1UW
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAT | CAQ | doub | 1.38Å | 1.40Å | Aromatic |
| CAT | CAU | sing | 1.39Å | 1.40Å | Aromatic |
| CAQ | CAE | sing | 1.39Å | 1.40Å | Aromatic |
| CAU | CAR | doub | 1.38Å | 1.39Å | Aromatic |
| OAJ | CAD | doub | 1.22Å | 1.24Å | |
| CAE | CAD | sing | 1.48Å | 1.41Å | |
| CAE | CAF | doub | 1.40Å | 1.40Å | Aromatic |
| CAD | CAB | sing | 1.42Å | 1.40Å | |
| CAR | CAF | sing | 1.39Å | 1.41Å | Aromatic |
| CAF | OAC | sing | 1.35Å | 1.38Å | |
| CAB | CAA | doub | 1.36Å | 1.40Å | |
| OAC | CAA | sing | 1.34Å | 1.37Å | |
| CAA | CAH | sing | 1.48Å | 1.42Å | |
| CAH | CAL | doub | 1.40Å | 1.40Å | Aromatic |
| CAH | CAM | sing | 1.40Å | 1.41Å | Aromatic |
| CAL | CAN | sing | 1.38Å | 1.40Å | Aromatic |
| CAM | CAO | doub | 1.38Å | 1.39Å | Aromatic |
| CAN | CAI | doub | 1.40Å | 1.40Å | Aromatic |
| CAO | CAI | sing | 1.40Å | 1.41Å | Aromatic |
| CAI | CAG | sing | 1.48Å | 1.43Å | |
| CAG | OAK | doub | 1.21Å | 1.23Å | |
| CAG | OAP | sing | 1.35Å | 1.37Å | |
| OAP | CAS | sing | 1.45Å | 1.44Å | |
| CAS | CAV | sing | 1.53Å | 1.53Å | |
| CAV | H1 | sing | 1.09Å | 1.10Å | |
| CAV | H2 | sing | 1.09Å | 1.10Å | |
| CAV | H3 | sing | 1.09Å | 1.10Å | |
| CAS | H4 | sing | 1.09Å | 1.10Å | |
| CAS | H5 | sing | 1.09Å | 1.10Å | |
| CAO | H6 | sing | 1.08Å | 1.08Å | |
| CAM | H7 | sing | 1.08Å | 1.08Å | |
| CAN | H8 | sing | 1.08Å | 1.08Å | |
| CAL | H9 | sing | 1.08Å | 1.08Å | |
| CAR | H10 | sing | 1.08Å | 1.08Å | |
| CAU | H11 | sing | 1.08Å | 1.08Å | |
| CAT | H12 | sing | 1.08Å | 1.08Å | |
| CAQ | H13 | sing | 1.08Å | 1.08Å | |
| CAB | H14 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAQ | CAT | CAU | 120.4° | 120.3° |
| CAT | CAQ | CAE | 120.4° | 119.5° |
| CAQ | CAT | H12 | 119.8° | 119.9° |
| CAT | CAQ | H13 | 119.8° | 120.2° |
| CAT | CAU | CAR | 119.7° | 120.7° |
| CAT | CAU | H11 | 120.1° | 119.6° |
| CAU | CAT | H12 | 119.8° | 119.8° |
| CAQ | CAE | CAD | 122.0° | 121.3° |
| CAQ | CAE | CAF | 118.4° | 120.2° |
| CAE | CAQ | H13 | 119.8° | 120.2° |
| CAU | CAR | CAF | 119.1° | 119.9° |
| CAU | CAR | H10 | 120.4° | 120.1° |
| CAR | CAU | H11 | 120.2° | 119.6° |
| OAJ | CAD | CAE | 121.0° | 121.4° |
| OAJ | CAD | CAB | 119.5° | 121.3° |
| CAD | CAE | CAF | 119.5° | 118.5° |
| CAE | CAD | CAB | 119.4° | 117.3° |
| CAE | CAF | CAR | 121.9° | 119.3° |
| CAE | CAF | OAC | 119.1° | 119.8° |
| CAD | CAB | CAA | 120.3° | 119.5° |
| CAD | CAB | H14 | 119.8° | 120.2° |
| CAR | CAF | OAC | 119.0° | 120.9° |
| CAF | CAR | H10 | 120.5° | 120.0° |
| CAF | OAC | CAA | 122.9° | 122.4° |
| CAB | CAA | OAC | 118.4° | 122.6° |
| CAB | CAA | CAH | 127.6° | 118.7° |
| CAA | CAB | H14 | 119.9° | 120.3° |
| OAC | CAA | CAH | 113.9° | 118.7° |
| CAA | CAH | CAL | 123.9° | 120.0° |
| CAA | CAH | CAM | 119.3° | 120.0° |
| CAL | CAH | CAM | 116.8° | 120.0° |
| CAH | CAL | CAN | 121.3° | 120.0° |
| CAH | CAL | H9 | 119.3° | 120.0° |
| CAH | CAM | CAO | 121.5° | 120.0° |
| CAH | CAM | H7 | 119.3° | 120.0° |
| CAL | CAN | CAI | 121.8° | 120.0° |
| CAL | CAN | H8 | 119.1° | 120.0° |
| CAN | CAL | H9 | 119.3° | 120.0° |
| CAM | CAO | CAI | 121.9° | 120.0° |
| CAM | CAO | H6 | 119.0° | 120.0° |
| CAO | CAM | H7 | 119.3° | 120.0° |
| CAN | CAI | CAO | 116.6° | 120.0° |
| CAN | CAI | CAG | 123.3° | 120.0° |
| CAI | CAN | H8 | 119.1° | 120.0° |
| CAO | CAI | CAG | 120.1° | 119.9° |
| CAI | CAO | H6 | 119.0° | 120.1° |
| CAI | CAG | OAK | 124.0° | 120.1° |
| CAI | CAG | OAP | 114.6° | 120.0° |
| OAK | CAG | OAP | 120.3° | 120.0° |
| CAG | OAP | CAS | 121.4° | 117.0° |
| OAP | CAS | CAV | 105.9° | 109.5° |
| OAP | CAS | H4 | 110.4° | 109.4° |
| OAP | CAS | H5 | 110.4° | 109.5° |
| CAS | CAV | H1 | 109.5° | 109.5° |
| CAS | CAV | H2 | 109.5° | 109.5° |
| CAS | CAV | H3 | 109.5° | 109.4° |
| CAV | CAS | H4 | 110.3° | 109.5° |
| CAV | CAS | H5 | 110.4° | 109.5° |
| H1 | CAV | H2 | 109.4° | 109.5° |
| H1 | CAV | H3 | 109.4° | 109.5° |
| H2 | CAV | H3 | 109.5° | 109.5° |
| H4 | CAS | H5 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAQ | CAT | CAU | H12 | 180.0° | 180.0° |
| CAT | CAQ | CAE | H13 | 180.0° | 180.0° |
| CAQ | CAT | CAU | CAR | 0.3° | 0.0° |
| CAT | CAQ | CAE | CAD | 178.5° | 179.9° |
| CAT | CAQ | CAE | CAF | 2.8° | 0.0° |
| CAQ | CAT | CAU | H11 | 179.7° | 180.0° |
| CAU | CAT | CAQ | CAE | 1.0° | 0.0° |
| CAT | CAU | CAR | H11 | 180.0° | 180.0° |
| CAT | CAU | CAR | CAF | 0.2° | 0.0° |
| CAT | CAU | CAR | H10 | 179.7° | 180.0° |
| CAU | CAT | CAQ | H13 | 179.0° | 180.0° |
| CAQ | CAE | CAD | OAJ | 4.1° | 0.1° |
| CAQ | CAE | CAD | CAF | 175.7° | 179.9° |
| CAQ | CAE | CAD | CAB | 171.8° | 179.8° |
| CAQ | CAE | CAF | CAR | 3.4° | 0.0° |
| CAQ | CAE | CAF | OAC | 177.8° | 179.9° |
| CAE | CAQ | CAT | H12 | 179.0° | 180.0° |
| CAU | CAR | CAF | CAE | 2.1° | 0.0° |
| CAU | CAR | CAF | H10 | 180.0° | 180.0° |
| CAU | CAR | CAF | OAC | 179.1° | 179.9° |
| CAR | CAU | CAT | H12 | 179.7° | 180.0° |
| OAJ | CAD | CAE | CAB | 175.9° | 179.8° |
| OAJ | CAD | CAE | CAF | 179.8° | 180.0° |
| OAJ | CAD | CAB | CAA | 178.9° | 179.8° |
| OAJ | CAD | CAB | H14 | 1.1° | 0.2° |
| CAD | CAE | CAF | CAR | 179.2° | 180.0° |
| CAD | CAE | CAF | OAC | 2.0° | 0.0° |
| CAE | CAD | CAB | CAA | 5.1° | 0.5° |
| CAD | CAE | CAQ | H13 | 1.5° | 0.1° |
| CAE | CAD | CAB | H14 | 174.9° | 179.9° |
| CAF | CAE | CAD | CAB | 3.8° | 0.3° |
| CAE | CAF | CAR | OAC | 178.8° | 180.0° |
| CAE | CAF | OAC | CAA | 7.0° | 0.0° |
| CAE | CAF | CAR | H10 | 177.8° | 180.0° |
| CAF | CAE | CAQ | H13 | 177.2° | 180.0° |
| CAD | CAB | CAA | H14 | 180.0° | 179.6° |
| CAD | CAB | CAA | OAC | 0.5° | 0.4° |
| CAD | CAB | CAA | CAH | 179.8° | 179.8° |
| CAR | CAF | OAC | CAA | 174.2° | 180.0° |
| CAF | CAR | CAU | H11 | 179.8° | 180.0° |
| CAF | OAC | CAA | CAB | 5.7° | 0.2° |
| CAF | OAC | CAA | CAH | 174.1° | 179.9° |
| OAC | CAF | CAR | H10 | 0.9° | 0.0° |
| CAB | CAA | OAC | CAH | 179.8° | 179.8° |
| CAB | CAA | CAH | CAL | 1.6° | 179.8° |
| CAB | CAA | CAH | CAM | 180.0° | 0.6° |
| OAC | CAA | CAH | CAL | 178.1° | 0.0° |
| OAC | CAA | CAH | CAM | 0.3° | 179.7° |
| OAC | CAA | CAB | H14 | 179.6° | 180.0° |
| CAA | CAH | CAL | CAM | 178.4° | 179.7° |
| CAA | CAH | CAL | CAN | 178.7° | 180.0° |
| CAA | CAH | CAM | CAO | 179.4° | 180.0° |
| CAA | CAH | CAM | H7 | 0.6° | 0.1° |
| CAA | CAH | CAL | H9 | 1.3° | 0.0° |
| CAH | CAA | CAB | H14 | 0.2° | 0.2° |
| CAH | CAL | CAN | H9 | 180.0° | 180.0° |
| CAL | CAH | CAM | CAO | 0.9° | 0.3° |
| CAH | CAL | CAN | CAI | 0.4° | 0.0° |
| CAL | CAH | CAM | H7 | 179.2° | 179.7° |
| CAH | CAL | CAN | H8 | 179.6° | 180.0° |
| CAM | CAH | CAL | CAN | 0.3° | 0.3° |
| CAH | CAM | CAO | H7 | 180.0° | 180.0° |
| CAH | CAM | CAO | CAI | 1.6° | 0.0° |
| CAH | CAM | CAO | H6 | 178.4° | 180.0° |
| CAM | CAH | CAL | H9 | 179.7° | 179.7° |
| CAL | CAN | CAI | H8 | 180.0° | 180.0° |
| CAL | CAN | CAI | CAO | 1.0° | 0.3° |
| CAL | CAN | CAI | CAG | 177.8° | 180.0° |
| CAM | CAO | CAI | CAN | 1.6° | 0.3° |
| CAM | CAO | CAI | H6 | 180.0° | 180.0° |
| CAM | CAO | CAI | CAG | 178.6° | 180.0° |
| CAN | CAI | CAO | CAG | 177.0° | 179.7° |
| CAN | CAI | CAG | OAK | 119.3° | 179.7° |
| CAN | CAI | CAG | OAP | 72.3° | 0.3° |
| CAN | CAI | CAO | H6 | 178.4° | 179.7° |
| CAI | CAN | CAL | H9 | 179.6° | 180.0° |
| CAO | CAI | CAG | OAK | 64.0° | 0.1° |
| CAO | CAI | CAG | OAP | 104.5° | 180.0° |
| CAI | CAO | CAM | H7 | 178.4° | 179.9° |
| CAO | CAI | CAN | H8 | 179.0° | 179.7° |
| CAI | CAG | OAK | OAP | 167.8° | 179.9° |
| CAI | CAG | OAP | CAS | 108.5° | 180.0° |
| CAG | CAI | CAO | H6 | 1.5° | 0.0° |
| CAG | CAI | CAN | H8 | 2.2° | 0.0° |
| OAK | CAG | OAP | CAS | 82.6° | 0.1° |
| CAG | OAP | CAS | CAV | 136.0° | 180.0° |
| CAG | OAP | CAS | H4 | 16.5° | 60.0° |
| CAG | OAP | CAS | H5 | 104.6° | 59.9° |
| OAP | CAS | CAV | H4 | 119.5° | 120.0° |
| OAP | CAS | CAV | H5 | 119.4° | 120.0° |
| OAP | CAS | CAV | H1 | 180.0° | 180.0° |
| OAP | CAS | CAV | H2 | 60.0° | 60.0° |
| OAP | CAS | CAV | H3 | 60.0° | 60.0° |
| OAP | CAS | H4 | H5 | 121.7° | 120.0° |
| CAS | CAV | H1 | H2 | 120.0° | 120.0° |
| CAS | CAV | H1 | H3 | 120.0° | 119.9° |
| CAS | CAV | H2 | H3 | 120.0° | 119.9° |
| CAV | CAS | H4 | H5 | 121.6° | 120.0° |
| H1 | CAV | H2 | H3 | 120.0° | 120.1° |
| H1 | CAV | CAS | H4 | 60.6° | 60.0° |
| H1 | CAV | CAS | H5 | 60.6° | 59.9° |
| H2 | CAV | CAS | H4 | 179.5° | 60.0° |
| H2 | CAV | CAS | H5 | 59.4° | 180.0° |
| H3 | CAV | CAS | H4 | 59.4° | 180.0° |
| H3 | CAV | CAS | H5 | 179.5° | 60.0° |
| H6 | CAO | CAM | H7 | 1.5° | 0.0° |
| H8 | CAN | CAL | H9 | 0.4° | 0.0° |
| H10 | CAR | CAU | H11 | 0.3° | 0.0° |
| H11 | CAU | CAT | H12 | 0.3° | 0.0° |
| H12 | CAT | CAQ | H13 | 1.0° | 0.0° |
