OUL
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OAC | CAB | doub | 1.22Å | 1.24Å | |
| CAE | CAF | doub | 1.38Å | 1.40Å | Aromatic |
| CAE | CAD | sing | 1.40Å | 1.40Å | Aromatic |
| CAB | NAA | sing | 1.35Å | 1.34Å | |
| CAB | CAD | sing | 1.48Å | 1.42Å | |
| CAF | CAG | sing | 1.39Å | 1.40Å | Aromatic |
| CAD | CAS | doub | 1.40Å | 1.40Å | Aromatic |
| CAG | OAH | sing | 1.36Å | 1.40Å | |
| CAG | CAR | doub | 1.39Å | 1.41Å | Aromatic |
| CAS | CAR | sing | 1.38Å | 1.41Å | Aromatic |
| OAH | CAI | sing | 1.36Å | 1.36Å | |
| CAN | CAI | doub | 1.39Å | 1.40Å | Aromatic |
| CAN | CAM | sing | 1.38Å | 1.41Å | Aromatic |
| CAI | CAJ | sing | 1.39Å | 1.38Å | Aromatic |
| CAM | CAL | doub | 1.40Å | 1.40Å | Aromatic |
| CAJ | CAK | doub | 1.38Å | 1.38Å | Aromatic |
| CAL | CAK | sing | 1.40Å | 1.39Å | Aromatic |
| CAL | CAO | sing | 1.48Å | 1.41Å | |
| OAQ | CAO | doub | 1.22Å | 1.24Å | |
| CAO | NAP | sing | 1.35Å | 1.33Å | |
| CAF | H1 | sing | 1.08Å | 1.08Å | |
| CAE | H2 | sing | 1.08Å | 1.08Å | |
| NAA | H3 | sing | 0.97Å | 1.00Å | |
| NAA | H4 | sing | 0.97Å | 1.00Å | |
| CAS | H5 | sing | 1.08Å | 1.08Å | |
| CAR | H6 | sing | 1.08Å | 1.08Å | |
| CAJ | H7 | sing | 1.08Å | 1.08Å | |
| CAK | H8 | sing | 1.08Å | 1.08Å | |
| NAP | H9 | sing | 0.97Å | 1.00Å | |
| NAP | H10 | sing | 0.97Å | 1.00Å | |
| CAM | H11 | sing | 1.08Å | 1.08Å | |
| CAN | H12 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OAC | CAB | NAA | 122.2° | 120.0° |
| OAC | CAB | CAD | 121.3° | 120.0° |
| CAF | CAE | CAD | 120.8° | 119.9° |
| CAE | CAF | CAG | 120.0° | 120.1° |
| CAE | CAF | H1 | 120.0° | 119.9° |
| CAF | CAE | H2 | 119.6° | 120.0° |
| CAE | CAD | CAB | 119.5° | 120.1° |
| CAE | CAD | CAS | 119.2° | 119.8° |
| CAD | CAE | H2 | 119.6° | 120.1° |
| NAA | CAB | CAD | 116.1° | 120.0° |
| CAB | NAA | H3 | 120.0° | 120.0° |
| CAB | NAA | H4 | 120.0° | 120.0° |
| CAB | CAD | CAS | 121.3° | 120.1° |
| CAF | CAG | OAH | 121.0° | 119.9° |
| CAF | CAG | CAR | 119.2° | 120.2° |
| CAG | CAF | H1 | 120.0° | 120.0° |
| CAD | CAS | CAR | 120.4° | 119.9° |
| CAD | CAS | H5 | 119.8° | 120.0° |
| OAH | CAG | CAR | 119.7° | 119.9° |
| CAG | OAH | CAI | 127.1° | 118.0° |
| CAG | CAR | CAS | 120.3° | 120.1° |
| CAG | CAR | H6 | 119.8° | 120.0° |
| CAR | CAS | H5 | 119.8° | 120.1° |
| CAS | CAR | H6 | 119.9° | 120.0° |
| OAH | CAI | CAN | 118.2° | 119.9° |
| OAH | CAI | CAJ | 120.1° | 119.9° |
| CAI | CAN | CAM | 117.5° | 120.0° |
| CAN | CAI | CAJ | 121.5° | 120.2° |
| CAI | CAN | H12 | 121.3° | 120.0° |
| CAN | CAM | CAL | 121.4° | 120.0° |
| CAN | CAM | H11 | 119.3° | 120.0° |
| CAM | CAN | H12 | 121.2° | 120.0° |
| CAI | CAJ | CAK | 120.1° | 120.1° |
| CAI | CAJ | H7 | 120.0° | 119.9° |
| CAM | CAL | CAK | 118.5° | 119.8° |
| CAM | CAL | CAO | 120.8° | 120.1° |
| CAL | CAM | H11 | 119.3° | 120.0° |
| CAJ | CAK | CAL | 120.9° | 119.9° |
| CAK | CAJ | H7 | 119.9° | 119.9° |
| CAJ | CAK | H8 | 119.5° | 120.0° |
| CAK | CAL | CAO | 120.6° | 120.1° |
| CAL | CAK | H8 | 119.5° | 120.0° |
| CAL | CAO | OAQ | 120.4° | 120.0° |
| CAL | CAO | NAP | 118.1° | 120.0° |
| OAQ | CAO | NAP | 121.5° | 120.0° |
| CAO | NAP | H9 | 120.0° | 119.9° |
| CAO | NAP | H10 | 120.0° | 120.0° |
| H3 | NAA | H4 | 120.0° | 120.0° |
| H9 | NAP | H10 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OAC | CAB | CAD | CAE | 7.4° | 0.0° |
| OAC | CAB | NAA | CAD | 172.8° | 180.0° |
| OAC | CAB | CAD | CAS | 173.6° | 180.0° |
| OAC | CAB | NAA | H3 | 0.0° | 180.0° |
| OAC | CAB | NAA | H4 | 180.0° | 0.0° |
| CAF | CAE | CAD | H2 | 180.0° | 180.0° |
| CAF | CAE | CAD | CAB | 179.7° | 180.0° |
| CAE | CAF | CAG | H1 | 180.0° | 179.7° |
| CAF | CAE | CAD | CAS | 0.7° | 0.0° |
| CAE | CAF | CAG | OAH | 176.5° | 179.8° |
| CAE | CAF | CAG | CAR | 1.2° | 0.0° |
| CAE | CAD | CAB | NAA | 165.5° | 180.0° |
| CAE | CAD | CAB | CAS | 179.0° | 180.0° |
| CAD | CAE | CAF | CAG | 0.3° | 0.0° |
| CAE | CAD | CAS | CAR | 0.7° | 0.1° |
| CAD | CAE | CAF | H1 | 179.7° | 179.8° |
| CAE | CAD | CAS | H5 | 179.3° | 180.0° |
| NAA | CAB | CAD | CAS | 13.6° | 0.0° |
| CAB | NAA | H3 | H4 | 180.0° | 180.0° |
| CAB | CAD | CAS | CAR | 179.7° | 179.9° |
| CAB | CAD | CAE | H2 | 0.2° | 0.1° |
| CAD | CAB | NAA | H3 | 172.8° | 0.0° |
| CAD | CAB | NAA | H4 | 7.2° | 180.0° |
| CAB | CAD | CAS | H5 | 0.2° | 0.0° |
| CAF | CAG | OAH | CAR | 175.4° | 179.8° |
| CAF | CAG | CAR | CAS | 1.1° | 0.0° |
| CAF | CAG | OAH | CAI | 69.3° | 67.4° |
| CAG | CAF | CAE | H2 | 179.8° | 180.0° |
| CAF | CAG | CAR | H6 | 178.9° | 180.0° |
| CAD | CAS | CAR | CAG | 0.2° | 0.0° |
| CAD | CAS | CAR | H5 | 180.0° | 179.9° |
| CAS | CAD | CAE | H2 | 179.3° | 179.9° |
| CAD | CAS | CAR | H6 | 179.8° | 180.0° |
| OAH | CAG | CAR | CAS | 176.6° | 179.8° |
| CAG | OAH | CAI | CAN | 145.2° | 174.1° |
| CAG | OAH | CAI | CAJ | 38.6° | 6.1° |
| OAH | CAG | CAF | H1 | 3.4° | 0.0° |
| OAH | CAG | CAR | H6 | 3.4° | 0.2° |
| CAG | CAR | CAS | H6 | 180.0° | 180.0° |
| CAR | CAG | OAH | CAI | 115.3° | 112.9° |
| CAR | CAG | CAF | H1 | 178.8° | 179.8° |
| CAG | CAR | CAS | H5 | 179.8° | 180.0° |
| OAH | CAI | CAN | CAJ | 176.1° | 179.7° |
| OAH | CAI | CAN | CAM | 177.9° | 179.7° |
| OAH | CAI | CAJ | CAK | 177.1° | 180.0° |
| OAH | CAI | CAJ | H7 | 2.9° | 0.0° |
| OAH | CAI | CAN | H12 | 2.1° | 0.0° |
| CAI | CAN | CAM | H12 | 180.0° | 179.8° |
| CAI | CAN | CAM | CAL | 1.5° | 0.6° |
| CAN | CAI | CAJ | CAK | 1.1° | 0.2° |
| CAN | CAI | CAJ | H7 | 178.9° | 179.7° |
| CAI | CAN | CAM | H11 | 178.5° | 179.8° |
| CAM | CAN | CAI | CAJ | 1.8° | 0.5° |
| CAN | CAM | CAL | H11 | 180.0° | 179.7° |
| CAN | CAM | CAL | CAK | 0.5° | 0.3° |
| CAN | CAM | CAL | CAO | 177.9° | 179.7° |
| CAI | CAJ | CAK | H7 | 180.0° | 179.9° |
| CAI | CAJ | CAK | CAL | 0.0° | 0.1° |
| CAI | CAJ | CAK | H8 | 180.0° | 180.0° |
| CAJ | CAI | CAN | H12 | 178.2° | 179.7° |
| CAM | CAL | CAK | CAJ | 0.3° | 0.0° |
| CAM | CAL | CAK | CAO | 177.4° | 180.0° |
| CAM | CAL | CAO | OAQ | 29.9° | 180.0° |
| CAM | CAL | CAO | NAP | 151.3° | 0.0° |
| CAM | CAL | CAK | H8 | 179.7° | 180.0° |
| CAL | CAM | CAN | H12 | 178.5° | 179.7° |
| CAJ | CAK | CAL | H8 | 180.0° | 179.9° |
| CAJ | CAK | CAL | CAO | 177.1° | 180.0° |
| CAK | CAL | CAO | OAQ | 147.4° | 0.0° |
| CAK | CAL | CAO | NAP | 31.4° | 180.0° |
| CAL | CAK | CAJ | H7 | 180.0° | 180.0° |
| CAK | CAL | CAM | H11 | 179.5° | 180.0° |
| CAL | CAO | OAQ | NAP | 178.8° | 180.0° |
| CAO | CAL | CAK | H8 | 2.9° | 0.1° |
| CAL | CAO | NAP | H9 | 178.8° | 0.0° |
| CAL | CAO | NAP | H10 | 1.2° | 180.0° |
| CAO | CAL | CAM | H11 | 2.1° | 0.0° |
| OAQ | CAO | NAP | H9 | 0.0° | 180.0° |
| OAQ | CAO | NAP | H10 | 180.0° | 0.1° |
| CAO | NAP | H9 | H10 | 180.0° | 179.9° |
| H1 | CAF | CAE | H2 | 0.2° | 0.3° |
| H5 | CAS | CAR | H6 | 0.2° | 0.1° |
| H7 | CAJ | CAK | H8 | 0.0° | 0.1° |
| H11 | CAM | CAN | H12 | 1.5° | 0.0° |
