GRQ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C4 | C5 | sing | 1.51Å | 1.50Å | |
| C4 | C3 | sing | 1.53Å | 1.53Å | |
| C6 | C5 | doub | 1.33Å | 1.34Å | |
| C6 | C7 | sing | 1.46Å | 1.43Å | |
| C5 | C8 | sing | 1.51Å | 1.50Å | |
| C7 | O | doub | 1.21Å | 1.20Å | |
| C2 | C3 | sing | 1.51Å | 1.49Å | |
| C2 | C1 | doub | 1.31Å | 1.31Å | |
| C | C1 | sing | 1.51Å | 1.50Å | |
| C1 | C9 | sing | 1.51Å | 1.50Å | |
| C2 | H1 | sing | 1.08Å | 1.08Å | |
| C3 | H2 | sing | 1.09Å | 1.10Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C4 | H5 | sing | 1.09Å | 1.10Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C7 | H7 | sing | 1.08Å | 1.08Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| C8 | H9 | sing | 1.09Å | 1.10Å | |
| C8 | H10 | sing | 1.09Å | 1.10Å | |
| C9 | H11 | sing | 1.09Å | 1.10Å | |
| C9 | H12 | sing | 1.09Å | 1.10Å | |
| C9 | H13 | sing | 1.09Å | 1.10Å | |
| C | H14 | sing | 1.09Å | 1.10Å | |
| C | H15 | sing | 1.09Å | 1.10Å | |
| C | H16 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C5 | C4 | C3 | 108.7° | 109.5° |
| C4 | C5 | C6 | 119.2° | 120.0° |
| C4 | C5 | C8 | 115.1° | 120.0° |
| C5 | C4 | H4 | 109.7° | 109.4° |
| C5 | C4 | H5 | 109.7° | 109.4° |
| C4 | C3 | C2 | 114.2° | 109.4° |
| C4 | C3 | H2 | 108.3° | 109.5° |
| C4 | C3 | H3 | 108.3° | 109.5° |
| C3 | C4 | H4 | 109.7° | 109.5° |
| C3 | C4 | H5 | 109.7° | 109.4° |
| C5 | C6 | C7 | 130.4° | 120.0° |
| C6 | C5 | C8 | 125.5° | 120.0° |
| C5 | C6 | H6 | 114.8° | 120.0° |
| C6 | C7 | O | 123.9° | 120.0° |
| C7 | C6 | H6 | 114.8° | 120.0° |
| C6 | C7 | H7 | 118.1° | 119.9° |
| C5 | C8 | H8 | 109.5° | 109.5° |
| C5 | C8 | H9 | 109.5° | 109.4° |
| C5 | C8 | H10 | 109.4° | 109.4° |
| O | C7 | H7 | 118.0° | 120.1° |
| C3 | C2 | C1 | 124.4° | 120.0° |
| C3 | C2 | H1 | 117.8° | 120.0° |
| C2 | C3 | H2 | 108.3° | 109.5° |
| C2 | C3 | H3 | 108.3° | 109.5° |
| C2 | C1 | C | 124.0° | 120.0° |
| C2 | C1 | C9 | 121.0° | 120.0° |
| C1 | C2 | H1 | 117.8° | 120.0° |
| C | C1 | C9 | 115.0° | 120.0° |
| C1 | C | H14 | 109.5° | 109.4° |
| C1 | C | H15 | 109.5° | 109.5° |
| C1 | C | H16 | 109.5° | 109.5° |
| C1 | C9 | H11 | 109.5° | 109.5° |
| C1 | C9 | H12 | 109.5° | 109.5° |
| C1 | C9 | H13 | 109.5° | 109.5° |
| H2 | C3 | H3 | 109.5° | 109.4° |
| H4 | C4 | H5 | 109.5° | 109.6° |
| H8 | C8 | H9 | 109.4° | 109.5° |
| H8 | C8 | H10 | 109.5° | 109.5° |
| H9 | C8 | H10 | 109.5° | 109.5° |
| H11 | C9 | H12 | 109.5° | 109.4° |
| H11 | C9 | H13 | 109.5° | 109.5° |
| H12 | C9 | H13 | 109.5° | 109.5° |
| H14 | C | H15 | 109.4° | 109.5° |
| H14 | C | H16 | 109.5° | 109.5° |
| H15 | C | H16 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C5 | C4 | C3 | H4 | 119.9° | 120.0° |
| C5 | C4 | C3 | H5 | 119.9° | 119.9° |
| C4 | C5 | C6 | C8 | 175.0° | 180.0° |
| C4 | C5 | C6 | C7 | 164.1° | 180.0° |
| C5 | C4 | C3 | C2 | 164.3° | 180.0° |
| C5 | C4 | C3 | H2 | 43.6° | 60.0° |
| C5 | C4 | C3 | H3 | 75.0° | 60.0° |
| C5 | C4 | H4 | H5 | 120.4° | 120.0° |
| C4 | C5 | C6 | H6 | 15.9° | 0.0° |
| C4 | C5 | C8 | H8 | 180.0° | 90.0° |
| C4 | C5 | C8 | H9 | 60.0° | 150.0° |
| C4 | C5 | C8 | H10 | 60.0° | 30.0° |
| C3 | C4 | C5 | C6 | 76.6° | 95.0° |
| C3 | C4 | C5 | C8 | 99.0° | 85.0° |
| C4 | C3 | C2 | H2 | 120.7° | 120.0° |
| C4 | C3 | C2 | H3 | 120.7° | 120.0° |
| C4 | C3 | C2 | C1 | 170.7° | 125.0° |
| C4 | C3 | C2 | H1 | 9.3° | 55.0° |
| C4 | C3 | H2 | H3 | 117.9° | 120.0° |
| C3 | C4 | H4 | H5 | 120.4° | 120.0° |
| C5 | C6 | C7 | H6 | 180.0° | 180.0° |
| C5 | C6 | C7 | O | 7.4° | 180.0° |
| C6 | C5 | C4 | H4 | 43.3° | 25.0° |
| C6 | C5 | C4 | H5 | 163.5° | 145.1° |
| C5 | C6 | C7 | H7 | 172.6° | 0.1° |
| C6 | C5 | C8 | H8 | 4.8° | 90.0° |
| C6 | C5 | C8 | H9 | 115.2° | 30.0° |
| C6 | C5 | C8 | H10 | 124.8° | 150.0° |
| C7 | C6 | C5 | C8 | 10.9° | 0.1° |
| C6 | C7 | O | H7 | 180.0° | 179.9° |
| C8 | C5 | C4 | H4 | 141.1° | 155.1° |
| C8 | C5 | C4 | H5 | 20.9° | 35.0° |
| C8 | C5 | C6 | H6 | 169.1° | 180.0° |
| C5 | C8 | H8 | H9 | 120.0° | 120.0° |
| C5 | C8 | H8 | H10 | 120.0° | 120.0° |
| C5 | C8 | H9 | H10 | 120.0° | 120.0° |
| O | C7 | C6 | H6 | 172.6° | 0.0° |
| C3 | C2 | C1 | H1 | 180.0° | 180.0° |
| C3 | C2 | C1 | C | 177.7° | 179.7° |
| C3 | C2 | C1 | C9 | 4.2° | 0.0° |
| C2 | C3 | H2 | H3 | 117.8° | 120.0° |
| C2 | C3 | C4 | H4 | 75.8° | 60.0° |
| C2 | C3 | C4 | H5 | 44.4° | 60.1° |
| C2 | C1 | C | C9 | 178.1° | 179.7° |
| C1 | C2 | C3 | H2 | 68.6° | 115.0° |
| C1 | C2 | C3 | H3 | 50.0° | 5.0° |
| C2 | C1 | C9 | H11 | 180.0° | 60.0° |
| C2 | C1 | C9 | H12 | 60.0° | 180.0° |
| C2 | C1 | C9 | H13 | 60.0° | 60.0° |
| C2 | C1 | C | H14 | 180.0° | 89.7° |
| C2 | C1 | C | H15 | 60.0° | 30.3° |
| C2 | C1 | C | H16 | 60.0° | 150.3° |
| C | C1 | C2 | H1 | 2.3° | 0.3° |
| C | C1 | C9 | H11 | 1.8° | 119.7° |
| C | C1 | C9 | H12 | 121.8° | 0.3° |
| C | C1 | C9 | H13 | 118.2° | 120.3° |
| C1 | C | H14 | H15 | 120.0° | 120.0° |
| C1 | C | H14 | H16 | 120.1° | 120.0° |
| C1 | C | H15 | H16 | 120.0° | 120.0° |
| C9 | C1 | C2 | H1 | 175.8° | 180.0° |
| C1 | C9 | H11 | H12 | 120.0° | 120.0° |
| C1 | C9 | H11 | H13 | 120.0° | 120.1° |
| C1 | C9 | H12 | H13 | 120.0° | 120.0° |
| C9 | C1 | C | H14 | 1.8° | 90.0° |
| C9 | C1 | C | H15 | 118.2° | 150.0° |
| C9 | C1 | C | H16 | 121.9° | 30.0° |
| H1 | C2 | C3 | H2 | 111.4° | 65.0° |
| H1 | C2 | C3 | H3 | 130.0° | 175.0° |
| H2 | C3 | C4 | H4 | 163.5° | 179.9° |
| H2 | C3 | C4 | H5 | 76.3° | 60.0° |
| H3 | C3 | C4 | H4 | 44.9° | 59.9° |
| H3 | C3 | C4 | H5 | 165.1° | 180.0° |
| H6 | C6 | C7 | H7 | 7.4° | 180.0° |
| H8 | C8 | H9 | H10 | 120.0° | 120.1° |
| H11 | C9 | H12 | H13 | 120.0° | 120.0° |
| H14 | C | H15 | H16 | 119.9° | 120.0° |
