RAY
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C8 | C7 | doub | 1.38Å | 1.38Å | Aromatic |
| C8 | C9 | sing | 1.39Å | 1.36Å | Aromatic |
| F | C9 | sing | 1.35Å | 1.36Å | |
| C7 | C6 | sing | 1.38Å | 1.38Å | Aromatic |
| C9 | C10 | doub | 1.38Å | 1.36Å | Aromatic |
| C6 | C5 | doub | 1.39Å | 1.39Å | Aromatic |
| C10 | C5 | sing | 1.39Å | 1.39Å | Aromatic |
| C5 | N | sing | 1.40Å | 1.42Å | |
| N | C4 | sing | 1.35Å | 1.33Å | |
| O2 | C4 | doub | 1.21Å | 1.22Å | |
| C4 | C3 | sing | 1.51Å | 1.51Å | |
| C3 | O1 | sing | 1.43Å | 1.41Å | |
| O1 | C2 | sing | 1.43Å | 1.43Å | |
| O | C | sing | 1.43Å | 1.42Å | |
| O | C1 | sing | 1.43Å | 1.42Å | |
| C2 | C1 | sing | 1.53Å | 1.47Å | |
| C6 | H1 | sing | 1.08Å | 1.08Å | |
| C7 | H2 | sing | 1.08Å | 1.08Å | |
| C8 | H3 | sing | 1.08Å | 1.08Å | |
| C10 | H4 | sing | 1.08Å | 1.08Å | |
| N | H5 | sing | 0.97Å | 1.00Å | |
| C3 | H6 | sing | 1.09Å | 1.10Å | |
| C3 | H7 | sing | 1.09Å | 1.10Å | |
| C2 | H8 | sing | 1.09Å | 1.10Å | |
| C2 | H9 | sing | 1.09Å | 1.10Å | |
| C1 | H10 | sing | 1.09Å | 1.10Å | |
| C1 | 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) |
| C7 | C8 | C9 | 117.9° | 120.1° |
| C8 | C7 | C6 | 120.6° | 120.1° |
| C8 | C7 | H2 | 119.7° | 119.9° |
| C7 | C8 | H3 | 121.0° | 119.9° |
| C8 | C9 | F | 118.7° | 120.0° |
| C8 | C9 | C10 | 123.9° | 120.0° |
| C9 | C8 | H3 | 121.0° | 120.0° |
| F | C9 | C10 | 117.4° | 120.0° |
| C7 | C6 | C5 | 119.7° | 120.0° |
| C7 | C6 | H1 | 120.2° | 120.0° |
| C6 | C7 | H2 | 119.7° | 120.0° |
| C9 | C10 | C5 | 118.0° | 119.9° |
| C9 | C10 | H4 | 121.0° | 120.1° |
| C6 | C5 | C10 | 119.9° | 119.9° |
| C6 | C5 | N | 123.2° | 120.1° |
| C5 | C6 | H1 | 120.1° | 120.0° |
| C10 | C5 | N | 116.8° | 120.0° |
| C5 | C10 | H4 | 121.0° | 120.1° |
| C5 | N | C4 | 126.5° | 120.0° |
| C5 | N | H5 | 116.7° | 120.0° |
| N | C4 | O2 | 123.7° | 120.0° |
| N | C4 | C3 | 116.5° | 120.0° |
| C4 | N | H5 | 116.8° | 120.0° |
| O2 | C4 | C3 | 119.8° | 120.0° |
| C4 | C3 | O1 | 114.0° | 109.5° |
| C4 | C3 | H6 | 108.3° | 109.4° |
| C4 | C3 | H7 | 108.3° | 109.4° |
| C3 | O1 | C2 | 112.9° | 114.0° |
| O1 | C3 | H6 | 108.3° | 109.5° |
| O1 | C3 | H7 | 108.3° | 109.5° |
| O1 | C2 | C1 | 109.6° | 109.5° |
| O1 | C2 | H8 | 109.4° | 109.5° |
| O1 | C2 | H9 | 109.4° | 109.5° |
| C | O | C1 | 112.9° | 114.0° |
| O | C | H12 | 109.5° | 109.4° |
| O | C | H13 | 109.5° | 109.5° |
| O | C | H14 | 109.5° | 109.5° |
| O | C1 | C2 | 106.0° | 109.5° |
| O | C1 | H10 | 110.3° | 109.5° |
| O | C1 | H11 | 110.3° | 109.4° |
| C1 | C2 | H8 | 109.4° | 109.4° |
| C1 | C2 | H9 | 109.4° | 109.4° |
| C2 | C1 | H10 | 110.3° | 109.5° |
| C2 | C1 | H11 | 110.3° | 109.5° |
| H6 | C3 | H7 | 109.5° | 109.5° |
| H8 | C2 | H9 | 109.5° | 109.4° |
| H10 | C1 | H11 | 109.5° | 109.4° |
| H12 | C | H13 | 109.5° | 109.5° |
| H12 | C | H14 | 109.5° | 109.4° |
| H13 | C | H14 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C7 | C8 | C9 | H3 | 180.0° | 180.0° |
| C7 | C8 | C9 | F | 179.6° | 180.0° |
| C8 | C7 | C6 | H2 | 180.0° | 179.9° |
| C7 | C8 | C9 | C10 | 2.1° | 0.3° |
| C8 | C7 | C6 | C5 | 0.2° | 0.0° |
| C8 | C7 | C6 | H1 | 179.8° | 179.9° |
| C8 | C9 | F | C10 | 178.5° | 179.7° |
| C9 | C8 | C7 | C6 | 1.5° | 0.0° |
| C8 | C9 | C10 | C5 | 1.3° | 0.6° |
| C9 | C8 | C7 | H2 | 178.5° | 180.0° |
| C8 | C9 | C10 | H4 | 178.7° | 180.0° |
| F | C9 | C10 | C5 | 179.7° | 179.7° |
| F | C9 | C8 | H3 | 0.4° | 0.0° |
| F | C9 | C10 | H4 | 0.3° | 0.3° |
| C7 | C6 | C5 | H1 | 180.0° | 180.0° |
| C7 | C6 | C5 | C10 | 0.6° | 0.3° |
| C7 | C6 | C5 | N | 179.0° | 180.0° |
| C6 | C7 | C8 | H3 | 178.5° | 180.0° |
| C9 | C10 | C5 | C6 | 0.1° | 0.6° |
| C9 | C10 | C5 | H4 | 180.0° | 179.5° |
| C9 | C10 | C5 | N | 178.6° | 179.7° |
| C10 | C9 | C8 | H3 | 177.9° | 179.7° |
| C6 | C5 | C10 | N | 178.5° | 179.7° |
| C6 | C5 | N | C4 | 20.4° | 35.1° |
| C5 | C6 | C7 | H2 | 179.8° | 179.9° |
| C6 | C5 | C10 | H4 | 179.9° | 180.0° |
| C6 | C5 | N | H5 | 159.6° | 144.9° |
| C10 | C5 | N | C4 | 161.2° | 145.2° |
| C10 | C5 | C6 | H1 | 179.4° | 179.8° |
| C10 | C5 | N | H5 | 18.9° | 34.8° |
| C5 | N | C4 | H5 | 180.0° | 179.9° |
| C5 | N | C4 | O2 | 3.2° | 4.3° |
| C5 | N | C4 | C3 | 176.0° | 175.4° |
| N | C5 | C6 | H1 | 1.0° | 0.1° |
| N | C5 | C10 | H4 | 1.4° | 0.3° |
| N | C4 | O2 | C3 | 179.2° | 179.7° |
| N | C4 | C3 | O1 | 2.0° | 180.0° |
| N | C4 | C3 | H6 | 118.6° | 59.9° |
| N | C4 | C3 | H7 | 122.7° | 60.0° |
| O2 | C4 | C3 | O1 | 177.2° | 0.3° |
| O2 | C4 | N | H5 | 176.8° | 175.6° |
| O2 | C4 | C3 | H6 | 62.2° | 119.7° |
| O2 | C4 | C3 | H7 | 56.5° | 120.3° |
| C4 | C3 | O1 | H6 | 120.6° | 120.0° |
| C4 | C3 | O1 | H7 | 120.7° | 120.0° |
| C4 | C3 | O1 | C2 | 160.9° | 180.0° |
| C3 | C4 | N | H5 | 4.1° | 4.7° |
| C4 | C3 | H6 | H7 | 117.9° | 119.9° |
| C3 | O1 | C2 | C1 | 166.8° | 180.0° |
| O1 | C3 | H6 | H7 | 117.9° | 120.0° |
| C3 | O1 | C2 | H8 | 46.8° | 60.0° |
| C3 | O1 | C2 | H9 | 73.2° | 60.0° |
| O1 | C2 | C1 | O | 66.6° | 65.0° |
| O1 | C2 | C1 | H8 | 120.0° | 120.0° |
| O1 | C2 | C1 | H9 | 120.0° | 120.1° |
| C2 | O1 | C3 | H6 | 78.4° | 60.0° |
| C2 | O1 | C3 | H7 | 40.3° | 60.0° |
| O1 | C2 | H8 | H9 | 119.9° | 120.0° |
| O1 | C2 | C1 | H10 | 173.9° | 175.0° |
| O1 | C2 | C1 | H11 | 52.8° | 55.0° |
| C | O | C1 | C2 | 179.8° | 180.0° |
| C | O | C1 | H10 | 60.3° | 60.0° |
| C | O | C1 | H11 | 60.8° | 60.0° |
| O | C | H12 | H13 | 120.0° | 120.0° |
| O | C | H12 | H14 | 120.0° | 120.0° |
| O | C | H13 | H14 | 120.0° | 120.0° |
| O | C1 | C2 | H10 | 119.4° | 120.0° |
| O | C1 | C2 | H11 | 119.5° | 120.0° |
| O | C1 | C2 | H8 | 173.3° | 55.0° |
| O | C1 | C2 | H9 | 53.4° | 174.9° |
| O | C1 | H10 | H11 | 121.6° | 119.9° |
| C1 | O | C | H12 | 180.0° | 180.0° |
| C1 | O | C | H13 | 60.0° | 60.0° |
| C1 | O | C | H14 | 60.0° | 60.0° |
| C1 | C2 | H8 | H9 | 119.9° | 119.9° |
| C2 | C1 | H10 | H11 | 121.6° | 120.0° |
| H1 | C6 | C7 | H2 | 0.2° | 0.0° |
| H2 | C7 | C8 | H3 | 1.5° | 0.1° |
| H8 | C2 | C1 | H10 | 53.9° | 65.0° |
| H8 | C2 | C1 | H11 | 67.2° | 175.0° |
| H9 | C2 | C1 | H10 | 66.0° | 54.9° |
| H9 | C2 | C1 | H11 | 172.9° | 65.1° |
| H12 | C | H13 | H14 | 120.0° | 120.0° |
