RXG
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C7 | C8 | sing | 1.41Å | 1.55Å | Aromatic |
| C7 | C6 | doub | 1.35Å | 1.55Å | Aromatic |
| C8 | C9 | doub | 1.35Å | 1.51Å | Aromatic |
| C6 | N | sing | 1.37Å | 1.43Å | Aromatic |
| C9 | N | sing | 1.37Å | 1.45Å | Aromatic |
| N | C5 | sing | 1.35Å | 1.29Å | |
| C5 | C4 | sing | 1.51Å | 1.46Å | |
| C5 | O1 | doub | 1.21Å | 1.22Å | |
| C4 | O | sing | 1.43Å | 1.41Å | |
| O | C3 | sing | 1.36Å | 1.36Å | |
| C3 | C10 | doub | 1.39Å | 1.41Å | Aromatic |
| C3 | C2 | sing | 1.39Å | 1.36Å | Aromatic |
| C10 | C11 | sing | 1.38Å | 1.40Å | Aromatic |
| C2 | C1 | doub | 1.38Å | 1.34Å | Aromatic |
| C11 | C | doub | 1.39Å | 1.35Å | Aromatic |
| C1 | C | sing | 1.38Å | 1.38Å | Aromatic |
| C | F | sing | 1.35Å | 1.25Å | |
| C4 | H1 | sing | 1.09Å | 1.10Å | |
| C4 | H2 | sing | 1.09Å | 1.10Å | |
| C6 | H3 | sing | 1.08Å | 1.08Å | |
| C7 | H4 | sing | 1.08Å | 1.08Å | |
| C8 | H5 | sing | 1.08Å | 1.08Å | |
| C10 | H6 | sing | 1.08Å | 1.08Å | |
| C9 | H7 | sing | 1.08Å | 1.08Å | |
| C2 | H8 | sing | 1.08Å | 1.08Å | |
| C1 | H9 | sing | 1.08Å | 1.08Å | |
| C11 | H10 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C8 | C7 | C6 | 108.0° | 107.6° |
| C7 | C8 | C9 | 106.4° | 107.6° |
| C8 | C7 | H4 | 126.0° | 126.2° |
| C7 | C8 | H5 | 126.8° | 126.2° |
| C7 | C6 | N | 103.5° | 108.1° |
| C7 | C6 | H3 | 128.3° | 125.9° |
| C6 | C7 | H4 | 126.0° | 126.2° |
| C8 | C9 | N | 105.6° | 108.1° |
| C9 | C8 | H5 | 126.8° | 126.2° |
| C8 | C9 | H7 | 127.2° | 126.0° |
| C6 | N | C9 | 116.5° | 108.5° |
| C6 | N | C5 | 122.1° | 125.7° |
| N | C6 | H3 | 128.3° | 125.9° |
| C9 | N | C5 | 121.4° | 125.7° |
| N | C9 | H7 | 127.2° | 125.9° |
| N | C5 | C4 | 119.3° | 120.0° |
| N | C5 | O1 | 119.8° | 120.0° |
| C4 | C5 | O1 | 121.0° | 120.0° |
| C5 | C4 | O | 97.5° | 109.5° |
| C5 | C4 | H1 | 112.4° | 109.5° |
| C5 | C4 | H2 | 112.4° | 109.4° |
| C4 | O | C3 | 105.6° | 117.0° |
| O | C4 | H1 | 112.4° | 109.5° |
| O | C4 | H2 | 112.4° | 109.5° |
| O | C3 | C10 | 120.1° | 120.0° |
| O | C3 | C2 | 116.5° | 120.0° |
| C10 | C3 | C2 | 123.3° | 119.9° |
| C3 | C10 | C11 | 117.8° | 120.0° |
| C3 | C10 | H6 | 121.1° | 120.0° |
| C3 | C2 | C1 | 117.7° | 120.0° |
| C3 | C2 | H8 | 121.1° | 120.0° |
| C10 | C11 | C | 116.9° | 120.0° |
| C11 | C10 | H6 | 121.1° | 120.0° |
| C10 | C11 | H10 | 121.5° | 120.0° |
| C2 | C1 | C | 119.9° | 120.0° |
| C1 | C2 | H8 | 121.2° | 120.0° |
| C2 | C1 | H9 | 120.0° | 120.0° |
| C11 | C | C1 | 124.3° | 120.1° |
| C11 | C | F | 118.2° | 120.0° |
| C | C11 | H10 | 121.5° | 120.0° |
| C1 | C | F | 117.3° | 120.0° |
| C | C1 | H9 | 120.1° | 120.0° |
| H1 | C4 | H2 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C8 | C7 | C6 | H4 | 180.0° | 180.0° |
| C7 | C8 | C9 | H5 | 180.0° | 180.0° |
| C8 | C7 | C6 | N | 1.6° | 0.0° |
| C7 | C8 | C9 | N | 0.1° | 0.0° |
| C8 | C7 | C6 | H3 | 178.4° | 179.7° |
| C7 | C8 | C9 | H7 | 179.8° | 179.9° |
| C6 | C7 | C8 | C9 | 1.1° | 0.0° |
| C7 | C6 | N | H3 | 180.0° | 179.7° |
| C7 | C6 | N | C9 | 1.6° | 0.0° |
| C7 | C6 | N | C5 | 178.2° | 179.7° |
| C6 | C7 | C8 | H5 | 178.9° | 180.0° |
| C8 | C9 | N | C6 | 1.0° | 0.0° |
| C8 | C9 | N | H7 | 180.0° | 179.9° |
| C8 | C9 | N | C5 | 178.9° | 179.7° |
| C9 | C8 | C7 | H4 | 178.9° | 180.0° |
| C6 | N | C9 | C5 | 179.9° | 179.7° |
| C6 | N | C5 | C4 | 1.0° | 180.0° |
| C6 | N | C5 | O1 | 178.4° | 0.1° |
| N | C6 | C7 | H4 | 178.4° | 180.0° |
| C6 | N | C9 | H7 | 179.0° | 179.9° |
| C9 | N | C5 | C4 | 179.2° | 0.4° |
| C9 | N | C5 | O1 | 1.4° | 179.7° |
| C9 | N | C6 | H3 | 178.4° | 179.7° |
| N | C9 | C8 | H5 | 179.9° | 180.0° |
| N | C5 | C4 | O1 | 179.4° | 179.9° |
| N | C5 | C4 | O | 168.4° | 180.0° |
| N | C5 | C4 | H1 | 50.4° | 60.0° |
| N | C5 | C4 | H2 | 73.6° | 60.0° |
| C5 | N | C6 | H3 | 1.8° | 0.0° |
| C5 | N | C9 | H7 | 1.1° | 0.3° |
| C5 | C4 | O | H1 | 118.0° | 120.0° |
| C5 | C4 | O | H2 | 118.0° | 120.0° |
| C5 | C4 | O | C3 | 123.2° | 180.0° |
| C5 | C4 | H1 | H2 | 125.6° | 120.0° |
| O1 | C5 | C4 | O | 12.2° | 0.1° |
| O1 | C5 | C4 | H1 | 130.2° | 120.0° |
| O1 | C5 | C4 | H2 | 105.8° | 120.1° |
| C4 | O | C3 | C10 | 44.0° | 180.0° |
| C4 | O | C3 | C2 | 132.3° | 0.0° |
| O | C4 | H1 | H2 | 125.6° | 120.0° |
| O | C3 | C10 | C2 | 176.0° | 180.0° |
| O | C3 | C10 | C11 | 174.9° | 180.0° |
| O | C3 | C2 | C1 | 175.1° | 180.0° |
| C3 | O | C4 | H1 | 5.2° | 60.0° |
| C3 | O | C4 | H2 | 118.8° | 60.0° |
| O | C3 | C10 | H6 | 5.1° | 0.2° |
| O | C3 | C2 | H8 | 4.9° | 0.0° |
| C3 | C10 | C11 | H6 | 180.0° | 179.8° |
| C10 | C3 | C2 | C1 | 1.1° | 0.0° |
| C3 | C10 | C11 | C | 0.2° | 0.0° |
| C10 | C3 | C2 | H8 | 178.9° | 180.0° |
| C3 | C10 | C11 | H10 | 179.7° | 179.7° |
| C2 | C3 | C10 | C11 | 1.1° | 0.0° |
| C3 | C2 | C1 | H8 | 180.0° | 179.9° |
| C3 | C2 | C1 | C | 0.1° | 0.0° |
| C2 | C3 | C10 | H6 | 178.8° | 179.8° |
| C3 | C2 | C1 | H9 | 179.9° | 180.0° |
| C10 | C11 | C | H10 | 180.0° | 179.7° |
| C10 | C11 | C | C1 | 0.7° | 0.0° |
| C10 | C11 | C | F | 174.8° | 180.0° |
| C2 | C1 | C | C11 | 0.8° | 0.0° |
| C2 | C1 | C | H9 | 180.0° | 179.9° |
| C2 | C1 | C | F | 174.8° | 180.0° |
| C11 | C | C1 | F | 175.5° | 180.0° |
| C | C11 | C10 | H6 | 179.7° | 179.7° |
| C11 | C | C1 | H9 | 179.3° | 179.9° |
| C | C1 | C2 | H8 | 179.9° | 180.0° |
| C1 | C | C11 | H10 | 179.3° | 179.7° |
| F | C | C1 | H9 | 5.2° | 0.0° |
| F | C | C11 | H10 | 5.2° | 0.3° |
| H3 | C6 | C7 | H4 | 1.6° | 0.3° |
| H4 | C7 | C8 | H5 | 1.1° | 0.0° |
| H5 | C8 | C9 | H7 | 0.2° | 0.1° |
| H6 | C10 | C11 | H10 | 0.3° | 0.1° |
| H8 | C2 | C1 | H9 | 0.1° | 0.1° |
