OX9
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| IAW | CAE | sing | 2.09Å | 2.07Å | |
| OAV | CAG | doub | 1.22Å | 1.23Å | |
| CAC | CAE | doub | 1.38Å | 1.39Å | Aromatic |
| CAC | CAA | sing | 1.40Å | 1.39Å | Aromatic |
| CAE | CAF | sing | 1.39Å | 1.37Å | Aromatic |
| CLAZ | CAL | sing | 1.74Å | 1.76Å | |
| CAG | CAA | sing | 1.48Å | 1.40Å | |
| CAG | NAH | sing | 1.35Å | 1.35Å | |
| CAA | CAB | doub | 1.40Å | 1.39Å | Aromatic |
| CAJ | CAL | doub | 1.38Å | 1.40Å | Aromatic |
| CAJ | CAI | sing | 1.39Å | 1.40Å | Aromatic |
| CAF | CAD | doub | 1.38Å | 1.36Å | Aromatic |
| CAL | CAN | sing | 1.39Å | 1.38Å | Aromatic |
| NAH | CAI | sing | 1.40Å | 1.35Å | |
| CAI | CAK | doub | 1.39Å | 1.39Å | Aromatic |
| CAB | CAD | sing | 1.39Å | 1.39Å | Aromatic |
| CAB | OAY | sing | 1.36Å | 1.36Å | |
| CAD | IAX | sing | 2.09Å | 2.05Å | |
| CAN | OAO | sing | 1.36Å | 1.36Å | |
| CAN | CAM | doub | 1.39Å | 1.39Å | Aromatic |
| OAO | CAP | sing | 1.36Å | 1.37Å | |
| CAK | CAM | sing | 1.38Å | 1.38Å | Aromatic |
| CAQ | CAP | doub | 1.39Å | 1.39Å | Aromatic |
| CAQ | CAS | sing | 1.38Å | 1.38Å | Aromatic |
| CAP | CAR | sing | 1.39Å | 1.40Å | Aromatic |
| CAS | CAU | doub | 1.38Å | 1.39Å | Aromatic |
| CAR | CAT | doub | 1.38Å | 1.39Å | Aromatic |
| CAU | CAT | sing | 1.38Å | 1.39Å | Aromatic |
| CAU | CLBA | sing | 1.74Å | 1.71Å | |
| CAC | H1 | sing | 1.08Å | 1.08Å | |
| CAF | H2 | sing | 1.08Å | 1.08Å | |
| CAJ | H3 | sing | 1.08Å | 1.08Å | |
| CAK | H4 | sing | 1.08Å | 1.08Å | |
| CAM | H5 | sing | 1.08Å | 1.08Å | |
| CAQ | H6 | sing | 1.08Å | 1.08Å | |
| CAR | H7 | sing | 1.08Å | 1.08Å | |
| CAS | H8 | sing | 1.08Å | 1.08Å | |
| CAT | H9 | sing | 1.08Å | 1.08Å | |
| NAH | H10 | sing | 0.97Å | 1.00Å | |
| OAY | H11 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| IAW | CAE | CAC | 124.8° | 119.9° |
| IAW | CAE | CAF | 114.4° | 119.9° |
| OAV | CAG | CAA | 119.8° | 120.0° |
| OAV | CAG | NAH | 126.3° | 120.0° |
| CAE | CAC | CAA | 120.2° | 119.9° |
| CAC | CAE | CAF | 120.8° | 120.3° |
| CAE | CAC | H1 | 119.9° | 120.0° |
| CAC | CAA | CAG | 118.8° | 120.2° |
| CAC | CAA | CAB | 117.9° | 119.6° |
| CAA | CAC | H1 | 119.9° | 120.0° |
| CAE | CAF | CAD | 120.1° | 120.4° |
| CAE | CAF | H2 | 119.9° | 119.8° |
| CLAZ | CAL | CAJ | 123.0° | 120.0° |
| CLAZ | CAL | CAN | 117.2° | 120.0° |
| CAA | CAG | NAH | 113.9° | 120.0° |
| CAG | CAA | CAB | 123.3° | 120.2° |
| CAG | NAH | CAI | 124.2° | 120.0° |
| CAG | NAH | H10 | 117.9° | 120.0° |
| CAA | CAB | CAD | 121.2° | 119.7° |
| CAA | CAB | OAY | 119.4° | 120.1° |
| CAL | CAJ | CAI | 119.8° | 120.0° |
| CAJ | CAL | CAN | 119.8° | 120.0° |
| CAL | CAJ | H3 | 120.1° | 120.0° |
| CAJ | CAI | NAH | 127.3° | 120.1° |
| CAJ | CAI | CAK | 118.9° | 119.9° |
| CAI | CAJ | H3 | 120.1° | 120.0° |
| CAF | CAD | CAB | 119.8° | 120.1° |
| CAF | CAD | IAX | 113.5° | 119.9° |
| CAD | CAF | H2 | 120.0° | 119.8° |
| CAL | CAN | OAO | 115.4° | 120.0° |
| CAL | CAN | CAM | 120.7° | 120.0° |
| NAH | CAI | CAK | 113.8° | 120.0° |
| CAI | NAH | H10 | 117.9° | 120.0° |
| CAI | CAK | CAM | 121.5° | 120.0° |
| CAI | CAK | H4 | 119.3° | 119.9° |
| CAD | CAB | OAY | 119.4° | 120.1° |
| CAB | CAD | IAX | 126.7° | 120.0° |
| CAB | OAY | H11 | 109.5° | 114.0° |
| OAO | CAN | CAM | 123.9° | 120.0° |
| CAN | OAO | CAP | 119.1° | 118.0° |
| CAN | CAM | CAK | 119.3° | 120.0° |
| CAN | CAM | H5 | 120.4° | 120.0° |
| OAO | CAP | CAQ | 122.2° | 120.0° |
| OAO | CAP | CAR | 118.7° | 120.0° |
| CAM | CAK | H4 | 119.2° | 120.0° |
| CAK | CAM | H5 | 120.3° | 120.0° |
| CAP | CAQ | CAS | 120.3° | 119.9° |
| CAQ | CAP | CAR | 119.2° | 120.0° |
| CAP | CAQ | H6 | 119.8° | 120.1° |
| CAQ | CAS | CAU | 120.5° | 120.1° |
| CAS | CAQ | H6 | 119.9° | 120.0° |
| CAQ | CAS | H8 | 119.8° | 120.0° |
| CAP | CAR | CAT | 120.5° | 119.9° |
| CAP | CAR | H7 | 119.7° | 120.0° |
| CAS | CAU | CAT | 120.0° | 120.0° |
| CAS | CAU | CLBA | 118.9° | 120.0° |
| CAU | CAS | H8 | 119.8° | 119.9° |
| CAR | CAT | CAU | 119.6° | 120.1° |
| CAT | CAR | H7 | 119.8° | 120.1° |
| CAR | CAT | H9 | 120.2° | 120.0° |
| CAT | CAU | CLBA | 121.1° | 120.0° |
| CAU | CAT | H9 | 120.2° | 119.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| IAW | CAE | CAC | CAF | 179.9° | 180.0° |
| IAW | CAE | CAC | CAA | 180.0° | 180.0° |
| IAW | CAE | CAF | CAD | 179.2° | 180.0° |
| IAW | CAE | CAC | H1 | 0.1° | 0.0° |
| IAW | CAE | CAF | H2 | 0.8° | 0.1° |
| OAV | CAG | CAA | CAC | 6.2° | 179.7° |
| OAV | CAG | CAA | NAH | 179.4° | 179.9° |
| OAV | CAG | CAA | CAB | 175.4° | 0.0° |
| OAV | CAG | NAH | CAI | 4.2° | 4.0° |
| OAV | CAG | NAH | H10 | 175.8° | 175.9° |
| CAE | CAC | CAA | H1 | 180.0° | 180.0° |
| CAE | CAC | CAA | CAG | 179.6° | 179.8° |
| CAE | CAC | CAA | CAB | 1.1° | 0.0° |
| CAC | CAE | CAF | CAD | 0.7° | 0.0° |
| CAC | CAE | CAF | H2 | 179.3° | 179.9° |
| CAA | CAC | CAE | CAF | 0.1° | 0.0° |
| CAC | CAA | CAG | CAB | 178.4° | 179.8° |
| CAC | CAA | CAG | NAH | 173.1° | 0.2° |
| CAC | CAA | CAB | CAD | 1.3° | 0.0° |
| CAC | CAA | CAB | OAY | 179.6° | 180.0° |
| CAE | CAF | CAD | H2 | 180.0° | 179.9° |
| CAE | CAF | CAD | CAB | 0.6° | 0.0° |
| CAE | CAF | CAD | IAX | 179.4° | 180.0° |
| CAF | CAE | CAC | H1 | 179.8° | 180.0° |
| CLAZ | CAL | CAJ | CAN | 179.2° | 179.9° |
| CLAZ | CAL | CAJ | CAI | 179.2° | 180.0° |
| CLAZ | CAL | CAN | OAO | 0.1° | 0.1° |
| CLAZ | CAL | CAN | CAM | 178.5° | 180.0° |
| CLAZ | CAL | CAJ | H3 | 0.8° | 0.1° |
| CAA | CAG | NAH | CAI | 175.1° | 175.9° |
| CAG | CAA | CAB | CAD | 179.7° | 179.8° |
| CAG | CAA | CAB | OAY | 1.2° | 0.3° |
| CAG | CAA | CAC | H1 | 0.4° | 0.3° |
| CAA | CAG | NAH | H10 | 4.8° | 4.1° |
| NAH | CAG | CAA | CAB | 5.2° | 180.0° |
| CAG | NAH | CAI | CAJ | 24.1° | 35.5° |
| CAG | NAH | CAI | H10 | 180.0° | 180.0° |
| CAG | NAH | CAI | CAK | 154.8° | 144.8° |
| CAA | CAB | CAD | CAF | 0.5° | 0.0° |
| CAA | CAB | CAD | OAY | 179.1° | 180.0° |
| CAA | CAB | CAD | IAX | 179.6° | 180.0° |
| CAB | CAA | CAC | H1 | 178.9° | 180.0° |
| CAA | CAB | OAY | H11 | 180.0° | 90.0° |
| CAL | CAJ | CAI | H3 | 180.0° | 180.0° |
| CAL | CAJ | CAI | NAH | 178.5° | 179.7° |
| CAL | CAJ | CAI | CAK | 0.3° | 0.0° |
| CAJ | CAL | CAN | OAO | 179.1° | 180.0° |
| CAJ | CAL | CAN | CAM | 0.7° | 0.1° |
| CAI | CAJ | CAL | CAN | 0.0° | 0.1° |
| CAJ | CAI | NAH | CAK | 178.9° | 179.7° |
| CAJ | CAI | CAK | CAM | 0.2° | 0.0° |
| CAJ | CAI | CAK | H4 | 179.9° | 180.0° |
| CAJ | CAI | NAH | H10 | 155.9° | 144.5° |
| CAF | CAD | CAB | IAX | 180.0° | 180.0° |
| CAF | CAD | CAB | OAY | 179.6° | 180.0° |
| CAL | CAN | OAO | CAM | 178.4° | 179.9° |
| CAL | CAN | OAO | CAP | 140.5° | 174.2° |
| CAL | CAN | CAM | CAK | 1.1° | 0.1° |
| CAN | CAL | CAJ | H3 | 180.0° | 180.0° |
| CAL | CAN | CAM | H5 | 178.9° | 179.9° |
| NAH | CAI | CAK | CAM | 179.1° | 179.7° |
| NAH | CAI | CAJ | H3 | 1.4° | 0.3° |
| NAH | CAI | CAK | H4 | 0.9° | 0.3° |
| CAI | CAK | CAM | CAN | 0.9° | 0.0° |
| CAI | CAK | CAM | H4 | 180.0° | 180.0° |
| CAK | CAI | CAJ | H3 | 179.7° | 180.0° |
| CAI | CAK | CAM | H5 | 179.2° | 180.0° |
| CAK | CAI | NAH | H10 | 25.2° | 35.2° |
| CAB | CAD | CAF | H2 | 179.4° | 179.9° |
| CAD | CAB | OAY | H11 | 0.9° | 90.0° |
| OAY | CAB | CAD | IAX | 0.4° | 0.0° |
| IAX | CAD | CAF | H2 | 0.6° | 0.1° |
| OAO | CAN | CAM | CAK | 179.4° | 180.0° |
| CAN | OAO | CAP | CAQ | 43.1° | 67.1° |
| CAN | OAO | CAP | CAR | 138.0° | 113.2° |
| OAO | CAN | CAM | H5 | 0.6° | 0.0° |
| CAM | CAN | OAO | CAP | 41.1° | 5.9° |
| CAN | CAM | CAK | H5 | 180.0° | 180.0° |
| CAN | CAM | CAK | H4 | 179.2° | 180.0° |
| OAO | CAP | CAQ | CAR | 178.9° | 179.7° |
| OAO | CAP | CAQ | CAS | 179.3° | 179.7° |
| OAO | CAP | CAR | CAT | 179.4° | 179.7° |
| OAO | CAP | CAQ | H6 | 0.7° | 0.3° |
| OAO | CAP | CAR | H7 | 0.6° | 0.3° |
| CAP | CAQ | CAS | H6 | 180.0° | 180.0° |
| CAP | CAQ | CAS | CAU | 0.3° | 0.0° |
| CAQ | CAP | CAR | CAT | 0.5° | 0.0° |
| CAQ | CAP | CAR | H7 | 179.5° | 180.0° |
| CAP | CAQ | CAS | H8 | 179.7° | 180.0° |
| CAS | CAQ | CAP | CAR | 0.5° | 0.0° |
| CAQ | CAS | CAU | H8 | 180.0° | 180.0° |
| CAQ | CAS | CAU | CAT | 0.1° | 0.0° |
| CAQ | CAS | CAU | CLBA | 180.0° | 180.0° |
| CAP | CAR | CAT | H7 | 180.0° | 180.0° |
| CAP | CAR | CAT | CAU | 0.3° | 0.0° |
| CAR | CAP | CAQ | H6 | 179.5° | 180.0° |
| CAP | CAR | CAT | H9 | 179.7° | 180.0° |
| CAS | CAU | CAT | CAR | 0.1° | 0.0° |
| CAS | CAU | CAT | CLBA | 179.9° | 180.0° |
| CAU | CAS | CAQ | H6 | 179.7° | 180.0° |
| CAS | CAU | CAT | H9 | 179.9° | 180.0° |
| CAR | CAT | CAU | H9 | 180.0° | 180.0° |
| CAR | CAT | CAU | CLBA | 180.0° | 180.0° |
| CAU | CAT | CAR | H7 | 179.7° | 180.0° |
| CAT | CAU | CAS | H8 | 179.9° | 180.0° |
| CLBA | CAU | CAS | H8 | 0.1° | 0.0° |
| CLBA | CAU | CAT | H9 | 0.0° | 0.0° |
| H4 | CAK | CAM | H5 | 0.8° | 0.0° |
| H6 | CAQ | CAS | H8 | 0.3° | 0.0° |
| H7 | CAR | CAT | H9 | 0.3° | 0.0° |
