GHR
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | N1 | doub | 1.29Å | 1.33Å | |
| N5 | C1 | sing | 1.39Å | 1.39Å | |
| C5 | N5 | sing | 1.47Å | 1.48Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C6 | C5 | sing | 1.53Å | 1.52Å | |
| C6 | O6 | sing | 1.43Å | 1.41Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| C6 | H6A | sing | 1.09Å | 1.10Å | |
| O6 | HO6 | sing | 0.97Å | 0.95Å | |
| C4 | C5 | sing | 1.53Å | 1.55Å | |
| C4 | C3 | sing | 1.53Å | 1.52Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| O4 | C4 | sing | 1.43Å | 1.41Å | |
| O4 | HO4 | sing | 0.97Å | 0.95Å | |
| C3 | C2 | sing | 1.53Å | 1.51Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| O3 | C3 | sing | 1.43Å | 1.41Å | |
| O3 | HO3 | sing | 0.97Å | 0.95Å | |
| C2 | C1 | sing | 1.51Å | 1.53Å | |
| C2 | O2 | sing | 1.43Å | 1.41Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| O2 | HO2 | sing | 0.97Å | 0.95Å | |
| N1 | O7 | sing | 1.22Å | 1.37Å | |
| C12 | CL12 | sing | 1.74Å | 1.74Å | |
| C11 | C12 | doub | 1.38Å | 1.38Å | Aromatic |
| C11 | H11 | sing | 1.08Å | 1.08Å | |
| C10 | C11 | sing | 1.38Å | 1.38Å | Aromatic |
| C10 | H10 | sing | 1.08Å | 1.08Å | |
| C13 | C12 | sing | 1.38Å | 1.39Å | Aromatic |
| C13 | H13 | sing | 1.08Å | 1.08Å | |
| C14 | C13 | doub | 1.38Å | 1.39Å | Aromatic |
| C14 | H14 | sing | 1.08Å | 1.08Å | |
| C9 | C10 | doub | 1.39Å | 1.39Å | Aromatic |
| C9 | C14 | sing | 1.39Å | 1.39Å | Aromatic |
| N9 | C9 | sing | 1.40Å | 1.33Å | |
| N9 | HN9 | sing | 0.97Å | 1.00Å | |
| C8 | N9 | sing | 1.35Å | 1.34Å | |
| C8 | O7 | sing | 1.35Å | 1.37Å | |
| O8 | C8 | doub | 1.22Å | 1.23Å | |
| N5 | H16 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N1 | C1 | N5 | 121.9° | 121.3° |
| N1 | C1 | C2 | 120.2° | 121.3° |
| C1 | N1 | O7 | 127.8° | 120.0° |
| C1 | N5 | C5 | 123.3° | 117.6° |
| N5 | C1 | C2 | 117.9° | 117.4° |
| C1 | N5 | H16 | 118.4° | 121.2° |
| N5 | C5 | H5 | 105.3° | 109.6° |
| N5 | C5 | C6 | 111.5° | 109.6° |
| N5 | C5 | C4 | 114.3° | 108.8° |
| C5 | N5 | H16 | 118.3° | 121.2° |
| H5 | C5 | C6 | 108.3° | 109.6° |
| H5 | C5 | C4 | 105.2° | 109.6° |
| C5 | C6 | O6 | 108.4° | 109.4° |
| C5 | C6 | H6 | 109.8° | 109.5° |
| C5 | C6 | H6A | 110.1° | 109.4° |
| C6 | C5 | C4 | 111.6° | 109.7° |
| O6 | C6 | H6 | 109.8° | 109.5° |
| O6 | C6 | H6A | 110.1° | 109.5° |
| C6 | O6 | HO6 | 109.5° | 114.0° |
| H6 | C6 | H6A | 108.6° | 109.5° |
| C5 | C4 | C3 | 113.2° | 109.5° |
| C5 | C4 | H4 | 109.4° | 109.4° |
| C5 | C4 | O4 | 106.9° | 109.5° |
| C3 | C4 | H4 | 104.8° | 109.5° |
| C3 | C4 | O4 | 111.3° | 109.5° |
| C4 | C3 | C2 | 107.3° | 109.4° |
| C4 | C3 | H3 | 111.0° | 109.5° |
| C4 | C3 | O3 | 108.8° | 109.5° |
| H4 | C4 | O4 | 111.4° | 109.5° |
| C4 | O4 | HO4 | 109.5° | 114.0° |
| C2 | C3 | H3 | 111.4° | 109.4° |
| C2 | C3 | O3 | 108.4° | 109.6° |
| C3 | C2 | C1 | 106.2° | 108.6° |
| C3 | C2 | O2 | 111.0° | 109.7° |
| C3 | C2 | H2 | 111.5° | 109.7° |
| H3 | C3 | O3 | 109.9° | 109.5° |
| C3 | O3 | HO3 | 109.5° | 114.0° |
| C1 | C2 | O2 | 112.1° | 109.8° |
| C1 | C2 | H2 | 110.5° | 109.4° |
| O2 | C2 | H2 | 105.6° | 109.7° |
| C2 | O2 | HO2 | 109.5° | 114.0° |
| N1 | O7 | C8 | 123.5° | 117.0° |
| CL12 | C12 | C11 | 120.6° | 119.9° |
| CL12 | C12 | C13 | 120.8° | 119.9° |
| C12 | C11 | H11 | 119.3° | 120.0° |
| C12 | C11 | C10 | 121.5° | 120.0° |
| C11 | C12 | C13 | 118.6° | 120.1° |
| H11 | C11 | C10 | 119.3° | 120.0° |
| C11 | C10 | H10 | 119.9° | 120.0° |
| C11 | C10 | C9 | 120.1° | 119.9° |
| H10 | C10 | C9 | 120.0° | 120.1° |
| C12 | C13 | H13 | 119.9° | 120.0° |
| C12 | C13 | C14 | 120.2° | 120.1° |
| H13 | C13 | C14 | 119.9° | 120.0° |
| C13 | C14 | H14 | 119.8° | 120.0° |
| C13 | C14 | C9 | 120.4° | 119.9° |
| H14 | C14 | C9 | 119.8° | 120.0° |
| C10 | C9 | C14 | 119.2° | 119.9° |
| C10 | C9 | N9 | 121.1° | 120.0° |
| C14 | C9 | N9 | 119.7° | 120.0° |
| C9 | N9 | HN9 | 118.2° | 120.0° |
| C9 | N9 | C8 | 123.6° | 120.0° |
| HN9 | N9 | C8 | 118.2° | 120.0° |
| N9 | C8 | O7 | 117.5° | 120.0° |
| N9 | C8 | O8 | 119.6° | 120.0° |
| O7 | C8 | O8 | 122.6° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N1 | C1 | N5 | C2 | 179.8° | 179.8° |
| N1 | C1 | N5 | C5 | 175.2° | 133.5° |
| N1 | C1 | C2 | C3 | 136.3° | 132.6° |
| N1 | C1 | C2 | O2 | 14.9° | 12.7° |
| N1 | C1 | C2 | H2 | 102.6° | 107.7° |
| C1 | N1 | O7 | C8 | 22.0° | 179.9° |
| N1 | C1 | N5 | H16 | 4.8° | 46.5° |
| C1 | N5 | C5 | H16 | 180.0° | 180.0° |
| C1 | N5 | C5 | H5 | 123.7° | 70.3° |
| C1 | N5 | C5 | C6 | 119.0° | 169.4° |
| C1 | N5 | C5 | C4 | 8.8° | 49.5° |
| N5 | C1 | C2 | C3 | 43.5° | 47.2° |
| N5 | C1 | C2 | O2 | 164.9° | 167.1° |
| N5 | C1 | C2 | H2 | 77.6° | 72.5° |
| N5 | C1 | N1 | O7 | 1.6° | 0.1° |
| N5 | C5 | H5 | C6 | 119.5° | 120.3° |
| N5 | C5 | H5 | C4 | 121.1° | 119.3° |
| N5 | C5 | C6 | C4 | 129.2° | 119.4° |
| N5 | C5 | C6 | O6 | 50.1° | 65.0° |
| N5 | C5 | C6 | H6 | 170.1° | 175.0° |
| N5 | C5 | C6 | H6A | 70.3° | 55.0° |
| N5 | C5 | C4 | C3 | 18.4° | 56.9° |
| N5 | C5 | C4 | H4 | 98.0° | 63.1° |
| N5 | C5 | C4 | O4 | 141.3° | 176.9° |
| C5 | N5 | C1 | C2 | 4.7° | 46.3° |
| H5 | C5 | C6 | C4 | 115.4° | 120.4° |
| H5 | C5 | C6 | O6 | 65.3° | 55.3° |
| H5 | C5 | C6 | H6 | 54.6° | 64.7° |
| H5 | C5 | C6 | H6A | 174.2° | 175.3° |
| H5 | C5 | C4 | C3 | 96.6° | 62.9° |
| H5 | C5 | C4 | H4 | 147.0° | 177.1° |
| H5 | C5 | C4 | O4 | 26.3° | 57.1° |
| H5 | C5 | N5 | H16 | 56.3° | 109.6° |
| C5 | C6 | O6 | H6 | 120.0° | 120.1° |
| C5 | C6 | O6 | H6A | 120.4° | 119.9° |
| C5 | C6 | H6 | H6A | 120.5° | 120.0° |
| C5 | C6 | O6 | HO6 | 35.9° | 180.0° |
| C6 | C5 | C4 | C3 | 146.1° | 176.7° |
| C6 | C5 | C4 | H4 | 29.7° | 56.7° |
| C6 | C5 | C4 | O4 | 91.0° | 63.2° |
| C6 | C5 | N5 | H16 | 61.0° | 10.6° |
| O6 | C6 | H6 | H6A | 120.5° | 120.0° |
| O6 | C6 | C5 | C4 | 179.3° | 175.7° |
| H6 | C6 | O6 | HO6 | 155.9° | 60.0° |
| H6 | C6 | C5 | C4 | 60.8° | 55.6° |
| H6A | C6 | O6 | HO6 | 84.5° | 60.0° |
| H6A | C6 | C5 | C4 | 58.8° | 64.4° |
| C5 | C4 | C3 | H4 | 119.1° | 120.0° |
| C5 | C4 | C3 | O4 | 120.4° | 120.0° |
| C5 | C4 | H4 | O4 | 117.9° | 120.0° |
| C5 | C4 | O4 | HO4 | 59.8° | 180.0° |
| C5 | C4 | C3 | C2 | 57.6° | 62.3° |
| C5 | C4 | C3 | H3 | 64.3° | 57.6° |
| C5 | C4 | C3 | O3 | 174.6° | 177.6° |
| C4 | C5 | N5 | H16 | 171.2° | 130.5° |
| C3 | C4 | H4 | O4 | 120.4° | 120.0° |
| C3 | C4 | O4 | HO4 | 64.3° | 60.0° |
| C4 | C3 | C2 | H3 | 121.6° | 119.9° |
| C4 | C3 | C2 | O3 | 117.3° | 120.0° |
| C4 | C3 | H3 | O3 | 120.4° | 120.0° |
| C4 | C3 | O3 | HO3 | 3.8° | 180.0° |
| C4 | C3 | C2 | C1 | 68.7° | 54.5° |
| C4 | C3 | C2 | O2 | 169.2° | 174.5° |
| C4 | C3 | C2 | H2 | 51.7° | 64.9° |
| H4 | C4 | O4 | HO4 | 179.2° | 60.0° |
| H4 | C4 | C3 | C2 | 61.5° | 57.7° |
| H4 | C4 | C3 | H3 | 176.6° | 177.6° |
| H4 | C4 | C3 | O3 | 55.5° | 62.4° |
| O4 | C4 | C3 | C2 | 178.0° | 177.7° |
| O4 | C4 | C3 | H3 | 56.1° | 62.4° |
| O4 | C4 | C3 | O3 | 65.0° | 57.6° |
| C2 | C3 | H3 | O3 | 120.1° | 120.1° |
| C2 | C3 | O3 | HO3 | 120.1° | 60.0° |
| C3 | C2 | C1 | O2 | 121.4° | 119.9° |
| C3 | C2 | C1 | H2 | 121.1° | 119.7° |
| C3 | C2 | O2 | H2 | 121.1° | 120.6° |
| C3 | C2 | O2 | HO2 | 38.3° | 180.0° |
| H3 | C3 | O3 | HO3 | 117.9° | 59.9° |
| H3 | C3 | C2 | C1 | 53.0° | 65.4° |
| H3 | C3 | C2 | O2 | 69.1° | 54.6° |
| H3 | C3 | C2 | H2 | 173.4° | 175.1° |
| O3 | C3 | C2 | C1 | 174.0° | 174.6° |
| O3 | C3 | C2 | O2 | 51.9° | 65.5° |
| O3 | C3 | C2 | H2 | 65.6° | 55.1° |
| C1 | C2 | O2 | H2 | 120.4° | 120.2° |
| C1 | C2 | O2 | HO2 | 156.9° | 60.8° |
| C2 | C1 | N1 | O7 | 178.6° | 179.7° |
| C2 | C1 | N5 | H16 | 175.3° | 133.7° |
| H2 | C2 | O2 | HO2 | 82.8° | 59.5° |
| N1 | O7 | C8 | N9 | 133.6° | 180.0° |
| N1 | O7 | C8 | O8 | 52.3° | 0.1° |
| CL12 | C12 | C11 | C13 | 179.6° | 179.7° |
| CL12 | C12 | C11 | H11 | 0.3° | 0.0° |
| CL12 | C12 | C11 | C10 | 179.7° | 179.9° |
| CL12 | C12 | C13 | H13 | 0.2° | 0.0° |
| CL12 | C12 | C13 | C14 | 179.7° | 179.9° |
| C12 | C11 | H11 | C10 | 180.0° | 179.9° |
| C12 | C11 | C10 | H10 | 179.9° | 180.0° |
| C11 | C12 | C13 | H13 | 179.8° | 179.8° |
| C11 | C12 | C13 | C14 | 0.2° | 0.3° |
| C12 | C11 | C10 | C9 | 0.1° | 0.1° |
| H11 | C11 | C10 | H10 | 0.1° | 0.1° |
| H11 | C11 | C12 | C13 | 179.9° | 179.7° |
| H11 | C11 | C10 | C9 | 179.9° | 180.0° |
| C11 | C10 | H10 | C9 | 180.0° | 180.0° |
| C10 | C11 | C12 | C13 | 0.1° | 0.4° |
| C11 | C10 | C9 | C14 | 0.2° | 0.3° |
| C11 | C10 | C9 | N9 | 179.7° | 180.0° |
| H10 | C10 | C9 | C14 | 179.8° | 179.7° |
| H10 | C10 | C9 | N9 | 0.3° | 0.0° |
| C12 | C13 | H13 | C14 | 180.0° | 179.9° |
| C12 | C13 | C14 | H14 | 179.9° | 179.9° |
| C12 | C13 | C14 | C9 | 0.1° | 0.0° |
| H13 | C13 | C14 | H14 | 0.1° | 0.0° |
| H13 | C13 | C14 | C9 | 179.9° | 179.9° |
| C13 | C14 | H14 | C9 | 180.0° | 179.9° |
| C13 | C14 | C9 | C10 | 0.1° | 0.3° |
| C13 | C14 | C9 | N9 | 179.6° | 180.0° |
| H14 | C14 | C9 | C10 | 179.9° | 179.8° |
| H14 | C14 | C9 | N9 | 0.4° | 0.1° |
| C10 | C9 | C14 | N9 | 179.5° | 179.7° |
| C10 | C9 | N9 | HN9 | 142.6° | 146.7° |
| C10 | C9 | N9 | C8 | 37.4° | 33.3° |
| C14 | C9 | N9 | HN9 | 38.0° | 33.6° |
| C14 | C9 | N9 | C8 | 142.1° | 146.5° |
| C9 | N9 | HN9 | C8 | 180.0° | 179.9° |
| C9 | N9 | C8 | O7 | 2.4° | 174.7° |
| C9 | N9 | C8 | O8 | 176.7° | 5.4° |
| HN9 | N9 | C8 | O7 | 177.7° | 5.2° |
| HN9 | N9 | C8 | O8 | 3.4° | 174.7° |
| N9 | C8 | O7 | O8 | 174.1° | 179.9° |
