U4F
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OAA | CAB | doub | 1.22Å | 1.26Å | |
| CAZ | CAY | sing | 1.39Å | 1.41Å | Aromatic |
| CAZ | CBA | doub | 1.39Å | 1.43Å | Aromatic |
| CAY | CAX | doub | 1.36Å | 1.43Å | Aromatic |
| CAB | CBA | sing | 1.47Å | 1.42Å | |
| CAB | CAC | sing | 1.47Å | 1.43Å | |
| CBA | CBB | sing | 1.41Å | 1.44Å | Aromatic |
| CAX | CAW | sing | 1.41Å | 1.44Å | Aromatic |
| CAD | CAC | sing | 1.40Å | 1.42Å | Aromatic |
| CAD | CAE | doub | 1.38Å | 1.41Å | Aromatic |
| CAC | CAH | doub | 1.41Å | 1.44Å | Aromatic |
| CBB | CAW | doub | 1.41Å | 1.41Å | Aromatic |
| CBB | CAI | sing | 1.41Å | 1.42Å | Aromatic |
| CAW | NAV | sing | 1.34Å | 1.48Å | Aromatic |
| CAE | CAF | sing | 1.39Å | 1.43Å | Aromatic |
| CAH | CAI | sing | 1.47Å | 1.38Å | |
| CAH | CAG | sing | 1.39Å | 1.41Å | Aromatic |
| CAI | CAJ | doub | 1.39Å | 1.40Å | Aromatic |
| CAF | CAG | doub | 1.38Å | 1.39Å | Aromatic |
| NAV | CAK | doub | 1.32Å | 1.48Å | Aromatic |
| CAJ | CAK | sing | 1.40Å | 1.38Å | Aromatic |
| CAK | NAL | sing | 1.39Å | 1.54Å | |
| NAL | CAM | sing | 1.47Å | 1.52Å | |
| NAL | CAQ | sing | 1.47Å | 1.52Å | |
| CAM | CAN | sing | 1.53Å | 1.51Å | |
| CAQ | CAP | sing | 1.53Å | 1.55Å | |
| CAN | CAO | sing | 1.53Å | 1.54Å | |
| CAP | CAO | sing | 1.53Å | 1.57Å | |
| CAO | OAR | sing | 1.43Å | 1.44Å | |
| CAO | OAU | sing | 1.44Å | 1.44Å | |
| OAR | CAS | sing | 1.44Å | 1.40Å | |
| OAU | CAT | sing | 1.45Å | 1.42Å | |
| CAS | CAT | sing | 1.54Å | 1.54Å | |
| CAS | H1 | sing | 1.09Å | 1.10Å | |
| CAS | H2 | sing | 1.09Å | 1.10Å | |
| CAT | H3 | sing | 1.09Å | 1.10Å | |
| CAT | H4 | sing | 1.09Å | 1.10Å | |
| CAP | H5 | sing | 1.09Å | 1.10Å | |
| CAP | H6 | sing | 1.09Å | 1.10Å | |
| CAQ | H7 | sing | 1.09Å | 1.10Å | |
| CAQ | H8 | sing | 1.09Å | 1.10Å | |
| CAN | H9 | sing | 1.09Å | 1.10Å | |
| CAN | H10 | sing | 1.09Å | 1.10Å | |
| CAM | H11 | sing | 1.09Å | 1.10Å | |
| CAM | H12 | sing | 1.09Å | 1.10Å | |
| CAJ | H13 | sing | 1.08Å | 1.08Å | |
| CAG | H14 | sing | 1.08Å | 1.08Å | |
| CAF | H15 | sing | 1.08Å | 1.08Å | |
| CAE | H16 | sing | 1.08Å | 1.08Å | |
| CAD | H17 | sing | 1.08Å | 1.08Å | |
| CAZ | H18 | sing | 1.08Å | 1.08Å | |
| CAY | H19 | sing | 1.08Å | 1.08Å | |
| CAX | H20 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OAA | CAB | CBA | 122.0° | 120.5° |
| OAA | CAB | CAC | 119.7° | 120.5° |
| CAY | CAZ | CBA | 119.4° | 120.2° |
| CAZ | CAY | CAX | 119.8° | 121.2° |
| CAY | CAZ | H18 | 120.3° | 119.9° |
| CAZ | CAY | H19 | 120.1° | 119.4° |
| CAZ | CBA | CAB | 120.5° | 120.8° |
| CAZ | CBA | CBB | 120.8° | 119.5° |
| CBA | CAZ | H18 | 120.3° | 119.9° |
| CAY | CAX | CAW | 121.2° | 120.3° |
| CAX | CAY | H19 | 120.1° | 119.4° |
| CAY | CAX | H20 | 119.4° | 119.8° |
| CBA | CAB | CAC | 118.3° | 119.1° |
| CAB | CBA | CBB | 118.7° | 119.7° |
| CAB | CAC | CAD | 118.7° | 120.5° |
| CAB | CAC | CAH | 121.8° | 119.8° |
| CBA | CBB | CAW | 120.2° | 119.7° |
| CBA | CBB | CAI | 122.0° | 121.2° |
| CAX | CAW | CBB | 118.6° | 119.1° |
| CAX | CAW | NAV | 124.2° | 121.1° |
| CAW | CAX | H20 | 119.4° | 119.9° |
| CAC | CAD | CAE | 118.0° | 119.8° |
| CAD | CAC | CAH | 119.5° | 119.7° |
| CAC | CAD | H17 | 121.0° | 120.1° |
| CAD | CAE | CAF | 120.1° | 120.4° |
| CAD | CAE | H16 | 119.9° | 119.8° |
| CAE | CAD | H17 | 121.0° | 120.1° |
| CAC | CAH | CAI | 119.5° | 119.8° |
| CAC | CAH | CAG | 123.5° | 119.5° |
| CAW | CBB | CAI | 117.8° | 119.2° |
| CBB | CAW | NAV | 117.3° | 119.8° |
| CBB | CAI | CAH | 119.7° | 120.4° |
| CBB | CAI | CAJ | 125.8° | 118.4° |
| CAW | NAV | CAK | 122.2° | 121.9° |
| CAE | CAF | CAG | 124.5° | 120.6° |
| CAE | CAF | H15 | 117.8° | 119.8° |
| CAF | CAE | H16 | 119.9° | 119.8° |
| CAI | CAH | CAG | 117.0° | 120.6° |
| CAH | CAI | CAJ | 114.5° | 121.2° |
| CAH | CAG | CAF | 114.4° | 119.9° |
| CAH | CAG | H14 | 122.8° | 120.0° |
| CAI | CAJ | CAK | 119.5° | 119.1° |
| CAI | CAJ | H13 | 120.2° | 120.5° |
| CAF | CAG | H14 | 122.8° | 120.1° |
| CAG | CAF | H15 | 117.8° | 119.7° |
| NAV | CAK | CAJ | 117.4° | 121.6° |
| NAV | CAK | NAL | 126.8° | 119.2° |
| CAJ | CAK | NAL | 115.7° | 119.2° |
| CAK | CAJ | H13 | 120.2° | 120.5° |
| CAK | NAL | CAM | 120.0° | 111.0° |
| CAK | NAL | CAQ | 120.8° | 111.0° |
| CAM | NAL | CAQ | 118.8° | 111.3° |
| NAL | CAM | CAN | 107.6° | 109.5° |
| NAL | CAM | H11 | 109.9° | 109.5° |
| NAL | CAM | H12 | 109.9° | 109.5° |
| NAL | CAQ | CAP | 111.8° | 109.5° |
| NAL | CAQ | H7 | 108.9° | 109.5° |
| NAL | CAQ | H8 | 108.9° | 109.4° |
| CAM | CAN | CAO | 107.5° | 109.3° |
| CAM | CAN | H9 | 110.0° | 109.5° |
| CAM | CAN | H10 | 110.0° | 109.5° |
| CAN | CAM | H11 | 109.9° | 109.4° |
| CAN | CAM | H12 | 109.9° | 109.4° |
| CAQ | CAP | CAO | 110.3° | 109.3° |
| CAQ | CAP | H5 | 109.3° | 109.5° |
| CAQ | CAP | H6 | 109.3° | 109.5° |
| CAP | CAQ | H7 | 108.9° | 109.5° |
| CAP | CAQ | H8 | 108.9° | 109.4° |
| CAN | CAO | CAP | 117.1° | 110.2° |
| CAN | CAO | OAR | 108.3° | 110.2° |
| CAN | CAO | OAU | 107.9° | 109.8° |
| CAO | CAN | H9 | 110.0° | 109.5° |
| CAO | CAN | H10 | 110.0° | 109.5° |
| CAP | CAO | OAR | 109.9° | 110.1° |
| CAP | CAO | OAU | 111.4° | 109.8° |
| CAO | CAP | H5 | 109.3° | 109.5° |
| CAO | CAP | H6 | 109.2° | 109.5° |
| OAR | CAO | OAU | 101.0° | 106.7° |
| CAO | OAR | CAS | 106.5° | 107.0° |
| CAO | OAU | CAT | 102.1° | 103.2° |
| OAR | CAS | CAT | 101.9° | 105.1° |
| OAR | CAS | H1 | 111.3° | 110.4° |
| OAR | CAS | H2 | 111.3° | 110.3° |
| OAU | CAT | CAS | 105.6° | 102.9° |
| OAU | CAT | H3 | 110.4° | 110.7° |
| OAU | CAT | H4 | 110.4° | 110.9° |
| CAT | CAS | H1 | 111.3° | 110.3° |
| CAT | CAS | H2 | 111.4° | 110.3° |
| CAS | CAT | H3 | 110.4° | 110.7° |
| CAS | CAT | H4 | 110.4° | 110.7° |
| H1 | CAS | H2 | 109.5° | 110.4° |
| H3 | CAT | H4 | 109.5° | 110.6° |
| H5 | CAP | H6 | 109.5° | 109.5° |
| H7 | CAQ | H8 | 109.5° | 109.5° |
| H9 | CAN | H10 | 109.5° | 109.5° |
| H11 | CAM | H12 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OAA | CAB | CBA | CAZ | 0.1° | 0.4° |
| OAA | CAB | CBA | CAC | 179.5° | 179.6° |
| OAA | CAB | CBA | CBB | 178.9° | 180.0° |
| OAA | CAB | CAC | CAD | 0.1° | 0.1° |
| OAA | CAB | CAC | CAH | 179.8° | 179.8° |
| CAY | CAZ | CBA | H18 | 180.0° | 179.9° |
| CAZ | CAY | CAX | H19 | 180.0° | 179.9° |
| CAY | CAZ | CBA | CAB | 178.8° | 179.9° |
| CAY | CAZ | CBA | CBB | 0.0° | 0.5° |
| CAZ | CAY | CAX | CAW | 0.1° | 0.6° |
| CAZ | CAY | CAX | H20 | 179.8° | 180.0° |
| CBA | CAZ | CAY | CAX | 0.5° | 0.1° |
| CAZ | CBA | CAB | CBB | 178.8° | 179.6° |
| CAZ | CBA | CAB | CAC | 179.4° | 180.0° |
| CAZ | CBA | CBB | CAW | 1.1° | 0.2° |
| CAZ | CBA | CBB | CAI | 179.5° | 180.0° |
| CBA | CAZ | CAY | H19 | 179.5° | 180.0° |
| CAY | CAX | CAW | H20 | 180.0° | 179.5° |
| CAY | CAX | CAW | CBB | 1.3° | 0.8° |
| CAY | CAX | CAW | NAV | 178.5° | 179.6° |
| CAX | CAY | CAZ | H18 | 179.5° | 180.0° |
| CBA | CAB | CAC | CAD | 179.4° | 179.7° |
| CBA | CAB | CAC | CAH | 0.3° | 0.2° |
| CAB | CBA | CBB | CAW | 180.0° | 179.8° |
| CAB | CBA | CBB | CAI | 1.7° | 0.4° |
| CAB | CBA | CAZ | H18 | 1.2° | 0.0° |
| CAC | CAB | CBA | CBB | 0.6° | 0.4° |
| CAB | CAC | CAD | CAH | 179.7° | 179.9° |
| CAB | CAC | CAD | CAE | 179.4° | 180.0° |
| CAB | CAC | CAH | CAI | 0.0° | 0.0° |
| CAB | CAC | CAH | CAG | 179.7° | 180.0° |
| CAB | CAC | CAD | H17 | 0.7° | 0.1° |
| CBA | CBB | CAW | CAX | 1.7° | 0.4° |
| CBA | CBB | CAW | CAI | 178.4° | 179.7° |
| CBA | CBB | CAW | NAV | 178.0° | 180.0° |
| CBA | CBB | CAI | CAH | 1.9° | 0.2° |
| CBA | CBB | CAI | CAJ | 179.5° | 179.7° |
| CBB | CBA | CAZ | H18 | 180.0° | 179.6° |
| CAX | CAW | CBB | NAV | 179.8° | 179.6° |
| CAX | CAW | CBB | CAI | 179.8° | 179.3° |
| CAX | CAW | NAV | CAK | 179.1° | 179.0° |
| CAW | CAX | CAY | H19 | 179.8° | 179.3° |
| CAC | CAD | CAE | H17 | 180.0° | 179.9° |
| CAC | CAD | CAE | CAF | 0.7° | 0.0° |
| CAD | CAC | CAH | CAI | 179.6° | 179.9° |
| CAD | CAC | CAH | CAG | 0.1° | 0.0° |
| CAC | CAD | CAE | H16 | 179.3° | 180.0° |
| CAE | CAD | CAC | CAH | 1.0° | 0.1° |
| CAD | CAE | CAF | H16 | 180.0° | 180.0° |
| CAD | CAE | CAF | CAG | 0.5° | 0.1° |
| CAD | CAE | CAF | H15 | 179.5° | 180.0° |
| CAC | CAH | CAI | CBB | 1.0° | 0.0° |
| CAC | CAH | CAI | CAG | 179.7° | 180.0° |
| CAC | CAH | CAI | CAJ | 179.7° | 180.0° |
| CAC | CAH | CAG | CAF | 1.1° | 0.0° |
| CAC | CAH | CAG | H14 | 178.9° | 180.0° |
| CAH | CAC | CAD | H17 | 179.0° | 180.0° |
| CAW | CBB | CAI | CAH | 179.7° | 180.0° |
| CAW | CBB | CAI | CAJ | 1.1° | 0.0° |
| CBB | CAW | NAV | CAK | 1.2° | 0.6° |
| CBB | CAW | CAX | H20 | 178.7° | 179.7° |
| CAI | CBB | CAW | NAV | 0.4° | 0.3° |
| CBB | CAI | CAH | CAJ | 178.7° | 180.0° |
| CBB | CAI | CAH | CAG | 178.7° | 180.0° |
| CBB | CAI | CAJ | CAK | 1.9° | 0.0° |
| CBB | CAI | CAJ | H13 | 178.1° | 180.0° |
| CAW | NAV | CAK | CAJ | 0.5° | 0.5° |
| CAW | NAV | CAK | NAL | 177.8° | 179.7° |
| NAV | CAW | CAX | H20 | 1.5° | 0.1° |
| CAE | CAF | CAG | CAH | 1.4° | 0.1° |
| CAE | CAF | CAG | H15 | 180.0° | 179.9° |
| CAE | CAF | CAG | H14 | 178.6° | 180.0° |
| CAF | CAE | CAD | H17 | 179.3° | 179.9° |
| CAI | CAH | CAG | CAF | 179.2° | 180.0° |
| CAH | CAI | CAJ | CAK | 179.5° | 180.0° |
| CAH | CAI | CAJ | H13 | 0.5° | 0.1° |
| CAI | CAH | CAG | H14 | 0.8° | 0.0° |
| CAG | CAH | CAI | CAJ | 0.0° | 0.0° |
| CAH | CAG | CAF | H14 | 180.0° | 179.9° |
| CAH | CAG | CAF | H15 | 178.6° | 180.0° |
| CAI | CAJ | CAK | NAV | 1.0° | 0.2° |
| CAI | CAJ | CAK | H13 | 180.0° | 179.9° |
| CAI | CAJ | CAK | NAL | 179.4° | 180.0° |
| CAG | CAF | CAE | H16 | 179.5° | 179.9° |
| NAV | CAK | CAJ | NAL | 178.4° | 179.8° |
| NAV | CAK | NAL | CAM | 1.0° | 0.3° |
| NAV | CAK | NAL | CAQ | 171.8° | 124.1° |
| NAV | CAK | CAJ | H13 | 179.0° | 179.7° |
| CAJ | CAK | NAL | CAM | 179.3° | 179.9° |
| CAJ | CAK | NAL | CAQ | 6.4° | 55.7° |
| CAK | NAL | CAM | CAQ | 173.0° | 124.2° |
| CAK | NAL | CAM | CAN | 138.7° | 173.8° |
| CAK | NAL | CAQ | CAP | 162.2° | 173.8° |
| CAK | NAL | CAQ | H7 | 77.5° | 53.8° |
| CAK | NAL | CAQ | H8 | 41.8° | 66.3° |
| CAK | NAL | CAM | H11 | 101.6° | 66.3° |
| CAK | NAL | CAM | H12 | 19.0° | 53.8° |
| NAL | CAK | CAJ | H13 | 0.5° | 0.0° |
| NAL | CAM | CAN | H11 | 119.7° | 120.0° |
| NAL | CAM | CAN | H12 | 119.7° | 120.0° |
| CAM | NAL | CAQ | CAP | 24.9° | 62.0° |
| NAL | CAM | CAN | CAO | 66.3° | 58.5° |
| CAM | NAL | CAQ | H7 | 95.4° | 177.9° |
| CAM | NAL | CAQ | H8 | 145.3° | 57.9° |
| NAL | CAM | CAN | H9 | 174.0° | 178.4° |
| NAL | CAM | CAN | H10 | 53.4° | 61.4° |
| NAL | CAM | H11 | H12 | 120.8° | 120.1° |
| CAQ | NAL | CAM | CAN | 34.3° | 62.1° |
| NAL | CAQ | CAP | H7 | 120.3° | 120.0° |
| NAL | CAQ | CAP | H8 | 120.4° | 119.9° |
| NAL | CAQ | CAP | CAO | 49.6° | 58.5° |
| NAL | CAQ | CAP | H5 | 169.7° | 61.5° |
| NAL | CAQ | CAP | H6 | 70.5° | 178.4° |
| NAL | CAQ | H7 | H8 | 119.0° | 120.0° |
| CAQ | NAL | CAM | H11 | 85.4° | 57.9° |
| CAQ | NAL | CAM | H12 | 154.0° | 178.0° |
| CAM | CAN | CAO | H9 | 119.7° | 119.9° |
| CAM | CAN | CAO | H10 | 119.7° | 120.0° |
| CAM | CAN | CAO | CAP | 41.4° | 56.7° |
| CAM | CAN | CAO | OAR | 166.3° | 65.0° |
| CAM | CAN | CAO | OAU | 85.1° | 177.8° |
| CAM | CAN | H9 | H10 | 120.9° | 120.1° |
| CAN | CAM | H11 | H12 | 120.8° | 119.9° |
| CAQ | CAP | CAO | CAN | 16.8° | 56.7° |
| CAQ | CAP | CAO | H5 | 120.1° | 119.9° |
| CAQ | CAP | CAO | H6 | 120.1° | 120.0° |
| CAQ | CAP | CAO | OAR | 107.3° | 65.0° |
| CAQ | CAP | CAO | OAU | 141.6° | 177.8° |
| CAQ | CAP | H5 | H6 | 119.7° | 120.1° |
| CAP | CAQ | H7 | H8 | 118.9° | 120.0° |
| CAN | CAO | CAP | OAR | 124.1° | 121.7° |
| CAN | CAO | CAP | OAU | 124.8° | 121.1° |
| CAN | CAO | OAR | OAU | 113.2° | 119.1° |
| CAN | CAO | OAR | CAS | 158.4° | 143.7° |
| CAN | CAO | OAU | CAT | 159.8° | 158.0° |
| CAN | CAO | CAP | H5 | 136.9° | 63.2° |
| CAN | CAO | CAP | H6 | 103.4° | 176.7° |
| CAO | CAN | H9 | H10 | 120.9° | 120.1° |
| CAO | CAN | CAM | H11 | 53.4° | 61.5° |
| CAO | CAN | CAM | H12 | 174.0° | 178.5° |
| CAP | CAO | OAR | OAU | 117.7° | 119.1° |
| CAP | CAO | OAR | CAS | 72.6° | 94.6° |
| CAP | CAO | OAU | CAT | 70.4° | 80.7° |
| CAO | CAP | H5 | H6 | 119.6° | 120.1° |
| CAO | CAP | CAQ | H7 | 70.7° | 178.5° |
| CAO | CAP | CAQ | H8 | 169.9° | 61.5° |
| CAP | CAO | CAN | H9 | 161.1° | 176.6° |
| CAP | CAO | CAN | H10 | 78.2° | 63.3° |
| OAR | CAO | OAU | CAT | 46.3° | 38.6° |
| CAO | OAR | CAS | CAT | 24.6° | 1.3° |
| CAO | OAR | CAS | H1 | 143.4° | 120.2° |
| CAO | OAR | CAS | H2 | 94.2° | 117.6° |
| OAR | CAO | CAP | H5 | 12.8° | 175.0° |
| OAR | CAO | CAP | H6 | 132.5° | 54.9° |
| OAR | CAO | CAN | H9 | 74.0° | 54.9° |
| OAR | CAO | CAN | H10 | 46.7° | 175.0° |
| OAU | CAO | OAR | CAS | 45.1° | 24.5° |
| CAO | OAU | CAT | CAS | 31.4° | 36.1° |
| CAO | OAU | CAT | H3 | 88.0° | 154.5° |
| CAO | OAU | CAT | H4 | 150.8° | 82.3° |
| OAU | CAO | CAP | H5 | 98.3° | 57.9° |
| OAU | CAO | CAP | H6 | 21.4° | 62.2° |
| OAU | CAO | CAN | H9 | 34.6° | 62.3° |
| OAU | CAO | CAN | H10 | 155.3° | 57.8° |
| OAR | CAS | CAT | OAU | 4.5° | 21.8° |
| OAR | CAS | CAT | H1 | 118.8° | 119.0° |
| OAR | CAS | CAT | H2 | 118.8° | 118.9° |
| OAR | CAS | H1 | H2 | 123.5° | 122.2° |
| OAR | CAS | CAT | H3 | 114.9° | 140.1° |
| OAR | CAS | CAT | H4 | 123.9° | 96.8° |
| OAU | CAT | CAS | H3 | 119.4° | 118.3° |
| OAU | CAT | CAS | H4 | 119.4° | 118.6° |
| OAU | CAT | CAS | H1 | 114.3° | 97.2° |
| OAU | CAT | CAS | H2 | 123.3° | 140.7° |
| OAU | CAT | H3 | H4 | 121.8° | 123.4° |
| CAT | CAS | H1 | H2 | 123.5° | 122.1° |
| CAS | CAT | H3 | H4 | 121.8° | 123.1° |
| H1 | CAS | CAT | H3 | 126.3° | 21.2° |
| H1 | CAS | CAT | H4 | 5.1° | 144.2° |
| H2 | CAS | CAT | H3 | 3.9° | 101.0° |
| H2 | CAS | CAT | H4 | 117.3° | 22.1° |
| H5 | CAP | CAQ | H7 | 49.4° | 58.5° |
| H5 | CAP | CAQ | H8 | 69.9° | 178.6° |
| H6 | CAP | CAQ | H7 | 169.1° | 61.5° |
| H6 | CAP | CAQ | H8 | 49.8° | 58.5° |
| H9 | CAN | CAM | H11 | 66.3° | 58.5° |
| H9 | CAN | CAM | H12 | 54.3° | 61.5° |
| H10 | CAN | CAM | H11 | 173.1° | 178.6° |
| H10 | CAN | CAM | H12 | 66.3° | 58.6° |
| H14 | CAG | CAF | H15 | 1.4° | 0.0° |
| H15 | CAF | CAE | H16 | 0.5° | 0.0° |
| H16 | CAE | CAD | H17 | 0.8° | 0.1° |
| H18 | CAZ | CAY | H19 | 0.5° | 0.1° |
| H19 | CAY | CAX | H20 | 0.2° | 0.1° |
