UYN
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAI | CAH | sing | 1.51Å | 1.54Å | |
| CAH | CAF | sing | 1.48Å | 1.40Å | |
| CAH | NAJ | doub | 1.30Å | 1.36Å | |
| CAG | CAF | doub | 1.40Å | 1.39Å | Aromatic |
| CAG | CAB | sing | 1.39Å | 1.39Å | Aromatic |
| NAK | NAJ | sing | 1.40Å | 1.36Å | |
| NAK | CAL | sing | 1.37Å | 1.35Å | |
| NAA | CAB | sing | 1.40Å | 1.33Å | |
| NAN | CAL | doub | 1.33Å | 1.34Å | |
| CAF | CAE | sing | 1.39Å | 1.39Å | Aromatic |
| CAB | CAC | doub | 1.39Å | 1.39Å | Aromatic |
| CAL | NAM | sing | 1.33Å | 1.35Å | |
| CAE | CAD | doub | 1.39Å | 1.40Å | Aromatic |
| CAC | CAD | sing | 1.40Å | 1.39Å | Aromatic |
| CAD | CAO | sing | 1.48Å | 1.39Å | |
| CAO | CAP | sing | 1.51Å | 1.53Å | |
| CAO | NAQ | doub | 1.30Å | 1.34Å | |
| NAQ | NAR | sing | 1.40Å | 1.35Å | |
| NAR | CAS | sing | 1.37Å | 1.34Å | |
| NAT | CAS | doub | 1.33Å | 1.34Å | |
| CAS | NAU | sing | 1.33Å | 1.34Å | |
| CAC | HAC | sing | 1.08Å | 1.08Å | |
| CAE | HAE | sing | 1.08Å | 1.08Å | |
| CAG | HAG | sing | 1.08Å | 1.08Å | |
| CAI | HAI | sing | 1.09Å | 1.10Å | |
| CAI | HAJ | sing | 1.09Å | 1.10Å | |
| CAI | HAK | sing | 1.09Å | 1.10Å | |
| CAP | HAQ | sing | 1.09Å | 1.10Å | |
| CAP | HAR | sing | 1.09Å | 1.10Å | |
| CAP | HAP | sing | 1.09Å | 1.10Å | |
| NAA | HAA | sing | 0.97Å | 1.00Å | |
| NAA | HAU | sing | 0.97Å | 1.00Å | |
| NAK | HAS | sing | 0.97Å | 1.00Å | |
| NAM | HAM | sing | 0.97Å | 1.00Å | |
| NAM | HAV | sing | 0.97Å | 1.00Å | |
| NAN | HAN | sing | 0.97Å | 1.00Å | |
| NAR | HAT | sing | 0.97Å | 1.00Å | |
| NAT | HAW | sing | 0.97Å | 1.00Å | |
| NAU | HAZ | sing | 0.97Å | 1.00Å | |
| NAU | HA0 | sing | 0.97Å | 1.00Å | |
| NAN | HAY | sing | 0.97Å | 1.00Å | |
| NAT | HAX | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAI | CAH | CAF | 118.5° | 120.0° |
| CAI | CAH | NAJ | 121.3° | 120.0° |
| CAH | CAI | HAI | 109.5° | 109.5° |
| CAH | CAI | HAJ | 109.5° | 109.5° |
| CAH | CAI | HAK | 109.5° | 109.5° |
| CAF | CAH | NAJ | 119.9° | 120.0° |
| CAH | CAF | CAG | 118.0° | 120.1° |
| CAH | CAF | CAE | 122.7° | 120.0° |
| CAH | NAJ | NAK | 119.1° | 120.0° |
| CAF | CAG | CAB | 120.9° | 120.1° |
| CAG | CAF | CAE | 119.2° | 119.9° |
| CAF | CAG | HAG | 119.5° | 119.9° |
| CAG | CAB | NAA | 120.2° | 119.9° |
| CAG | CAB | CAC | 119.7° | 120.1° |
| CAB | CAG | HAG | 119.5° | 120.0° |
| NAJ | NAK | CAL | 119.4° | 120.0° |
| NAJ | NAK | HAS | 120.3° | 120.0° |
| NAK | CAL | NAN | 118.3° | 120.0° |
| NAK | CAL | NAM | 122.0° | 120.0° |
| CAL | NAK | HAS | 120.3° | 120.0° |
| NAA | CAB | CAC | 120.0° | 119.9° |
| CAB | NAA | HAA | 109.5° | 120.0° |
| CAB | NAA | HAU | 109.5° | 120.0° |
| NAN | CAL | NAM | 119.7° | 120.0° |
| CAL | NAN | HAN | 120.0° | 120.0° |
| CAL | NAN | HAY | 120.0° | 120.0° |
| CAF | CAE | CAD | 119.7° | 119.8° |
| CAF | CAE | HAE | 120.2° | 120.1° |
| CAB | CAC | CAD | 119.9° | 120.1° |
| CAB | CAC | HAC | 120.1° | 120.0° |
| CAL | NAM | HAM | 120.0° | 120.0° |
| CAL | NAM | HAV | 120.0° | 120.0° |
| CAE | CAD | CAC | 120.5° | 119.9° |
| CAE | CAD | CAO | 121.1° | 120.0° |
| CAD | CAE | HAE | 120.2° | 120.1° |
| CAC | CAD | CAO | 118.2° | 120.1° |
| CAD | CAC | HAC | 120.0° | 119.9° |
| CAD | CAO | CAP | 121.1° | 120.0° |
| CAD | CAO | NAQ | 117.9° | 120.0° |
| CAP | CAO | NAQ | 120.9° | 120.0° |
| CAO | CAP | HAQ | 109.5° | 109.5° |
| CAO | CAP | HAR | 109.5° | 109.5° |
| CAO | CAP | HAP | 109.5° | 109.5° |
| CAO | NAQ | NAR | 119.5° | 120.0° |
| NAQ | NAR | CAS | 116.6° | 120.0° |
| NAQ | NAR | HAT | 121.7° | 120.1° |
| NAR | CAS | NAT | 120.9° | 120.0° |
| NAR | CAS | NAU | 119.0° | 120.0° |
| CAS | NAR | HAT | 121.7° | 120.0° |
| NAT | CAS | NAU | 120.1° | 120.0° |
| CAS | NAT | HAW | 120.0° | 120.0° |
| CAS | NAT | HAX | 120.0° | 120.0° |
| CAS | NAU | HAZ | 120.0° | 120.0° |
| CAS | NAU | HA0 | 120.0° | 120.0° |
| HAI | CAI | HAJ | 109.5° | 109.5° |
| HAI | CAI | HAK | 109.5° | 109.5° |
| HAJ | CAI | HAK | 109.5° | 109.4° |
| HAQ | CAP | HAR | 109.4° | 109.5° |
| HAQ | CAP | HAP | 109.5° | 109.4° |
| HAR | CAP | HAP | 109.5° | 109.5° |
| HAA | NAA | HAU | 109.5° | 120.0° |
| HAM | NAM | HAV | 120.0° | 120.0° |
| HAN | NAN | HAY | 120.0° | 120.0° |
| HAW | NAT | HAX | 120.0° | 120.0° |
| HAZ | NAU | HA0 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAI | CAH | CAF | NAJ | 174.5° | 180.0° |
| CAI | CAH | CAF | CAG | 26.4° | 0.0° |
| CAI | CAH | NAJ | NAK | 2.4° | 0.0° |
| CAI | CAH | CAF | CAE | 155.8° | 180.0° |
| CAH | CAI | HAI | HAJ | 120.0° | 120.0° |
| CAH | CAI | HAI | HAK | 120.0° | 120.0° |
| CAH | CAI | HAJ | HAK | 120.0° | 120.0° |
| CAH | CAF | CAG | CAE | 177.8° | 180.0° |
| CAH | CAF | CAG | CAB | 178.8° | 180.0° |
| CAF | CAH | NAJ | NAK | 176.8° | 180.0° |
| CAH | CAF | CAE | CAD | 179.7° | 180.0° |
| CAH | CAF | CAE | HAE | 0.3° | 0.0° |
| CAH | CAF | CAG | HAG | 1.2° | 0.0° |
| CAF | CAH | CAI | HAI | 180.0° | 90.0° |
| CAF | CAH | CAI | HAJ | 60.0° | 150.0° |
| CAF | CAH | CAI | HAK | 60.0° | 30.1° |
| NAJ | CAH | CAF | CAG | 148.1° | 180.0° |
| CAH | NAJ | NAK | CAL | 178.7° | 180.0° |
| NAJ | CAH | CAF | CAE | 29.7° | 0.0° |
| NAJ | CAH | CAI | HAI | 5.6° | 90.0° |
| NAJ | CAH | CAI | HAJ | 125.6° | 30.1° |
| NAJ | CAH | CAI | HAK | 114.4° | 150.0° |
| CAH | NAJ | NAK | HAS | 1.3° | 0.0° |
| CAF | CAG | CAB | HAG | 180.0° | 180.0° |
| CAF | CAG | CAB | NAA | 179.5° | 179.7° |
| CAF | CAG | CAB | CAC | 0.5° | 0.0° |
| CAG | CAF | CAE | CAD | 2.0° | 0.0° |
| CAG | CAF | CAE | HAE | 178.1° | 180.0° |
| CAG | CAB | NAA | CAC | 179.9° | 179.8° |
| CAB | CAG | CAF | CAE | 1.0° | 0.0° |
| CAG | CAB | CAC | CAD | 1.1° | 0.0° |
| CAG | CAB | CAC | HAC | 178.9° | 179.9° |
| CAG | CAB | NAA | HAA | 180.0° | 179.7° |
| CAG | CAB | NAA | HAU | 60.0° | 0.2° |
| NAJ | NAK | CAL | HAS | 180.0° | 180.0° |
| NAJ | NAK | CAL | NAN | 179.7° | 180.0° |
| NAJ | NAK | CAL | NAM | 0.0° | 0.0° |
| NAK | CAL | NAN | NAM | 179.7° | 180.0° |
| NAK | CAL | NAM | HAM | 179.8° | 0.0° |
| NAK | CAL | NAM | HAV | 0.3° | 180.0° |
| NAK | CAL | NAN | HAN | 179.7° | 180.0° |
| NAK | CAL | NAN | HAY | 0.3° | 0.0° |
| NAA | CAB | CAC | CAD | 179.0° | 179.7° |
| NAA | CAB | CAC | HAC | 1.0° | 0.3° |
| NAA | CAB | CAG | HAG | 0.5° | 0.2° |
| CAB | NAA | HAA | HAU | 120.0° | 180.0° |
| NAN | CAL | NAK | HAS | 0.3° | 0.0° |
| NAN | CAL | NAM | HAM | 0.0° | 180.0° |
| NAN | CAL | NAM | HAV | 180.0° | 0.0° |
| CAL | NAN | HAN | HAY | 180.0° | 180.0° |
| CAF | CAE | CAD | HAE | 180.0° | 180.0° |
| CAF | CAE | CAD | CAC | 2.5° | 0.0° |
| CAF | CAE | CAD | CAO | 179.0° | 180.0° |
| CAE | CAF | CAG | HAG | 179.0° | 180.0° |
| CAB | CAC | CAD | CAE | 2.1° | 0.0° |
| CAB | CAC | CAD | HAC | 180.0° | 180.0° |
| CAB | CAC | CAD | CAO | 178.6° | 180.0° |
| CAC | CAB | CAG | HAG | 179.5° | 180.0° |
| CAC | CAB | NAA | HAA | 0.1° | 0.0° |
| CAC | CAB | NAA | HAU | 119.9° | 180.0° |
| NAM | CAL | NAK | HAS | 180.0° | 180.0° |
| CAL | NAM | HAM | HAV | 179.9° | 180.0° |
| NAM | CAL | NAN | HAN | 0.0° | 0.0° |
| NAM | CAL | NAN | HAY | 180.0° | 180.0° |
| CAE | CAD | CAC | CAO | 176.5° | 179.9° |
| CAE | CAD | CAO | CAP | 30.8° | 180.0° |
| CAE | CAD | CAO | NAQ | 147.1° | 0.1° |
| CAE | CAD | CAC | HAC | 177.9° | 179.9° |
| CAC | CAD | CAO | CAP | 152.7° | 0.0° |
| CAC | CAD | CAO | NAQ | 29.4° | 180.0° |
| CAC | CAD | CAE | HAE | 177.5° | 180.0° |
| CAD | CAO | CAP | NAQ | 177.8° | 179.9° |
| CAD | CAO | NAQ | NAR | 177.3° | 180.0° |
| CAO | CAD | CAC | HAC | 1.4° | 0.0° |
| CAO | CAD | CAE | HAE | 1.1° | 0.0° |
| CAD | CAO | CAP | HAQ | 180.0° | 90.0° |
| CAD | CAO | CAP | HAR | 60.0° | 150.0° |
| CAD | CAO | CAP | HAP | 60.0° | 30.0° |
| CAP | CAO | NAQ | NAR | 0.6° | 0.0° |
| CAO | CAP | HAQ | HAR | 120.0° | 120.0° |
| CAO | CAP | HAQ | HAP | 120.0° | 120.0° |
| CAO | CAP | HAR | HAP | 120.0° | 120.0° |
| CAO | NAQ | NAR | CAS | 179.2° | 179.9° |
| NAQ | CAO | CAP | HAQ | 2.2° | 90.0° |
| NAQ | CAO | CAP | HAR | 122.2° | 30.0° |
| NAQ | CAO | CAP | HAP | 117.8° | 150.0° |
| CAO | NAQ | NAR | HAT | 0.9° | 0.0° |
| NAQ | NAR | CAS | HAT | 180.0° | 179.9° |
| NAQ | NAR | CAS | NAT | 0.2° | 180.0° |
| NAQ | NAR | CAS | NAU | 179.3° | 0.0° |
| NAR | CAS | NAT | NAU | 179.6° | 180.0° |
| NAR | CAS | NAT | HAW | 179.5° | 179.9° |
| NAR | CAS | NAU | HAZ | 179.6° | 0.0° |
| NAR | CAS | NAU | HA0 | 0.4° | 179.9° |
| NAR | CAS | NAT | HAX | 0.4° | 0.0° |
| NAT | CAS | NAR | HAT | 179.7° | 0.1° |
| CAS | NAT | HAW | HAX | 180.0° | 179.9° |
| NAT | CAS | NAU | HAZ | 0.0° | 180.0° |
| NAT | CAS | NAU | HA0 | 180.0° | 0.0° |
| NAU | CAS | NAR | HAT | 0.7° | 180.0° |
| NAU | CAS | NAT | HAW | 0.0° | 0.0° |
| CAS | NAU | HAZ | HA0 | 180.0° | 180.0° |
| NAU | CAS | NAT | HAX | 180.0° | 180.0° |
| HAI | CAI | HAJ | HAK | 120.0° | 120.0° |
| HAQ | CAP | HAR | HAP | 120.0° | 120.0° |
