O0P
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C5 | C4 | doub | 1.38Å | 1.33Å | Aromatic |
| C5 | C6 | sing | 1.38Å | 1.32Å | Aromatic |
| C4 | C3 | sing | 1.38Å | 1.37Å | Aromatic |
| F | C6 | sing | 1.35Å | 1.28Å | |
| C6 | C7 | doub | 1.39Å | 1.35Å | Aromatic |
| C3 | C2 | doub | 1.38Å | 1.38Å | Aromatic |
| C7 | C2 | sing | 1.38Å | 1.34Å | Aromatic |
| C2 | C1 | sing | 1.51Å | 1.58Å | |
| C1 | N | sing | 1.47Å | 1.50Å | |
| C | N | sing | 1.46Å | 1.47Å | |
| N | S | sing | 1.66Å | 1.54Å | |
| N1 | S | sing | 1.66Å | 1.59Å | |
| S | O | doub | 1.42Å | 1.34Å | |
| S | O1 | doub | 1.42Å | 1.31Å | |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| N1 | H2 | sing | 0.97Å | 1.00Å | |
| C4 | H3 | sing | 1.08Å | 1.08Å | |
| C5 | H4 | sing | 1.08Å | 1.08Å | |
| C7 | H5 | sing | 1.08Å | 1.08Å | |
| C | H6 | sing | 1.09Å | 1.10Å | |
| C | H7 | sing | 1.09Å | 1.10Å | |
| C | H8 | sing | 1.09Å | 1.10Å | |
| C1 | H9 | sing | 1.09Å | 1.10Å | |
| C1 | H10 | sing | 1.09Å | 1.10Å | |
| C3 | H11 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C4 | C5 | C6 | 117.8° | 120.0° |
| C5 | C4 | C3 | 120.1° | 120.0° |
| C5 | C4 | H3 | 120.0° | 120.0° |
| C4 | C5 | H4 | 121.1° | 120.0° |
| C5 | C6 | F | 117.1° | 120.0° |
| C5 | C6 | C7 | 124.0° | 120.0° |
| C6 | C5 | H4 | 121.1° | 120.0° |
| C4 | C3 | C2 | 121.4° | 120.1° |
| C3 | C4 | H3 | 120.0° | 120.0° |
| C4 | C3 | H11 | 119.3° | 120.0° |
| F | C6 | C7 | 118.8° | 120.0° |
| C6 | C7 | C2 | 119.9° | 120.0° |
| C6 | C7 | H5 | 120.1° | 120.0° |
| C3 | C2 | C7 | 116.8° | 120.0° |
| C3 | C2 | C1 | 118.7° | 120.0° |
| C2 | C3 | H11 | 119.3° | 119.9° |
| C7 | C2 | C1 | 124.3° | 120.0° |
| C2 | C7 | H5 | 120.0° | 120.0° |
| C2 | C1 | N | 125.2° | 109.4° |
| C2 | C1 | H9 | 105.4° | 109.5° |
| C2 | C1 | H10 | 105.4° | 109.5° |
| C1 | N | C | 120.6° | 120.1° |
| C1 | N | S | 124.8° | 120.0° |
| N | C1 | H9 | 105.4° | 109.4° |
| N | C1 | H10 | 105.4° | 109.5° |
| C | N | S | 114.6° | 120.0° |
| N | C | H6 | 109.5° | 109.4° |
| N | C | H7 | 109.4° | 109.5° |
| N | C | H8 | 109.5° | 109.5° |
| N | S | N1 | 102.0° | 107.2° |
| N | S | O | 107.8° | 106.4° |
| N | S | O1 | 107.9° | 106.4° |
| N1 | S | O | 113.8° | 106.4° |
| N1 | S | O1 | 102.0° | 106.4° |
| S | N1 | H1 | 109.5° | 120.0° |
| S | N1 | H2 | 109.5° | 120.0° |
| O | S | O1 | 121.5° | 123.2° |
| H1 | N1 | H2 | 109.5° | 120.0° |
| H6 | C | H7 | 109.5° | 109.5° |
| H6 | C | H8 | 109.4° | 109.4° |
| H7 | C | H8 | 109.5° | 109.5° |
| H9 | C1 | H10 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C4 | C5 | C6 | H4 | 180.0° | 179.9° |
| C5 | C4 | C3 | H3 | 180.0° | 179.7° |
| C4 | C5 | C6 | F | 179.0° | 180.0° |
| C4 | C5 | C6 | C7 | 0.0° | 0.0° |
| C5 | C4 | C3 | C2 | 1.5° | 0.0° |
| C5 | C4 | C3 | H11 | 178.5° | 179.7° |
| C6 | C5 | C4 | C3 | 1.0° | 0.0° |
| C5 | C6 | F | C7 | 179.0° | 180.0° |
| C5 | C6 | C7 | C2 | 0.4° | 0.0° |
| C6 | C5 | C4 | H3 | 179.0° | 179.7° |
| C5 | C6 | C7 | H5 | 179.6° | 179.9° |
| C4 | C3 | C2 | H11 | 180.0° | 179.7° |
| C4 | C3 | C2 | C7 | 1.1° | 0.0° |
| C4 | C3 | C2 | C1 | 174.5° | 180.0° |
| C3 | C4 | C5 | H4 | 179.0° | 180.0° |
| F | C6 | C7 | C2 | 179.4° | 180.0° |
| F | C6 | C5 | H4 | 1.0° | 0.1° |
| F | C6 | C7 | H5 | 0.6° | 0.1° |
| C6 | C7 | C2 | C3 | 0.2° | 0.0° |
| C6 | C7 | C2 | H5 | 180.0° | 179.9° |
| C6 | C7 | C2 | C1 | 175.1° | 180.0° |
| C7 | C6 | C5 | H4 | 180.0° | 180.0° |
| C3 | C2 | C7 | C1 | 175.3° | 180.0° |
| C3 | C2 | C1 | N | 166.3° | 90.1° |
| C2 | C3 | C4 | H3 | 178.5° | 179.7° |
| C3 | C2 | C7 | H5 | 179.8° | 179.9° |
| C3 | C2 | C1 | H9 | 44.2° | 150.0° |
| C3 | C2 | C1 | H10 | 71.6° | 29.9° |
| C7 | C2 | C1 | N | 18.5° | 89.9° |
| C7 | C2 | C1 | H9 | 140.6° | 30.0° |
| C7 | C2 | C1 | H10 | 103.6° | 150.0° |
| C7 | C2 | C3 | H11 | 178.9° | 179.7° |
| C2 | C1 | N | H9 | 122.1° | 120.0° |
| C2 | C1 | N | H10 | 122.1° | 120.0° |
| C2 | C1 | N | C | 78.0° | 85.0° |
| C2 | C1 | N | S | 101.2° | 95.1° |
| C1 | C2 | C7 | H5 | 4.9° | 0.1° |
| C2 | C1 | H9 | H10 | 113.0° | 120.0° |
| C1 | C2 | C3 | H11 | 5.5° | 0.3° |
| C1 | N | C | S | 179.3° | 180.0° |
| C1 | N | S | N1 | 101.0° | 90.0° |
| C1 | N | S | O | 19.1° | 156.4° |
| C1 | N | S | O1 | 152.0° | 23.5° |
| C1 | N | C | H6 | 180.0° | 90.0° |
| C1 | N | C | H7 | 60.0° | 30.0° |
| C1 | N | C | H8 | 60.0° | 150.1° |
| N | C1 | H9 | H10 | 112.9° | 120.0° |
| C | N | S | N1 | 78.2° | 90.0° |
| C | N | S | O | 161.7° | 23.5° |
| C | N | S | O1 | 28.7° | 156.5° |
| N | C | H6 | H7 | 120.0° | 120.0° |
| N | C | H6 | H8 | 120.0° | 120.0° |
| N | C | H7 | H8 | 120.0° | 120.1° |
| C | N | C1 | H9 | 44.1° | 35.0° |
| C | N | C1 | H10 | 159.9° | 155.0° |
| N | S | N1 | O | 115.8° | 113.6° |
| N | S | N1 | O1 | 111.5° | 113.5° |
| N | S | O | O1 | 125.2° | 123.0° |
| N | S | N1 | H1 | 180.0° | 0.1° |
| N | S | N1 | H2 | 60.0° | 179.7° |
| S | N | C | H6 | 0.7° | 90.0° |
| S | N | C | H7 | 119.3° | 150.0° |
| S | N | C | H8 | 120.7° | 30.0° |
| S | N | C1 | H9 | 136.7° | 145.0° |
| S | N | C1 | H10 | 20.9° | 25.0° |
| N1 | S | O | O1 | 122.5° | 122.9° |
| S | N1 | H1 | H2 | 120.0° | 179.6° |
| O | S | N1 | H1 | 64.2° | 113.6° |
| O | S | N1 | H2 | 55.8° | 66.8° |
| O1 | S | N1 | H1 | 68.5° | 113.5° |
| O1 | S | N1 | H2 | 171.5° | 66.2° |
| H3 | C4 | C5 | H4 | 1.0° | 0.4° |
| H3 | C4 | C3 | H11 | 1.5° | 0.0° |
| H6 | C | H7 | H8 | 120.0° | 119.9° |
