UQY
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C | N | sing | 1.47Å | 1.46Å | |
| N | C1 | sing | 1.47Å | 1.52Å | |
| C1 | C2 | sing | 1.55Å | 1.54Å | |
| C2 | C3 | sing | 1.55Å | 1.55Å | |
| C3 | C4 | sing | 1.54Å | 1.53Å | |
| C4 | C5 | sing | 1.54Å | 1.53Å | |
| C5 | C1 | sing | 1.54Å | 1.53Å | |
| C1 | C6 | sing | 1.51Å | 1.55Å | |
| C6 | O | doub | 1.21Å | 1.22Å | |
| N1 | C6 | sing | 1.35Å | 1.38Å | |
| N1 | H12 | sing | 0.97Å | 1.00Å | |
| N1 | H13 | sing | 0.97Å | 1.00Å | |
| C4 | H8 | sing | 1.09Å | 1.10Å | |
| C4 | H9 | sing | 1.09Å | 1.10Å | |
| C5 | H11 | sing | 1.09Å | 1.10Å | |
| C5 | H10 | sing | 1.09Å | 1.10Å | |
| N | H3 | sing | 1.01Å | 1.00Å | |
| C | H1 | sing | 1.09Å | 1.10Å | |
| C | H2 | sing | 1.09Å | 1.10Å | |
| C | H | sing | 1.09Å | 1.10Å | |
| C2 | H4 | sing | 1.09Å | 1.10Å | |
| C2 | H5 | sing | 1.09Å | 1.10Å | |
| C3 | H6 | sing | 1.09Å | 1.10Å | |
| C3 | H7 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C | N | C1 | 124.7° | 111.0° |
| C | N | H3 | 105.6° | 110.9° |
| N | C | H1 | 109.5° | 109.5° |
| N | C | H2 | 109.4° | 109.4° |
| N | C | H | 109.5° | 109.5° |
| N | C1 | C2 | 109.6° | 110.5° |
| N | C1 | C5 | 118.3° | 110.5° |
| N | C1 | C6 | 107.7° | 110.4° |
| C1 | N | H3 | 105.5° | 111.0° |
| C1 | C2 | C3 | 106.8° | 102.7° |
| C2 | C1 | C5 | 102.7° | 104.2° |
| C2 | C1 | C6 | 111.5° | 110.6° |
| C1 | C2 | H4 | 110.1° | 110.7° |
| C1 | C2 | H5 | 110.1° | 110.8° |
| C2 | C3 | C4 | 103.2° | 104.2° |
| C3 | C2 | H4 | 110.1° | 110.8° |
| C3 | C2 | H5 | 110.1° | 110.8° |
| C2 | C3 | H6 | 111.0° | 110.5° |
| C2 | C3 | H7 | 111.0° | 110.5° |
| C3 | C4 | C5 | 100.3° | 106.6° |
| C3 | C4 | H8 | 111.7° | 110.0° |
| C3 | C4 | H9 | 111.7° | 110.1° |
| C4 | C3 | H6 | 111.0° | 110.5° |
| C4 | C3 | H7 | 111.0° | 110.5° |
| C4 | C5 | C1 | 102.9° | 106.6° |
| C5 | C4 | H8 | 111.7° | 110.0° |
| C5 | C4 | H9 | 111.7° | 110.0° |
| C4 | C5 | H11 | 111.1° | 110.0° |
| C4 | C5 | H10 | 111.1° | 110.0° |
| C5 | C1 | C6 | 107.1° | 110.5° |
| C1 | C5 | H11 | 111.1° | 110.1° |
| C1 | C5 | H10 | 111.1° | 110.0° |
| C1 | C6 | O | 123.6° | 120.0° |
| C1 | C6 | N1 | 117.9° | 120.0° |
| O | C6 | N1 | 118.5° | 120.0° |
| C6 | N1 | H12 | 120.0° | 120.0° |
| C6 | N1 | H13 | 120.0° | 120.0° |
| H12 | N1 | H13 | 120.0° | 120.0° |
| H8 | C4 | H9 | 109.5° | 110.0° |
| H11 | C5 | H10 | 109.4° | 110.1° |
| H1 | C | H2 | 109.5° | 109.5° |
| H1 | C | H | 109.5° | 109.5° |
| H2 | C | H | 109.5° | 109.4° |
| H4 | C2 | H5 | 109.5° | 110.8° |
| H6 | C3 | H7 | 109.5° | 110.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C | N | C1 | H3 | 122.1° | 123.9° |
| C | N | C1 | C2 | 143.6° | 177.3° |
| C | N | C1 | C5 | 26.4° | 62.6° |
| C | N | C1 | C6 | 95.0° | 60.0° |
| N | C | H1 | H2 | 120.0° | 119.9° |
| N | C | H1 | H | 120.0° | 120.1° |
| N | C | H2 | H | 120.0° | 120.0° |
| N | C1 | C2 | C5 | 126.6° | 118.7° |
| N | C1 | C2 | C6 | 119.1° | 122.6° |
| N | C1 | C2 | C3 | 138.0° | 156.6° |
| N | C1 | C5 | C4 | 158.2° | 142.3° |
| N | C1 | C5 | C6 | 121.7° | 122.5° |
| N | C1 | C6 | O | 116.8° | 146.0° |
| N | C1 | C6 | N1 | 63.1° | 34.0° |
| N | C1 | C5 | H11 | 39.2° | 23.0° |
| N | C1 | C5 | H10 | 82.9° | 98.5° |
| C1 | N | C | H1 | 180.0° | 64.8° |
| C1 | N | C | H2 | 60.0° | 55.2° |
| C1 | N | C | H | 60.0° | 175.2° |
| N | C1 | C2 | H4 | 18.4° | 38.3° |
| N | C1 | C2 | H5 | 102.4° | 85.0° |
| C1 | C2 | C3 | H4 | 119.6° | 118.3° |
| C1 | C2 | C3 | H5 | 119.6° | 118.3° |
| C1 | C2 | C3 | C4 | 18.6° | 37.9° |
| C2 | C1 | C5 | C4 | 37.4° | 23.6° |
| C2 | C1 | C5 | C6 | 117.5° | 118.8° |
| C2 | C1 | C6 | O | 123.0° | 91.5° |
| C2 | C1 | C6 | N1 | 57.1° | 88.6° |
| C2 | C1 | C5 | H11 | 81.5° | 95.6° |
| C2 | C1 | C5 | H10 | 156.4° | 142.9° |
| C2 | C1 | N | H3 | 21.6° | 53.4° |
| C1 | C2 | H4 | H5 | 121.2° | 123.3° |
| C1 | C2 | C3 | H6 | 100.4° | 80.7° |
| C1 | C2 | C3 | H7 | 137.7° | 156.6° |
| C2 | C3 | C4 | H6 | 119.0° | 118.7° |
| C2 | C3 | C4 | H7 | 119.0° | 118.7° |
| C2 | C3 | C4 | C5 | 41.1° | 23.6° |
| C3 | C2 | C1 | C5 | 11.4° | 38.0° |
| C3 | C2 | C1 | C6 | 102.9° | 80.8° |
| C2 | C3 | C4 | H8 | 159.7° | 142.9° |
| C2 | C3 | C4 | H9 | 77.3° | 95.7° |
| C3 | C2 | H4 | H5 | 121.3° | 123.4° |
| C2 | C3 | H6 | H7 | 122.9° | 122.6° |
| C3 | C4 | C5 | H8 | 118.5° | 119.3° |
| C3 | C4 | C5 | H9 | 118.5° | 119.4° |
| C3 | C4 | C5 | C1 | 49.4° | 0.0° |
| C3 | C4 | H8 | H9 | 124.3° | 121.5° |
| C3 | C4 | C5 | H11 | 69.6° | 119.3° |
| C3 | C4 | C5 | H10 | 168.4° | 119.2° |
| C4 | C3 | C2 | H4 | 138.2° | 80.4° |
| C4 | C3 | C2 | H5 | 100.9° | 156.3° |
| C4 | C3 | H6 | H7 | 122.9° | 122.6° |
| C4 | C5 | C1 | H11 | 118.9° | 119.2° |
| C4 | C5 | C1 | H10 | 119.0° | 119.3° |
| C4 | C5 | C1 | C6 | 80.1° | 95.2° |
| C5 | C4 | H8 | H9 | 124.3° | 121.4° |
| C4 | C5 | H11 | H10 | 123.0° | 121.4° |
| C5 | C4 | C3 | H6 | 77.8° | 95.1° |
| C5 | C4 | C3 | H7 | 160.1° | 142.3° |
| C5 | C1 | C6 | O | 11.4° | 23.4° |
| C5 | C1 | C6 | N1 | 168.7° | 156.5° |
| C1 | C5 | C4 | H8 | 167.9° | 119.3° |
| C1 | C5 | C4 | H9 | 69.1° | 119.4° |
| C1 | C5 | H11 | H10 | 123.1° | 121.4° |
| C5 | C1 | N | H3 | 95.6° | 61.3° |
| C5 | C1 | C2 | H4 | 108.1° | 80.4° |
| C5 | C1 | C2 | H5 | 131.0° | 156.3° |
| C1 | C6 | O | N1 | 179.9° | 179.9° |
| C1 | C6 | N1 | H12 | 179.9° | 175.2° |
| C1 | C6 | N1 | H13 | 0.1° | 5.2° |
| C6 | C1 | C5 | H11 | 161.0° | 145.5° |
| C6 | C1 | C5 | H10 | 38.9° | 24.1° |
| C6 | C1 | N | H3 | 142.9° | 176.1° |
| C6 | C1 | C2 | H4 | 137.5° | 160.9° |
| C6 | C1 | C2 | H5 | 16.6° | 37.5° |
| O | C6 | N1 | H12 | 0.0° | 4.7° |
| O | C6 | N1 | H13 | 180.0° | 174.9° |
| C6 | N1 | H12 | H13 | 180.0° | 179.6° |
| H8 | C4 | C5 | H11 | 48.9° | 121.4° |
| H8 | C4 | C5 | H10 | 73.2° | 0.0° |
| H8 | C4 | C3 | H6 | 40.7° | 24.2° |
| H8 | C4 | C3 | H7 | 81.3° | 98.5° |
| H9 | C4 | C5 | H11 | 172.0° | 0.1° |
| H9 | C4 | C5 | H10 | 49.9° | 121.4° |
| H9 | C4 | C3 | H6 | 163.7° | 145.6° |
| H9 | C4 | C3 | H7 | 41.7° | 22.9° |
| H3 | N | C | H1 | 58.0° | 59.2° |
| H3 | N | C | H2 | 62.0° | 179.2° |
| H3 | N | C | H | 178.0° | 60.9° |
| H1 | C | H2 | H | 120.0° | 120.0° |
| H4 | C2 | C3 | H6 | 19.2° | 161.0° |
| H4 | C2 | C3 | H7 | 102.8° | 38.3° |
| H5 | C2 | C3 | H6 | 140.1° | 37.6° |
| H5 | C2 | C3 | H7 | 18.1° | 85.1° |
