UGV
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C9 | doub | 1.32Å | 1.34Å | Aromatic |
| N1 | C10 | sing | 1.32Å | 1.34Å | Aromatic |
| C9 | C8 | sing | 1.38Å | 1.38Å | Aromatic |
| C10 | C6 | doub | 1.39Å | 1.39Å | Aromatic |
| C8 | C7 | doub | 1.38Å | 1.39Å | Aromatic |
| C6 | C7 | sing | 1.39Å | 1.39Å | Aromatic |
| C6 | N | sing | 1.40Å | 1.41Å | |
| N | C5 | sing | 1.35Å | 1.35Å | |
| O | C5 | doub | 1.21Å | 1.23Å | |
| C5 | C4 | sing | 1.51Å | 1.51Å | |
| S | C3 | sing | 1.76Å | 1.73Å | Aromatic |
| S | C | sing | 1.76Å | 1.72Å | Aromatic |
| C4 | C3 | sing | 1.51Å | 1.50Å | |
| C3 | C2 | doub | 1.33Å | 1.38Å | Aromatic |
| C | CL | sing | 1.74Å | 1.71Å | |
| C | C1 | doub | 1.34Å | 1.35Å | Aromatic |
| C2 | C1 | sing | 1.38Å | 1.40Å | Aromatic |
| C4 | H1 | sing | 1.09Å | 1.10Å | |
| C4 | H2 | sing | 1.09Å | 1.10Å | |
| C7 | H3 | sing | 1.08Å | 1.08Å | |
| C8 | H4 | sing | 1.08Å | 1.08Å | |
| C10 | H5 | sing | 1.08Å | 1.08Å | |
| C2 | H6 | sing | 1.08Å | 1.08Å | |
| C1 | H7 | sing | 1.08Å | 1.08Å | |
| N | H8 | sing | 0.97Å | 1.00Å | |
| C9 | H9 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C9 | N1 | C10 | 117.5° | 121.8° |
| N1 | C9 | C8 | 123.5° | 120.9° |
| N1 | C9 | H9 | 118.3° | 119.5° |
| N1 | C10 | C6 | 123.5° | 120.6° |
| N1 | C10 | H5 | 118.2° | 119.7° |
| C9 | C8 | C7 | 118.4° | 119.2° |
| C9 | C8 | H4 | 120.8° | 120.4° |
| C8 | C9 | H9 | 118.2° | 119.5° |
| C10 | C6 | C7 | 117.7° | 119.0° |
| C10 | C6 | N | 121.1° | 120.5° |
| C6 | C10 | H5 | 118.3° | 119.6° |
| C8 | C7 | C6 | 119.4° | 118.4° |
| C8 | C7 | H3 | 120.3° | 120.8° |
| C7 | C8 | H4 | 120.8° | 120.4° |
| C7 | C6 | N | 121.2° | 120.5° |
| C6 | C7 | H3 | 120.3° | 120.8° |
| C6 | N | C5 | 127.4° | 120.0° |
| C6 | N | H8 | 116.3° | 120.0° |
| N | C5 | O | 123.8° | 119.9° |
| N | C5 | C4 | 114.8° | 120.0° |
| C5 | N | H8 | 116.3° | 120.0° |
| O | C5 | C4 | 121.4° | 120.0° |
| C5 | C4 | C3 | 104.5° | 109.4° |
| C5 | C4 | H1 | 110.7° | 109.5° |
| C5 | C4 | H2 | 110.7° | 109.5° |
| C3 | S | C | 90.7° | 91.0° |
| S | C3 | C4 | 122.2° | 125.2° |
| S | C3 | C2 | 110.7° | 109.6° |
| S | C | CL | 119.7° | 125.2° |
| S | C | C1 | 113.5° | 109.6° |
| C4 | C3 | C2 | 127.0° | 125.2° |
| C3 | C4 | H1 | 110.7° | 109.5° |
| C3 | C4 | H2 | 110.7° | 109.5° |
| C3 | C2 | C1 | 113.6° | 114.9° |
| C3 | C2 | H6 | 123.2° | 122.5° |
| CL | C | C1 | 126.8° | 125.2° |
| C | C1 | C2 | 111.5° | 114.9° |
| C | C1 | H7 | 124.3° | 122.6° |
| C1 | C2 | H6 | 123.2° | 122.5° |
| C2 | C1 | H7 | 124.2° | 122.6° |
| H1 | C4 | H2 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N1 | C9 | C8 | H9 | 180.0° | 179.9° |
| C9 | N1 | C10 | C6 | 0.6° | 0.0° |
| N1 | C9 | C8 | C7 | 0.8° | 0.0° |
| N1 | C9 | C8 | H4 | 179.2° | 180.0° |
| C9 | N1 | C10 | H5 | 179.4° | 180.0° |
| C10 | N1 | C9 | C8 | 0.2° | 0.1° |
| N1 | C10 | C6 | H5 | 180.0° | 180.0° |
| N1 | C10 | C6 | C7 | 0.8° | 0.0° |
| N1 | C10 | C6 | N | 178.2° | 179.9° |
| C10 | N1 | C9 | H9 | 179.8° | 180.0° |
| C9 | C8 | C7 | H4 | 180.0° | 180.0° |
| C9 | C8 | C7 | C6 | 0.6° | 0.0° |
| C9 | C8 | C7 | H3 | 179.4° | 180.0° |
| C10 | C6 | C7 | C8 | 0.1° | 0.0° |
| C10 | C6 | C7 | N | 179.0° | 179.9° |
| C10 | C6 | N | C5 | 66.4° | 145.0° |
| C10 | C6 | C7 | H3 | 179.9° | 180.0° |
| C10 | C6 | N | H8 | 113.6° | 35.0° |
| C8 | C7 | C6 | H3 | 180.0° | 180.0° |
| C8 | C7 | C6 | N | 178.9° | 180.0° |
| C7 | C8 | C9 | H9 | 179.2° | 180.0° |
| C7 | C6 | N | C5 | 114.7° | 35.0° |
| C6 | C7 | C8 | H4 | 179.4° | 180.0° |
| C7 | C6 | C10 | H5 | 179.2° | 180.0° |
| C7 | C6 | N | H8 | 65.3° | 145.0° |
| C6 | N | C5 | H8 | 180.0° | 180.0° |
| C6 | N | C5 | O | 2.1° | 4.7° |
| C6 | N | C5 | C4 | 177.1° | 175.3° |
| N | C6 | C7 | H3 | 1.1° | 0.1° |
| N | C6 | C10 | H5 | 1.8° | 0.1° |
| N | C5 | O | C4 | 179.1° | 180.0° |
| N | C5 | C4 | C3 | 172.8° | 180.0° |
| N | C5 | C4 | H1 | 53.6° | 60.0° |
| N | C5 | C4 | H2 | 68.0° | 60.0° |
| O | C5 | C4 | C3 | 6.4° | 0.0° |
| O | C5 | C4 | H1 | 125.6° | 120.0° |
| O | C5 | C4 | H2 | 112.8° | 120.0° |
| O | C5 | N | H8 | 177.9° | 175.3° |
| C5 | C4 | C3 | S | 79.3° | 90.3° |
| C5 | C4 | C3 | H1 | 119.2° | 120.0° |
| C5 | C4 | C3 | H2 | 119.2° | 120.0° |
| C5 | C4 | C3 | C2 | 99.0° | 90.0° |
| C5 | C4 | H1 | H2 | 122.3° | 120.0° |
| C4 | C5 | N | H8 | 2.9° | 4.7° |
| S | C3 | C4 | C2 | 178.3° | 179.6° |
| C3 | S | C | CL | 179.7° | 180.0° |
| C3 | S | C | C1 | 0.2° | 0.3° |
| S | C3 | C2 | C1 | 0.8° | 0.3° |
| S | C3 | C4 | H1 | 161.5° | 149.7° |
| S | C3 | C4 | H2 | 39.9° | 29.6° |
| S | C3 | C2 | H6 | 179.3° | 179.8° |
| C | S | C3 | C4 | 178.0° | 180.0° |
| C | S | C3 | C2 | 0.6° | 0.3° |
| S | C | CL | C1 | 179.4° | 179.6° |
| S | C | C1 | C2 | 0.1° | 0.3° |
| S | C | C1 | H7 | 179.9° | 179.7° |
| C4 | C3 | C2 | C1 | 177.7° | 180.0° |
| C3 | C4 | H1 | H2 | 122.3° | 120.0° |
| C4 | C3 | C2 | H6 | 2.3° | 0.1° |
| C3 | C2 | C1 | C | 0.6° | 0.0° |
| C3 | C2 | C1 | H6 | 180.0° | 179.9° |
| C2 | C3 | C4 | H1 | 20.2° | 30.0° |
| C2 | C3 | C4 | H2 | 141.8° | 150.0° |
| C3 | C2 | C1 | H7 | 179.4° | 180.0° |
| CL | C | C1 | C2 | 179.3° | 179.9° |
| CL | C | C1 | H7 | 0.7° | 0.1° |
| C | C1 | C2 | H7 | 180.0° | 180.0° |
| C | C1 | C2 | H6 | 179.4° | 180.0° |
| H3 | C7 | C8 | H4 | 0.6° | 0.0° |
| H4 | C8 | C9 | H9 | 0.8° | 0.0° |
| H6 | C2 | C1 | H7 | 0.6° | 0.1° |
