GDQ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C6 | O6 | sing | 1.43Å | 1.43Å | |
| C6 | C5 | sing | 1.53Å | 1.54Å | |
| C5 | C7 | sing | 1.51Å | 1.51Å | |
| C5 | C4 | sing | 1.51Å | 1.54Å | |
| C7 | C1 | sing | 1.51Å | 1.51Å | |
| N2 | C1 | sing | 1.46Å | 1.47Å | |
| N2 | C2 | sing | 1.48Å | 1.49Å | |
| C1 | C2 | sing | 1.52Å | 1.49Å | |
| O4 | C4 | sing | 1.43Å | 1.44Å | |
| C4 | C3 | sing | 1.51Å | 1.51Å | |
| C2 | C3 | sing | 1.52Å | 1.52Å | |
| C3 | O3 | sing | 1.43Å | 1.44Å | |
| C7 | H1 | sing | 1.09Å | 1.10Å | |
| C7 | H2 | sing | 1.09Å | 1.10Å | |
| C4 | H3 | sing | 1.09Å | 1.10Å | |
| C2 | H4 | sing | 1.09Å | 1.10Å | |
| C1 | H5 | sing | 1.09Å | 1.10Å | |
| O4 | H6 | sing | 0.97Å | 0.95Å | |
| C5 | H7 | sing | 1.09Å | 1.10Å | |
| C6 | H8 | sing | 1.09Å | 1.10Å | |
| C6 | H9 | sing | 1.09Å | 1.10Å | |
| O6 | H10 | sing | 0.97Å | 0.95Å | |
| C3 | H11 | sing | 1.09Å | 1.10Å | |
| O3 | H12 | sing | 0.97Å | 0.95Å | |
| N2 | H13 | sing | 1.01Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O6 | C6 | C5 | 113.6° | 109.5° |
| O6 | C6 | H8 | 108.4° | 109.5° |
| O6 | C6 | H9 | 108.5° | 109.5° |
| C6 | O6 | H10 | 109.5° | 114.0° |
| C6 | C5 | C7 | 108.4° | 108.8° |
| C6 | C5 | C4 | 113.9° | 108.8° |
| C6 | C5 | H7 | 108.1° | 108.6° |
| C5 | C6 | H8 | 108.4° | 109.4° |
| C5 | C6 | H9 | 108.4° | 109.4° |
| C7 | C5 | C4 | 109.7° | 112.9° |
| C5 | C7 | C1 | 114.2° | 112.7° |
| C5 | C7 | H1 | 108.3° | 108.8° |
| C5 | C7 | H2 | 108.3° | 108.8° |
| C7 | C5 | H7 | 108.4° | 108.8° |
| C5 | C4 | O4 | 111.3° | 108.7° |
| C5 | C4 | C3 | 111.3° | 112.9° |
| C5 | C4 | H3 | 108.4° | 108.9° |
| C4 | C5 | H7 | 108.2° | 108.8° |
| C7 | C1 | N2 | 117.9° | 120.5° |
| C7 | C1 | C2 | 118.5° | 120.1° |
| C1 | C7 | H1 | 108.3° | 108.8° |
| C1 | C7 | H2 | 108.3° | 108.9° |
| C7 | C1 | H5 | 115.9° | 114.6° |
| C1 | N2 | C2 | 60.6° | 62.3° |
| N2 | C1 | C2 | 60.2° | 59.3° |
| N2 | C1 | H5 | 116.7° | 115.4° |
| C1 | N2 | H13 | 119.9° | 111.0° |
| N2 | C2 | C1 | 59.2° | 58.4° |
| N2 | C2 | C3 | 117.8° | 116.2° |
| N2 | C2 | H4 | 115.8° | 117.3° |
| C2 | N2 | H13 | 119.9° | 111.0° |
| C1 | C2 | C3 | 121.5° | 120.7° |
| C1 | C2 | H4 | 115.7° | 116.9° |
| C2 | C1 | H5 | 116.3° | 115.9° |
| O4 | C4 | C3 | 107.5° | 108.8° |
| O4 | C4 | H3 | 109.6° | 108.8° |
| C4 | O4 | H6 | 109.5° | 114.0° |
| C4 | C3 | C2 | 113.5° | 112.2° |
| C4 | C3 | O3 | 107.4° | 108.9° |
| C3 | C4 | H3 | 108.7° | 108.7° |
| C4 | C3 | H11 | 108.7° | 108.9° |
| C2 | C3 | O3 | 109.0° | 108.9° |
| C3 | C2 | H4 | 115.3° | 115.5° |
| C2 | C3 | H11 | 108.6° | 108.9° |
| O3 | C3 | H11 | 109.6° | 108.9° |
| C3 | O3 | H12 | 109.5° | 114.0° |
| H1 | C7 | H2 | 109.5° | 108.8° |
| H8 | C6 | H9 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O6 | C6 | C5 | H8 | 120.6° | 120.0° |
| O6 | C6 | C5 | H9 | 120.6° | 120.1° |
| O6 | C6 | C5 | C7 | 53.2° | 175.0° |
| O6 | C6 | C5 | C4 | 69.2° | 61.6° |
| O6 | C6 | C5 | H7 | 170.5° | 56.7° |
| O6 | C6 | H8 | H9 | 118.2° | 120.1° |
| C6 | C5 | C7 | C4 | 124.9° | 120.9° |
| C6 | C5 | C7 | H7 | 117.2° | 118.2° |
| C6 | C5 | C4 | H7 | 120.2° | 118.2° |
| C6 | C5 | C7 | C1 | 176.4° | 167.8° |
| C6 | C5 | C4 | O4 | 53.6° | 55.4° |
| C6 | C5 | C4 | C3 | 173.5° | 176.2° |
| C6 | C5 | C7 | H1 | 62.9° | 47.0° |
| C6 | C5 | C7 | H2 | 55.7° | 71.4° |
| C6 | C5 | C4 | H3 | 67.0° | 62.9° |
| C5 | C6 | H8 | H9 | 118.1° | 119.9° |
| C5 | C6 | O6 | H10 | 180.0° | 180.0° |
| C7 | C5 | C4 | H7 | 118.1° | 120.9° |
| C5 | C7 | C1 | H1 | 120.7° | 120.8° |
| C5 | C7 | C1 | H2 | 120.7° | 120.8° |
| C5 | C7 | C1 | N2 | 48.4° | 50.5° |
| C5 | C7 | C1 | C2 | 21.0° | 19.4° |
| C7 | C5 | C4 | O4 | 175.3° | 176.3° |
| C7 | C5 | C4 | C3 | 64.8° | 62.9° |
| C5 | C7 | H1 | H2 | 117.9° | 118.4° |
| C7 | C5 | C4 | H3 | 54.7° | 57.9° |
| C5 | C7 | C1 | H5 | 166.3° | 164.7° |
| C7 | C5 | C6 | H8 | 173.8° | 65.0° |
| C7 | C5 | C6 | H9 | 67.4° | 54.9° |
| C4 | C5 | C7 | C1 | 51.5° | 46.9° |
| C5 | C4 | O4 | C3 | 122.2° | 123.3° |
| C5 | C4 | O4 | H3 | 119.9° | 118.4° |
| C5 | C4 | C3 | H3 | 119.3° | 120.9° |
| C5 | C4 | C3 | C2 | 45.1° | 46.5° |
| C5 | C4 | C3 | O3 | 165.6° | 167.2° |
| C4 | C5 | C7 | H1 | 172.2° | 73.9° |
| C4 | C5 | C7 | H2 | 69.2° | 167.7° |
| C5 | C4 | O4 | H6 | 180.0° | 176.7° |
| C4 | C5 | C6 | H8 | 51.4° | 58.4° |
| C4 | C5 | C6 | H9 | 170.2° | 178.3° |
| C5 | C4 | C3 | H11 | 75.8° | 74.2° |
| C7 | C1 | N2 | C2 | 108.6° | 109.1° |
| C7 | C1 | N2 | H5 | 145.0° | 144.6° |
| C7 | C1 | C2 | H5 | 145.3° | 144.8° |
| C7 | C1 | C2 | C3 | 1.8° | 6.1° |
| C1 | C7 | H1 | H2 | 117.8° | 118.5° |
| C7 | C1 | C2 | H4 | 146.4° | 143.3° |
| C1 | C7 | C5 | H7 | 66.5° | 74.0° |
| C7 | C1 | N2 | H13 | 1.1° | 5.7° |
| C1 | N2 | C2 | H13 | 109.6° | 103.4° |
| N2 | C1 | C2 | H5 | 107.1° | 105.4° |
| C1 | N2 | C2 | C3 | 111.9° | 111.4° |
| N2 | C1 | C7 | H1 | 72.3° | 171.3° |
| N2 | C1 | C7 | H2 | 169.1° | 70.3° |
| C1 | N2 | C2 | H4 | 105.8° | 106.2° |
| N2 | C2 | C3 | C4 | 83.4° | 86.3° |
| N2 | C2 | C3 | H4 | 142.5° | 143.0° |
| N2 | C2 | C3 | O3 | 156.9° | 153.0° |
| N2 | C2 | C3 | H11 | 37.6° | 34.4° |
| C1 | C2 | C3 | C4 | 14.3° | 19.1° |
| C1 | C2 | C3 | H4 | 148.3° | 149.8° |
| C1 | C2 | C3 | O3 | 133.9° | 139.8° |
| C2 | C1 | C7 | H1 | 141.7° | 101.4° |
| C2 | C1 | C7 | H2 | 99.7° | 140.2° |
| C1 | C2 | C3 | H11 | 106.7° | 101.5° |
| O4 | C4 | C3 | H3 | 118.5° | 118.3° |
| O4 | C4 | C3 | C2 | 167.2° | 167.3° |
| O4 | C4 | C3 | O3 | 72.2° | 72.0° |
| O4 | C4 | C5 | H7 | 66.6° | 62.8° |
| O4 | C4 | C3 | H11 | 46.3° | 46.6° |
| C4 | C3 | C2 | O3 | 119.7° | 120.7° |
| C4 | C3 | C2 | H11 | 121.0° | 120.7° |
| C4 | C3 | O3 | H11 | 117.9° | 118.6° |
| C4 | C3 | C2 | H4 | 134.1° | 130.7° |
| C3 | C4 | O4 | H6 | 57.8° | 60.0° |
| C3 | C4 | C5 | H7 | 53.3° | 58.0° |
| C4 | C3 | O3 | H12 | 180.0° | 60.0° |
| C2 | C3 | O3 | H11 | 118.7° | 118.6° |
| C2 | C3 | C4 | H3 | 74.2° | 74.4° |
| C3 | C2 | C1 | H5 | 147.1° | 150.9° |
| C2 | C3 | O3 | H12 | 56.6° | 177.3° |
| C3 | C2 | N2 | H13 | 2.2° | 8.0° |
| O3 | C3 | C4 | H3 | 46.3° | 46.3° |
| O3 | C3 | C2 | H4 | 14.4° | 10.0° |
| H1 | C7 | C1 | H5 | 72.9° | 43.8° |
| H1 | C7 | C5 | H7 | 54.2° | 165.2° |
| H2 | C7 | C1 | H5 | 45.7° | 74.6° |
| H2 | C7 | C5 | H7 | 172.9° | 46.8° |
| H3 | C4 | O4 | H6 | 60.1° | 58.3° |
| H3 | C4 | C5 | H7 | 172.8° | 178.8° |
| H3 | C4 | C3 | H11 | 164.8° | 164.9° |
| H4 | C2 | C1 | H5 | 1.1° | 1.5° |
| H4 | C2 | C3 | H11 | 105.0° | 108.6° |
| H4 | C2 | N2 | H13 | 144.6° | 150.3° |
| H5 | C1 | N2 | H13 | 143.9° | 150.2° |
| H7 | C5 | C6 | H8 | 68.9° | 176.8° |
| H7 | C5 | C6 | H9 | 49.9° | 63.3° |
| H8 | C6 | O6 | H10 | 59.4° | 60.1° |
| H9 | C6 | O6 | H10 | 59.4° | 59.9° |
| H11 | C3 | O3 | H12 | 62.1° | 58.6° |
