF | 121.1° | 119.9° |
| CAQ | CAJ | H5 | 119.4° | 120.0° |
| CAQ | CAI | CAE | 121.8° | 119.9° |
| CAQ | CAI | H1 | 119.1° | 120.1° |
| CAJ | CAF | CAO | 119.3° | 120.1° |
| CAJ | CAF | H4 | 120.3° | 119.9° |
| CAF | CAJ | H5 | 119.4° | 120.1° |
| CAL | CAH | H9 | 120.0° | 120.0° |
| CAH | CAL | H10 | 120.3° | 120.1° |
| CAI | CAE | CAO | 119.6° | 120.1° |
| CAE | CAI | H1 | 119.1° | 120.0° |
| CAI | CAE | H2 | 120.2° | 120.0° |
| CAF | CAO | CAE | 120.2° | 120.2° |
| CAF | CAO | OAA | 121.2° | 119.9° |
| CAO | CAF | H4 | 120.3° | 120.0° |
| CAE | CAO | OAA | 118.6° | 119.9° |
| CAO | CAE | H2 | 120.2° | 120.0° |
| CAO | OAA | H3 | 109.5° | 114.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CLC | CAM | CLD | CAN | 178.0° | 180.0° |
| CLC | CAM | CAN | CAR | 0.8° | 0.0° |
| CLC | CAM | CAN | CAQ | 174.5° | 180.0° |
| CAG | CAK | CAR | H6 | 180.0° | 179.9° |
| CAK | CAG | CAP | H7 | 180.0° | 180.0° |
| CAG | CAK | CAR | CAN | 179.0° | 180.0° |
| CAK | CAG | CAP | OAB | 179.7° | 180.0° |
| CAG | CAK | CAR | CAL | 0.8° | 0.2° |
| CAK | CAG | CAP | CAH | 0.3° | 0.0° |
| CAR | CAK | CAG | CAP | 0.3° | 0.0° |
| CAK | CAR | CAN | CAM | 64.8° | 114.8° |
| CAK | CAR | CAN | CAL | 178.1° | 179.8° |
| CAK | CAR | CAN | CAQ | 121.1° | 65.2° |
| CAK | CAR | CAL | CAH | 0.7° | 0.4° |
| CAR | CAK | CAG | H7 | 179.7° | 179.9° |
| CAK | CAR | CAL | H10 | 179.3° | 179.8° |
| CAG | CAP | OAB | CAH | 179.4° | 179.9° |
| CAG | CAP | CAH | CAL | 0.4° | 0.2° |
| CAP | CAG | CAK | H6 | 179.7° | 180.0° |
| CAG | CAP | OAB | H8 | 180.0° | 90.0° |
| CAG | CAP | CAH | H9 | 179.6° | 180.0° |
| CLD | CAM | CAN | CAR | 178.8° | 180.0° |
| CLD | CAM | CAN | CAQ | 7.6° | 0.0° |
| CAM | CAN | CAR | CAQ | 174.1° | 180.0° |
| CAM | CAN | CAR | CAL | 117.1° | 65.1° |
| CAM | CAN | CAQ | CAJ | 152.2° | 65.0° |
| CAM | CAN | CAQ | CAI | 32.7° | 115.6° |
| CAR | CAN | CAQ | CAJ | 34.2° | 115.0° |
| CAR | CAN | CAQ | CAI | 141.0° | 64.5° |
| CAN | CAR | CAL | CAH | 178.8° | 179.8° |
| CAN | CAR | CAK | H6 | 1.0° | 0.1° |
| CAN | CAR | CAL | H10 | 1.3° | 0.0° |
| CAQ | CAN | CAR | CAL | 57.0° | 115.0° |
| CAN | CAQ | CAJ | CAI | 175.3° | 179.4° |
| CAN | CAQ | CAJ | CAF | 177.4° | 180.0° |
| CAN | CAQ | CAI | CAE | 177.5° | 180.0° |
| CAN | CAQ | CAI | H1 | 2.5° | 0.3° |
| CAN | CAQ | CAJ | H5 | 2.6° | 0.2° |
| OAB | CAP | CAH | CAL | 179.8° | 179.7° |
| OAB | CAP | CAG | H7 | 0.3° | 0.0° |
| OAB | CAP | CAH | H9 | 0.2° | 0.1° |
| CAR | CAL | CAH | CAP | 0.1° | 0.4° |
| CAR | CAL | CAH | H10 | 180.0° | 179.8° |
| CAL | CAR | CAK | H6 | 179.2° | 179.8° |
| CAR | CAL | CAH | H9 | 179.9° | 179.8° |
| CAP | CAH | CAL | H9 | 180.0° | 179.8° |
| CAH | CAP | CAG | H7 | 179.7° | 179.9° |
| CAH | CAP | OAB | H8 | 0.6° | 89.9° |
| CAP | CAH | CAL | H10 | 179.9° | 179.8° |
| CAQ | CAJ | CAF | H5 | 180.0° | 179.7° |
| CAJ | CAQ | CAI | CAE | 2.1° | 0.6° |
| CAQ | CAJ | CAF | CAO | 1.3° | 0.3° |
| CAJ | CAQ | CAI | H1 | 177.9° | 179.8° |
| CAQ | CAJ | CAF | H4 | 178.7° | 179.7° |
| CAI | CAQ | CAJ | CAF | 2.1° | 0.6° |
| CAQ | CAI | CAE | H1 | 180.0° | 179.6° |
| CAQ | CAI | CAE | CAO | 1.3° | 0.3° |
| CAQ | CAI | CAE | H2 | 178.7° | 179.7° |
| CAI | CAQ | CAJ | H5 | 177.9° | 179.7° |
| CAJ | CAF | CAO | H4 | 180.0° | 179.9° |
| CAJ | CAF | CAO | CAE | 0.4° | 0.1° |
| CAJ | CAF | CAO | OAA | 179.7° | 179.9° |
| CAI | CAE | CAO | CAF | 0.4° | 0.1° |
| CAI | CAE | CAO | H2 | 180.0° | 180.0° |
| CAI | CAE | CAO | OAA | 179.7° | 179.9° |
| CAF | CAO | CAE | OAA | 179.9° | 180.0° |
| CAF | CAO | CAE | H2 | 179.6° | 180.0° |
| CAF | CAO | OAA | H3 | 180.0° | 90.0° |
| CAO | CAF | CAJ | H5 | 178.7° | 180.0° |
| CAO | CAE | CAI | H1 | 178.7° | 180.0° |
| CAE | CAO | OAA | H3 | 0.1° | 90.0° |
| CAE | CAO | CAF | H4 | 179.6° | 180.0° |
| OAA | CAO | CAE | H2 | 0.3° | 0.0° |
| OAA | CAO | CAF | H4 | 0.3° | 0.0° |
| H1 | CAI | CAE | H2 | 1.3° | 0.1° |
| H4 | CAF | CAJ | H5 | 1.3° | 0.0° |
| H6 | CAK | CAG | H7 | 0.3° | 0.0° |
| H9 | CAH | CAL | H10 | 0.1° | 0.0° |
