U1G
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C | sing | 1.51Å | 1.52Å | |
| C1 | O | doub | 1.21Å | 1.23Å | |
| N | C1 | sing | 1.35Å | 1.35Å | |
| C2 | N | sing | 1.47Å | 1.47Å | |
| C3 | C2 | sing | 1.53Å | 1.51Å | |
| N1 | C3 | sing | 1.47Å | 1.46Å | |
| N1 | C4 | sing | 1.47Å | 1.46Å | |
| C4 | C5 | sing | 1.53Å | 1.52Å | |
| C5 | N | sing | 1.47Å | 1.47Å | |
| C6 | N1 | sing | 1.35Å | 1.36Å | |
| O1 | C6 | doub | 1.22Å | 1.23Å | |
| C6 | C7 | sing | 1.47Å | 1.44Å | |
| C7 | C8 | doub | 1.37Å | 1.35Å | Aromatic |
| C9 | C8 | sing | 1.40Å | 1.41Å | Aromatic |
| C10 | C9 | doub | 1.35Å | 1.38Å | Aromatic |
| O2 | C10 | sing | 1.34Å | 1.36Å | Aromatic |
| C7 | O2 | sing | 1.35Å | 1.37Å | Aromatic |
| C4 | H7 | sing | 1.09Å | 1.10Å | |
| C4 | H8 | sing | 1.09Å | 1.10Å | |
| C5 | H9 | sing | 1.09Å | 1.10Å | |
| C5 | H10 | sing | 1.09Å | 1.10Å | |
| C8 | H11 | sing | 1.08Å | 1.08Å | |
| C10 | H13 | sing | 1.08Å | 1.08Å | |
| C | H | sing | 1.09Å | 1.10Å | |
| C | H2 | sing | 1.09Å | 1.10Å | |
| C | H1 | sing | 1.09Å | 1.10Å | |
| C2 | H3 | sing | 1.09Å | 1.10Å | |
| C2 | H4 | sing | 1.09Å | 1.10Å | |
| C3 | H5 | sing | 1.09Å | 1.10Å | |
| C3 | H6 | sing | 1.09Å | 1.10Å | |
| C9 | H12 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C | C1 | O | 119.7° | 120.0° |
| C | C1 | N | 119.8° | 120.0° |
| C1 | C | H | 109.5° | 109.5° |
| C1 | C | H2 | 109.5° | 109.5° |
| C1 | C | H1 | 109.5° | 109.5° |
| O | C1 | N | 120.4° | 120.1° |
| C1 | N | C2 | 119.9° | 120.5° |
| C1 | N | C5 | 125.9° | 120.7° |
| N | C2 | C3 | 111.6° | 108.6° |
| C2 | N | C5 | 114.0° | 118.8° |
| N | C2 | H3 | 108.9° | 109.6° |
| N | C2 | H4 | 109.0° | 109.7° |
| C2 | C3 | N1 | 109.3° | 108.6° |
| C3 | C2 | H3 | 108.9° | 109.6° |
| C3 | C2 | H4 | 108.9° | 109.8° |
| C2 | C3 | H5 | 109.5° | 109.6° |
| C2 | C3 | H6 | 109.5° | 109.6° |
| C3 | N1 | C4 | 110.5° | 118.8° |
| C3 | N1 | C6 | 120.5° | 120.6° |
| N1 | C3 | H5 | 109.5° | 109.6° |
| N1 | C3 | H6 | 109.5° | 109.6° |
| N1 | C4 | C5 | 110.6° | 108.6° |
| C4 | N1 | C6 | 122.4° | 120.6° |
| N1 | C4 | H7 | 109.2° | 109.6° |
| N1 | C4 | H8 | 109.2° | 109.6° |
| C4 | C5 | N | 112.7° | 108.6° |
| C5 | C4 | H7 | 109.2° | 109.6° |
| C5 | C4 | H8 | 109.2° | 109.7° |
| C4 | C5 | H9 | 108.7° | 109.7° |
| C4 | C5 | H10 | 108.6° | 109.6° |
| N | C5 | H9 | 108.6° | 109.6° |
| N | C5 | H10 | 108.7° | 109.6° |
| N1 | C6 | O1 | 121.4° | 120.0° |
| N1 | C6 | C7 | 119.7° | 120.0° |
| O1 | C6 | C7 | 118.9° | 120.0° |
| C6 | C7 | C8 | 131.8° | 126.0° |
| C6 | C7 | O2 | 118.2° | 126.0° |
| C7 | C8 | C9 | 107.1° | 106.7° |
| C8 | C7 | O2 | 110.1° | 108.0° |
| C7 | C8 | H11 | 126.5° | 126.6° |
| C8 | C9 | C10 | 106.2° | 107.1° |
| C9 | C8 | H11 | 126.4° | 126.7° |
| C8 | C9 | H12 | 126.9° | 126.4° |
| C9 | C10 | O2 | 109.7° | 108.7° |
| C9 | C10 | H13 | 125.2° | 125.6° |
| C10 | C9 | H12 | 126.9° | 126.4° |
| C10 | O2 | C7 | 107.0° | 109.4° |
| O2 | C10 | H13 | 125.1° | 125.6° |
| H7 | C4 | H8 | 109.5° | 109.7° |
| H9 | C5 | H10 | 109.5° | 109.7° |
| H | C | H2 | 109.5° | 109.5° |
| H | C | H1 | 109.5° | 109.5° |
| H2 | C | H1 | 109.4° | 109.5° |
| H3 | C2 | H4 | 109.4° | 109.6° |
| H5 | C3 | H6 | 109.4° | 109.7° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C | C1 | O | N | 178.9° | 180.0° |
| C | C1 | N | C2 | 177.4° | 175.3° |
| C | C1 | N | C5 | 7.9° | 4.7° |
| C1 | C | H | H2 | 120.0° | 120.0° |
| C1 | C | H | H1 | 120.0° | 120.0° |
| C1 | C | H2 | H1 | 120.0° | 120.0° |
| O | C1 | N | C2 | 3.6° | 4.7° |
| O | C1 | N | C5 | 171.0° | 175.3° |
| O | C1 | C | H | 0.0° | 95.5° |
| O | C1 | C | H2 | 120.0° | 24.5° |
| O | C1 | C | H1 | 120.0° | 144.5° |
| C1 | N | C2 | C5 | 175.2° | 180.0° |
| C1 | N | C2 | C3 | 135.1° | 124.8° |
| C1 | N | C5 | C4 | 138.3° | 124.8° |
| C1 | N | C5 | H9 | 101.2° | 115.5° |
| C1 | N | C5 | H10 | 17.8° | 5.0° |
| N | C1 | C | H | 178.9° | 84.5° |
| N | C1 | C | H2 | 58.9° | 155.5° |
| N | C1 | C | H1 | 61.1° | 35.5° |
| C1 | N | C2 | H3 | 104.5° | 115.5° |
| C1 | N | C2 | H4 | 14.8° | 4.9° |
| N | C2 | C3 | H3 | 120.3° | 119.7° |
| N | C2 | C3 | H4 | 120.4° | 119.9° |
| N | C2 | C3 | N1 | 56.6° | 49.4° |
| C2 | N | C5 | C4 | 46.8° | 55.2° |
| C2 | N | C5 | H9 | 73.7° | 64.5° |
| C2 | N | C5 | H10 | 167.3° | 175.0° |
| N | C2 | H3 | H4 | 119.0° | 120.4° |
| N | C2 | C3 | H5 | 176.6° | 70.4° |
| N | C2 | C3 | H6 | 63.4° | 169.2° |
| C2 | C3 | N1 | H5 | 120.0° | 119.7° |
| C2 | C3 | N1 | H6 | 120.0° | 119.8° |
| C2 | C3 | N1 | C4 | 62.1° | 55.2° |
| C3 | C2 | N | C5 | 49.6° | 55.2° |
| C2 | C3 | N1 | C6 | 90.1° | 124.5° |
| C3 | C2 | H3 | H4 | 119.0° | 120.5° |
| C2 | C3 | H5 | H6 | 120.0° | 120.4° |
| C3 | N1 | C4 | C6 | 151.5° | 179.7° |
| C3 | N1 | C4 | C5 | 59.3° | 55.2° |
| C3 | N1 | C6 | O1 | 24.5° | 174.5° |
| C3 | N1 | C6 | C7 | 152.7° | 5.5° |
| C3 | N1 | C4 | H7 | 179.5° | 175.0° |
| C3 | N1 | C4 | H8 | 60.9° | 64.5° |
| N1 | C3 | C2 | H3 | 63.8° | 70.3° |
| N1 | C3 | C2 | H4 | 176.9° | 169.3° |
| N1 | C3 | H5 | H6 | 120.1° | 120.5° |
| N1 | C4 | C5 | H7 | 120.2° | 119.7° |
| N1 | C4 | C5 | H8 | 120.2° | 119.8° |
| N1 | C4 | C5 | N | 50.9° | 49.5° |
| C4 | N1 | C6 | O1 | 124.3° | 5.8° |
| C4 | N1 | C6 | C7 | 58.5° | 174.2° |
| N1 | C4 | H7 | H8 | 119.5° | 120.4° |
| N1 | C4 | C5 | H9 | 69.6° | 70.3° |
| N1 | C4 | C5 | H10 | 171.4° | 169.2° |
| C4 | N1 | C3 | H5 | 177.9° | 64.5° |
| C4 | N1 | C3 | H6 | 57.9° | 175.0° |
| C4 | C5 | N | H9 | 120.5° | 119.8° |
| C4 | C5 | N | H10 | 120.5° | 119.8° |
| C5 | C4 | N1 | C6 | 92.2° | 124.5° |
| C5 | C4 | H7 | H8 | 119.5° | 120.5° |
| C4 | C5 | H9 | H10 | 118.5° | 120.5° |
| N | C5 | C4 | H7 | 171.1° | 169.2° |
| N | C5 | C4 | H8 | 69.3° | 70.3° |
| N | C5 | H9 | H10 | 118.5° | 120.4° |
| C5 | N | C2 | H3 | 70.7° | 64.5° |
| C5 | N | C2 | H4 | 170.0° | 175.1° |
| N1 | C6 | O1 | C7 | 177.2° | 180.0° |
| N1 | C6 | C7 | C8 | 91.9° | 174.3° |
| N1 | C6 | C7 | O2 | 88.5° | 5.3° |
| C6 | N1 | C4 | H7 | 27.9° | 4.8° |
| C6 | N1 | C4 | H8 | 147.6° | 115.7° |
| C6 | N1 | C3 | H5 | 29.9° | 115.8° |
| C6 | N1 | C3 | H6 | 149.9° | 4.8° |
| O1 | C6 | C7 | C8 | 85.3° | 5.7° |
| O1 | C6 | C7 | O2 | 94.2° | 174.7° |
| C6 | C7 | C8 | O2 | 179.6° | 179.7° |
| C6 | C7 | C8 | C9 | 179.9° | 180.0° |
| C6 | C7 | O2 | C10 | 179.9° | 179.9° |
| C6 | C7 | C8 | H11 | 0.1° | 0.0° |
| C7 | C8 | C9 | H11 | 180.0° | 180.0° |
| C7 | C8 | C9 | C10 | 0.1° | 0.0° |
| C8 | C7 | O2 | C10 | 0.4° | 0.5° |
| C7 | C8 | C9 | H12 | 179.9° | 179.8° |
| C8 | C9 | C10 | H12 | 180.0° | 179.8° |
| C8 | C9 | C10 | O2 | 0.2° | 0.3° |
| C9 | C8 | C7 | O2 | 0.3° | 0.3° |
| C8 | C9 | C10 | H13 | 179.8° | 180.0° |
| C9 | C10 | O2 | H13 | 180.0° | 179.8° |
| C9 | C10 | O2 | C7 | 0.4° | 0.4° |
| C10 | C9 | C8 | H11 | 179.9° | 180.0° |
| O2 | C10 | C9 | H12 | 179.8° | 180.0° |
| O2 | C7 | C8 | H11 | 179.6° | 179.7° |
| C7 | O2 | C10 | H13 | 179.6° | 179.8° |
| H7 | C4 | C5 | H9 | 50.6° | 49.5° |
| H7 | C4 | C5 | H10 | 68.4° | 71.1° |
| H8 | C4 | C5 | H9 | 170.3° | 170.0° |
| H8 | C4 | C5 | H10 | 51.2° | 49.4° |
| H11 | C8 | C9 | H12 | 0.1° | 0.3° |
| H13 | C10 | C9 | H12 | 0.2° | 0.2° |
| H | C | H2 | H1 | 120.0° | 120.0° |
| H3 | C2 | C3 | H5 | 56.2° | 169.9° |
| H3 | C2 | C3 | H6 | 176.2° | 49.4° |
| H4 | C2 | C3 | H5 | 63.1° | 49.5° |
| H4 | C2 | C3 | H6 | 56.9° | 71.0° |
