9OE
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OAC | CAP | doub | 1.22Å | 1.24Å | |
| CAA | OAJ | sing | 1.43Å | 1.44Å | |
| CAP | SAK | sing | 1.77Å | 1.67Å | |
| CAP | NAI | sing | 1.33Å | 1.34Å | |
| SAK | CAQ | sing | 1.78Å | 1.69Å | |
| OAJ | CAO | sing | 1.36Å | 1.37Å | |
| NAI | CAL | doub | 1.30Å | 1.35Å | |
| CAO | CAH | doub | 1.38Å | 1.40Å | Aromatic |
| CAO | CAN | sing | 1.39Å | 1.39Å | Aromatic |
| CAH | CAM | sing | 1.40Å | 1.40Å | Aromatic |
| OAD | CAN | sing | 1.36Å | 1.36Å | |
| CAQ | CAL | sing | 1.46Å | 1.35Å | |
| CAQ | CAE | doub | 1.36Å | 1.35Å | |
| CAN | CAG | doub | 1.39Å | 1.38Å | Aromatic |
| CAL | NAB | sing | 1.38Å | 1.34Å | |
| CAM | CAE | sing | 1.47Å | 1.41Å | |
| CAM | CAF | doub | 1.40Å | 1.39Å | Aromatic |
| CAG | CAF | sing | 1.38Å | 1.39Å | Aromatic |
| CAA | H1 | sing | 1.09Å | 1.10Å | |
| CAA | H2 | sing | 1.09Å | 1.10Å | |
| CAA | H3 | sing | 1.09Å | 1.10Å | |
| CAE | H4 | sing | 1.08Å | 1.08Å | |
| CAF | H6 | sing | 1.08Å | 1.08Å | |
| CAG | H7 | sing | 1.08Å | 1.08Å | |
| CAH | H8 | sing | 1.08Å | 1.08Å | |
| NAB | H9 | sing | 0.97Å | 1.00Å | |
| NAB | H10 | sing | 0.97Å | 1.00Å | |
| OAD | H11 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OAC | CAP | SAK | 125.9° | 126.7° |
| OAC | CAP | NAI | 124.4° | 126.7° |
| CAA | OAJ | CAO | 113.9° | 117.0° |
| OAJ | CAA | H1 | 109.5° | 109.5° |
| OAJ | CAA | H2 | 109.4° | 109.4° |
| OAJ | CAA | H3 | 109.5° | 109.5° |
| SAK | CAP | NAI | 109.8° | 106.6° |
| CAP | SAK | CAQ | 93.5° | 94.2° |
| CAP | NAI | CAL | 113.7° | 120.2° |
| SAK | CAQ | CAL | 108.3° | 103.7° |
| SAK | CAQ | CAE | 130.3° | 128.1° |
| OAJ | CAO | CAH | 123.6° | 120.0° |
| OAJ | CAO | CAN | 115.9° | 120.0° |
| NAI | CAL | CAQ | 114.6° | 115.3° |
| NAI | CAL | NAB | 119.5° | 122.4° |
| CAH | CAO | CAN | 120.4° | 120.1° |
| CAO | CAH | CAM | 119.9° | 119.8° |
| CAO | CAH | H8 | 120.0° | 120.1° |
| CAO | CAN | OAD | 117.2° | 119.9° |
| CAO | CAN | CAG | 120.5° | 120.2° |
| CAH | CAM | CAE | 125.4° | 120.1° |
| CAH | CAM | CAF | 118.2° | 119.8° |
| CAM | CAH | H8 | 120.1° | 120.1° |
| OAD | CAN | CAG | 122.3° | 119.9° |
| CAN | OAD | H11 | 109.5° | 114.0° |
| CAL | CAQ | CAE | 121.3° | 128.2° |
| CAQ | CAL | NAB | 125.8° | 122.4° |
| CAQ | CAE | CAM | 124.4° | 120.0° |
| CAQ | CAE | H4 | 117.8° | 120.0° |
| CAN | CAG | CAF | 118.7° | 120.2° |
| CAN | CAG | H7 | 120.7° | 119.9° |
| CAL | NAB | H9 | 120.0° | 120.0° |
| CAL | NAB | H10 | 120.0° | 120.0° |
| CAE | CAM | CAF | 116.3° | 120.1° |
| CAM | CAE | H4 | 117.8° | 120.0° |
| CAM | CAF | CAG | 122.3° | 119.9° |
| CAM | CAF | H6 | 118.9° | 120.1° |
| CAG | CAF | H6 | 118.9° | 120.0° |
| CAF | CAG | H7 | 120.7° | 119.9° |
| H1 | CAA | H2 | 109.5° | 109.4° |
| H1 | CAA | H3 | 109.5° | 109.5° |
| H2 | CAA | H3 | 109.4° | 109.5° |
| H9 | NAB | H10 | 119.9° | 120.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OAC | CAP | SAK | NAI | 179.3° | 179.9° |
| OAC | CAP | SAK | CAQ | 179.9° | 180.0° |
| OAC | CAP | NAI | CAL | 179.9° | 179.8° |
| CAA | OAJ | CAO | CAH | 12.9° | 0.1° |
| CAA | OAJ | CAO | CAN | 167.0° | 179.7° |
| OAJ | CAA | H1 | H2 | 120.0° | 119.9° |
| OAJ | CAA | H1 | H3 | 120.0° | 120.1° |
| OAJ | CAA | H2 | H3 | 120.0° | 120.0° |
| SAK | CAP | NAI | CAL | 0.7° | 0.1° |
| CAP | SAK | CAQ | CAL | 0.8° | 0.2° |
| CAP | SAK | CAQ | CAE | 179.7° | 179.8° |
| NAI | CAP | SAK | CAQ | 0.8° | 0.0° |
| CAP | NAI | CAL | CAQ | 0.1° | 0.3° |
| CAP | NAI | CAL | NAB | 179.8° | 180.0° |
| SAK | CAQ | CAL | NAI | 0.5° | 0.3° |
| SAK | CAQ | CAL | CAE | 179.0° | 179.9° |
| SAK | CAQ | CAL | NAB | 179.6° | 180.0° |
| SAK | CAQ | CAE | CAM | 2.4° | 7.3° |
| SAK | CAQ | CAE | H4 | 177.6° | 172.7° |
| OAJ | CAO | CAH | CAN | 179.8° | 179.7° |
| OAJ | CAO | CAH | CAM | 179.0° | 180.0° |
| OAJ | CAO | CAN | OAD | 0.2° | 0.0° |
| OAJ | CAO | CAN | CAG | 179.7° | 180.0° |
| CAO | OAJ | CAA | H1 | 180.0° | 59.9° |
| CAO | OAJ | CAA | H2 | 60.0° | 60.0° |
| CAO | OAJ | CAA | H3 | 60.0° | 180.0° |
| OAJ | CAO | CAH | H8 | 1.0° | 0.0° |
| NAI | CAL | CAQ | NAB | 179.9° | 179.7° |
| NAI | CAL | CAQ | CAE | 179.5° | 179.7° |
| NAI | CAL | NAB | H9 | 0.0° | 179.7° |
| NAI | CAL | NAB | H10 | 180.0° | 0.3° |
| CAO | CAH | CAM | H8 | 180.0° | 180.0° |
| CAH | CAO | CAN | OAD | 179.9° | 179.7° |
| CAH | CAO | CAN | CAG | 0.2° | 0.3° |
| CAO | CAH | CAM | CAE | 178.7° | 180.0° |
| CAO | CAH | CAM | CAF | 1.2° | 0.0° |
| CAN | CAO | CAH | CAM | 0.8° | 0.3° |
| CAO | CAN | OAD | CAG | 179.9° | 180.0° |
| CAO | CAN | CAG | CAF | 0.1° | 0.0° |
| CAO | CAN | CAG | H7 | 179.9° | 180.0° |
| CAN | CAO | CAH | H8 | 179.1° | 179.7° |
| CAO | CAN | OAD | H11 | 180.0° | 90.0° |
| CAH | CAM | CAE | CAQ | 32.6° | 159.2° |
| CAH | CAM | CAE | CAF | 177.5° | 179.9° |
| CAH | CAM | CAF | CAG | 0.9° | 0.2° |
| CAH | CAM | CAE | H4 | 147.4° | 20.8° |
| CAH | CAM | CAF | H6 | 179.1° | 180.0° |
| OAD | CAN | CAG | CAF | 179.8° | 180.0° |
| OAD | CAN | CAG | H7 | 0.3° | 0.0° |
| CAL | CAQ | CAE | CAM | 178.8° | 172.8° |
| CAL | CAQ | CAE | H4 | 1.2° | 7.2° |
| CAQ | CAL | NAB | H9 | 179.9° | 0.0° |
| CAQ | CAL | NAB | H10 | 0.1° | 180.0° |
| CAE | CAQ | CAL | NAB | 0.5° | 0.0° |
| CAQ | CAE | CAM | H4 | 180.0° | 180.0° |
| CAQ | CAE | CAM | CAF | 149.9° | 20.8° |
| CAN | CAG | CAF | CAM | 0.3° | 0.2° |
| CAN | CAG | CAF | H7 | 180.0° | 180.0° |
| CAN | CAG | CAF | H6 | 179.7° | 180.0° |
| CAG | CAN | OAD | H11 | 0.1° | 90.0° |
| CAL | NAB | H9 | H10 | 180.0° | 180.0° |
| CAE | CAM | CAF | CAG | 178.6° | 179.7° |
| CAE | CAM | CAF | H6 | 1.4° | 0.1° |
| CAE | CAM | CAH | H8 | 1.3° | 0.1° |
| CAM | CAF | CAG | H6 | 180.0° | 179.8° |
| CAF | CAM | CAE | H4 | 30.1° | 159.2° |
| CAM | CAF | CAG | H7 | 179.8° | 179.8° |
| CAF | CAM | CAH | H8 | 178.8° | 180.0° |
| H1 | CAA | H2 | H3 | 120.0° | 120.0° |
| H6 | CAF | CAG | H7 | 0.3° | 0.0° |
