UR0
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OAK | CAI | doub | 1.21Å | 1.23Å | |
| CAH | CAI | sing | 1.41Å | 1.54Å | |
| CAH | CAG | doub | 1.36Å | 1.52Å | |
| CAI | CAJ | sing | 1.51Å | 1.54Å | |
| CAB | CAC | doub | 1.38Å | 1.40Å | Aromatic |
| CAB | CAA | sing | 1.39Å | 1.39Å | Aromatic |
| CAC | CAD | sing | 1.40Å | 1.39Å | Aromatic |
| OAU | CAA | sing | 1.36Å | 1.35Å | |
| CAA | CAF | doub | 1.39Å | 1.38Å | Aromatic |
| CAD | CAG | sing | 1.47Å | 1.39Å | |
| CAD | CAE | doub | 1.40Å | 1.39Å | Aromatic |
| CAJ | CAL | sing | 1.53Å | 1.55Å | |
| CAF | CAE | sing | 1.38Å | 1.39Å | Aromatic |
| CAL | CAM | sing | 1.51Å | 1.54Å | |
| CAM | CAN | doub | 1.33Å | 1.53Å | |
| CAN | CAO | sing | 1.48Å | 1.40Å | |
| CAT | CAO | doub | 1.40Å | 1.39Å | Aromatic |
| CAT | CAS | sing | 1.38Å | 1.39Å | Aromatic |
| CAO | CAP | sing | 1.40Å | 1.40Å | Aromatic |
| CAS | CAR | doub | 1.39Å | 1.39Å | Aromatic |
| CAP | CAQ | doub | 1.38Å | 1.39Å | Aromatic |
| CAR | CAQ | sing | 1.39Å | 1.39Å | Aromatic |
| CAR | OAV | sing | 1.36Å | 1.36Å | |
| CAB | H1 | sing | 1.08Å | 1.08Å | |
| CAC | H2 | sing | 1.08Å | 1.08Å | |
| CAE | H3 | sing | 1.08Å | 1.08Å | |
| CAF | H4 | sing | 1.08Å | 1.08Å | |
| CAG | H5 | sing | 1.08Å | 1.08Å | |
| CAH | H6 | sing | 1.08Å | 1.08Å | |
| CAJ | H7 | sing | 1.09Å | 1.10Å | |
| CAJ | H8 | sing | 1.09Å | 1.10Å | |
| CAL | H9 | sing | 1.09Å | 1.10Å | |
| CAL | H10 | sing | 1.09Å | 1.10Å | |
| CAM | H11 | sing | 1.08Å | 1.08Å | |
| CAN | H12 | sing | 1.08Å | 1.08Å | |
| CAP | H13 | sing | 1.08Å | 1.08Å | |
| CAQ | H14 | sing | 1.08Å | 1.08Å | |
| CAS | H15 | sing | 1.08Å | 1.08Å | |
| CAT | H16 | sing | 1.08Å | 1.08Å | |
| OAU | H17 | sing | 0.97Å | 0.95Å | |
| OAV | H18 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OAK | CAI | CAH | 120.4° | 120.0° |
| OAK | CAI | CAJ | 121.5° | 120.0° |
| CAI | CAH | CAG | 116.4° | 120.0° |
| CAH | CAI | CAJ | 118.1° | 120.0° |
| CAI | CAH | H6 | 121.8° | 120.0° |
| CAH | CAG | CAD | 117.3° | 120.0° |
| CAH | CAG | H5 | 121.4° | 120.0° |
| CAG | CAH | H6 | 121.8° | 120.1° |
| CAI | CAJ | CAL | 112.3° | 109.5° |
| CAI | CAJ | H7 | 108.8° | 109.5° |
| CAI | CAJ | H8 | 108.8° | 109.5° |
| CAC | CAB | CAA | 120.0° | 120.2° |
| CAB | CAC | CAD | 119.9° | 119.8° |
| CAC | CAB | H1 | 120.0° | 119.9° |
| CAB | CAC | H2 | 120.1° | 120.1° |
| CAB | CAA | OAU | 121.1° | 119.9° |
| CAB | CAA | CAF | 120.0° | 120.2° |
| CAA | CAB | H1 | 120.0° | 119.9° |
| CAC | CAD | CAG | 121.9° | 120.1° |
| CAC | CAD | CAE | 119.6° | 119.8° |
| CAD | CAC | H2 | 120.0° | 120.0° |
| OAU | CAA | CAF | 118.9° | 119.9° |
| CAA | OAU | H17 | 109.5° | 114.1° |
| CAA | CAF | CAE | 119.8° | 120.1° |
| CAA | CAF | H4 | 120.1° | 119.9° |
| CAG | CAD | CAE | 118.5° | 120.1° |
| CAD | CAG | H5 | 121.3° | 120.0° |
| CAD | CAE | CAF | 120.7° | 119.9° |
| CAD | CAE | H3 | 119.6° | 120.1° |
| CAJ | CAL | CAM | 110.4° | 109.5° |
| CAL | CAJ | H7 | 108.8° | 109.5° |
| CAL | CAJ | H8 | 108.8° | 109.5° |
| CAJ | CAL | H9 | 109.3° | 109.5° |
| CAJ | CAL | H10 | 109.2° | 109.5° |
| CAF | CAE | H3 | 119.7° | 120.1° |
| CAE | CAF | H4 | 120.1° | 119.9° |
| CAL | CAM | CAN | 115.8° | 120.0° |
| CAM | CAL | H9 | 109.2° | 109.5° |
| CAM | CAL | H10 | 109.2° | 109.5° |
| CAL | CAM | H11 | 122.1° | 120.0° |
| CAM | CAN | CAO | 116.7° | 120.0° |
| CAN | CAM | H11 | 122.1° | 120.0° |
| CAM | CAN | H12 | 121.7° | 120.0° |
| CAN | CAO | CAT | 120.8° | 120.1° |
| CAN | CAO | CAP | 120.1° | 120.1° |
| CAO | CAN | H12 | 121.7° | 120.0° |
| CAO | CAT | CAS | 120.5° | 119.9° |
| CAT | CAO | CAP | 119.1° | 119.9° |
| CAO | CAT | H16 | 119.7° | 120.0° |
| CAT | CAS | CAR | 120.0° | 120.1° |
| CAT | CAS | H15 | 119.9° | 120.0° |
| CAS | CAT | H16 | 119.8° | 120.1° |
| CAO | CAP | CAQ | 120.8° | 119.9° |
| CAO | CAP | H13 | 119.6° | 120.0° |
| CAS | CAR | CAQ | 119.9° | 120.1° |
| CAS | CAR | OAV | 119.7° | 119.9° |
| CAR | CAS | H15 | 120.0° | 119.9° |
| CAP | CAQ | CAR | 119.7° | 120.1° |
| CAQ | CAP | H13 | 119.6° | 120.1° |
| CAP | CAQ | H14 | 120.1° | 119.9° |
| CAQ | CAR | OAV | 120.4° | 119.9° |
| CAR | CAQ | H14 | 120.2° | 119.9° |
| CAR | OAV | H18 | 109.5° | 114.0° |
| H7 | CAJ | H8 | 109.5° | 109.4° |
| H9 | CAL | H10 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OAK | CAI | CAH | CAJ | 177.4° | 180.0° |
| OAK | CAI | CAH | CAG | 177.8° | 0.0° |
| OAK | CAI | CAJ | CAL | 76.6° | 0.0° |
| OAK | CAI | CAH | H6 | 2.2° | 180.0° |
| OAK | CAI | CAJ | H7 | 43.8° | 120.0° |
| OAK | CAI | CAJ | H8 | 163.0° | 120.0° |
| CAI | CAH | CAG | H6 | 180.0° | 180.0° |
| CAI | CAH | CAG | CAD | 177.6° | 180.0° |
| CAH | CAI | CAJ | CAL | 106.1° | 180.0° |
| CAI | CAH | CAG | H5 | 2.4° | 0.0° |
| CAH | CAI | CAJ | H7 | 133.5° | 60.0° |
| CAH | CAI | CAJ | H8 | 14.3° | 60.0° |
| CAG | CAH | CAI | CAJ | 0.4° | 180.0° |
| CAH | CAG | CAD | CAC | 12.4° | 179.9° |
| CAH | CAG | CAD | H5 | 180.0° | 180.0° |
| CAH | CAG | CAD | CAE | 168.3° | 0.0° |
| CAI | CAJ | CAL | H7 | 120.4° | 120.0° |
| CAI | CAJ | CAL | H8 | 120.4° | 120.0° |
| CAI | CAJ | CAL | CAM | 72.5° | 180.0° |
| CAJ | CAI | CAH | H6 | 179.6° | 0.0° |
| CAI | CAJ | H7 | H8 | 118.7° | 120.0° |
| CAI | CAJ | CAL | H9 | 47.6° | 60.0° |
| CAI | CAJ | CAL | H10 | 167.4° | 60.0° |
| CAC | CAB | CAA | H1 | 180.0° | 179.9° |
| CAB | CAC | CAD | H2 | 180.0° | 179.9° |
| CAC | CAB | CAA | OAU | 180.0° | 179.7° |
| CAC | CAB | CAA | CAF | 0.4° | 0.1° |
| CAB | CAC | CAD | CAG | 179.0° | 180.0° |
| CAB | CAC | CAD | CAE | 0.3° | 0.1° |
| CAA | CAB | CAC | CAD | 0.5° | 0.0° |
| CAB | CAA | OAU | CAF | 179.6° | 179.7° |
| CAB | CAA | CAF | CAE | 0.1° | 0.0° |
| CAA | CAB | CAC | H2 | 179.5° | 179.9° |
| CAB | CAA | CAF | H4 | 179.9° | 179.9° |
| CAB | CAA | OAU | H17 | 180.0° | 89.7° |
| CAC | CAD | CAG | CAE | 179.3° | 180.0° |
| CAC | CAD | CAE | CAF | 0.0° | 0.1° |
| CAD | CAC | CAB | H1 | 179.5° | 179.9° |
| CAC | CAD | CAE | H3 | 180.0° | 179.9° |
| CAC | CAD | CAG | H5 | 167.6° | 0.1° |
| OAU | CAA | CAF | CAE | 179.7° | 179.7° |
| OAU | CAA | CAB | H1 | 0.0° | 0.4° |
| OAU | CAA | CAF | H4 | 0.4° | 0.3° |
| CAA | CAF | CAE | CAD | 0.1° | 0.0° |
| CAA | CAF | CAE | H4 | 180.0° | 179.9° |
| CAF | CAA | CAB | H1 | 179.6° | 179.9° |
| CAA | CAF | CAE | H3 | 179.8° | 180.0° |
| CAF | CAA | OAU | H17 | 0.4° | 90.0° |
| CAG | CAD | CAE | CAF | 179.3° | 180.0° |
| CAG | CAD | CAC | H2 | 1.1° | 0.1° |
| CAG | CAD | CAE | H3 | 0.7° | 0.0° |
| CAD | CAG | CAH | H6 | 2.4° | 0.0° |
| CAD | CAE | CAF | H3 | 180.0° | 180.0° |
| CAE | CAD | CAC | H2 | 179.7° | 179.9° |
| CAD | CAE | CAF | H4 | 179.9° | 180.0° |
| CAE | CAD | CAG | H5 | 11.7° | 180.0° |
| CAJ | CAL | CAM | H9 | 120.1° | 120.0° |
| CAJ | CAL | CAM | H10 | 120.1° | 120.0° |
| CAJ | CAL | CAM | CAN | 64.9° | 125.0° |
| CAL | CAJ | H7 | H8 | 118.7° | 120.0° |
| CAJ | CAL | H9 | H10 | 119.6° | 120.0° |
| CAJ | CAL | CAM | H11 | 115.1° | 55.0° |
| CAL | CAM | CAN | H11 | 180.0° | 180.0° |
| CAL | CAM | CAN | CAO | 179.0° | 180.0° |
| CAM | CAL | CAJ | H7 | 167.1° | 60.0° |
| CAM | CAL | CAJ | H8 | 47.9° | 60.0° |
| CAM | CAL | H9 | H10 | 119.6° | 120.0° |
| CAL | CAM | CAN | H12 | 1.0° | 0.0° |
| CAM | CAN | CAO | H12 | 180.0° | 180.0° |
| CAM | CAN | CAO | CAT | 14.8° | 0.3° |
| CAM | CAN | CAO | CAP | 165.1° | 180.0° |
| CAN | CAM | CAL | H9 | 175.0° | 5.0° |
| CAN | CAM | CAL | H10 | 55.2° | 114.9° |
| CAN | CAO | CAT | CAP | 179.9° | 179.8° |
| CAN | CAO | CAT | CAS | 179.9° | 179.7° |
| CAN | CAO | CAP | CAQ | 179.3° | 180.0° |
| CAO | CAN | CAM | H11 | 1.0° | 0.0° |
| CAN | CAO | CAP | H13 | 0.6° | 0.0° |
| CAN | CAO | CAT | H16 | 0.1° | 0.0° |
| CAO | CAT | CAS | H16 | 180.0° | 179.7° |
| CAO | CAT | CAS | CAR | 0.9° | 0.6° |
| CAT | CAO | CAP | CAQ | 0.5° | 0.3° |
| CAT | CAO | CAN | H12 | 165.3° | 179.7° |
| CAT | CAO | CAP | H13 | 179.5° | 179.8° |
| CAO | CAT | CAS | H15 | 179.1° | 179.7° |
| CAS | CAT | CAO | CAP | 0.2° | 0.6° |
| CAT | CAS | CAR | H15 | 180.0° | 179.7° |
| CAT | CAS | CAR | CAQ | 0.9° | 0.3° |
| CAT | CAS | CAR | OAV | 179.9° | 179.8° |
| CAO | CAP | CAQ | H13 | 180.0° | 180.0° |
| CAO | CAP | CAQ | CAR | 0.5° | 0.0° |
| CAP | CAO | CAN | H12 | 14.9° | 0.0° |
| CAO | CAP | CAQ | H14 | 179.5° | 180.0° |
| CAP | CAO | CAT | H16 | 179.8° | 179.7° |
| CAS | CAR | CAQ | CAP | 0.2° | 0.0° |
| CAS | CAR | CAQ | OAV | 179.2° | 179.9° |
| CAS | CAR | CAQ | H14 | 179.8° | 180.0° |
| CAR | CAS | CAT | H16 | 179.1° | 179.7° |
| CAS | CAR | OAV | H18 | 180.0° | 90.1° |
| CAP | CAQ | CAR | H14 | 180.0° | 179.9° |
| CAP | CAQ | CAR | OAV | 179.4° | 179.9° |
| CAR | CAQ | CAP | H13 | 179.5° | 180.0° |
| CAQ | CAR | CAS | H15 | 179.1° | 180.0° |
| CAQ | CAR | OAV | H18 | 0.8° | 90.0° |
| OAV | CAR | CAQ | H14 | 0.6° | 0.0° |
| OAV | CAR | CAS | H15 | 0.1° | 0.1° |
| H1 | CAB | CAC | H2 | 0.5° | 0.0° |
| H3 | CAE | CAF | H4 | 0.2° | 0.0° |
| H5 | CAG | CAH | H6 | 177.6° | 180.0° |
| H7 | CAJ | CAL | H9 | 72.8° | 180.0° |
| H7 | CAJ | CAL | H10 | 47.0° | 60.0° |
| H8 | CAJ | CAL | H9 | 168.1° | 60.0° |
| H8 | CAJ | CAL | H10 | 72.2° | 180.0° |
| H9 | CAL | CAM | H11 | 5.0° | 175.0° |
| H10 | CAL | CAM | H11 | 124.8° | 65.1° |
| H11 | CAM | CAN | H12 | 179.0° | 180.0° |
| H13 | CAP | CAQ | H14 | 0.5° | 0.0° |
| H15 | CAS | CAT | H16 | 0.9° | 0.0° |
