FUU
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAF | CAD | doub | 1.35Å | 1.33Å | Aromatic |
| CAF | OAR | sing | 1.34Å | 1.37Å | Aromatic |
| CAD | CAI | sing | 1.41Å | 1.33Å | Aromatic |
| OAR | CAY | sing | 1.35Å | 1.37Å | Aromatic |
| CAI | CAY | doub | 1.36Å | 1.33Å | Aromatic |
| CAY | CAZ | sing | 1.47Å | 1.39Å | |
| CAZ | OAS | sing | 1.35Å | 1.36Å | Aromatic |
| CAZ | NAN | doub | 1.31Å | 1.33Å | Aromatic |
| OAS | CAX | sing | 1.35Å | 1.36Å | Aromatic |
| NAN | NAM | sing | 1.29Å | 1.23Å | Aromatic |
| CAX | NAM | doub | 1.31Å | 1.33Å | Aromatic |
| CAX | NAP | sing | 1.39Å | 1.33Å | |
| NAP | CAU | sing | 1.35Å | 1.33Å | |
| CAU | OAB | doub | 1.22Å | 1.24Å | |
| CAU | NAO | sing | 1.35Å | 1.32Å | |
| NAO | CAK | sing | 1.46Å | 1.47Å | |
| OAC | CAT | doub | 1.21Å | 1.25Å | |
| OAA | CAT | sing | 1.34Å | 1.25Å | |
| CAT | CAL | sing | 1.51Å | 1.53Å | |
| CAL | OAQ | sing | 1.43Å | 1.43Å | |
| CAK | CAV | sing | 1.51Å | 1.53Å | |
| CAJ | CAV | doub | 1.38Å | 1.39Å | Aromatic |
| CAJ | CAW | sing | 1.39Å | 1.39Å | Aromatic |
| CAV | CAG | sing | 1.38Å | 1.39Å | Aromatic |
| OAQ | CAW | sing | 1.36Å | 1.36Å | |
| CAW | CAH | doub | 1.39Å | 1.39Å | Aromatic |
| CAG | CAE | doub | 1.38Å | 1.39Å | Aromatic |
| CAH | CAE | sing | 1.38Å | 1.39Å | Aromatic |
| CAI | H1 | sing | 1.08Å | 1.08Å | |
| CAD | H2 | sing | 1.08Å | 1.08Å | |
| CAF | H3 | sing | 1.08Å | 1.08Å | |
| NAP | H4 | sing | 0.97Å | 1.00Å | |
| NAO | H5 | sing | 0.97Å | 1.00Å | |
| CAK | H6 | sing | 1.09Å | 1.10Å | |
| CAK | H7 | sing | 1.09Å | 1.10Å | |
| CAJ | H8 | sing | 1.08Å | 1.08Å | |
| CAG | H9 | sing | 1.08Å | 1.08Å | |
| CAE | H10 | sing | 1.08Å | 1.08Å | |
| CAH | H11 | sing | 1.08Å | 1.08Å | |
| CAL | H12 | sing | 1.09Å | 1.10Å | |
| CAL | H13 | sing | 1.09Å | 1.10Å | |
| OAA | H14 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAD | CAF | OAR | 107.9° | 108.7° |
| CAF | CAD | CAI | 109.2° | 107.1° |
| CAF | CAD | H2 | 125.4° | 126.5° |
| CAD | CAF | H3 | 126.1° | 125.7° |
| CAF | OAR | CAY | 105.9° | 109.4° |
| OAR | CAF | H3 | 126.0° | 125.6° |
| CAD | CAI | CAY | 108.2° | 106.7° |
| CAD | CAI | H1 | 125.9° | 126.6° |
| CAI | CAD | H2 | 125.4° | 126.4° |
| OAR | CAY | CAI | 108.8° | 108.1° |
| OAR | CAY | CAZ | 122.3° | 125.9° |
| CAI | CAY | CAZ | 128.8° | 126.0° |
| CAY | CAI | H1 | 125.9° | 126.6° |
| CAY | CAZ | OAS | 122.2° | 126.4° |
| CAY | CAZ | NAN | 129.0° | 126.3° |
| OAS | CAZ | NAN | 108.9° | 107.3° |
| CAZ | OAS | CAX | 102.5° | 106.3° |
| CAZ | NAN | NAM | 110.2° | 109.4° |
| OAS | CAX | NAM | 109.4° | 107.5° |
| OAS | CAX | NAP | 124.5° | 126.2° |
| NAN | NAM | CAX | 109.0° | 109.5° |
| NAM | CAX | NAP | 126.1° | 126.3° |
| CAX | NAP | CAU | 122.3° | 120.0° |
| CAX | NAP | H4 | 118.8° | 120.0° |
| NAP | CAU | OAB | 121.8° | 120.0° |
| NAP | CAU | NAO | 117.0° | 120.0° |
| CAU | NAP | H4 | 118.8° | 120.0° |
| OAB | CAU | NAO | 121.2° | 120.0° |
| CAU | NAO | CAK | 121.9° | 120.0° |
| CAU | NAO | H5 | 119.1° | 120.1° |
| NAO | CAK | CAV | 110.5° | 109.5° |
| CAK | NAO | H5 | 119.1° | 120.0° |
| NAO | CAK | H6 | 109.2° | 109.5° |
| NAO | CAK | H7 | 109.2° | 109.5° |
| OAC | CAT | OAA | 124.5° | 120.0° |
| OAC | CAT | CAL | 117.7° | 120.0° |
| OAA | CAT | CAL | 117.8° | 120.0° |
| CAT | OAA | H14 | 109.5° | 117.0° |
| CAT | CAL | OAQ | 108.2° | 109.5° |
| CAT | CAL | H12 | 109.8° | 109.4° |
| CAT | CAL | H13 | 109.8° | 109.5° |
| CAL | OAQ | CAW | 111.3° | 117.0° |
| OAQ | CAL | H12 | 109.8° | 109.4° |
| OAQ | CAL | H13 | 109.8° | 109.5° |
| CAK | CAV | CAJ | 119.8° | 120.0° |
| CAK | CAV | CAG | 120.1° | 120.0° |
| CAV | CAK | H6 | 109.2° | 109.5° |
| CAV | CAK | H7 | 109.2° | 109.4° |
| CAV | CAJ | CAW | 120.0° | 120.0° |
| CAJ | CAV | CAG | 120.0° | 120.0° |
| CAV | CAJ | H8 | 120.0° | 120.0° |
| CAJ | CAW | OAQ | 119.1° | 120.1° |
| CAJ | CAW | CAH | 120.0° | 119.8° |
| CAW | CAJ | H8 | 120.0° | 120.0° |
| CAV | CAG | CAE | 119.9° | 120.2° |
| CAV | CAG | H9 | 120.1° | 119.9° |
| OAQ | CAW | CAH | 120.9° | 120.1° |
| CAW | CAH | CAE | 120.0° | 119.9° |
| CAW | CAH | H11 | 120.0° | 120.0° |
| CAG | CAE | CAH | 120.1° | 120.0° |
| CAE | CAG | H9 | 120.0° | 119.9° |
| CAG | CAE | H10 | 120.0° | 120.0° |
| CAH | CAE | H10 | 119.9° | 120.0° |
| CAE | CAH | H11 | 120.0° | 120.0° |
| H6 | CAK | H7 | 109.5° | 109.5° |
| H12 | CAL | H13 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAD | CAF | OAR | H3 | 180.0° | 179.9° |
| CAF | CAD | CAI | H2 | 180.0° | 180.0° |
| CAD | CAF | OAR | CAY | 0.0° | 0.0° |
| CAF | CAD | CAI | CAY | 0.0° | 0.0° |
| CAF | CAD | CAI | H1 | 180.0° | 179.7° |
| OAR | CAF | CAD | CAI | 0.0° | 0.0° |
| CAF | OAR | CAY | CAI | 0.0° | 0.0° |
| CAF | OAR | CAY | CAZ | 179.4° | 179.7° |
| OAR | CAF | CAD | H2 | 180.0° | 180.0° |
| CAD | CAI | CAY | OAR | 0.0° | 0.0° |
| CAD | CAI | CAY | H1 | 180.0° | 179.7° |
| CAD | CAI | CAY | CAZ | 179.3° | 179.7° |
| CAI | CAD | CAF | H3 | 180.0° | 179.9° |
| OAR | CAY | CAI | CAZ | 179.3° | 179.7° |
| OAR | CAY | CAZ | OAS | 8.2° | 0.3° |
| OAR | CAY | CAZ | NAN | 171.2° | 179.4° |
| OAR | CAY | CAI | H1 | 180.0° | 179.7° |
| CAY | OAR | CAF | H3 | 180.0° | 179.9° |
| CAI | CAY | CAZ | OAS | 172.6° | 180.0° |
| CAI | CAY | CAZ | NAN | 8.0° | 0.3° |
| CAY | CAI | CAD | H2 | 180.0° | 180.0° |
| CAY | CAZ | OAS | NAN | 179.5° | 179.8° |
| CAY | CAZ | OAS | CAX | 179.3° | 180.0° |
| CAY | CAZ | NAN | NAM | 179.2° | 180.0° |
| CAZ | CAY | CAI | H1 | 0.7° | 0.0° |
| OAS | CAZ | NAN | NAM | 0.3° | 0.3° |
| CAZ | OAS | CAX | NAM | 0.2° | 0.2° |
| CAZ | OAS | CAX | NAP | 177.2° | 180.0° |
| NAN | CAZ | OAS | CAX | 0.3° | 0.3° |
| CAZ | NAN | NAM | CAX | 0.2° | 0.1° |
| OAS | CAX | NAM | NAN | 0.0° | 0.1° |
| OAS | CAX | NAM | NAP | 177.0° | 179.8° |
| OAS | CAX | NAP | CAU | 178.6° | 179.9° |
| OAS | CAX | NAP | H4 | 1.4° | 0.0° |
| NAN | NAM | CAX | NAP | 177.0° | 179.8° |
| NAM | CAX | NAP | CAU | 4.8° | 0.2° |
| NAM | CAX | NAP | H4 | 175.2° | 179.7° |
| CAX | NAP | CAU | H4 | 180.0° | 179.9° |
| CAX | NAP | CAU | OAB | 2.8° | 0.1° |
| CAX | NAP | CAU | NAO | 179.3° | 180.0° |
| NAP | CAU | OAB | NAO | 177.8° | 179.9° |
| NAP | CAU | NAO | CAK | 179.3° | 179.9° |
| NAP | CAU | NAO | H5 | 0.7° | 0.0° |
| OAB | CAU | NAO | CAK | 1.4° | 0.0° |
| OAB | CAU | NAP | H4 | 177.2° | 180.0° |
| OAB | CAU | NAO | H5 | 178.6° | 179.9° |
| CAU | NAO | CAK | H5 | 180.0° | 179.9° |
| CAU | NAO | CAK | CAV | 104.6° | 180.0° |
| NAO | CAU | NAP | H4 | 0.7° | 0.1° |
| CAU | NAO | CAK | H6 | 15.5° | 60.0° |
| CAU | NAO | CAK | H7 | 135.2° | 60.0° |
| NAO | CAK | CAV | H6 | 120.2° | 120.0° |
| NAO | CAK | CAV | H7 | 120.2° | 120.0° |
| NAO | CAK | CAV | CAJ | 76.1° | 89.7° |
| NAO | CAK | CAV | CAG | 106.0° | 90.0° |
| NAO | CAK | H6 | H7 | 119.6° | 120.1° |
| OAC | CAT | OAA | CAL | 179.9° | 180.0° |
| OAC | CAT | CAL | OAQ | 11.9° | 0.0° |
| OAC | CAT | CAL | H12 | 131.7° | 120.0° |
| OAC | CAT | CAL | H13 | 107.9° | 120.1° |
| OAC | CAT | OAA | H14 | 0.0° | 0.0° |
| OAA | CAT | CAL | OAQ | 168.2° | 180.0° |
| OAA | CAT | CAL | H12 | 48.4° | 60.0° |
| OAA | CAT | CAL | H13 | 72.0° | 60.0° |
| CAT | CAL | OAQ | H12 | 119.8° | 119.9° |
| CAT | CAL | OAQ | H13 | 119.8° | 120.1° |
| CAT | CAL | OAQ | CAW | 169.8° | 180.0° |
| CAT | CAL | H12 | H13 | 120.6° | 120.0° |
| CAL | CAT | OAA | H14 | 180.0° | 180.0° |
| CAL | OAQ | CAW | CAJ | 150.5° | 180.0° |
| CAL | OAQ | CAW | CAH | 29.9° | 0.1° |
| OAQ | CAL | H12 | H13 | 120.6° | 120.0° |
| CAK | CAV | CAJ | CAG | 177.9° | 179.7° |
| CAK | CAV | CAJ | CAW | 177.6° | 180.0° |
| CAK | CAV | CAG | CAE | 177.6° | 179.9° |
| CAV | CAK | NAO | H5 | 75.4° | 0.0° |
| CAV | CAK | H6 | H7 | 119.5° | 119.9° |
| CAK | CAV | CAJ | H8 | 2.4° | 0.0° |
| CAK | CAV | CAG | H9 | 2.5° | 0.0° |
| CAV | CAJ | CAW | H8 | 180.0° | 180.0° |
| CAV | CAJ | CAW | OAQ | 179.5° | 180.0° |
| CAV | CAJ | CAW | CAH | 0.1° | 0.1° |
| CAJ | CAV | CAG | CAE | 0.3° | 0.2° |
| CAJ | CAV | CAK | H6 | 163.7° | 150.3° |
| CAJ | CAV | CAK | H7 | 44.0° | 30.3° |
| CAJ | CAV | CAG | H9 | 179.7° | 179.7° |
| CAW | CAJ | CAV | CAG | 0.3° | 0.3° |
| CAJ | CAW | OAQ | CAH | 179.6° | 179.9° |
| CAJ | CAW | CAH | CAE | 0.1° | 0.2° |
| CAJ | CAW | CAH | H11 | 179.9° | 179.9° |
| CAV | CAG | CAE | H9 | 180.0° | 179.9° |
| CAV | CAG | CAE | CAH | 0.1° | 0.1° |
| CAG | CAV | CAK | H6 | 14.1° | 30.0° |
| CAG | CAV | CAK | H7 | 133.8° | 150.0° |
| CAG | CAV | CAJ | H8 | 179.7° | 179.7° |
| CAV | CAG | CAE | H10 | 179.9° | 180.0° |
| OAQ | CAW | CAH | CAE | 179.7° | 179.7° |
| OAQ | CAW | CAJ | H8 | 0.5° | 0.0° |
| OAQ | CAW | CAH | H11 | 0.3° | 0.0° |
| CAW | OAQ | CAL | H12 | 70.4° | 60.1° |
| CAW | OAQ | CAL | H13 | 50.0° | 59.9° |
| CAW | CAH | CAE | CAG | 0.1° | 0.3° |
| CAW | CAH | CAE | H11 | 180.0° | 179.7° |
| CAH | CAW | CAJ | H8 | 179.9° | 179.9° |
| CAW | CAH | CAE | H10 | 179.9° | 179.8° |
| CAG | CAE | CAH | H10 | 180.0° | 179.9° |
| CAG | CAE | CAH | H11 | 179.9° | 180.0° |
| CAH | CAE | CAG | H9 | 179.9° | 180.0° |
| H1 | CAI | CAD | H2 | 0.0° | 0.3° |
| H2 | CAD | CAF | H3 | 0.0° | 0.0° |
| H5 | NAO | CAK | H6 | 164.5° | 120.0° |
| H5 | NAO | CAK | H7 | 44.8° | 119.9° |
| H9 | CAG | CAE | H10 | 0.1° | 0.1° |
| H10 | CAE | CAH | H11 | 0.1° | 0.1° |
