UYS
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| NAK | CAI | sing | 1.36Å | 1.32Å | |
| NAJ | CAI | sing | 1.36Å | 1.32Å | |
| CAI | NAH | doub | 1.32Å | 1.38Å | |
| NAH | CAG | sing | 1.34Å | 1.38Å | |
| OAL | CAG | doub | 1.22Å | 1.22Å | |
| CAG | CAE | sing | 1.48Å | 1.51Å | |
| CAW | CAX | doub | 1.38Å | 1.40Å | Aromatic |
| CAW | CAV | sing | 1.38Å | 1.40Å | Aromatic |
| CAX | CAS | sing | 1.40Å | 1.40Å | Aromatic |
| CAE | NAF | doub | 1.33Å | 1.37Å | Aromatic |
| CAE | CAD | sing | 1.41Å | 1.42Å | Aromatic |
| NAF | CAA | sing | 1.33Å | 1.36Å | Aromatic |
| CAV | CAU | doub | 1.38Å | 1.40Å | Aromatic |
| CAS | CAR | sing | 1.43Å | 1.43Å | |
| CAS | CAT | doub | 1.40Å | 1.41Å | Aromatic |
| CAR | CAQ | trip | 1.17Å | 1.20Å | |
| CAQ | CAA | sing | 1.43Å | 1.43Å | |
| CAD | NAM | sing | 1.38Å | 1.36Å | |
| CAD | NAC | doub | 1.33Å | 1.33Å | Aromatic |
| CAA | CAB | doub | 1.41Å | 1.45Å | Aromatic |
| CAU | CAT | sing | 1.38Å | 1.40Å | Aromatic |
| NAC | CAB | sing | 1.33Å | 1.35Å | Aromatic |
| CAB | NAN | sing | 1.38Å | 1.41Å | |
| NAN | C01 | sing | 1.47Å | 1.48Å | |
| NAN | C02 | sing | 1.47Å | 1.49Å | |
| CAT | H04 | sing | 1.08Å | 1.08Å | |
| CAU | H05 | sing | 1.08Å | 1.08Å | |
| CAV | H03 | sing | 1.08Å | 1.08Å | |
| CAW | H02 | sing | 1.08Å | 1.08Å | |
| CAX | H01 | sing | 1.08Å | 1.08Å | |
| NAJ | HAZ | sing | 0.97Å | 1.00Å | |
| NAJ | HAJ | sing | 0.97Å | 1.00Å | |
| NAK | HAK | sing | 0.97Å | 1.00Å | |
| NAM | HAM | sing | 0.97Å | 1.00Å | |
| NAM | HA0 | sing | 0.97Å | 1.00Å | |
| C01 | H10 | sing | 1.09Å | 1.10Å | |
| C01 | H11 | sing | 1.09Å | 1.10Å | |
| C01 | H09 | sing | 1.09Å | 1.10Å | |
| C02 | H12 | sing | 1.09Å | 1.10Å | |
| C02 | H13 | sing | 1.09Å | 1.10Å | |
| C02 | H08 | sing | 1.09Å | 1.10Å | |
| NAK | HA1 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| NAK | CAI | NAJ | 124.7° | 119.9° |
| NAK | CAI | NAH | 114.7° | 120.0° |
| CAI | NAK | HAK | 120.0° | 120.0° |
| CAI | NAK | HA1 | 120.0° | 120.0° |
| NAJ | CAI | NAH | 115.8° | 120.0° |
| CAI | NAJ | HAZ | 120.0° | 120.0° |
| CAI | NAJ | HAJ | 120.0° | 120.1° |
| CAI | NAH | CAG | 126.6° | 120.0° |
| NAH | CAG | OAL | 122.0° | 120.0° |
| NAH | CAG | CAE | 114.3° | 120.0° |
| OAL | CAG | CAE | 123.7° | 120.0° |
| CAG | CAE | NAF | 118.8° | 120.0° |
| CAG | CAE | CAD | 120.0° | 120.0° |
| CAX | CAW | CAV | 120.1° | 120.2° |
| CAW | CAX | CAS | 119.8° | 119.8° |
| CAX | CAW | H02 | 120.0° | 119.9° |
| CAW | CAX | H01 | 120.1° | 120.1° |
| CAW | CAV | CAU | 120.1° | 120.3° |
| CAW | CAV | H03 | 119.9° | 119.8° |
| CAV | CAW | H02 | 120.0° | 119.9° |
| CAX | CAS | CAR | 119.9° | 120.2° |
| CAX | CAS | CAT | 120.1° | 119.7° |
| CAS | CAX | H01 | 120.1° | 120.1° |
| NAF | CAE | CAD | 121.2° | 120.0° |
| CAE | NAF | CAA | 115.5° | 120.0° |
| CAE | CAD | NAM | 127.2° | 119.9° |
| CAE | CAD | NAC | 123.9° | 120.1° |
| NAF | CAA | CAQ | 112.6° | 120.0° |
| NAF | CAA | CAB | 122.3° | 119.9° |
| CAV | CAU | CAT | 119.8° | 120.2° |
| CAV | CAU | H05 | 120.1° | 119.9° |
| CAU | CAV | H03 | 119.9° | 119.9° |
| CAR | CAS | CAT | 120.0° | 120.2° |
| CAS | CAR | CAQ | 178.6° | 179.9° |
| CAS | CAT | CAU | 120.0° | 119.8° |
| CAS | CAT | H04 | 120.0° | 120.1° |
| CAR | CAQ | CAA | 178.9° | 179.9° |
| CAQ | CAA | CAB | 125.0° | 120.0° |
| NAM | CAD | NAC | 108.9° | 120.0° |
| CAD | NAM | HAM | 109.5° | 120.0° |
| CAD | NAM | HA0 | 109.5° | 120.1° |
| CAD | NAC | CAB | 115.9° | 120.0° |
| CAA | CAB | NAC | 121.2° | 120.0° |
| CAA | CAB | NAN | 126.5° | 120.0° |
| CAU | CAT | H04 | 120.0° | 120.1° |
| CAT | CAU | H05 | 120.1° | 119.9° |
| NAC | CAB | NAN | 112.2° | 120.0° |
| CAB | NAN | C01 | 123.3° | 111.0° |
| CAB | NAN | C02 | 123.4° | 111.0° |
| C01 | NAN | C02 | 113.2° | 111.0° |
| NAN | C01 | H10 | 109.5° | 109.5° |
| NAN | C01 | H11 | 109.5° | 109.5° |
| NAN | C01 | H09 | 109.4° | 109.5° |
| NAN | C02 | H12 | 109.5° | 109.4° |
| NAN | C02 | H13 | 109.5° | 109.4° |
| NAN | C02 | H08 | 109.4° | 109.4° |
| HAZ | NAJ | HAJ | 120.0° | 119.9° |
| HAK | NAK | HA1 | 120.0° | 120.0° |
| HAM | NAM | HA0 | 109.5° | 120.0° |
| H10 | C01 | H11 | 109.4° | 109.5° |
| H10 | C01 | H09 | 109.5° | 109.5° |
| H11 | C01 | H09 | 109.5° | 109.5° |
| H12 | C02 | H13 | 109.5° | 109.5° |
| H12 | C02 | H08 | 109.5° | 109.5° |
| H13 | C02 | H08 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| NAK | CAI | NAJ | NAH | 154.2° | 180.0° |
| NAK | CAI | NAH | CAG | 163.1° | 175.4° |
| NAK | CAI | NAJ | HAZ | 154.2° | 175.1° |
| NAK | CAI | NAJ | HAJ | 25.8° | 5.0° |
| CAI | NAK | HAK | HA1 | 180.0° | 179.9° |
| NAJ | CAI | NAH | CAG | 40.1° | 4.6° |
| CAI | NAJ | HAZ | HAJ | 180.0° | 179.9° |
| NAJ | CAI | NAK | HAK | 154.4° | 180.0° |
| NAJ | CAI | NAK | HA1 | 25.6° | 0.1° |
| CAI | NAH | CAG | OAL | 2.7° | 57.9° |
| CAI | NAH | CAG | CAE | 176.6° | 122.0° |
| NAH | CAI | NAJ | HAZ | 0.0° | 4.9° |
| NAH | CAI | NAJ | HAJ | 180.0° | 175.0° |
| NAH | CAI | NAK | HAK | 0.0° | 0.0° |
| NAH | CAI | NAK | HA1 | 180.0° | 179.9° |
| NAH | CAG | OAL | CAE | 179.3° | 180.0° |
| NAH | CAG | CAE | NAF | 2.1° | 6.5° |
| NAH | CAG | CAE | CAD | 179.0° | 174.0° |
| OAL | CAG | CAE | NAF | 178.6° | 173.5° |
| OAL | CAG | CAE | CAD | 0.3° | 6.0° |
| CAG | CAE | NAF | CAD | 178.9° | 179.5° |
| CAG | CAE | NAF | CAA | 176.4° | 180.0° |
| CAG | CAE | CAD | NAM | 2.2° | 0.3° |
| CAG | CAE | CAD | NAC | 177.0° | 179.7° |
| CAX | CAW | CAV | H02 | 180.0° | 179.4° |
| CAW | CAX | CAS | H01 | 180.0° | 179.5° |
| CAX | CAW | CAV | CAU | 0.5° | 0.3° |
| CAW | CAX | CAS | CAR | 179.5° | 179.8° |
| CAW | CAX | CAS | CAT | 1.7° | 0.5° |
| CAX | CAW | CAV | H03 | 179.5° | 179.8° |
| CAV | CAW | CAX | CAS | 0.6° | 0.5° |
| CAW | CAV | CAU | H03 | 180.0° | 180.0° |
| CAW | CAV | CAU | CAT | 0.6° | 0.0° |
| CAW | CAV | CAU | H05 | 179.4° | 179.9° |
| CAV | CAW | CAX | H01 | 179.4° | 180.0° |
| CAX | CAS | CAR | CAT | 178.8° | 179.7° |
| CAX | CAS | CAR | CAQ | 174.7° | 76.3° |
| CAX | CAS | CAT | CAU | 1.7° | 0.3° |
| CAX | CAS | CAT | H04 | 178.4° | 179.8° |
| CAS | CAX | CAW | H02 | 179.4° | 180.0° |
| CAE | NAF | CAA | CAQ | 174.8° | 179.7° |
| NAF | CAE | CAD | NAM | 178.9° | 179.8° |
| NAF | CAE | CAD | NAC | 1.8° | 0.8° |
| CAE | NAF | CAA | CAB | 1.8° | 0.0° |
| CAD | CAE | NAF | CAA | 2.5° | 0.5° |
| CAE | CAD | NAM | NAC | 179.4° | 179.4° |
| CAE | CAD | NAC | CAB | 0.2° | 0.5° |
| CAE | CAD | NAM | HAM | 179.3° | 174.5° |
| CAE | CAD | NAM | HA0 | 60.6° | 5.4° |
| NAF | CAA | CAQ | CAR | 176.9° | 76.3° |
| NAF | CAA | CAQ | CAB | 176.5° | 179.7° |
| NAF | CAA | CAB | NAC | 0.3° | 0.3° |
| NAF | CAA | CAB | NAN | 176.4° | 179.7° |
| CAV | CAU | CAT | CAS | 0.5° | 0.0° |
| CAV | CAU | CAT | H05 | 180.0° | 179.9° |
| CAV | CAU | CAT | H04 | 179.5° | 180.0° |
| CAU | CAV | CAW | H02 | 179.4° | 179.7° |
| CAS | CAR | CAQ | CAA | 1.0° | 180.0° |
| CAR | CAS | CAT | CAU | 179.6° | 179.9° |
| CAR | CAS | CAT | H04 | 0.4° | 0.1° |
| CAR | CAS | CAX | H01 | 0.4° | 0.3° |
| CAT | CAS | CAR | CAQ | 4.0° | 104.0° |
| CAS | CAT | CAU | H04 | 180.0° | 180.0° |
| CAS | CAT | CAU | H05 | 179.5° | 179.9° |
| CAT | CAS | CAX | H01 | 178.3° | 180.0° |
| CAR | CAQ | CAA | CAB | 6.7° | 104.0° |
| CAQ | CAA | CAB | NAC | 175.8° | 179.9° |
| CAQ | CAA | CAB | NAN | 0.3° | 0.0° |
| NAM | CAD | NAC | CAB | 179.6° | 180.0° |
| CAD | NAM | HAM | HA0 | 120.0° | 179.9° |
| CAD | NAC | CAB | CAA | 0.5° | 0.0° |
| CAD | NAC | CAB | NAN | 176.1° | 180.0° |
| NAC | CAD | NAM | HAM | 0.0° | 6.1° |
| NAC | CAD | NAM | HA0 | 120.0° | 174.1° |
| CAA | CAB | NAC | NAN | 176.6° | 180.0° |
| CAA | CAB | NAN | C01 | 23.8° | 115.0° |
| CAA | CAB | NAN | C02 | 157.2° | 121.0° |
| CAT | CAU | CAV | H03 | 179.4° | 180.0° |
| NAC | CAB | NAN | C01 | 159.8° | 65.0° |
| NAC | CAB | NAN | C02 | 19.2° | 59.0° |
| CAB | NAN | C01 | C02 | 179.1° | 124.0° |
| CAB | NAN | C01 | H10 | 180.0° | 60.0° |
| CAB | NAN | C01 | H11 | 60.0° | 180.0° |
| CAB | NAN | C01 | H09 | 60.0° | 60.0° |
| CAB | NAN | C02 | H12 | 180.0° | 64.9° |
| CAB | NAN | C02 | H13 | 60.0° | 175.1° |
| CAB | NAN | C02 | H08 | 60.0° | 55.1° |
| NAN | C01 | H10 | H11 | 120.0° | 120.0° |
| NAN | C01 | H10 | H09 | 120.0° | 120.0° |
| NAN | C01 | H11 | H09 | 120.0° | 120.0° |
| C01 | NAN | C02 | H12 | 0.9° | 171.1° |
| C01 | NAN | C02 | H13 | 119.1° | 51.1° |
| C01 | NAN | C02 | H08 | 120.9° | 68.9° |
| C02 | NAN | C01 | H10 | 0.9° | 64.0° |
| C02 | NAN | C01 | H11 | 120.9° | 56.0° |
| C02 | NAN | C01 | H09 | 119.1° | 176.0° |
| NAN | C02 | H12 | H13 | 120.0° | 120.0° |
| NAN | C02 | H12 | H08 | 120.0° | 119.9° |
| NAN | C02 | H13 | H08 | 120.0° | 120.0° |
| H04 | CAT | CAU | H05 | 0.5° | 0.0° |
| H05 | CAU | CAV | H03 | 0.6° | 0.0° |
| H03 | CAV | CAW | H02 | 0.5° | 0.3° |
| H02 | CAW | CAX | H01 | 0.6° | 0.5° |
| H10 | C01 | H11 | H09 | 120.0° | 120.0° |
| H12 | C02 | H13 | H08 | 120.0° | 120.1° |
