UE7
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O2 | S | doub | 1.42Å | 1.43Å | |
| O1 | S | doub | 1.42Å | 1.44Å | |
| S | N1 | sing | 1.66Å | 1.57Å | |
| S | C4 | sing | 1.76Å | 1.76Å | |
| C3 | C4 | doub | 1.38Å | 1.41Å | Aromatic |
| C3 | C2 | sing | 1.38Å | 1.39Å | Aromatic |
| C4 | C5 | sing | 1.38Å | 1.35Å | Aromatic |
| C2 | C1 | doub | 1.39Å | 1.38Å | Aromatic |
| C5 | C6 | doub | 1.38Å | 1.39Å | Aromatic |
| C1 | C6 | sing | 1.39Å | 1.39Å | Aromatic |
| C1 | N | sing | 1.40Å | 1.42Å | |
| N | C | sing | 1.35Å | 1.34Å | |
| N2 | C | sing | 1.35Å | 1.39Å | |
| N2 | C7 | sing | 1.46Å | 1.50Å | |
| C | O | doub | 1.22Å | 1.25Å | |
| C8 | C7 | sing | 1.53Å | 1.46Å | |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| N1 | H2 | sing | 0.97Å | 1.00Å | |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C2 | H4 | sing | 1.08Å | 1.08Å | |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| N | H7 | sing | 0.97Å | 1.00Å | |
| N2 | H8 | sing | 0.97Å | 1.00Å | |
| C7 | H9 | sing | 1.09Å | 1.10Å | |
| C7 | H10 | sing | 1.09Å | 1.10Å | |
| C8 | H11 | sing | 1.09Å | 1.10Å | |
| C8 | H12 | sing | 1.09Å | 1.10Å | |
| C8 | H13 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O2 | S | O1 | 118.0° | 123.2° |
| O2 | S | N1 | 111.5° | 106.4° |
| O2 | S | C4 | 102.1° | 106.4° |
| O1 | S | N1 | 109.8° | 106.4° |
| O1 | S | C4 | 108.3° | 106.4° |
| N1 | S | C4 | 106.2° | 107.2° |
| S | N1 | H1 | 109.5° | 120.0° |
| S | N1 | H2 | 109.5° | 120.0° |
| S | C4 | C3 | 117.5° | 119.9° |
| S | C4 | C5 | 120.6° | 119.9° |
| C4 | C3 | C2 | 119.4° | 120.1° |
| C3 | C4 | C5 | 121.2° | 120.1° |
| C4 | C3 | H3 | 120.3° | 120.0° |
| C3 | C2 | C1 | 119.6° | 120.0° |
| C2 | C3 | H3 | 120.3° | 120.0° |
| C3 | C2 | H4 | 120.2° | 120.1° |
| C4 | C5 | C6 | 119.0° | 120.1° |
| C4 | C5 | H5 | 120.5° | 120.0° |
| C2 | C1 | C6 | 119.6° | 119.8° |
| C2 | C1 | N | 116.8° | 120.1° |
| C1 | C2 | H4 | 120.2° | 120.0° |
| C5 | C6 | C1 | 121.2° | 119.9° |
| C6 | C5 | H5 | 120.5° | 120.0° |
| C5 | C6 | H6 | 119.4° | 120.0° |
| C6 | C1 | N | 123.1° | 120.1° |
| C1 | C6 | H6 | 119.4° | 120.1° |
| C1 | N | C | 124.5° | 120.0° |
| C1 | N | H7 | 117.8° | 120.0° |
| N | C | N2 | 116.0° | 120.0° |
| N | C | O | 118.9° | 120.0° |
| C | N | H7 | 117.7° | 120.0° |
| C | N2 | C7 | 121.2° | 120.0° |
| N2 | C | O | 125.1° | 120.0° |
| C | N2 | H8 | 119.4° | 119.9° |
| N2 | C7 | C8 | 112.3° | 109.4° |
| C7 | N2 | H8 | 119.4° | 120.0° |
| N2 | C7 | H9 | 108.8° | 109.5° |
| N2 | C7 | H10 | 108.7° | 109.5° |
| C8 | C7 | H9 | 108.8° | 109.5° |
| C8 | C7 | H10 | 108.8° | 109.5° |
| C7 | C8 | H11 | 109.5° | 109.5° |
| C7 | C8 | H12 | 109.5° | 109.4° |
| C7 | C8 | H13 | 109.5° | 109.5° |
| H1 | N1 | H2 | 109.5° | 120.0° |
| H9 | C7 | H10 | 109.5° | 109.5° |
| H11 | C8 | H12 | 109.5° | 109.4° |
| H11 | C8 | H13 | 109.5° | 109.5° |
| H12 | C8 | H13 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O2 | S | O1 | N1 | 129.2° | 123.0° |
| O2 | S | O1 | C4 | 115.2° | 123.0° |
| O2 | S | N1 | C4 | 110.4° | 113.5° |
| O2 | S | C4 | C3 | 24.2° | 156.8° |
| O2 | S | C4 | C5 | 145.8° | 23.5° |
| O2 | S | N1 | H1 | 180.0° | 6.5° |
| O2 | S | N1 | H2 | 60.0° | 173.6° |
| O1 | S | N1 | C4 | 116.9° | 113.5° |
| O1 | S | C4 | C3 | 101.0° | 23.8° |
| O1 | S | C4 | C5 | 89.0° | 156.5° |
| O1 | S | N1 | H1 | 47.3° | 126.5° |
| O1 | S | N1 | H2 | 72.7° | 53.4° |
| N1 | S | C4 | C3 | 141.1° | 89.7° |
| N1 | S | C4 | C5 | 28.9° | 90.0° |
| S | N1 | H1 | H2 | 120.0° | 179.9° |
| S | C4 | C3 | C5 | 170.0° | 179.7° |
| S | C4 | C3 | C2 | 167.6° | 180.0° |
| S | C4 | C5 | C6 | 168.9° | 180.0° |
| C4 | S | N1 | H1 | 69.6° | 120.1° |
| C4 | S | N1 | H2 | 170.4° | 60.1° |
| S | C4 | C3 | H3 | 12.4° | 0.0° |
| S | C4 | C5 | H5 | 11.1° | 0.0° |
| C4 | C3 | C2 | H3 | 180.0° | 180.0° |
| C4 | C3 | C2 | C1 | 2.3° | 0.0° |
| C3 | C4 | C5 | C6 | 0.7° | 0.3° |
| C4 | C3 | C2 | H4 | 177.7° | 179.9° |
| C3 | C4 | C5 | H5 | 179.3° | 179.8° |
| C2 | C3 | C4 | C5 | 2.3° | 0.3° |
| C3 | C2 | C1 | H4 | 180.0° | 179.9° |
| C3 | C2 | C1 | C6 | 0.8° | 0.3° |
| C3 | C2 | C1 | N | 172.7° | 180.0° |
| C4 | C5 | C6 | H5 | 180.0° | 179.9° |
| C4 | C5 | C6 | C1 | 0.9° | 0.0° |
| C5 | C4 | C3 | H3 | 177.6° | 179.7° |
| C4 | C5 | C6 | H6 | 179.2° | 179.9° |
| C2 | C1 | C6 | C5 | 0.8° | 0.3° |
| C2 | C1 | C6 | N | 171.4° | 179.7° |
| C2 | C1 | N | C | 104.8° | 146.9° |
| C1 | C2 | C3 | H3 | 177.6° | 180.0° |
| C2 | C1 | C6 | H6 | 179.2° | 179.6° |
| C2 | C1 | N | H7 | 75.2° | 33.1° |
| C5 | C6 | C1 | H6 | 180.0° | 179.9° |
| C5 | C6 | C1 | N | 170.6° | 180.0° |
| C6 | C1 | N | C | 83.6° | 33.4° |
| C6 | C1 | C2 | H4 | 179.2° | 179.8° |
| C1 | C6 | C5 | H5 | 179.1° | 180.0° |
| C6 | C1 | N | H7 | 96.4° | 146.6° |
| C1 | N | C | H7 | 180.0° | 180.0° |
| C1 | N | C | N2 | 4.3° | 174.7° |
| C1 | N | C | O | 179.4° | 5.3° |
| N | C1 | C2 | H4 | 7.3° | 0.1° |
| N | C1 | C6 | H6 | 9.4° | 0.1° |
| N | C | N2 | O | 176.0° | 180.0° |
| N | C | N2 | C7 | 177.6° | 180.0° |
| N | C | N2 | H8 | 2.4° | 0.0° |
| C | N2 | C7 | H8 | 180.0° | 180.0° |
| C | N2 | C7 | C8 | 153.9° | 180.0° |
| N2 | C | N | H7 | 175.7° | 5.3° |
| C | N2 | C7 | H9 | 85.7° | 60.0° |
| C | N2 | C7 | H10 | 33.5° | 60.0° |
| C7 | N2 | C | O | 6.3° | 0.0° |
| N2 | C7 | C8 | H9 | 120.4° | 120.0° |
| N2 | C7 | C8 | H10 | 120.4° | 120.0° |
| N2 | C7 | H9 | H10 | 118.7° | 120.0° |
| N2 | C7 | C8 | H11 | 180.0° | 60.1° |
| N2 | C7 | C8 | H12 | 60.0° | 180.0° |
| N2 | C7 | C8 | H13 | 60.0° | 60.0° |
| O | C | N | H7 | 0.6° | 174.7° |
| O | C | N2 | H8 | 173.7° | 180.0° |
| C8 | C7 | N2 | H8 | 26.1° | 0.0° |
| C8 | C7 | H9 | H10 | 118.7° | 120.0° |
| C7 | C8 | H11 | H12 | 120.0° | 119.9° |
| C7 | C8 | H11 | H13 | 120.0° | 120.1° |
| C7 | C8 | H12 | H13 | 120.0° | 120.0° |
| H3 | C3 | C2 | H4 | 2.4° | 0.1° |
| H5 | C5 | C6 | H6 | 0.8° | 0.1° |
| H8 | N2 | C7 | H9 | 94.3° | 120.0° |
| H8 | N2 | C7 | H10 | 146.6° | 120.0° |
| H9 | C7 | C8 | H11 | 59.6° | 59.9° |
| H9 | C7 | C8 | H12 | 179.6° | 60.0° |
| H9 | C7 | C8 | H13 | 60.4° | 180.0° |
| H10 | C7 | C8 | H11 | 59.6° | 179.9° |
| H10 | C7 | C8 | H12 | 60.4° | 60.0° |
| H10 | C7 | C8 | H13 | 179.6° | 60.0° |
| H11 | C8 | H12 | H13 | 120.0° | 120.0° |
