0UI
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C9 | C10 | doub | 1.37Å | 1.36Å | Aromatic |
| C9 | C8 | sing | 1.39Å | 1.41Å | Aromatic |
| O2 | C8 | sing | 1.36Å | 1.37Å | |
| C10 | C11 | sing | 1.40Å | 1.41Å | Aromatic |
| C8 | C7 | doub | 1.38Å | 1.37Å | Aromatic |
| O1 | C1 | doub | 1.22Å | 1.21Å | |
| C11 | C1 | sing | 1.47Å | 1.45Å | |
| C11 | C6 | doub | 1.41Å | 1.42Å | Aromatic |
| C7 | C6 | sing | 1.39Å | 1.41Å | Aromatic |
| C1 | N1 | sing | 1.34Å | 1.38Å | |
| C6 | C5 | sing | 1.48Å | 1.45Å | |
| N1 | C2 | sing | 1.39Å | 1.35Å | |
| C5 | C2 | doub | 1.38Å | 1.41Å | Aromatic |
| C5 | C4 | sing | 1.45Å | 1.44Å | Aromatic |
| C2 | S1 | sing | 1.76Å | 1.74Å | Aromatic |
| C4 | C3 | doub | 1.32Å | 1.37Å | Aromatic |
| S1 | C3 | sing | 1.75Å | 1.72Å | Aromatic |
| C4 | H1 | sing | 1.08Å | 1.08Å | |
| C7 | H2 | sing | 1.08Å | 1.08Å | |
| C9 | H3 | sing | 1.08Å | 1.08Å | |
| C10 | H4 | sing | 1.08Å | 1.08Å | |
| N1 | H5 | sing | 0.97Å | 1.00Å | |
| C3 | H6 | sing | 1.08Å | 1.08Å | |
| O2 | H7 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C10 | C9 | C8 | 120.1° | 120.8° |
| C9 | C10 | C11 | 120.2° | 119.7° |
| C10 | C9 | H3 | 120.0° | 119.6° |
| C9 | C10 | H4 | 119.9° | 120.2° |
| C9 | C8 | O2 | 117.7° | 119.8° |
| C9 | C8 | C7 | 121.5° | 120.5° |
| C8 | C9 | H3 | 120.0° | 119.6° |
| O2 | C8 | C7 | 120.8° | 119.7° |
| C8 | O2 | H7 | 109.5° | 114.0° |
| C10 | C11 | C1 | 120.5° | 121.7° |
| C10 | C11 | C6 | 119.8° | 119.8° |
| C11 | C10 | H4 | 119.9° | 120.2° |
| C8 | C7 | C6 | 119.7° | 119.2° |
| C8 | C7 | H2 | 120.1° | 120.4° |
| O1 | C1 | C11 | 121.1° | 120.1° |
| O1 | C1 | N1 | 118.9° | 120.2° |
| C1 | C11 | C6 | 119.7° | 118.5° |
| C11 | C1 | N1 | 120.0° | 119.7° |
| C11 | C6 | C7 | 118.8° | 119.9° |
| C11 | C6 | C5 | 117.4° | 119.1° |
| C7 | C6 | C5 | 123.7° | 121.0° |
| C6 | C7 | H2 | 120.2° | 120.4° |
| C1 | N1 | C2 | 121.0° | 123.0° |
| C1 | N1 | H5 | 119.5° | 118.4° |
| C6 | C5 | C2 | 119.9° | 118.5° |
| C6 | C5 | C4 | 131.6° | 129.0° |
| N1 | C2 | C5 | 121.9° | 121.2° |
| N1 | C2 | S1 | 123.5° | 129.2° |
| C2 | N1 | H5 | 119.5° | 118.6° |
| C2 | C5 | C4 | 108.5° | 112.5° |
| C5 | C2 | S1 | 114.6° | 109.6° |
| C5 | C4 | C3 | 112.5° | 114.8° |
| C5 | C4 | H1 | 123.8° | 122.6° |
| C2 | S1 | C3 | 89.0° | 92.1° |
| C4 | C3 | S1 | 114.2° | 111.0° |
| C3 | C4 | H1 | 123.7° | 122.6° |
| C4 | C3 | H6 | 122.9° | 124.6° |
| S1 | C3 | H6 | 122.9° | 124.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C10 | C9 | C8 | H3 | 180.0° | 179.9° |
| C10 | C9 | C8 | O2 | 179.8° | 180.0° |
| C9 | C10 | C11 | H4 | 180.0° | 179.9° |
| C10 | C9 | C8 | C7 | 1.3° | 0.1° |
| C9 | C10 | C11 | C1 | 179.2° | 180.0° |
| C9 | C10 | C11 | C6 | 0.2° | 0.1° |
| C9 | C8 | O2 | C7 | 178.4° | 179.9° |
| C8 | C9 | C10 | C11 | 0.6° | 0.1° |
| C9 | C8 | C7 | C6 | 1.6° | 0.0° |
| C9 | C8 | C7 | H2 | 178.4° | 179.9° |
| C8 | C9 | C10 | H4 | 179.4° | 180.0° |
| C9 | C8 | O2 | H7 | 180.0° | 90.0° |
| O2 | C8 | C7 | C6 | 180.0° | 180.0° |
| O2 | C8 | C7 | H2 | 0.0° | 0.0° |
| O2 | C8 | C9 | H3 | 0.2° | 0.1° |
| C10 | C11 | C1 | O1 | 2.3° | 0.1° |
| C10 | C11 | C1 | C6 | 179.0° | 180.0° |
| C10 | C11 | C6 | C7 | 0.5° | 0.0° |
| C10 | C11 | C1 | N1 | 177.8° | 180.0° |
| C10 | C11 | C6 | C5 | 178.1° | 180.0° |
| C11 | C10 | C9 | H3 | 179.4° | 180.0° |
| C8 | C7 | C6 | C11 | 1.2° | 0.0° |
| C8 | C7 | C6 | H2 | 180.0° | 179.9° |
| C8 | C7 | C6 | C5 | 178.6° | 180.0° |
| C7 | C8 | C9 | H3 | 178.7° | 180.0° |
| C7 | C8 | O2 | H7 | 1.6° | 90.0° |
| O1 | C1 | C11 | N1 | 179.9° | 180.0° |
| O1 | C1 | C11 | C6 | 176.7° | 180.0° |
| O1 | C1 | N1 | C2 | 177.1° | 180.0° |
| O1 | C1 | N1 | H5 | 2.9° | 0.0° |
| C1 | C11 | C6 | C7 | 179.5° | 180.0° |
| C1 | C11 | C6 | C5 | 2.9° | 0.0° |
| C11 | C1 | N1 | C2 | 2.8° | 0.0° |
| C1 | C11 | C10 | H4 | 0.8° | 0.1° |
| C11 | C1 | N1 | H5 | 177.2° | 180.0° |
| C11 | C6 | C7 | C5 | 177.4° | 180.0° |
| C6 | C11 | C1 | N1 | 3.2° | 0.0° |
| C11 | C6 | C5 | C2 | 2.4° | 0.0° |
| C11 | C6 | C5 | C4 | 177.9° | 180.0° |
| C11 | C6 | C7 | H2 | 178.8° | 179.9° |
| C6 | C11 | C10 | H4 | 179.8° | 179.9° |
| C7 | C6 | C5 | C2 | 179.8° | 180.0° |
| C7 | C6 | C5 | C4 | 0.5° | 0.0° |
| C1 | N1 | C2 | H5 | 180.0° | 180.0° |
| C1 | N1 | C2 | C5 | 2.3° | 0.0° |
| C1 | N1 | C2 | S1 | 179.1° | 179.8° |
| C6 | C5 | C2 | N1 | 2.1° | 0.0° |
| C6 | C5 | C2 | C4 | 179.7° | 180.0° |
| C6 | C5 | C2 | S1 | 179.2° | 179.8° |
| C6 | C5 | C4 | C3 | 173.5° | 180.0° |
| C6 | C5 | C4 | H1 | 6.5° | 0.2° |
| C5 | C6 | C7 | H2 | 1.4° | 0.1° |
| N1 | C2 | C5 | S1 | 178.7° | 179.8° |
| N1 | C2 | C5 | C4 | 178.2° | 179.9° |
| N1 | C2 | S1 | C3 | 172.9° | 179.9° |
| C2 | C5 | C4 | C3 | 6.8° | 0.0° |
| C5 | C2 | S1 | C3 | 5.8° | 0.3° |
| C2 | C5 | C4 | H1 | 173.2° | 179.8° |
| C5 | C2 | N1 | H5 | 177.7° | 180.0° |
| C4 | C5 | C2 | S1 | 0.5° | 0.2° |
| C5 | C4 | C3 | H1 | 180.0° | 179.8° |
| C5 | C4 | C3 | S1 | 11.6° | 0.2° |
| C5 | C4 | C3 | H6 | 168.4° | 179.7° |
| C2 | S1 | C3 | C4 | 9.9° | 0.3° |
| S1 | C2 | N1 | H5 | 0.9° | 0.2° |
| C2 | S1 | C3 | H6 | 170.1° | 179.6° |
| C4 | C3 | S1 | H6 | 180.0° | 179.9° |
| S1 | C3 | C4 | H1 | 168.4° | 180.0° |
| H1 | C4 | C3 | H6 | 11.6° | 0.1° |
| H3 | C9 | C10 | H4 | 0.6° | 0.1° |
