WRY
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| F | C4 | sing | 1.35Å | 1.36Å | |
| C3 | C4 | doub | 1.36Å | 1.35Å | Aromatic |
| C3 | C2 | sing | 1.40Å | 1.41Å | Aromatic |
| C4 | C5 | sing | 1.40Å | 1.36Å | Aromatic |
| N | C2 | doub | 1.34Å | 1.37Å | Aromatic |
| N | C1 | sing | 1.31Å | 1.32Å | Aromatic |
| C2 | C7 | sing | 1.42Å | 1.40Å | Aromatic |
| C5 | C6 | doub | 1.36Å | 1.36Å | Aromatic |
| C | C1 | sing | 1.51Å | 1.50Å | |
| C1 | C9 | doub | 1.40Å | 1.43Å | Aromatic |
| C7 | C6 | sing | 1.41Å | 1.41Å | Aromatic |
| C7 | C8 | doub | 1.40Å | 1.40Å | Aromatic |
| C9 | C8 | sing | 1.39Å | 1.37Å | Aromatic |
| C9 | C10 | sing | 1.48Å | 1.50Å | |
| O | C10 | doub | 1.22Å | 1.23Å | |
| C10 | N1 | sing | 1.35Å | 1.33Å | |
| N1 | C11 | sing | 1.47Å | 1.45Å | |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| C5 | H2 | sing | 1.08Å | 1.08Å | |
| C6 | H3 | sing | 1.08Å | 1.08Å | |
| C8 | H4 | sing | 1.08Å | 1.08Å | |
| C11 | H5 | sing | 1.09Å | 1.10Å | |
| C11 | H6 | sing | 1.09Å | 1.10Å | |
| C11 | H7 | sing | 1.09Å | 1.10Å | |
| C | H8 | sing | 1.09Å | 1.10Å | |
| C | H9 | sing | 1.09Å | 1.10Å | |
| C | 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) |
| F | C4 | C3 | 118.1° | 119.5° |
| F | C4 | C5 | 118.2° | 119.5° |
| C4 | C3 | C2 | 118.7° | 119.8° |
| C3 | C4 | C5 | 123.3° | 121.0° |
| C4 | C3 | H11 | 120.6° | 120.1° |
| C3 | C2 | N | 118.5° | 120.8° |
| C3 | C2 | C7 | 119.0° | 119.0° |
| C2 | C3 | H11 | 120.7° | 120.1° |
| C4 | C5 | C6 | 119.1° | 120.8° |
| C4 | C5 | H2 | 120.4° | 119.6° |
| C2 | N | C1 | 119.0° | 121.8° |
| N | C2 | C7 | 122.2° | 120.1° |
| N | C1 | C | 115.1° | 119.2° |
| N | C1 | C9 | 121.7° | 121.5° |
| C2 | C7 | C6 | 118.8° | 119.7° |
| C2 | C7 | C8 | 117.8° | 119.1° |
| C5 | C6 | C7 | 120.9° | 119.6° |
| C6 | C5 | H2 | 120.5° | 119.6° |
| C5 | C6 | H3 | 119.6° | 120.2° |
| C | C1 | C9 | 123.1° | 119.3° |
| C1 | C | H8 | 109.5° | 109.5° |
| C1 | C | H9 | 109.5° | 109.5° |
| C1 | C | H10 | 109.5° | 109.5° |
| C1 | C9 | C8 | 119.0° | 119.5° |
| C1 | C9 | C10 | 122.4° | 120.2° |
| C6 | C7 | C8 | 123.3° | 121.2° |
| C7 | C6 | H3 | 119.6° | 120.2° |
| C7 | C8 | C9 | 120.0° | 118.0° |
| C7 | C8 | H4 | 120.0° | 121.0° |
| C8 | C9 | C10 | 117.1° | 120.3° |
| C9 | C8 | H4 | 120.0° | 121.0° |
| C9 | C10 | O | 121.4° | 120.0° |
| C9 | C10 | N1 | 116.3° | 120.0° |
| O | C10 | N1 | 122.3° | 120.0° |
| C10 | N1 | C11 | 122.1° | 120.0° |
| C10 | N1 | H1 | 119.0° | 120.0° |
| C11 | N1 | H1 | 118.9° | 120.0° |
| N1 | C11 | H5 | 109.5° | 109.5° |
| N1 | C11 | H6 | 109.4° | 109.4° |
| N1 | C11 | H7 | 109.5° | 109.4° |
| H5 | C11 | H6 | 109.5° | 109.5° |
| H5 | C11 | H7 | 109.5° | 109.5° |
| H6 | C11 | H7 | 109.5° | 109.5° |
| H8 | C | H9 | 109.5° | 109.4° |
| H8 | C | H10 | 109.4° | 109.5° |
| H9 | C | H10 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F | C4 | C3 | C5 | 172.5° | 179.7° |
| F | C4 | C3 | C2 | 167.0° | 179.8° |
| F | C4 | C5 | C6 | 169.6° | 180.0° |
| F | C4 | C5 | H2 | 10.4° | 0.0° |
| F | C4 | C3 | H11 | 13.0° | 0.3° |
| C4 | C3 | C2 | H11 | 180.0° | 179.5° |
| C4 | C3 | C2 | N | 169.9° | 179.7° |
| C4 | C3 | C2 | C7 | 4.3° | 0.5° |
| C3 | C4 | C5 | C6 | 2.9° | 0.3° |
| C3 | C4 | C5 | H2 | 177.1° | 179.7° |
| C2 | C3 | C4 | C5 | 5.5° | 0.5° |
| C3 | C2 | N | C7 | 174.0° | 179.8° |
| C3 | C2 | N | C1 | 173.7° | 179.8° |
| C3 | C2 | C7 | C6 | 0.8° | 0.2° |
| C3 | C2 | C7 | C8 | 176.4° | 179.8° |
| C4 | C5 | C6 | H2 | 180.0° | 180.0° |
| C4 | C5 | C6 | C7 | 0.9° | 0.0° |
| C4 | C5 | C6 | H3 | 179.1° | 180.0° |
| C5 | C4 | C3 | H11 | 174.5° | 180.0° |
| C2 | N | C1 | C | 177.9° | 180.0° |
| C2 | N | C1 | C9 | 4.8° | 0.0° |
| N | C2 | C7 | C6 | 173.2° | 180.0° |
| N | C2 | C7 | C8 | 2.4° | 0.0° |
| N | C2 | C3 | H11 | 10.0° | 0.2° |
| C1 | N | C2 | C7 | 0.3° | 0.0° |
| N | C1 | C | C9 | 177.3° | 180.0° |
| N | C1 | C9 | C8 | 6.5° | 0.0° |
| N | C1 | C9 | C10 | 172.1° | 180.0° |
| N | C1 | C | H8 | 0.0° | 96.6° |
| N | C1 | C | H9 | 120.0° | 23.3° |
| N | C1 | C | H10 | 120.0° | 143.3° |
| C2 | C7 | C6 | C5 | 1.8° | 0.0° |
| C2 | C7 | C6 | C8 | 175.4° | 180.0° |
| C2 | C7 | C8 | C9 | 0.7° | 0.0° |
| C2 | C7 | C6 | H3 | 178.2° | 180.0° |
| C2 | C7 | C8 | H4 | 179.3° | 180.0° |
| C7 | C2 | C3 | H11 | 175.7° | 180.0° |
| C5 | C6 | C7 | H3 | 180.0° | 180.0° |
| C5 | C6 | C7 | C8 | 173.6° | 180.0° |
| C | C1 | C9 | C8 | 176.4° | 180.0° |
| C | C1 | C9 | C10 | 10.7° | 0.0° |
| C1 | C | H8 | H9 | 120.0° | 120.0° |
| C1 | C | H8 | H10 | 120.0° | 120.0° |
| C1 | C | H9 | H10 | 120.0° | 120.0° |
| C1 | C9 | C8 | C7 | 3.5° | 0.0° |
| C1 | C9 | C8 | C10 | 166.4° | 180.0° |
| C1 | C9 | C10 | O | 38.1° | 6.3° |
| C1 | C9 | C10 | N1 | 143.4° | 173.7° |
| C1 | C9 | C8 | H4 | 176.5° | 180.0° |
| C9 | C1 | C | H8 | 177.3° | 83.4° |
| C9 | C1 | C | H9 | 57.3° | 156.7° |
| C9 | C1 | C | H10 | 62.7° | 36.7° |
| C6 | C7 | C8 | C9 | 174.8° | 180.0° |
| C7 | C6 | C5 | H2 | 179.1° | 180.0° |
| C6 | C7 | C8 | H4 | 5.2° | 0.0° |
| C7 | C8 | C9 | H4 | 180.0° | 180.0° |
| C7 | C8 | C9 | C10 | 169.9° | 180.0° |
| C8 | C7 | C6 | H3 | 6.4° | 0.0° |
| C8 | C9 | C10 | O | 127.8° | 173.7° |
| C8 | C9 | C10 | N1 | 50.7° | 6.3° |
| C9 | C10 | O | N1 | 178.4° | 180.0° |
| C9 | C10 | N1 | C11 | 179.3° | 180.0° |
| C9 | C10 | N1 | H1 | 0.7° | 0.2° |
| C10 | C9 | C8 | H4 | 10.1° | 0.0° |
| O | C10 | N1 | C11 | 0.9° | 0.0° |
| O | C10 | N1 | H1 | 179.1° | 179.8° |
| C10 | N1 | C11 | H1 | 180.0° | 179.8° |
| C10 | N1 | C11 | H5 | 180.0° | 179.8° |
| C10 | N1 | C11 | H6 | 60.0° | 60.3° |
| C10 | N1 | C11 | H7 | 60.0° | 59.7° |
| N1 | C11 | H5 | H6 | 120.0° | 119.9° |
| N1 | C11 | H5 | H7 | 120.0° | 120.0° |
| N1 | C11 | H6 | H7 | 120.0° | 119.9° |
| H1 | N1 | C11 | H5 | 0.0° | 0.0° |
| H1 | N1 | C11 | H6 | 120.0° | 119.9° |
| H1 | N1 | C11 | H7 | 120.0° | 120.1° |
| H2 | C5 | C6 | H3 | 0.9° | 0.0° |
| H5 | C11 | H6 | H7 | 120.0° | 120.1° |
| H8 | C | H9 | H10 | 119.9° | 120.0° |
