8WP
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.51Å | 1.59Å | |
| C1 | C | sing | 1.51Å | 1.52Å | |
| N | C | sing | 1.35Å | 1.31Å | |
| C2 | N3 | sing | 1.38Å | 1.38Å | |
| C2 | C3 | doub | 1.33Å | 1.34Å | |
| N3 | C7 | sing | 1.35Å | 1.38Å | |
| C | O | doub | 1.21Å | 1.24Å | |
| C3 | N1 | sing | 1.39Å | 1.37Å | |
| C7 | O1 | doub | 1.22Å | 1.20Å | |
| C7 | C6 | sing | 1.46Å | 1.46Å | |
| N1 | C6 | sing | 1.37Å | 1.36Å | Aromatic |
| N1 | N2 | sing | 1.29Å | 1.37Å | Aromatic |
| C6 | C5 | doub | 1.38Å | 1.39Å | Aromatic |
| N2 | C4 | doub | 1.31Å | 1.34Å | Aromatic |
| C5 | C4 | sing | 1.39Å | 1.41Å | Aromatic |
| F2 | C8 | sing | 1.40Å | 1.33Å | |
| C4 | C8 | sing | 1.51Å | 1.49Å | |
| C8 | F1 | sing | 1.40Å | 1.29Å | |
| C8 | F | sing | 1.40Å | 1.33Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| N3 | H6 | sing | 0.97Å | 1.00Å | |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| N | H1 | sing | 0.97Å | 1.00Å | |
| N | H | sing | 0.97Å | 1.00Å | |
| C3 | H4 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C | 108.6° | 109.5° |
| C1 | C2 | N3 | 116.2° | 119.0° |
| C1 | C2 | C3 | 123.4° | 119.0° |
| C2 | C1 | H3 | 109.7° | 109.5° |
| C2 | C1 | H2 | 109.7° | 109.4° |
| C1 | C | N | 116.6° | 120.0° |
| C1 | C | O | 120.4° | 120.0° |
| C | C1 | H3 | 109.7° | 109.5° |
| C | C1 | H2 | 109.7° | 109.5° |
| N | C | O | 123.0° | 120.0° |
| C | N | H1 | 120.0° | 120.0° |
| C | N | H | 120.0° | 120.0° |
| N3 | C2 | C3 | 120.4° | 122.1° |
| C2 | N3 | C7 | 124.8° | 119.9° |
| C2 | N3 | H6 | 117.6° | 120.1° |
| C2 | C3 | N1 | 118.4° | 121.3° |
| C2 | C3 | H4 | 120.8° | 119.4° |
| N3 | C7 | O1 | 121.8° | 120.7° |
| N3 | C7 | C6 | 113.2° | 118.5° |
| C7 | N3 | H6 | 117.6° | 120.0° |
| C3 | N1 | C6 | 123.3° | 119.0° |
| C3 | N1 | N2 | 124.1° | 132.1° |
| N1 | C3 | H4 | 120.8° | 119.3° |
| O1 | C7 | C6 | 123.9° | 120.8° |
| C7 | C6 | N1 | 119.9° | 119.3° |
| C7 | C6 | C5 | 133.1° | 133.9° |
| C6 | N1 | N2 | 112.5° | 108.9° |
| N1 | C6 | C5 | 106.7° | 106.8° |
| N1 | N2 | C4 | 103.5° | 111.2° |
| C6 | C5 | C4 | 104.3° | 105.2° |
| C6 | C5 | H5 | 127.8° | 127.4° |
| N2 | C4 | C5 | 113.0° | 108.0° |
| N2 | C4 | C8 | 118.0° | 126.0° |
| C5 | C4 | C8 | 129.0° | 126.0° |
| C4 | C5 | H5 | 127.9° | 127.4° |
| F2 | C8 | C4 | 111.6° | 109.5° |
| F2 | C8 | F1 | 106.1° | 109.5° |
| F2 | C8 | F | 109.6° | 109.5° |
| C4 | C8 | F1 | 113.1° | 109.4° |
| C4 | C8 | F | 111.8° | 109.5° |
| F1 | C8 | F | 104.2° | 109.5° |
| H3 | C1 | H2 | 109.5° | 109.5° |
| H1 | N | H | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C | H3 | 119.9° | 120.0° |
| C2 | C1 | C | H2 | 119.9° | 119.9° |
| C2 | C1 | C | N | 156.2° | 180.0° |
| C1 | C2 | N3 | C3 | 179.1° | 180.0° |
| C1 | C2 | N3 | C7 | 178.9° | 179.9° |
| C2 | C1 | C | O | 24.3° | 0.0° |
| C1 | C2 | C3 | N1 | 179.2° | 179.9° |
| C2 | C1 | H3 | H2 | 120.4° | 119.9° |
| C1 | C2 | N3 | H6 | 1.1° | 0.0° |
| C1 | C2 | C3 | H4 | 0.8° | 0.0° |
| C1 | C | N | O | 179.5° | 179.9° |
| C | C1 | C2 | N3 | 70.8° | 85.0° |
| C | C1 | C2 | C3 | 108.3° | 95.0° |
| C | C1 | H3 | H2 | 120.4° | 120.0° |
| C1 | C | N | H1 | 179.6° | 0.1° |
| C1 | C | N | H | 0.5° | 180.0° |
| N | C | C1 | H3 | 84.0° | 59.9° |
| N | C | C1 | H2 | 36.3° | 60.1° |
| C | N | H1 | H | 179.9° | 180.0° |
| C2 | N3 | C7 | H6 | 180.0° | 180.0° |
| N3 | C2 | C3 | N1 | 0.2° | 0.1° |
| C2 | N3 | C7 | O1 | 168.1° | 180.0° |
| C2 | N3 | C7 | C6 | 0.0° | 0.0° |
| N3 | C2 | C1 | H3 | 169.4° | 154.9° |
| N3 | C2 | C1 | H2 | 49.1° | 35.0° |
| N3 | C2 | C3 | H4 | 179.8° | 180.0° |
| C3 | C2 | N3 | C7 | 0.2° | 0.0° |
| C2 | C3 | N1 | H4 | 180.0° | 180.0° |
| C2 | C3 | N1 | C6 | 0.7° | 0.1° |
| C2 | C3 | N1 | N2 | 175.7° | 179.9° |
| C3 | C2 | C1 | H3 | 11.6° | 25.1° |
| C3 | C2 | C1 | H2 | 131.8° | 145.0° |
| C3 | C2 | N3 | H6 | 179.8° | 180.0° |
| N3 | C7 | O1 | C6 | 166.8° | 180.0° |
| N3 | C7 | C6 | N1 | 0.4° | 0.0° |
| N3 | C7 | C6 | C5 | 174.9° | 180.0° |
| O | C | C1 | H3 | 95.6° | 120.0° |
| O | C | C1 | H2 | 144.2° | 120.0° |
| O | C | N | H1 | 0.0° | 180.0° |
| O | C | N | H | 180.0° | 0.0° |
| C3 | N1 | C6 | C7 | 0.8° | 0.0° |
| C3 | N1 | C6 | N2 | 176.8° | 180.0° |
| C3 | N1 | C6 | C5 | 176.6° | 180.0° |
| C3 | N1 | N2 | C4 | 176.4° | 180.0° |
| O1 | C7 | C6 | N1 | 168.3° | 180.0° |
| O1 | C7 | C6 | C5 | 17.3° | 0.1° |
| O1 | C7 | N3 | H6 | 11.9° | 0.0° |
| C7 | C6 | N1 | C5 | 175.8° | 180.0° |
| C7 | C6 | N1 | N2 | 175.9° | 179.9° |
| C7 | C6 | C5 | C4 | 174.9° | 180.0° |
| C6 | C7 | N3 | H6 | 180.0° | 180.0° |
| C7 | C6 | C5 | H5 | 5.1° | 0.1° |
| C6 | N1 | N2 | C4 | 0.3° | 0.0° |
| N1 | C6 | C5 | C4 | 0.1° | 0.0° |
| N1 | C6 | C5 | H5 | 179.9° | 180.0° |
| C6 | N1 | C3 | H4 | 179.3° | 180.0° |
| N2 | N1 | C6 | C5 | 0.1° | 0.0° |
| N1 | N2 | C4 | C5 | 0.4° | 0.0° |
| N1 | N2 | C4 | C8 | 179.8° | 180.0° |
| N2 | N1 | C3 | H4 | 4.3° | 0.1° |
| C6 | C5 | C4 | N2 | 0.3° | 0.0° |
| C6 | C5 | C4 | H5 | 180.0° | 180.0° |
| C6 | C5 | C4 | C8 | 179.9° | 180.0° |
| N2 | C4 | C5 | C8 | 179.8° | 179.9° |
| N2 | C4 | C8 | F2 | 50.2° | 125.0° |
| N2 | C4 | C8 | F1 | 169.7° | 5.1° |
| N2 | C4 | C8 | F | 73.0° | 114.9° |
| N2 | C4 | C5 | H5 | 179.7° | 180.0° |
| C5 | C4 | C8 | F2 | 130.0° | 55.0° |
| C5 | C4 | C8 | F1 | 10.5° | 175.0° |
| C5 | C4 | C8 | F | 106.8° | 65.0° |
| F2 | C8 | C4 | F1 | 119.5° | 120.0° |
| F2 | C8 | C4 | F | 123.2° | 120.0° |
| F2 | C8 | F1 | F | 115.7° | 120.0° |
| C4 | C8 | F1 | F | 121.7° | 120.0° |
| C8 | C4 | C5 | H5 | 0.1° | 0.1° |
