GQY
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C10 | C11 | sing | 1.53Å | 1.51Å | |
| C10 | O2 | sing | 1.43Å | 1.42Å | |
| C11 | N2 | sing | 1.47Å | 1.46Å | |
| O2 | C9 | sing | 1.43Å | 1.43Å | |
| C5 | C6 | doub | 1.38Å | 1.38Å | Aromatic |
| C5 | C4 | sing | 1.39Å | 1.40Å | Aromatic |
| N2 | C4 | sing | 1.40Å | 1.43Å | |
| N2 | C8 | sing | 1.47Å | 1.46Å | |
| C9 | C8 | sing | 1.53Å | 1.51Å | |
| C6 | C7 | sing | 1.39Å | 1.39Å | Aromatic |
| C4 | C3 | doub | 1.39Å | 1.41Å | Aromatic |
| C7 | N1 | sing | 1.40Å | 1.40Å | |
| C7 | C2 | doub | 1.39Å | 1.41Å | Aromatic |
| C3 | C2 | sing | 1.39Å | 1.39Å | Aromatic |
| C2 | O1 | sing | 1.36Å | 1.37Å | |
| O1 | C1 | sing | 1.43Å | 1.43Å | |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| N1 | H2 | sing | 0.97Å | 1.00Å | |
| C5 | H3 | sing | 1.08Å | 1.08Å | |
| C6 | H4 | sing | 1.08Å | 1.08Å | |
| C8 | H5 | sing | 1.09Å | 1.10Å | |
| C8 | H6 | sing | 1.09Å | 1.10Å | |
| C10 | H7 | sing | 1.09Å | 1.10Å | |
| C10 | H8 | sing | 1.09Å | 1.10Å | |
| C1 | H9 | sing | 1.09Å | 1.10Å | |
| C1 | H10 | sing | 1.09Å | 1.10Å | |
| C1 | H11 | sing | 1.09Å | 1.10Å | |
| C3 | H12 | sing | 1.08Å | 1.08Å | |
| C9 | H13 | sing | 1.09Å | 1.10Å | |
| C9 | H14 | sing | 1.09Å | 1.10Å | |
| C11 | H15 | sing | 1.09Å | 1.10Å | |
| C11 | H16 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C11 | C10 | O2 | 112.9° | 109.3° |
| C10 | C11 | N2 | 110.4° | 109.2° |
| C11 | C10 | H7 | 108.6° | 109.5° |
| C11 | C10 | H8 | 108.6° | 109.5° |
| C10 | C11 | H15 | 109.2° | 109.4° |
| C10 | C11 | H16 | 109.2° | 109.5° |
| C10 | O2 | C9 | 113.6° | 113.7° |
| O2 | C10 | H7 | 108.6° | 109.5° |
| O2 | C10 | H8 | 108.6° | 109.5° |
| C11 | N2 | C4 | 122.3° | 111.0° |
| C11 | N2 | C8 | 115.1° | 110.7° |
| N2 | C11 | H15 | 109.2° | 109.5° |
| N2 | C11 | H16 | 109.2° | 109.6° |
| O2 | C9 | C8 | 113.5° | 109.3° |
| O2 | C9 | H13 | 108.4° | 109.5° |
| O2 | C9 | H14 | 108.4° | 109.5° |
| C6 | C5 | C4 | 121.0° | 120.1° |
| C5 | C6 | C7 | 120.0° | 120.0° |
| C6 | C5 | H3 | 119.5° | 119.9° |
| C5 | C6 | H4 | 120.0° | 120.0° |
| C5 | C4 | N2 | 120.7° | 120.0° |
| C5 | C4 | C3 | 118.8° | 120.1° |
| C4 | C5 | H3 | 119.5° | 120.0° |
| C4 | N2 | C8 | 122.5° | 111.0° |
| N2 | C4 | C3 | 120.4° | 120.0° |
| N2 | C8 | C9 | 110.0° | 109.3° |
| N2 | C8 | H5 | 109.3° | 109.5° |
| N2 | C8 | H6 | 109.3° | 109.5° |
| C9 | C8 | H5 | 109.3° | 109.5° |
| C9 | C8 | H6 | 109.4° | 109.5° |
| C8 | C9 | H13 | 108.5° | 109.5° |
| C8 | C9 | H14 | 108.5° | 109.5° |
| C6 | C7 | N1 | 121.3° | 120.0° |
| C6 | C7 | C2 | 120.2° | 120.0° |
| C7 | C6 | H4 | 120.0° | 120.0° |
| C4 | C3 | C2 | 120.8° | 119.9° |
| C4 | C3 | H12 | 119.6° | 120.0° |
| N1 | C7 | C2 | 118.5° | 120.0° |
| C7 | N1 | H1 | 109.5° | 120.0° |
| C7 | N1 | H2 | 109.5° | 120.0° |
| C7 | C2 | C3 | 119.2° | 119.9° |
| C7 | C2 | O1 | 115.1° | 120.1° |
| C3 | C2 | O1 | 125.7° | 120.0° |
| C2 | C3 | H12 | 119.6° | 120.1° |
| C2 | O1 | C1 | 120.5° | 117.0° |
| O1 | C1 | H9 | 109.5° | 109.5° |
| O1 | C1 | H10 | 109.5° | 109.5° |
| O1 | C1 | H11 | 109.5° | 109.4° |
| H1 | N1 | H2 | 109.4° | 120.0° |
| H5 | C8 | H6 | 109.4° | 109.6° |
| H7 | C10 | H8 | 109.4° | 109.5° |
| H9 | C1 | H10 | 109.5° | 109.5° |
| H9 | C1 | H11 | 109.5° | 109.5° |
| H10 | C1 | H11 | 109.4° | 109.4° |
| H13 | C9 | H14 | 109.5° | 109.5° |
| H15 | C11 | H16 | 109.5° | 109.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C11 | C10 | O2 | H7 | 120.5° | 120.0° |
| C11 | C10 | O2 | H8 | 120.5° | 119.9° |
| C10 | C11 | N2 | H15 | 120.1° | 119.9° |
| C10 | C11 | N2 | H16 | 120.1° | 119.9° |
| C11 | C10 | O2 | C9 | 34.4° | 58.6° |
| C10 | C11 | N2 | C4 | 160.4° | 177.7° |
| C10 | C11 | N2 | C8 | 22.8° | 58.6° |
| C11 | C10 | H7 | H8 | 118.4° | 120.1° |
| C10 | C11 | H15 | H16 | 119.6° | 120.0° |
| O2 | C10 | C11 | N2 | 60.1° | 56.8° |
| C10 | O2 | C9 | C8 | 23.7° | 58.7° |
| O2 | C10 | H7 | H8 | 118.4° | 120.1° |
| C10 | O2 | C9 | H13 | 144.3° | 178.6° |
| C10 | O2 | C9 | H14 | 96.9° | 61.3° |
| O2 | C10 | C11 | H15 | 60.1° | 63.1° |
| O2 | C10 | C11 | H16 | 179.8° | 176.8° |
| C11 | N2 | C4 | C5 | 39.7° | 123.4° |
| C11 | N2 | C4 | C8 | 176.6° | 123.6° |
| C11 | N2 | C8 | C9 | 32.1° | 58.7° |
| C11 | N2 | C4 | C3 | 138.0° | 56.4° |
| C11 | N2 | C8 | H5 | 152.1° | 61.3° |
| C11 | N2 | C8 | H6 | 88.1° | 178.6° |
| N2 | C11 | C10 | H7 | 60.5° | 176.8° |
| N2 | C11 | C10 | H8 | 179.4° | 63.1° |
| N2 | C11 | H15 | H16 | 119.6° | 120.2° |
| O2 | C9 | C8 | N2 | 59.2° | 56.9° |
| O2 | C9 | C8 | H13 | 120.6° | 120.0° |
| O2 | C9 | C8 | H14 | 120.6° | 120.0° |
| O2 | C9 | C8 | H5 | 179.3° | 63.1° |
| O2 | C9 | C8 | H6 | 60.9° | 176.8° |
| C9 | O2 | C10 | H7 | 86.2° | 178.6° |
| C9 | O2 | C10 | H8 | 154.9° | 61.3° |
| O2 | C9 | H13 | H14 | 118.1° | 120.1° |
| C6 | C5 | C4 | H3 | 180.0° | 180.0° |
| C6 | C5 | C4 | N2 | 178.8° | 179.8° |
| C5 | C6 | C7 | H4 | 180.0° | 180.0° |
| C6 | C5 | C4 | C3 | 1.0° | 0.1° |
| C5 | C6 | C7 | N1 | 179.9° | 180.0° |
| C5 | C6 | C7 | C2 | 0.9° | 0.0° |
| C5 | C4 | N2 | C3 | 177.7° | 179.8° |
| C5 | C4 | N2 | C8 | 143.7° | 0.2° |
| C4 | C5 | C6 | C7 | 0.5° | 0.0° |
| C5 | C4 | C3 | C2 | 0.2° | 0.1° |
| C4 | C5 | C6 | H4 | 179.5° | 180.0° |
| C5 | C4 | C3 | H12 | 179.8° | 180.0° |
| C4 | N2 | C8 | C9 | 144.7° | 177.6° |
| N2 | C4 | C3 | C2 | 178.0° | 179.7° |
| N2 | C4 | C5 | H3 | 1.2° | 0.2° |
| C4 | N2 | C8 | H5 | 24.7° | 62.5° |
| C4 | N2 | C8 | H6 | 95.1° | 57.7° |
| N2 | C4 | C3 | H12 | 2.0° | 0.1° |
| C4 | N2 | C11 | H15 | 79.5° | 62.5° |
| C4 | N2 | C11 | H16 | 40.2° | 57.8° |
| N2 | C8 | C9 | H5 | 120.1° | 119.9° |
| N2 | C8 | C9 | H6 | 120.1° | 119.9° |
| C8 | N2 | C4 | C3 | 38.5° | 180.0° |
| N2 | C8 | H5 | H6 | 119.7° | 120.1° |
| N2 | C8 | C9 | H13 | 179.7° | 176.9° |
| N2 | C8 | C9 | H14 | 61.4° | 63.1° |
| C8 | N2 | C11 | H15 | 97.3° | 61.3° |
| C8 | N2 | C11 | H16 | 143.0° | 178.5° |
| C9 | C8 | H5 | H6 | 119.8° | 120.1° |
| C8 | C9 | H13 | H14 | 118.2° | 120.1° |
| C6 | C7 | N1 | C2 | 179.0° | 179.9° |
| C6 | C7 | C2 | C3 | 1.6° | 0.0° |
| C6 | C7 | C2 | O1 | 180.0° | 180.0° |
| C6 | C7 | N1 | H1 | 180.0° | 0.0° |
| C6 | C7 | N1 | H2 | 60.0° | 179.8° |
| C7 | C6 | C5 | H3 | 179.5° | 180.0° |
| C4 | C3 | C2 | C7 | 1.1° | 0.1° |
| C4 | C3 | C2 | H12 | 180.0° | 179.9° |
| C4 | C3 | C2 | O1 | 179.3° | 179.9° |
| C3 | C4 | C5 | H3 | 179.0° | 179.9° |
| N1 | C7 | C2 | C3 | 179.3° | 179.9° |
| N1 | C7 | C2 | O1 | 0.9° | 0.1° |
| C7 | N1 | H1 | H2 | 120.0° | 179.7° |
| N1 | C7 | C6 | H4 | 0.2° | 0.1° |
| C7 | C2 | C3 | O1 | 178.2° | 180.0° |
| C7 | C2 | O1 | C1 | 173.0° | 180.0° |
| C2 | C7 | N1 | H1 | 1.0° | 180.0° |
| C2 | C7 | N1 | H2 | 119.0° | 0.3° |
| C2 | C7 | C6 | H4 | 179.1° | 180.0° |
| C7 | C2 | C3 | H12 | 178.9° | 179.9° |
| C3 | C2 | O1 | C1 | 8.7° | 0.0° |
| C2 | O1 | C1 | H9 | 180.0° | 60.0° |
| C2 | O1 | C1 | H10 | 60.0° | 60.0° |
| C2 | O1 | C1 | H11 | 60.0° | 180.0° |
| O1 | C2 | C3 | H12 | 0.7° | 0.1° |
| O1 | C1 | H9 | H10 | 120.0° | 120.1° |
| O1 | C1 | H9 | H11 | 120.0° | 120.0° |
| O1 | C1 | H10 | H11 | 120.0° | 119.9° |
| H3 | C5 | C6 | H4 | 0.5° | 0.0° |
| H5 | C8 | C9 | H13 | 60.2° | 56.9° |
| H5 | C8 | C9 | H14 | 58.7° | 177.0° |
| H6 | C8 | C9 | H13 | 59.6° | 63.2° |
| H6 | C8 | C9 | H14 | 178.5° | 56.8° |
| H7 | C10 | C11 | H15 | 179.4° | 56.9° |
| H7 | C10 | C11 | H16 | 59.7° | 63.2° |
| H8 | C10 | C11 | H15 | 60.4° | 177.0° |
| H8 | C10 | C11 | H16 | 59.3° | 56.9° |
| H9 | C1 | H10 | H11 | 120.0° | 120.0° |
