27M
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OAB | CAM | sing | 1.36Å | 1.36Å | |
| CAJ | CAM | doub | 1.39Å | 1.39Å | Aromatic |
| CAJ | CAO | sing | 1.38Å | 1.39Å | Aromatic |
| CAM | CAF | sing | 1.39Å | 1.39Å | Aromatic |
| OAD | CAO | sing | 1.36Å | 1.36Å | |
| CAO | CAQ | doub | 1.40Å | 1.40Å | Aromatic |
| CAF | CAH | doub | 1.37Å | 1.39Å | Aromatic |
| CAQ | CAH | sing | 1.40Å | 1.40Å | Aromatic |
| CAQ | CAL | sing | 1.47Å | 1.41Å | |
| OAA | CAL | doub | 1.22Å | 1.23Å | |
| CAL | CAR | sing | 1.47Å | 1.41Å | |
| CAR | CAI | doub | 1.40Å | 1.39Å | Aromatic |
| CAR | CAP | sing | 1.40Å | 1.40Å | Aromatic |
| OAE | CAP | sing | 1.36Å | 1.37Å | |
| CAI | CAG | sing | 1.37Å | 1.39Å | Aromatic |
| CAP | CAK | doub | 1.38Å | 1.39Å | Aromatic |
| CAG | CAN | doub | 1.39Å | 1.39Å | Aromatic |
| CAK | CAN | sing | 1.39Å | 1.39Å | Aromatic |
| CAN | OAC | sing | 1.36Å | 1.37Å | |
| OAD | H1 | sing | 0.97Å | 0.95Å | |
| CAJ | H2 | sing | 1.08Å | 1.08Å | |
| OAB | H3 | sing | 0.97Å | 0.95Å | |
| CAF | H4 | sing | 1.08Å | 1.08Å | |
| CAH | H5 | sing | 1.08Å | 1.08Å | |
| CAI | H6 | sing | 1.08Å | 1.08Å | |
| CAG | H7 | sing | 1.08Å | 1.08Å | |
| OAC | H8 | sing | 0.97Å | 0.95Å | |
| CAK | H9 | sing | 1.08Å | 1.08Å | |
| OAE | H10 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OAB | CAM | CAJ | 119.9° | 119.9° |
| OAB | CAM | CAF | 120.6° | 119.8° |
| CAM | OAB | H3 | 109.5° | 114.0° |
| CAM | CAJ | CAO | 119.3° | 120.0° |
| CAJ | CAM | CAF | 119.5° | 120.3° |
| CAM | CAJ | H2 | 120.3° | 120.0° |
| CAJ | CAO | OAD | 120.3° | 120.2° |
| CAJ | CAO | CAQ | 122.4° | 119.7° |
| CAO | CAJ | H2 | 120.3° | 120.0° |
| CAM | CAF | CAH | 120.3° | 120.3° |
| CAM | CAF | H4 | 119.8° | 119.8° |
| OAD | CAO | CAQ | 117.0° | 120.2° |
| CAO | OAD | H1 | 109.5° | 114.0° |
| CAO | CAQ | CAH | 116.7° | 119.7° |
| CAO | CAQ | CAL | 120.2° | 120.1° |
| CAF | CAH | CAQ | 121.3° | 120.1° |
| CAH | CAF | H4 | 119.9° | 119.9° |
| CAF | CAH | H5 | 119.4° | 120.0° |
| CAH | CAQ | CAL | 122.1° | 120.2° |
| CAQ | CAH | H5 | 119.3° | 119.9° |
| CAQ | CAL | OAA | 119.8° | 120.0° |
| CAQ | CAL | CAR | 120.7° | 120.0° |
| OAA | CAL | CAR | 119.5° | 120.0° |
| CAL | CAR | CAI | 121.3° | 120.1° |
| CAL | CAR | CAP | 120.8° | 120.2° |
| CAI | CAR | CAP | 116.9° | 119.7° |
| CAR | CAI | CAG | 121.6° | 120.0° |
| CAR | CAI | H6 | 119.2° | 120.0° |
| CAR | CAP | OAE | 117.9° | 120.2° |
| CAR | CAP | CAK | 121.7° | 119.7° |
| OAE | CAP | CAK | 119.9° | 120.2° |
| CAP | OAE | H10 | 109.5° | 114.0° |
| CAI | CAG | CAN | 120.0° | 120.2° |
| CAG | CAI | H6 | 119.2° | 120.0° |
| CAI | CAG | H7 | 120.0° | 119.9° |
| CAP | CAK | CAN | 119.9° | 120.0° |
| CAP | CAK | H9 | 120.0° | 120.0° |
| CAG | CAN | CAK | 119.4° | 120.3° |
| CAG | CAN | OAC | 120.9° | 119.8° |
| CAN | CAG | H7 | 120.0° | 119.9° |
| CAK | CAN | OAC | 119.7° | 119.8° |
| CAN | CAK | H9 | 120.0° | 120.0° |
| CAN | OAC | H8 | 109.5° | 114.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OAB | CAM | CAJ | CAF | 179.6° | 179.9° |
| OAB | CAM | CAJ | CAO | 179.1° | 180.0° |
| OAB | CAM | CAF | CAH | 179.9° | 180.0° |
| OAB | CAM | CAJ | H2 | 0.9° | 0.0° |
| OAB | CAM | CAF | H4 | 0.1° | 0.0° |
| CAM | CAJ | CAO | H2 | 180.0° | 180.0° |
| CAM | CAJ | CAO | OAD | 178.6° | 180.0° |
| CAM | CAJ | CAO | CAQ | 5.4° | 0.2° |
| CAJ | CAM | CAF | CAH | 0.4° | 0.1° |
| CAJ | CAM | OAB | H3 | 180.0° | 89.9° |
| CAJ | CAM | CAF | H4 | 179.6° | 180.0° |
| CAO | CAJ | CAM | CAF | 1.3° | 0.0° |
| CAJ | CAO | OAD | CAQ | 173.6° | 179.8° |
| CAJ | CAO | CAQ | CAH | 8.2° | 0.5° |
| CAJ | CAO | CAQ | CAL | 177.0° | 179.8° |
| CAJ | CAO | OAD | H1 | 173.2° | 89.8° |
| CAM | CAF | CAH | H4 | 180.0° | 180.0° |
| CAM | CAF | CAH | CAQ | 3.6° | 0.3° |
| CAF | CAM | CAJ | H2 | 178.8° | 179.9° |
| CAF | CAM | OAB | H3 | 0.4° | 90.0° |
| CAM | CAF | CAH | H5 | 176.4° | 180.0° |
| OAD | CAO | CAQ | CAH | 178.3° | 179.7° |
| OAD | CAO | CAQ | CAL | 9.6° | 0.0° |
| OAD | CAO | CAJ | H2 | 1.4° | 0.1° |
| CAO | CAQ | CAH | CAF | 7.2° | 0.5° |
| CAO | CAQ | CAH | CAL | 168.5° | 179.8° |
| CAO | CAQ | CAL | OAA | 9.4° | 104.6° |
| CAO | CAQ | CAL | CAR | 171.5° | 75.5° |
| CAQ | CAO | OAD | H1 | 13.2° | 90.0° |
| CAQ | CAO | CAJ | H2 | 174.7° | 179.7° |
| CAO | CAQ | CAH | H5 | 172.8° | 179.8° |
| CAF | CAH | CAQ | H5 | 180.0° | 179.7° |
| CAF | CAH | CAQ | CAL | 175.7° | 179.7° |
| CAH | CAQ | CAL | OAA | 158.8° | 75.6° |
| CAH | CAQ | CAL | CAR | 20.3° | 104.3° |
| CAQ | CAH | CAF | H4 | 176.4° | 179.7° |
| CAQ | CAL | OAA | CAR | 179.1° | 179.9° |
| CAQ | CAL | CAR | CAI | 20.8° | 5.3° |
| CAQ | CAL | CAR | CAP | 171.0° | 174.9° |
| CAL | CAQ | CAH | H5 | 4.3° | 0.0° |
| OAA | CAL | CAR | CAI | 160.1° | 174.6° |
| OAA | CAL | CAR | CAP | 8.1° | 5.2° |
| CAL | CAR | CAI | CAP | 168.7° | 179.8° |
| CAL | CAR | CAP | OAE | 10.1° | 0.1° |
| CAL | CAR | CAI | CAG | 176.1° | 179.9° |
| CAL | CAR | CAP | CAK | 177.4° | 179.7° |
| CAL | CAR | CAI | H6 | 4.0° | 0.1° |
| CAI | CAR | CAP | OAE | 178.8° | 179.7° |
| CAR | CAI | CAG | H6 | 180.0° | 180.0° |
| CAI | CAR | CAP | CAK | 8.6° | 0.5° |
| CAR | CAI | CAG | CAN | 3.3° | 0.0° |
| CAR | CAI | CAG | H7 | 176.7° | 180.0° |
| CAR | CAP | OAE | CAK | 172.7° | 179.8° |
| CAP | CAR | CAI | CAG | 7.4° | 0.3° |
| CAR | CAP | CAK | CAN | 5.7° | 0.5° |
| CAP | CAR | CAI | H6 | 172.6° | 179.7° |
| CAR | CAP | CAK | H9 | 174.3° | 179.7° |
| CAR | CAP | OAE | H10 | 12.9° | 90.0° |
| OAE | CAP | CAK | CAN | 178.2° | 179.7° |
| OAE | CAP | CAK | H9 | 1.8° | 0.0° |
| CAI | CAG | CAN | H7 | 180.0° | 180.0° |
| CAI | CAG | CAN | CAK | 0.0° | 0.0° |
| CAI | CAG | CAN | OAC | 179.9° | 180.0° |
| CAP | CAK | CAN | CAG | 1.2° | 0.3° |
| CAP | CAK | CAN | H9 | 180.0° | 179.8° |
| CAP | CAK | CAN | OAC | 178.7° | 179.8° |
| CAK | CAP | OAE | H10 | 174.4° | 89.7° |
| CAG | CAN | CAK | OAC | 179.9° | 180.0° |
| CAN | CAG | CAI | H6 | 176.8° | 180.0° |
| CAG | CAN | OAC | H8 | 180.0° | 90.0° |
| CAG | CAN | CAK | H9 | 178.8° | 180.0° |
| CAK | CAN | CAG | H7 | 180.0° | 180.0° |
| CAK | CAN | OAC | H8 | 0.1° | 90.0° |
| OAC | CAN | CAG | H7 | 0.2° | 0.0° |
| OAC | CAN | CAK | H9 | 1.4° | 0.0° |
| H4 | CAF | CAH | H5 | 3.6° | 0.0° |
| H6 | CAI | CAG | H7 | 3.3° | 0.0° |
