UEN
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAK | CAI | sing | 1.53Å | 1.53Å | |
| CAK | CAX | sing | 1.53Å | 1.50Å | |
| CAI | CAH | sing | 1.53Å | 1.54Å | |
| CAH | CAJ | sing | 1.53Å | 1.52Å | |
| CAJ | CAL | sing | 1.53Å | 1.50Å | |
| CAL | CAX | sing | 1.53Å | 1.52Å | |
| CAX | NAO | sing | 1.47Å | 1.46Å | |
| NAO | C6 | sing | 1.38Å | 1.46Å | |
| C6 | C5 | doub | 1.40Å | 1.44Å | Aromatic |
| C6 | N1 | sing | 1.33Å | 1.35Å | Aromatic |
| C5 | C4 | sing | 1.41Å | 1.35Å | Aromatic |
| C5 | CAT | sing | 1.47Å | 1.33Å | Aromatic |
| N1 | C2 | doub | 1.33Å | 1.36Å | Aromatic |
| C2 | NAA | sing | 1.39Å | 1.38Å | |
| C2 | N3 | sing | 1.32Å | 1.34Å | Aromatic |
| N3 | C4 | doub | 1.33Å | 1.36Å | Aromatic |
| C4 | NAP | sing | 1.37Å | 1.39Å | Aromatic |
| NAP | CAG | sing | 1.37Å | 1.44Å | Aromatic |
| CAG | CAT | doub | 1.36Å | 1.38Å | Aromatic |
| CAT | CAS | sing | 1.48Å | 1.53Å | |
| CAS | CAE | sing | 1.40Å | 1.44Å | Aromatic |
| CAS | CAF | doub | 1.39Å | 1.49Å | Aromatic |
| CAE | CAC | doub | 1.38Å | 1.38Å | Aromatic |
| CAC | CAQ | sing | 1.39Å | 1.29Å | Aromatic |
| CAQ | FAB | sing | 1.35Å | 1.33Å | |
| CAQ | CAD | doub | 1.39Å | 1.29Å | Aromatic |
| CAD | CAF | sing | 1.38Å | 1.40Å | Aromatic |
| CAK | HAK1 | sing | 1.09Å | 1.10Å | |
| CAK | HAK2 | sing | 1.09Å | 1.10Å | |
| CAI | HAI1 | sing | 1.09Å | 1.10Å | |
| CAI | HAI2 | sing | 1.09Å | 1.10Å | |
| CAX | HAX | sing | 1.09Å | 1.10Å | |
| CAH | HAH1 | sing | 1.09Å | 1.10Å | |
| CAH | HAH2 | sing | 1.09Å | 1.10Å | |
| CAJ | HAJ1 | sing | 1.09Å | 1.10Å | |
| CAJ | HAJ2 | sing | 1.09Å | 1.10Å | |
| CAL | HAL1 | sing | 1.09Å | 1.10Å | |
| CAL | HAL2 | sing | 1.09Å | 1.10Å | |
| NAO | HAO | sing | 0.97Å | 1.00Å | |
| NAA | HAA1 | sing | 0.97Å | 1.00Å | |
| NAA | HAA2 | sing | 0.97Å | 1.00Å | |
| CAG | HAG | sing | 1.08Å | 1.08Å | |
| CAE | HAE | sing | 1.08Å | 1.08Å | |
| CAF | HAF | sing | 1.08Å | 1.08Å | |
| CAC | HAC | sing | 1.08Å | 1.08Å | |
| CAD | HAD | sing | 1.08Å | 1.08Å | |
| NAP | HAP | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAI | CAK | CAX | 111.2° | 109.5° |
| CAK | CAI | CAH | 113.0° | 109.5° |
| CAI | CAK | HAK1 | 109.0° | 109.4° |
| CAI | CAK | HAK2 | 109.1° | 109.5° |
| CAK | CAI | HAI1 | 108.6° | 109.5° |
| CAK | CAI | HAI2 | 108.6° | 109.4° |
| CAK | CAX | CAL | 109.7° | 109.4° |
| CAK | CAX | NAO | 110.9° | 109.4° |
| CAX | CAK | HAK1 | 109.1° | 109.5° |
| CAX | CAK | HAK2 | 109.0° | 109.5° |
| CAK | CAX | HAX | 109.0° | 109.5° |
| CAI | CAH | CAJ | 111.1° | 109.4° |
| CAH | CAI | HAI1 | 108.6° | 109.5° |
| CAH | CAI | HAI2 | 108.6° | 109.4° |
| CAI | CAH | HAH1 | 109.1° | 109.5° |
| CAI | CAH | HAH2 | 109.1° | 109.4° |
| CAH | CAJ | CAL | 110.2° | 109.5° |
| CAJ | CAH | HAH1 | 109.0° | 109.5° |
| CAJ | CAH | HAH2 | 109.1° | 109.5° |
| CAH | CAJ | HAJ1 | 109.3° | 109.4° |
| CAH | CAJ | HAJ2 | 109.3° | 109.5° |
| CAJ | CAL | CAX | 109.0° | 109.5° |
| CAL | CAJ | HAJ1 | 109.3° | 109.5° |
| CAL | CAJ | HAJ2 | 109.3° | 109.5° |
| CAJ | CAL | HAL1 | 109.6° | 109.5° |
| CAJ | CAL | HAL2 | 109.6° | 109.5° |
| CAL | CAX | NAO | 108.8° | 109.5° |
| CAL | CAX | HAX | 108.8° | 109.5° |
| CAX | CAL | HAL1 | 109.6° | 109.5° |
| CAX | CAL | HAL2 | 109.6° | 109.5° |
| CAX | NAO | C6 | 122.0° | 120.0° |
| NAO | CAX | HAX | 109.6° | 109.5° |
| CAX | NAO | HAO | 106.2° | 120.0° |
| NAO | C6 | C5 | 126.3° | 120.8° |
| NAO | C6 | N1 | 115.1° | 120.8° |
| C6 | NAO | HAO | 106.3° | 120.0° |
| C5 | C6 | N1 | 118.6° | 118.4° |
| C6 | C5 | C4 | 115.9° | 118.9° |
| C6 | C5 | CAT | 130.3° | 134.9° |
| C6 | N1 | C2 | 122.3° | 120.9° |
| C4 | C5 | CAT | 113.8° | 106.2° |
| C5 | C4 | N3 | 124.5° | 118.6° |
| C5 | C4 | NAP | 105.8° | 107.4° |
| C5 | CAT | CAG | 106.7° | 106.5° |
| C5 | CAT | CAS | 135.0° | 126.7° |
| N1 | C2 | NAA | 119.4° | 118.7° |
| N1 | C2 | N3 | 120.0° | 122.5° |
| NAA | C2 | N3 | 120.5° | 118.8° |
| C2 | NAA | HAA1 | 109.5° | 120.0° |
| C2 | NAA | HAA2 | 109.5° | 120.0° |
| C2 | N3 | C4 | 118.6° | 120.7° |
| N3 | C4 | NAP | 129.7° | 134.0° |
| C4 | NAP | CAG | 107.1° | 110.3° |
| C4 | NAP | HAP | 126.5° | 124.9° |
| NAP | CAG | CAT | 106.6° | 109.6° |
| NAP | CAG | HAG | 126.7° | 125.2° |
| CAG | NAP | HAP | 126.4° | 124.8° |
| CAG | CAT | CAS | 118.2° | 126.7° |
| CAT | CAG | HAG | 126.7° | 125.2° |
| CAT | CAS | CAE | 126.6° | 120.1° |
| CAT | CAS | CAF | 124.8° | 120.1° |
| CAE | CAS | CAF | 108.1° | 119.8° |
| CAS | CAE | CAC | 123.9° | 119.8° |
| CAS | CAE | HAE | 118.0° | 120.1° |
| CAS | CAF | CAD | 123.0° | 119.9° |
| CAS | CAF | HAF | 118.5° | 120.1° |
| CAE | CAC | CAQ | 122.4° | 120.2° |
| CAC | CAE | HAE | 118.1° | 120.1° |
| CAE | CAC | HAC | 118.8° | 119.9° |
| CAC | CAQ | FAB | 117.9° | 119.9° |
| CAC | CAQ | CAD | 121.5° | 120.2° |
| CAQ | CAC | HAC | 118.8° | 119.9° |
| FAB | CAQ | CAD | 120.6° | 119.9° |
| CAQ | CAD | CAF | 120.8° | 120.1° |
| CAQ | CAD | HAD | 119.6° | 119.9° |
| CAD | CAF | HAF | 118.5° | 120.0° |
| CAF | CAD | HAD | 119.6° | 120.0° |
| HAK1 | CAK | HAK2 | 109.5° | 109.4° |
| HAI1 | CAI | HAI2 | 109.5° | 109.5° |
| HAH1 | CAH | HAH2 | 109.5° | 109.5° |
| HAJ1 | CAJ | HAJ2 | 109.5° | 109.4° |
| HAL1 | CAL | HAL2 | 109.5° | 109.4° |
| HAA1 | NAA | HAA2 | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAI | CAK | CAX | HAK1 | 120.3° | 120.0° |
| CAI | CAK | CAX | HAK2 | 120.3° | 120.0° |
| CAK | CAI | CAH | HAI1 | 120.5° | 120.0° |
| CAK | CAI | CAH | HAI2 | 120.5° | 119.9° |
| CAK | CAI | CAH | CAJ | 49.0° | 59.9° |
| CAI | CAK | CAX | CAL | 57.1° | 60.0° |
| CAI | CAK | CAX | NAO | 177.3° | 180.0° |
| CAI | CAK | HAK1 | HAK2 | 119.3° | 120.0° |
| CAK | CAI | HAI1 | HAI2 | 118.4° | 120.0° |
| CAI | CAK | CAX | HAX | 62.0° | 60.0° |
| CAK | CAI | CAH | HAH1 | 71.3° | 180.0° |
| CAK | CAI | CAH | HAH2 | 169.2° | 60.0° |
| CAX | CAK | CAI | CAH | 50.3° | 60.0° |
| CAK | CAX | CAL | CAJ | 63.9° | 60.0° |
| CAK | CAX | CAL | NAO | 121.4° | 119.9° |
| CAK | CAX | CAL | HAX | 119.2° | 120.0° |
| CAK | CAX | NAO | HAX | 120.4° | 120.0° |
| CAK | CAX | NAO | C6 | 168.2° | 155.0° |
| CAX | CAK | HAK1 | HAK2 | 119.2° | 120.0° |
| CAX | CAK | CAI | HAI1 | 170.8° | 179.9° |
| CAX | CAK | CAI | HAI2 | 70.2° | 59.9° |
| CAK | CAX | CAL | HAL1 | 56.1° | 60.0° |
| CAK | CAX | CAL | HAL2 | 176.2° | 179.9° |
| CAK | CAX | NAO | HAO | 46.4° | 25.0° |
| CAI | CAH | CAJ | HAH1 | 120.3° | 120.0° |
| CAI | CAH | CAJ | HAH2 | 120.3° | 119.9° |
| CAI | CAH | CAJ | CAL | 55.2° | 60.0° |
| CAH | CAI | CAK | HAK1 | 170.6° | 60.0° |
| CAH | CAI | CAK | HAK2 | 69.9° | 180.0° |
| CAH | CAI | HAI1 | HAI2 | 118.4° | 120.0° |
| CAI | CAH | HAH1 | HAH2 | 119.2° | 119.9° |
| CAI | CAH | CAJ | HAJ1 | 175.3° | 180.0° |
| CAI | CAH | CAJ | HAJ2 | 64.9° | 60.1° |
| CAH | CAJ | CAL | HAJ1 | 120.1° | 120.0° |
| CAH | CAJ | CAL | HAJ2 | 120.1° | 120.1° |
| CAH | CAJ | CAL | CAX | 62.8° | 60.0° |
| CAJ | CAH | CAI | HAI1 | 169.5° | 180.0° |
| CAJ | CAH | CAI | HAI2 | 71.6° | 60.0° |
| CAJ | CAH | HAH1 | HAH2 | 119.2° | 120.1° |
| CAH | CAJ | HAJ1 | HAJ2 | 119.7° | 119.9° |
| CAH | CAJ | CAL | HAL1 | 57.1° | 60.0° |
| CAH | CAJ | CAL | HAL2 | 177.2° | 180.0° |
| CAJ | CAL | CAX | HAL1 | 120.0° | 120.0° |
| CAJ | CAL | CAX | HAL2 | 119.9° | 120.0° |
| CAJ | CAL | CAX | NAO | 174.7° | 180.0° |
| CAJ | CAL | CAX | HAX | 55.3° | 60.0° |
| CAL | CAJ | CAH | HAH1 | 65.1° | 180.0° |
| CAL | CAJ | CAH | HAH2 | 175.5° | 59.9° |
| CAL | CAJ | HAJ1 | HAJ2 | 119.7° | 120.0° |
| CAJ | CAL | HAL1 | HAL2 | 120.2° | 120.0° |
| CAL | CAX | NAO | HAX | 118.9° | 120.0° |
| CAL | CAX | NAO | C6 | 71.2° | 85.0° |
| CAL | CAX | CAK | HAK1 | 177.4° | 60.0° |
| CAL | CAX | CAK | HAK2 | 63.1° | 180.0° |
| CAX | CAL | CAJ | HAJ1 | 177.1° | 180.0° |
| CAX | CAL | CAJ | HAJ2 | 57.3° | 60.0° |
| CAX | CAL | HAL1 | HAL2 | 120.2° | 120.0° |
| CAL | CAX | NAO | HAO | 167.1° | 95.0° |
| CAX | NAO | C6 | HAO | 121.8° | 180.0° |
| CAX | NAO | C6 | C5 | 175.2° | 180.0° |
| CAX | NAO | C6 | N1 | 6.6° | 0.0° |
| NAO | CAX | CAK | HAK1 | 62.5° | 60.0° |
| NAO | CAX | CAK | HAK2 | 57.0° | 60.0° |
| NAO | CAX | CAL | HAL1 | 65.3° | 59.9° |
| NAO | CAX | CAL | HAL2 | 54.8° | 60.0° |
| NAO | C6 | C5 | N1 | 178.2° | 180.0° |
| NAO | C6 | C5 | C4 | 179.4° | 180.0° |
| NAO | C6 | C5 | CAT | 0.1° | 0.3° |
| NAO | C6 | N1 | C2 | 178.2° | 180.0° |
| C6 | NAO | CAX | HAX | 47.8° | 35.0° |
| C6 | C5 | C4 | CAT | 179.6° | 179.7° |
| C5 | C6 | N1 | C2 | 3.4° | 0.0° |
| C6 | C5 | C4 | N3 | 0.7° | 0.2° |
| C6 | C5 | C4 | NAP | 179.9° | 179.8° |
| C6 | C5 | CAT | CAG | 179.3° | 179.7° |
| C6 | C5 | CAT | CAS | 4.3° | 0.3° |
| C5 | C6 | NAO | HAO | 63.1° | 0.0° |
| N1 | C6 | C5 | C4 | 1.2° | 0.0° |
| N1 | C6 | C5 | CAT | 178.3° | 179.6° |
| C6 | N1 | C2 | NAA | 178.8° | 180.0° |
| C6 | N1 | C2 | N3 | 3.7° | 0.2° |
| N1 | C6 | NAO | HAO | 115.2° | 180.0° |
| C5 | C4 | N3 | C2 | 0.4° | 0.5° |
| C5 | C4 | N3 | NAP | 179.0° | 180.0° |
| C5 | C4 | NAP | CAG | 0.3° | 0.0° |
| C4 | C5 | CAT | CAG | 1.1° | 0.0° |
| C4 | C5 | CAT | CAS | 176.2° | 180.0° |
| C5 | C4 | NAP | HAP | 179.7° | 179.9° |
| CAT | C5 | C4 | N3 | 179.7° | 180.0° |
| CAT | C5 | C4 | NAP | 0.5° | 0.0° |
| C5 | CAT | CAG | NAP | 1.2° | 0.0° |
| C5 | CAT | CAG | CAS | 176.1° | 180.0° |
| C5 | CAT | CAS | CAE | 145.2° | 130.0° |
| C5 | CAT | CAS | CAF | 44.3° | 49.5° |
| C5 | CAT | CAG | HAG | 178.8° | 179.9° |
| N1 | C2 | NAA | N3 | 177.5° | 179.8° |
| N1 | C2 | N3 | C4 | 1.7° | 0.5° |
| N1 | C2 | NAA | HAA1 | 0.0° | 0.0° |
| N1 | C2 | NAA | HAA2 | 120.1° | 179.9° |
| NAA | C2 | N3 | C4 | 179.2° | 179.8° |
| C2 | NAA | HAA1 | HAA2 | 120.0° | 179.9° |
| C2 | N3 | C4 | NAP | 179.4° | 179.6° |
| N3 | C2 | NAA | HAA1 | 177.5° | 179.8° |
| N3 | C2 | NAA | HAA2 | 57.4° | 0.3° |
| N3 | C4 | NAP | CAG | 178.8° | 180.0° |
| N3 | C4 | NAP | HAP | 1.1° | 0.1° |
| C4 | NAP | CAG | HAP | 180.0° | 179.9° |
| C4 | NAP | CAG | CAT | 0.9° | 0.0° |
| C4 | NAP | CAG | HAG | 179.1° | 180.0° |
| NAP | CAG | CAT | HAG | 180.0° | 179.9° |
| NAP | CAG | CAT | CAS | 177.3° | 180.0° |
| CAG | CAT | CAS | CAE | 40.1° | 50.0° |
| CAG | CAT | CAS | CAF | 130.4° | 130.5° |
| CAT | CAG | NAP | HAP | 179.1° | 179.9° |
| CAT | CAS | CAE | CAF | 171.8° | 179.5° |
| CAT | CAS | CAE | CAC | 177.9° | 180.0° |
| CAT | CAS | CAF | CAD | 176.6° | 180.0° |
| CAS | CAT | CAG | HAG | 2.8° | 0.1° |
| CAT | CAS | CAE | HAE | 2.1° | 0.3° |
| CAT | CAS | CAF | HAF | 3.4° | 0.1° |
| CAS | CAE | CAC | HAE | 180.0° | 179.7° |
| CAS | CAE | CAC | CAQ | 3.8° | 0.2° |
| CAE | CAS | CAF | CAD | 4.6° | 0.5° |
| CAE | CAS | CAF | HAF | 175.4° | 179.4° |
| CAS | CAE | CAC | HAC | 176.2° | 179.7° |
| CAF | CAS | CAE | CAC | 6.0° | 0.5° |
| CAS | CAF | CAD | CAQ | 0.8° | 0.3° |
| CAS | CAF | CAD | HAF | 180.0° | 179.9° |
| CAF | CAS | CAE | HAE | 174.0° | 179.8° |
| CAS | CAF | CAD | HAD | 179.1° | 180.0° |
| CAE | CAC | CAQ | HAC | 180.0° | 180.0° |
| CAE | CAC | CAQ | FAB | 178.7° | 180.0° |
| CAE | CAC | CAQ | CAD | 1.0° | 0.0° |
| CAC | CAQ | FAB | CAD | 177.7° | 180.0° |
| CAC | CAQ | CAD | CAF | 2.4° | 0.0° |
| CAQ | CAC | CAE | HAE | 176.2° | 180.0° |
| CAC | CAQ | CAD | HAD | 177.6° | 179.7° |
| FAB | CAQ | CAD | CAF | 180.0° | 180.0° |
| FAB | CAQ | CAC | HAC | 1.3° | 0.0° |
| FAB | CAQ | CAD | HAD | 0.0° | 0.3° |
| CAQ | CAD | CAF | HAD | 180.0° | 179.7° |
| CAQ | CAD | CAF | HAF | 179.2° | 179.7° |
| CAD | CAQ | CAC | HAC | 179.0° | 180.0° |
| HAK1 | CAK | CAI | HAI1 | 68.9° | 60.0° |
| HAK1 | CAK | CAI | HAI2 | 50.0° | 180.0° |
| HAK1 | CAK | CAX | HAX | 58.3° | 180.0° |
| HAK2 | CAK | CAI | HAI1 | 50.6° | 59.9° |
| HAK2 | CAK | CAI | HAI2 | 169.5° | 60.1° |
| HAK2 | CAK | CAX | HAX | 177.8° | 60.0° |
| HAI1 | CAI | CAH | HAH1 | 49.2° | 60.0° |
| HAI1 | CAI | CAH | HAH2 | 70.3° | 60.0° |
| HAI2 | CAI | CAH | HAH1 | 168.2° | 60.1° |
| HAI2 | CAI | CAH | HAH2 | 48.7° | 179.9° |
| HAX | CAX | CAL | HAL1 | 175.3° | 180.0° |
| HAX | CAX | CAL | HAL2 | 64.6° | 60.1° |
| HAX | CAX | NAO | HAO | 74.0° | 145.0° |
| HAH1 | CAH | CAJ | HAJ1 | 55.0° | 60.0° |
| HAH1 | CAH | CAJ | HAJ2 | 174.8° | 59.9° |
| HAH2 | CAH | CAJ | HAJ1 | 64.5° | 60.1° |
| HAH2 | CAH | CAJ | HAJ2 | 55.4° | 180.0° |
| HAJ1 | CAJ | CAL | HAL1 | 63.0° | 60.0° |
| HAJ1 | CAJ | CAL | HAL2 | 57.2° | 60.0° |
| HAJ2 | CAJ | CAL | HAL1 | 177.2° | 179.9° |
| HAJ2 | CAJ | CAL | HAL2 | 62.7° | 60.0° |
| HAG | CAG | NAP | HAP | 0.9° | 0.0° |
| HAE | CAE | CAC | HAC | 3.8° | 0.0° |
| HAF | CAF | CAD | HAD | 0.8° | 0.0° |
