UZ8
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C9 | C8 | sing | 1.55Å | 1.50Å | |
| C9 | C10 | sing | 1.55Å | 1.52Å | |
| C8 | C7 | sing | 1.54Å | 1.51Å | |
| C10 | N1 | sing | 1.47Å | 1.47Å | |
| C7 | N1 | sing | 1.47Å | 1.44Å | |
| N1 | C6 | sing | 1.35Å | 1.39Å | |
| C6 | O | doub | 1.21Å | 1.21Å | |
| C6 | C2 | sing | 1.47Å | 1.49Å | |
| S | C | sing | 1.81Å | 1.76Å | |
| S | C1 | sing | 1.76Å | 1.67Å | |
| C2 | C1 | doub | 1.41Å | 1.32Å | Aromatic |
| C2 | C3 | sing | 1.40Å | 1.35Å | Aromatic |
| C1 | N | sing | 1.33Å | 1.32Å | Aromatic |
| C3 | C4 | doub | 1.38Å | 1.38Å | Aromatic |
| N | C5 | doub | 1.32Å | 1.32Å | Aromatic |
| C5 | C4 | sing | 1.38Å | 1.34Å | Aromatic |
| C7 | H1 | sing | 1.09Å | 1.10Å | |
| C7 | H2 | sing | 1.09Å | 1.10Å | |
| C8 | H3 | sing | 1.09Å | 1.10Å | |
| C8 | H4 | sing | 1.09Å | 1.10Å | |
| C9 | H5 | sing | 1.09Å | 1.10Å | |
| C9 | H6 | sing | 1.09Å | 1.10Å | |
| C5 | H7 | sing | 1.08Å | 1.08Å | |
| C4 | H8 | sing | 1.08Å | 1.08Å | |
| C3 | H9 | sing | 1.08Å | 1.08Å | |
| C10 | H10 | sing | 1.09Å | 1.10Å | |
| C10 | H11 | sing | 1.09Å | 1.10Å | |
| C | H12 | sing | 1.09Å | 1.10Å | |
| C | H13 | sing | 1.09Å | 1.10Å | |
| C | H14 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C8 | C9 | C10 | 106.1° | 101.7° |
| C9 | C8 | C7 | 103.1° | 102.9° |
| C9 | C8 | H3 | 111.1° | 110.7° |
| C9 | C8 | H4 | 111.0° | 110.8° |
| C8 | C9 | H5 | 110.3° | 111.0° |
| C8 | C9 | H6 | 110.3° | 111.0° |
| C9 | C10 | N1 | 103.8° | 104.9° |
| C10 | C9 | H5 | 110.3° | 110.8° |
| C10 | C9 | H6 | 110.3° | 111.1° |
| C9 | C10 | H10 | 110.9° | 110.4° |
| C9 | C10 | H11 | 110.9° | 110.4° |
| C8 | C7 | N1 | 106.4° | 107.3° |
| C8 | C7 | H1 | 110.2° | 109.9° |
| C8 | C7 | H2 | 110.2° | 110.0° |
| C7 | C8 | H3 | 111.0° | 110.8° |
| C7 | C8 | H4 | 111.1° | 110.7° |
| C10 | N1 | C7 | 111.1° | 108.7° |
| C10 | N1 | C6 | 126.4° | 125.7° |
| N1 | C10 | H10 | 110.9° | 110.0° |
| N1 | C10 | H11 | 110.8° | 110.6° |
| C7 | N1 | C6 | 122.2° | 125.6° |
| N1 | C7 | H1 | 110.3° | 109.8° |
| N1 | C7 | H2 | 110.2° | 109.9° |
| N1 | C6 | O | 120.6° | 120.1° |
| N1 | C6 | C2 | 116.8° | 119.9° |
| O | C6 | C2 | 122.6° | 120.0° |
| C6 | C2 | C1 | 123.9° | 120.6° |
| C6 | C2 | C3 | 120.1° | 120.6° |
| C | S | C1 | 99.7° | 100.0° |
| S | C | H12 | 109.5° | 109.4° |
| S | C | H13 | 109.5° | 109.5° |
| S | C | H14 | 109.5° | 109.4° |
| S | C1 | C2 | 118.4° | 119.9° |
| S | C1 | N | 116.9° | 119.8° |
| C1 | C2 | C3 | 116.1° | 118.8° |
| C2 | C1 | N | 124.5° | 120.3° |
| C2 | C3 | C4 | 121.5° | 118.3° |
| C2 | C3 | H9 | 119.2° | 120.9° |
| C1 | N | C5 | 119.0° | 121.8° |
| C3 | C4 | C5 | 117.9° | 119.5° |
| C3 | C4 | H8 | 121.0° | 120.2° |
| C4 | C3 | H9 | 119.3° | 120.8° |
| N | C5 | C4 | 121.0° | 121.2° |
| N | C5 | H7 | 119.5° | 119.4° |
| C4 | C5 | H7 | 119.5° | 119.4° |
| C5 | C4 | H8 | 121.0° | 120.2° |
| H1 | C7 | H2 | 109.5° | 109.9° |
| H3 | C8 | H4 | 109.4° | 110.7° |
| H5 | C9 | H6 | 109.5° | 110.9° |
| H10 | C10 | H11 | 109.5° | 110.4° |
| H12 | C | H13 | 109.5° | 109.5° |
| H12 | C | H14 | 109.4° | 109.5° |
| H13 | C | H14 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C8 | C9 | C10 | H5 | 119.5° | 118.0° |
| C8 | C9 | C10 | H6 | 119.5° | 118.2° |
| C9 | C8 | C7 | H3 | 119.0° | 118.4° |
| C9 | C8 | C7 | H4 | 119.0° | 118.5° |
| C8 | C9 | C10 | N1 | 23.7° | 36.7° |
| C9 | C8 | C7 | N1 | 26.7° | 22.2° |
| C9 | C8 | C7 | H1 | 92.8° | 97.2° |
| C9 | C8 | C7 | H2 | 146.2° | 141.7° |
| C9 | C8 | H3 | H4 | 123.0° | 123.3° |
| C8 | C9 | H5 | H6 | 121.6° | 123.8° |
| C8 | C9 | C10 | H10 | 95.4° | 81.8° |
| C8 | C9 | C10 | H11 | 142.8° | 155.8° |
| C10 | C9 | C8 | C7 | 31.0° | 35.3° |
| C9 | C10 | N1 | H10 | 119.1° | 118.7° |
| C9 | C10 | N1 | H11 | 119.1° | 119.0° |
| C9 | C10 | N1 | C7 | 6.9° | 23.8° |
| C9 | C10 | N1 | C6 | 179.1° | 155.9° |
| C10 | C9 | C8 | H3 | 150.0° | 153.7° |
| C10 | C9 | C8 | H4 | 88.0° | 83.1° |
| C10 | C9 | H5 | H6 | 121.5° | 123.9° |
| C9 | C10 | H10 | H11 | 122.6° | 122.3° |
| C8 | C7 | N1 | C10 | 12.5° | 0.8° |
| C8 | C7 | N1 | H1 | 119.5° | 119.4° |
| C8 | C7 | N1 | H2 | 119.5° | 119.6° |
| C8 | C7 | N1 | C6 | 161.8° | 178.9° |
| C8 | C7 | H1 | H2 | 121.4° | 121.2° |
| C7 | C8 | H3 | H4 | 122.9° | 123.2° |
| C7 | C8 | C9 | H5 | 150.5° | 82.6° |
| C7 | C8 | C9 | H6 | 88.4° | 153.6° |
| C10 | N1 | C7 | C6 | 174.3° | 179.7° |
| C10 | N1 | C6 | O | 13.8° | 176.3° |
| C10 | N1 | C6 | C2 | 168.1° | 3.7° |
| C10 | N1 | C7 | H1 | 107.0° | 120.2° |
| C10 | N1 | C7 | H2 | 132.0° | 118.8° |
| N1 | C10 | C9 | H5 | 143.2° | 81.3° |
| N1 | C10 | C9 | H6 | 95.7° | 154.9° |
| N1 | C10 | H10 | H11 | 122.6° | 122.3° |
| C7 | N1 | C6 | O | 172.8° | 4.0° |
| C7 | N1 | C6 | C2 | 5.3° | 175.9° |
| N1 | C7 | H1 | H2 | 121.4° | 121.0° |
| N1 | C7 | C8 | H3 | 145.7° | 140.5° |
| N1 | C7 | C8 | H4 | 92.3° | 96.3° |
| C7 | N1 | C10 | H10 | 112.2° | 94.9° |
| C7 | N1 | C10 | H11 | 126.0° | 142.8° |
| N1 | C6 | O | C2 | 178.0° | 180.0° |
| N1 | C6 | C2 | C1 | 123.6° | 143.9° |
| N1 | C6 | C2 | C3 | 55.1° | 36.2° |
| C6 | N1 | C7 | H1 | 78.7° | 59.5° |
| C6 | N1 | C7 | H2 | 42.3° | 61.5° |
| C6 | N1 | C10 | H10 | 61.8° | 85.4° |
| C6 | N1 | C10 | H11 | 60.0° | 36.9° |
| O | C6 | C2 | C1 | 54.5° | 36.0° |
| O | C6 | C2 | C3 | 126.8° | 143.9° |
| C6 | C2 | C1 | S | 8.2° | 0.2° |
| C6 | C2 | C1 | C3 | 178.7° | 179.9° |
| C6 | C2 | C1 | N | 176.4° | 179.9° |
| C6 | C2 | C3 | C4 | 177.7° | 179.9° |
| C6 | C2 | C3 | H9 | 2.3° | 0.1° |
| C | S | C1 | C2 | 165.4° | 179.7° |
| C | S | C1 | N | 10.4° | 0.0° |
| S | C | H12 | H13 | 120.0° | 120.0° |
| S | C | H12 | H14 | 120.0° | 119.9° |
| S | C | H13 | H14 | 120.0° | 120.0° |
| S | C1 | C2 | N | 175.4° | 179.7° |
| S | C1 | C2 | C3 | 173.0° | 179.7° |
| S | C1 | N | C5 | 173.7° | 179.7° |
| C1 | S | C | H12 | 180.0° | 60.0° |
| C1 | S | C | H13 | 60.0° | 60.0° |
| C1 | S | C | H14 | 60.0° | 180.0° |
| C1 | C2 | C3 | C4 | 1.1° | 0.0° |
| C2 | C1 | N | C5 | 1.8° | 0.0° |
| C1 | C2 | C3 | H9 | 178.9° | 180.0° |
| C3 | C2 | C1 | N | 2.4° | 0.0° |
| C2 | C3 | C4 | H9 | 180.0° | 180.0° |
| C2 | C3 | C4 | C5 | 0.6° | 0.0° |
| C2 | C3 | C4 | H8 | 179.4° | 180.0° |
| C1 | N | C5 | C4 | 0.1° | 0.0° |
| C1 | N | C5 | H7 | 179.9° | 179.9° |
| C3 | C4 | C5 | N | 1.3° | 0.0° |
| C3 | C4 | C5 | H8 | 180.0° | 180.0° |
| C3 | C4 | C5 | H7 | 178.8° | 180.0° |
| N | C5 | C4 | H7 | 180.0° | 179.9° |
| N | C5 | C4 | H8 | 178.8° | 180.0° |
| C5 | C4 | C3 | H9 | 179.4° | 180.0° |
| H1 | C7 | C8 | H3 | 26.2° | 21.2° |
| H1 | C7 | C8 | H4 | 148.2° | 144.3° |
| H2 | C7 | C8 | H3 | 94.8° | 100.0° |
| H2 | C7 | C8 | H4 | 27.2° | 23.2° |
| H3 | C8 | C9 | H5 | 90.5° | 35.8° |
| H3 | C8 | C9 | H6 | 30.6° | 88.0° |
| H4 | C8 | C9 | H5 | 31.5° | 159.0° |
| H4 | C8 | C9 | H6 | 152.6° | 35.2° |
| H5 | C9 | C10 | H10 | 24.1° | 160.2° |
| H5 | C9 | C10 | H11 | 97.7° | 37.8° |
| H6 | C9 | C10 | H10 | 145.1° | 36.4° |
| H6 | C9 | C10 | H11 | 23.3° | 86.0° |
| H7 | C5 | C4 | H8 | 1.2° | 0.1° |
| H8 | C4 | C3 | H9 | 0.6° | 0.0° |
| H12 | C | H13 | H14 | 120.0° | 120.0° |
