UG6
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O7 | C5 | doub | 1.21Å | 1.23Å | |
| C6 | C5 | sing | 1.51Å | 1.50Å | |
| C5 | N4 | sing | 1.35Å | 1.34Å | |
| C11 | O10 | sing | 1.45Å | 1.45Å | |
| O10 | C8 | sing | 1.34Å | 1.33Å | |
| N4 | C2 | sing | 1.47Å | 1.45Å | |
| C8 | O9 | doub | 1.21Å | 1.20Å | |
| C8 | C2 | sing | 1.51Å | 1.52Å | |
| C2 | C1 | sing | 1.53Å | 1.52Å | |
| C1 | S3 | sing | 1.81Å | 1.81Å | |
| C6 | H1 | sing | 1.09Å | 1.10Å | |
| C6 | H2 | sing | 1.09Å | 1.10Å | |
| C6 | H3 | sing | 1.09Å | 1.10Å | |
| C1 | H4 | sing | 1.09Å | 1.10Å | |
| C1 | H5 | sing | 1.09Å | 1.10Å | |
| C11 | H6 | sing | 1.09Å | 1.10Å | |
| C11 | H7 | sing | 1.09Å | 1.10Å | |
| C11 | H8 | sing | 1.09Å | 1.10Å | |
| C2 | H9 | sing | 1.09Å | 1.10Å | |
| N4 | H10 | sing | 0.97Å | 1.00Å | |
| S3 | H11 | sing | 1.34Å | 1.30Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O7 | C5 | C6 | 122.0° | 120.0° |
| O7 | C5 | N4 | 122.0° | 120.0° |
| C6 | C5 | N4 | 116.0° | 120.0° |
| C5 | C6 | H1 | 109.5° | 109.5° |
| C5 | C6 | H2 | 109.5° | 109.5° |
| C5 | C6 | H3 | 109.5° | 109.5° |
| C5 | N4 | C2 | 121.8° | 120.0° |
| C5 | N4 | H10 | 119.1° | 120.0° |
| C11 | O10 | C8 | 115.9° | 117.0° |
| O10 | C11 | H6 | 109.5° | 109.5° |
| O10 | C11 | H7 | 109.5° | 109.4° |
| O10 | C11 | H8 | 109.5° | 109.5° |
| O10 | C8 | O9 | 124.1° | 119.9° |
| O10 | C8 | C2 | 111.3° | 120.0° |
| N4 | C2 | C8 | 110.6° | 109.5° |
| N4 | C2 | C1 | 111.1° | 109.5° |
| N4 | C2 | H9 | 109.1° | 109.5° |
| C2 | N4 | H10 | 119.1° | 120.0° |
| O9 | C8 | C2 | 124.6° | 120.0° |
| C8 | C2 | C1 | 109.6° | 109.5° |
| C8 | C2 | H9 | 108.2° | 109.5° |
| C2 | C1 | S3 | 114.0° | 109.5° |
| C2 | C1 | H4 | 108.4° | 109.5° |
| C2 | C1 | H5 | 108.3° | 109.5° |
| C1 | C2 | H9 | 108.1° | 109.5° |
| S3 | C1 | H4 | 108.3° | 109.5° |
| S3 | C1 | H5 | 108.3° | 109.5° |
| C1 | S3 | H11 | 102.0° | 103.0° |
| H1 | C6 | H2 | 109.5° | 109.4° |
| H1 | C6 | H3 | 109.4° | 109.5° |
| H2 | C6 | H3 | 109.5° | 109.5° |
| H4 | C1 | H5 | 109.5° | 109.5° |
| H6 | C11 | H7 | 109.5° | 109.5° |
| H6 | C11 | H8 | 109.5° | 109.5° |
| H7 | C11 | H8 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O7 | C5 | C6 | N4 | 179.9° | 179.7° |
| O7 | C5 | N4 | C2 | 2.2° | 0.3° |
| O7 | C5 | C6 | H1 | 0.0° | 90.3° |
| O7 | C5 | C6 | H2 | 120.0° | 29.7° |
| O7 | C5 | C6 | H3 | 120.0° | 149.7° |
| O7 | C5 | N4 | H10 | 177.8° | 179.7° |
| C6 | C5 | N4 | C2 | 177.6° | 180.0° |
| C5 | C6 | H1 | H2 | 120.0° | 120.0° |
| C5 | C6 | H1 | H3 | 120.0° | 120.0° |
| C5 | C6 | H2 | H3 | 120.0° | 120.0° |
| C6 | C5 | N4 | H10 | 2.4° | 0.0° |
| C5 | N4 | C2 | H10 | 180.0° | 180.0° |
| C5 | N4 | C2 | C8 | 80.4° | 155.0° |
| C5 | N4 | C2 | C1 | 157.7° | 85.0° |
| N4 | C5 | C6 | H1 | 179.8° | 90.0° |
| N4 | C5 | C6 | H2 | 60.2° | 150.0° |
| N4 | C5 | C6 | H3 | 59.8° | 30.0° |
| C5 | N4 | C2 | H9 | 38.6° | 35.0° |
| C11 | O10 | C8 | O9 | 2.9° | 0.0° |
| C11 | O10 | C8 | C2 | 176.1° | 180.0° |
| O10 | C11 | H6 | H7 | 120.0° | 120.0° |
| O10 | C11 | H6 | H8 | 120.0° | 120.1° |
| O10 | C11 | H7 | H8 | 120.0° | 120.0° |
| O10 | C8 | C2 | N4 | 143.8° | 180.0° |
| O10 | C8 | O9 | C2 | 178.9° | 180.0° |
| O10 | C8 | C2 | C1 | 93.3° | 60.0° |
| C8 | O10 | C11 | H6 | 180.0° | 60.0° |
| C8 | O10 | C11 | H7 | 60.0° | 60.0° |
| C8 | O10 | C11 | H8 | 60.0° | 180.0° |
| O10 | C8 | C2 | H9 | 24.4° | 60.0° |
| N4 | C2 | C8 | O9 | 37.1° | 0.0° |
| N4 | C2 | C8 | C1 | 122.8° | 120.0° |
| N4 | C2 | C8 | H9 | 119.4° | 120.0° |
| N4 | C2 | C1 | H9 | 119.7° | 120.0° |
| N4 | C2 | C1 | S3 | 58.6° | 60.0° |
| N4 | C2 | C1 | H4 | 62.1° | 60.0° |
| N4 | C2 | C1 | H5 | 179.2° | 180.0° |
| O9 | C8 | C2 | C1 | 85.7° | 120.0° |
| O9 | C8 | C2 | H9 | 156.6° | 120.0° |
| C8 | C2 | C1 | H9 | 117.8° | 120.0° |
| C8 | C2 | C1 | S3 | 178.9° | 180.0° |
| C8 | C2 | C1 | H4 | 60.5° | 60.0° |
| C8 | C2 | C1 | H5 | 58.2° | 60.0° |
| C8 | C2 | N4 | H10 | 99.7° | 25.0° |
| C2 | C1 | S3 | H4 | 120.7° | 120.0° |
| C2 | C1 | S3 | H5 | 120.6° | 120.0° |
| C2 | C1 | H4 | H5 | 117.9° | 120.0° |
| C1 | C2 | N4 | H10 | 22.3° | 95.0° |
| C2 | C1 | S3 | H11 | 180.0° | 180.0° |
| S3 | C1 | H4 | H5 | 117.9° | 120.0° |
| S3 | C1 | C2 | H9 | 61.1° | 60.0° |
| H1 | C6 | H2 | H3 | 119.9° | 120.0° |
| H4 | C1 | C2 | H9 | 178.2° | 180.0° |
| H4 | C1 | S3 | H11 | 59.3° | 60.0° |
| H5 | C1 | C2 | H9 | 59.6° | 60.0° |
| H5 | C1 | S3 | H11 | 59.4° | 60.0° |
| H6 | C11 | H7 | H8 | 120.0° | 120.0° |
| H9 | C2 | N4 | H10 | 141.4° | 145.0° |
