HGH
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C1 | sing | 1.38Å | 1.34Å | |
| N5 | C1 | doub | 1.32Å | 1.34Å | Aromatic |
| N5 | C13 | sing | 1.33Å | 1.34Å | Aromatic |
| C1 | N2 | sing | 1.33Å | 1.36Å | Aromatic |
| C13 | N4 | sing | 1.37Å | 1.36Å | Aromatic |
| C13 | C11 | doub | 1.41Å | 1.41Å | Aromatic |
| N2 | C2 | doub | 1.33Å | 1.33Å | Aromatic |
| N4 | C12 | sing | 1.36Å | 1.37Å | Aromatic |
| C4 | C5 | doub | 1.38Å | 1.37Å | Aromatic |
| C4 | C3 | sing | 1.39Å | 1.36Å | Aromatic |
| C11 | C2 | sing | 1.40Å | 1.37Å | Aromatic |
| C11 | N3 | sing | 1.36Å | 1.37Å | Aromatic |
| C2 | O1 | sing | 1.36Å | 1.37Å | |
| C5 | C6 | sing | 1.38Å | 1.38Å | Aromatic |
| C12 | N3 | doub | 1.30Å | 1.31Å | Aromatic |
| O1 | C3 | sing | 1.36Å | 1.39Å | |
| C3 | C10 | doub | 1.39Å | 1.38Å | Aromatic |
| C6 | C7 | doub | 1.38Å | 1.37Å | Aromatic |
| C10 | C7 | sing | 1.38Å | 1.38Å | Aromatic |
| C7 | C8 | sing | 1.51Å | 1.51Å | |
| C8 | C9 | sing | 1.51Å | 1.50Å | |
| O2 | C9 | doub | 1.21Å | 1.24Å | |
| C9 | O3 | sing | 1.34Å | 1.23Å | |
| C4 | H1 | sing | 1.08Å | 1.08Å | |
| C5 | H2 | sing | 1.08Å | 1.08Å | |
| C6 | H3 | sing | 1.08Å | 1.08Å | |
| C8 | H4 | sing | 1.09Å | 1.10Å | |
| C8 | H5 | sing | 1.09Å | 1.10Å | |
| C10 | H6 | sing | 1.08Å | 1.08Å | |
| C12 | H7 | sing | 1.08Å | 1.08Å | |
| N1 | H8 | sing | 0.97Å | 1.00Å | |
| N1 | H9 | sing | 0.97Å | 1.00Å | |
| O3 | H11 | sing | 0.97Å | 0.95Å | |
| N4 | H12 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N1 | C1 | N5 | 116.3° | 118.9° |
| N1 | C1 | N2 | 116.9° | 118.9° |
| C1 | N1 | H8 | 109.5° | 119.9° |
| C1 | N1 | H9 | 109.4° | 120.0° |
| C1 | N5 | C13 | 113.2° | 120.6° |
| N5 | C1 | N2 | 126.8° | 122.2° |
| N5 | C13 | N4 | 129.1° | 134.9° |
| N5 | C13 | C11 | 124.5° | 119.1° |
| C1 | N2 | C2 | 117.9° | 121.1° |
| N4 | C13 | C11 | 106.4° | 106.0° |
| C13 | N4 | C12 | 104.8° | 107.5° |
| C13 | N4 | H12 | 127.6° | 126.3° |
| C13 | C11 | C2 | 116.9° | 118.3° |
| C13 | C11 | N3 | 109.9° | 107.1° |
| N2 | C2 | C11 | 120.6° | 118.6° |
| N2 | C2 | O1 | 124.6° | 120.7° |
| N4 | C12 | N3 | 115.0° | 109.9° |
| N4 | C12 | H7 | 122.5° | 125.1° |
| C12 | N4 | H12 | 127.6° | 126.2° |
| C5 | C4 | C3 | 117.9° | 119.9° |
| C4 | C5 | C6 | 121.0° | 120.1° |
| C5 | C4 | H1 | 121.0° | 120.1° |
| C4 | C5 | H2 | 119.5° | 120.0° |
| C4 | C3 | O1 | 123.7° | 120.0° |
| C4 | C3 | C10 | 122.2° | 119.9° |
| C3 | C4 | H1 | 121.0° | 120.0° |
| C2 | C11 | N3 | 133.1° | 134.6° |
| C11 | C2 | O1 | 114.8° | 120.7° |
| C11 | N3 | C12 | 103.6° | 109.4° |
| C2 | O1 | C3 | 124.0° | 118.0° |
| C5 | C6 | C7 | 120.7° | 120.1° |
| C6 | C5 | H2 | 119.5° | 120.0° |
| C5 | C6 | H3 | 119.7° | 119.9° |
| N3 | C12 | H7 | 122.5° | 125.0° |
| O1 | C3 | C10 | 113.9° | 120.1° |
| C3 | C10 | C7 | 119.4° | 120.0° |
| C3 | C10 | H6 | 120.3° | 120.0° |
| C6 | C7 | C10 | 118.8° | 120.0° |
| C6 | C7 | C8 | 121.2° | 120.0° |
| C7 | C6 | H3 | 119.6° | 119.9° |
| C10 | C7 | C8 | 119.9° | 120.0° |
| C7 | C10 | H6 | 120.3° | 120.0° |
| C7 | C8 | C9 | 119.0° | 109.5° |
| C7 | C8 | H4 | 107.1° | 109.5° |
| C7 | C8 | H5 | 107.0° | 109.4° |
| C8 | C9 | O2 | 121.1° | 120.0° |
| C8 | C9 | O3 | 117.7° | 120.0° |
| C9 | C8 | H4 | 107.0° | 109.5° |
| C9 | C8 | H5 | 107.1° | 109.5° |
| O2 | C9 | O3 | 121.2° | 120.0° |
| C9 | O3 | H11 | 109.5° | 117.0° |
| H4 | C8 | H5 | 109.4° | 109.5° |
| H8 | N1 | H9 | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N1 | C1 | N5 | N2 | 178.3° | 179.3° |
| N1 | C1 | N5 | C13 | 179.7° | 179.6° |
| N1 | C1 | N2 | C2 | 179.9° | 180.0° |
| C1 | N1 | H8 | H9 | 120.0° | 179.9° |
| C1 | N5 | C13 | N4 | 178.5° | 180.0° |
| C1 | N5 | C13 | C11 | 1.0° | 0.1° |
| N5 | C1 | N2 | C2 | 1.8° | 0.6° |
| N5 | C1 | N1 | H8 | 0.0° | 179.4° |
| N5 | C1 | N1 | H9 | 120.0° | 0.7° |
| C13 | N5 | C1 | N2 | 1.4° | 0.3° |
| N5 | C13 | N4 | C11 | 179.6° | 179.9° |
| N5 | C13 | N4 | C12 | 179.3° | 179.8° |
| N5 | C13 | C11 | C2 | 1.1° | 0.0° |
| N5 | C13 | C11 | N3 | 177.8° | 179.7° |
| N5 | C13 | N4 | H12 | 0.7° | 0.1° |
| C1 | N2 | C2 | C11 | 1.7° | 0.6° |
| C1 | N2 | C2 | O1 | 179.9° | 179.4° |
| N2 | C1 | N1 | H8 | 178.5° | 0.0° |
| N2 | C1 | N1 | H9 | 61.5° | 179.9° |
| C13 | N4 | C12 | H12 | 180.0° | 179.9° |
| N4 | C13 | C11 | C2 | 178.5° | 180.0° |
| N4 | C13 | C11 | N3 | 1.8° | 0.2° |
| C13 | N4 | C12 | N3 | 4.0° | 0.1° |
| C13 | N4 | C12 | H7 | 176.0° | 179.9° |
| C13 | C11 | C2 | N2 | 1.3° | 0.3° |
| C11 | C13 | N4 | C12 | 1.1° | 0.1° |
| C13 | C11 | C2 | N3 | 175.8° | 179.7° |
| C13 | C11 | C2 | O1 | 179.8° | 179.7° |
| C13 | C11 | N3 | C12 | 4.0° | 0.2° |
| C11 | C13 | N4 | H12 | 178.9° | 180.0° |
| N2 | C2 | C11 | O1 | 178.4° | 180.0° |
| N2 | C2 | C11 | N3 | 177.1° | 180.0° |
| N2 | C2 | O1 | C3 | 4.9° | 5.8° |
| N4 | C12 | N3 | C11 | 5.0° | 0.2° |
| N4 | C12 | N3 | H7 | 180.0° | 179.8° |
| C5 | C4 | C3 | H1 | 180.0° | 179.8° |
| C4 | C5 | C6 | H2 | 180.0° | 179.9° |
| C5 | C4 | C3 | O1 | 172.2° | 180.0° |
| C5 | C4 | C3 | C10 | 1.6° | 0.1° |
| C4 | C5 | C6 | C7 | 1.9° | 0.1° |
| C4 | C5 | C6 | H3 | 178.1° | 179.9° |
| C4 | C3 | O1 | C2 | 44.3° | 70.9° |
| C3 | C4 | C5 | C6 | 2.0° | 0.1° |
| C4 | C3 | O1 | C10 | 174.2° | 179.9° |
| C4 | C3 | C10 | C7 | 1.0° | 0.1° |
| C3 | C4 | C5 | H2 | 178.0° | 180.0° |
| C4 | C3 | C10 | H6 | 179.0° | 180.0° |
| C2 | C11 | N3 | C12 | 180.0° | 180.0° |
| C11 | C2 | O1 | C3 | 173.4° | 174.1° |
| N3 | C11 | C2 | O1 | 4.5° | 0.0° |
| C11 | N3 | C12 | H7 | 175.0° | 180.0° |
| C2 | O1 | C3 | C10 | 141.4° | 109.2° |
| C5 | C6 | C7 | H3 | 180.0° | 180.0° |
| C5 | C6 | C7 | C10 | 1.3° | 0.1° |
| C5 | C6 | C7 | C8 | 177.5° | 180.0° |
| C6 | C5 | C4 | H1 | 178.0° | 179.7° |
| N3 | C12 | N4 | H12 | 176.0° | 179.9° |
| O1 | C3 | C10 | C7 | 173.4° | 180.0° |
| O1 | C3 | C4 | H1 | 7.8° | 0.2° |
| O1 | C3 | C10 | H6 | 6.6° | 0.1° |
| C3 | C10 | C7 | C6 | 0.8° | 0.1° |
| C3 | C10 | C7 | H6 | 180.0° | 179.9° |
| C3 | C10 | C7 | C8 | 177.0° | 180.0° |
| C10 | C3 | C4 | H1 | 178.5° | 179.7° |
| C6 | C7 | C10 | C8 | 176.3° | 179.9° |
| C6 | C7 | C8 | C9 | 112.0° | 90.0° |
| C7 | C6 | C5 | H2 | 178.1° | 180.0° |
| C6 | C7 | C8 | H4 | 9.3° | 150.0° |
| C6 | C7 | C8 | H5 | 126.6° | 30.0° |
| C6 | C7 | C10 | H6 | 179.2° | 180.0° |
| C10 | C7 | C8 | C9 | 71.8° | 90.0° |
| C10 | C7 | C6 | H3 | 178.7° | 179.9° |
| C10 | C7 | C8 | H4 | 166.8° | 30.1° |
| C10 | C7 | C8 | H5 | 49.6° | 150.0° |
| C7 | C8 | C9 | H4 | 121.4° | 120.0° |
| C7 | C8 | C9 | H5 | 121.4° | 120.0° |
| C7 | C8 | C9 | O2 | 10.7° | 0.0° |
| C7 | C8 | C9 | O3 | 167.4° | 180.0° |
| C8 | C7 | C6 | H3 | 2.5° | 0.0° |
| C7 | C8 | H4 | H5 | 115.7° | 120.0° |
| C8 | C7 | C10 | H6 | 3.0° | 0.1° |
| C8 | C9 | O2 | O3 | 178.0° | 180.0° |
| C9 | C8 | H4 | H5 | 115.7° | 120.0° |
| C8 | C9 | O3 | H11 | 178.1° | 180.0° |
| O2 | C9 | C8 | H4 | 132.1° | 120.0° |
| O2 | C9 | C8 | H5 | 110.6° | 120.0° |
| O2 | C9 | O3 | H11 | 0.0° | 0.0° |
| O3 | C9 | C8 | H4 | 46.0° | 60.0° |
| O3 | C9 | C8 | H5 | 71.3° | 60.0° |
| H1 | C4 | C5 | H2 | 2.0° | 0.2° |
| H2 | C5 | C6 | H3 | 1.9° | 0.0° |
| H7 | C12 | N4 | H12 | 4.0° | 0.1° |
