2UE
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C3 | sing | 1.51Å | 1.50Å | |
| C1 | C2 | sing | 1.51Å | 1.49Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H1A | sing | 1.09Å | 1.10Å | |
| C9 | N1 | sing | 1.47Å | 1.47Å | |
| N1 | C10 | sing | 1.37Å | 1.33Å | |
| N1 | HN1 | sing | 0.97Å | 1.00Å | |
| O1 | C2 | doub | 1.21Å | 1.23Å | |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C10 | N2 | sing | 1.38Å | 1.34Å | |
| N2 | HN2 | sing | 0.97Å | 1.00Å | |
| N2 | HN2A | sing | 0.97Å | 1.00Å | |
| C4 | C3 | doub | 1.38Å | 1.41Å | Aromatic |
| C3 | C5 | sing | 1.38Å | 1.41Å | Aromatic |
| C10 | N3 | doub | 1.30Å | 1.33Å | |
| N3 | HN3 | sing | 0.97Å | 1.00Å | |
| C4 | C6 | sing | 1.38Å | 1.41Å | Aromatic |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C5 | C8 | doub | 1.38Å | 1.41Å | Aromatic |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C6 | C7 | doub | 1.38Å | 1.42Å | Aromatic |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C8 | C7 | sing | 1.38Å | 1.40Å | Aromatic |
| C7 | C9 | sing | 1.51Å | 1.51Å | |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| C9 | H9 | sing | 1.09Å | 1.10Å | |
| C9 | H9A | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C3 | C1 | C2 | 113.0° | 109.4° |
| C3 | C1 | H1 | 108.6° | 109.5° |
| C3 | C1 | H1A | 108.6° | 109.5° |
| C1 | C3 | C4 | 119.8° | 120.0° |
| C1 | C3 | C5 | 120.8° | 120.0° |
| C2 | C1 | H1 | 108.6° | 109.5° |
| C2 | C1 | H1A | 108.6° | 109.5° |
| C1 | C2 | O1 | 122.4° | 120.0° |
| C1 | C2 | H2 | 118.8° | 120.0° |
| H1 | C1 | H1A | 109.5° | 109.5° |
| C9 | N1 | C10 | 125.9° | 119.9° |
| C9 | N1 | HN1 | 117.1° | 120.0° |
| N1 | C9 | C7 | 114.1° | 109.4° |
| N1 | C9 | H9 | 108.3° | 109.5° |
| N1 | C9 | H9A | 108.3° | 109.5° |
| C10 | N1 | HN1 | 117.0° | 120.0° |
| N1 | C10 | N2 | 121.2° | 120.0° |
| N1 | C10 | N3 | 118.9° | 120.1° |
| O1 | C2 | H2 | 118.8° | 120.0° |
| C10 | N2 | HN2 | 120.0° | 120.0° |
| C10 | N2 | HN2A | 120.0° | 120.0° |
| N2 | C10 | N3 | 120.0° | 120.0° |
| HN2 | N2 | HN2A | 120.0° | 120.0° |
| C4 | C3 | C5 | 119.0° | 119.9° |
| C3 | C4 | C6 | 120.4° | 120.0° |
| C3 | C4 | H4 | 119.8° | 119.9° |
| C3 | C5 | C8 | 120.9° | 120.0° |
| C3 | C5 | H5 | 119.6° | 120.0° |
| C10 | N3 | HN3 | 112.0° | 120.1° |
| C6 | C4 | H4 | 119.8° | 120.0° |
| C4 | C6 | C7 | 120.5° | 120.0° |
| C4 | C6 | H6 | 119.7° | 119.9° |
| C8 | C5 | H5 | 119.6° | 120.0° |
| C5 | C8 | C7 | 120.6° | 120.0° |
| C5 | C8 | H8 | 119.7° | 120.0° |
| C7 | C6 | H6 | 119.8° | 120.0° |
| C6 | C7 | C8 | 118.6° | 120.0° |
| C6 | C7 | C9 | 120.9° | 120.0° |
| C8 | C7 | C9 | 120.5° | 120.0° |
| C7 | C8 | H8 | 119.7° | 120.0° |
| C7 | C9 | H9 | 108.3° | 109.5° |
| C7 | C9 | H9A | 108.3° | 109.4° |
| H9 | C9 | H9A | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C3 | C1 | C2 | H1 | 120.5° | 120.0° |
| C3 | C1 | C2 | H1A | 120.5° | 120.0° |
| C3 | C1 | H1 | H1A | 118.4° | 120.0° |
| C3 | C1 | C2 | O1 | 92.5° | 125.0° |
| C3 | C1 | C2 | H2 | 87.5° | 55.0° |
| C1 | C3 | C4 | C5 | 173.3° | 179.8° |
| C1 | C3 | C4 | C6 | 172.4° | 180.0° |
| C1 | C3 | C4 | H4 | 7.5° | 0.0° |
| C1 | C3 | C5 | C8 | 172.4° | 180.0° |
| C1 | C3 | C5 | H5 | 7.6° | 0.1° |
| C2 | C1 | H1 | H1A | 118.4° | 120.0° |
| C1 | C2 | O1 | H2 | 180.0° | 180.0° |
| C2 | C1 | C3 | C4 | 79.4° | 89.7° |
| C2 | C1 | C3 | C5 | 93.8° | 90.0° |
| H1 | C1 | C2 | O1 | 147.0° | 115.0° |
| H1 | C1 | C2 | H2 | 33.0° | 65.0° |
| H1 | C1 | C3 | C4 | 160.1° | 150.3° |
| H1 | C1 | C3 | C5 | 26.7° | 30.0° |
| H1A | C1 | C2 | O1 | 28.0° | 5.0° |
| H1A | C1 | C2 | H2 | 152.0° | 175.0° |
| H1A | C1 | C3 | C4 | 41.2° | 30.2° |
| H1A | C1 | C3 | C5 | 145.6° | 150.0° |
| C9 | N1 | C10 | HN1 | 180.0° | 179.9° |
| C9 | N1 | C10 | N2 | 0.7° | 180.0° |
| C9 | N1 | C10 | N3 | 179.9° | 0.1° |
| N1 | C9 | C7 | C6 | 37.3° | 90.0° |
| N1 | C9 | C7 | C8 | 140.9° | 89.8° |
| N1 | C9 | C7 | H9 | 120.7° | 120.0° |
| N1 | C9 | C7 | H9A | 120.7° | 120.0° |
| N1 | C9 | H9 | H9A | 117.9° | 120.1° |
| N1 | C10 | N2 | N3 | 179.2° | 179.9° |
| N1 | C10 | N2 | HN2 | 179.2° | 0.1° |
| N1 | C10 | N2 | HN2A | 0.8° | 180.0° |
| N1 | C10 | N3 | HN3 | 179.2° | 180.0° |
| C10 | N1 | C9 | C7 | 75.1° | 180.0° |
| C10 | N1 | C9 | H9 | 45.6° | 60.1° |
| C10 | N1 | C9 | H9A | 164.2° | 60.0° |
| HN1 | N1 | C10 | N2 | 179.3° | 0.1° |
| HN1 | N1 | C10 | N3 | 0.1° | 180.0° |
| HN1 | N1 | C9 | C7 | 104.9° | 0.0° |
| HN1 | N1 | C9 | H9 | 134.5° | 120.0° |
| HN1 | N1 | C9 | H9A | 15.8° | 119.9° |
| C10 | N2 | HN2 | HN2A | 180.0° | 180.0° |
| N2 | C10 | N3 | HN3 | 0.0° | 0.1° |
| HN2 | N2 | C10 | N3 | 0.0° | 180.0° |
| HN2A | N2 | C10 | N3 | 180.0° | 0.1° |
| C3 | C4 | C6 | H4 | 180.0° | 180.0° |
| C4 | C3 | C5 | C8 | 0.8° | 0.3° |
| C4 | C3 | C5 | H5 | 179.1° | 179.7° |
| C3 | C4 | C6 | C7 | 0.0° | 0.0° |
| C3 | C4 | C6 | H6 | 180.0° | 179.9° |
| C5 | C3 | C4 | C6 | 0.9° | 0.3° |
| C5 | C3 | C4 | H4 | 179.1° | 179.8° |
| C3 | C5 | C8 | H5 | 180.0° | 180.0° |
| C3 | C5 | C8 | C7 | 0.1° | 0.0° |
| C3 | C5 | C8 | H8 | 179.8° | 180.0° |
| C4 | C6 | C7 | H6 | 180.0° | 180.0° |
| C4 | C6 | C7 | C8 | 1.0° | 0.2° |
| C4 | C6 | C7 | C9 | 177.2° | 180.0° |
| H4 | C4 | C6 | C7 | 179.9° | 180.0° |
| H4 | C4 | C6 | H6 | 0.1° | 0.0° |
| C5 | C8 | C7 | C6 | 1.1° | 0.2° |
| C5 | C8 | C7 | H8 | 180.0° | 180.0° |
| C5 | C8 | C7 | C9 | 177.1° | 180.0° |
| H5 | C5 | C8 | C7 | 179.9° | 179.9° |
| H5 | C5 | C8 | H8 | 0.1° | 0.0° |
| C6 | C7 | C8 | C9 | 178.2° | 179.8° |
| C6 | C7 | C8 | H8 | 178.9° | 179.8° |
| C6 | C7 | C9 | H9 | 158.0° | 30.0° |
| C6 | C7 | C9 | H9A | 83.4° | 150.0° |
| H6 | C6 | C7 | C8 | 179.0° | 179.8° |
| H6 | C6 | C7 | C9 | 2.8° | 0.0° |
| C8 | C7 | C9 | H9 | 20.2° | 150.2° |
| C8 | C7 | C9 | H9A | 98.4° | 30.2° |
| C9 | C7 | C8 | H8 | 2.9° | 0.0° |
| C7 | C9 | H9 | H9A | 117.9° | 120.0° |
