HGK
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O4 | C10 | doub | 1.21Å | 1.24Å | |
| C10 | N1 | sing | 1.33Å | 1.36Å | |
| C10 | C11 | sing | 1.52Å | 1.40Å | |
| N1 | C9 | doub | 1.31Å | 1.35Å | |
| C11 | C7 | sing | 1.52Å | 1.37Å | |
| C9 | C8 | sing | 1.39Å | 1.35Å | |
| C7 | C8 | doub | 1.36Å | 1.38Å | |
| C7 | O3 | sing | 1.35Å | 1.36Å | |
| O3 | C6 | sing | 1.36Å | 1.39Å | |
| C12 | C6 | doub | 1.39Å | 1.37Å | Aromatic |
| C12 | C13 | sing | 1.38Å | 1.38Å | Aromatic |
| C6 | C5 | sing | 1.39Å | 1.36Å | Aromatic |
| C13 | C3 | doub | 1.38Å | 1.38Å | Aromatic |
| C5 | C4 | doub | 1.38Å | 1.37Å | Aromatic |
| C3 | C4 | sing | 1.38Å | 1.38Å | Aromatic |
| C3 | C2 | sing | 1.51Å | 1.50Å | |
| C2 | C1 | sing | 1.51Å | 1.52Å | |
| O2 | C1 | doub | 1.21Å | 1.25Å | |
| C1 | O1 | sing | 1.34Å | 1.23Å | |
| C4 | H1 | sing | 1.08Å | 1.08Å | |
| C5 | H2 | sing | 1.08Å | 1.08Å | |
| C11 | H3 | sing | 1.09Å | 1.10Å | |
| C11 | H4 | sing | 1.09Å | 1.10Å | |
| C8 | H5 | sing | 1.08Å | 1.08Å | |
| C9 | H6 | sing | 1.08Å | 1.08Å | |
| C12 | H7 | sing | 1.08Å | 1.08Å | |
| C13 | H8 | sing | 1.08Å | 1.08Å | |
| O1 | H9 | sing | 0.97Å | 0.95Å | |
| C2 | H10 | sing | 1.09Å | 1.10Å | |
| C2 | H11 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O4 | C10 | N1 | 118.5° | 120.9° |
| O4 | C10 | C11 | 125.0° | 120.9° |
| N1 | C10 | C11 | 116.2° | 118.3° |
| C10 | N1 | C9 | 123.3° | 122.8° |
| C10 | C11 | C7 | 119.9° | 116.5° |
| C10 | C11 | H3 | 106.8° | 108.0° |
| C10 | C11 | H4 | 106.8° | 107.9° |
| N1 | C9 | C8 | 120.5° | 124.3° |
| N1 | C9 | H6 | 119.7° | 117.8° |
| C11 | C7 | C8 | 121.2° | 117.2° |
| C11 | C7 | O3 | 115.8° | 121.4° |
| C7 | C11 | H3 | 106.8° | 108.1° |
| C7 | C11 | H4 | 106.8° | 108.1° |
| C9 | C8 | C7 | 118.3° | 120.9° |
| C9 | C8 | H5 | 120.8° | 119.5° |
| C8 | C9 | H6 | 119.8° | 117.9° |
| C8 | C7 | O3 | 122.7° | 121.4° |
| C7 | C8 | H5 | 120.8° | 119.5° |
| C7 | O3 | C6 | 118.7° | 117.0° |
| O3 | C6 | C12 | 117.4° | 120.0° |
| O3 | C6 | C5 | 120.5° | 120.1° |
| C6 | C12 | C13 | 118.9° | 120.0° |
| C12 | C6 | C5 | 121.7° | 119.9° |
| C6 | C12 | H7 | 120.6° | 120.0° |
| C12 | C13 | C3 | 120.6° | 120.0° |
| C13 | C12 | H7 | 120.5° | 120.1° |
| C12 | C13 | H8 | 119.7° | 120.0° |
| C6 | C5 | C4 | 118.9° | 119.9° |
| C6 | C5 | H2 | 120.6° | 120.1° |
| C13 | C3 | C4 | 118.6° | 120.2° |
| C13 | C3 | C2 | 121.0° | 119.9° |
| C3 | C13 | H8 | 119.7° | 120.0° |
| C5 | C4 | C3 | 120.6° | 120.1° |
| C5 | C4 | H1 | 119.7° | 119.9° |
| C4 | C5 | H2 | 120.6° | 120.0° |
| C4 | C3 | C2 | 120.1° | 119.9° |
| C3 | C4 | H1 | 119.7° | 120.0° |
| C3 | C2 | C1 | 115.6° | 109.5° |
| C3 | C2 | H10 | 107.9° | 109.5° |
| C3 | C2 | H11 | 107.9° | 109.5° |
| C2 | C1 | O2 | 120.2° | 120.0° |
| C2 | C1 | O1 | 117.1° | 120.0° |
| C1 | C2 | H10 | 107.9° | 109.4° |
| C1 | C2 | H11 | 107.9° | 109.4° |
| O2 | C1 | O1 | 122.6° | 120.0° |
| C1 | O1 | H9 | 109.5° | 117.0° |
| H3 | C11 | H4 | 109.4° | 107.9° |
| H10 | C2 | H11 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O4 | C10 | N1 | C11 | 174.3° | 179.9° |
| O4 | C10 | N1 | C9 | 180.0° | 180.0° |
| O4 | C10 | C11 | C7 | 178.1° | 179.9° |
| O4 | C10 | C11 | H3 | 56.6° | 58.1° |
| O4 | C10 | C11 | H4 | 60.4° | 58.3° |
| N1 | C10 | C11 | C7 | 7.9° | 0.0° |
| C10 | N1 | C9 | C8 | 1.3° | 0.1° |
| N1 | C10 | C11 | H3 | 129.4° | 121.8° |
| N1 | C10 | C11 | H4 | 113.5° | 121.8° |
| C10 | N1 | C9 | H6 | 178.6° | 180.0° |
| C11 | C10 | N1 | C9 | 5.7° | 0.1° |
| C10 | C11 | C7 | H3 | 121.5° | 121.8° |
| C10 | C11 | C7 | H4 | 121.5° | 121.7° |
| C10 | C11 | C7 | C8 | 6.2° | 0.0° |
| C10 | C11 | C7 | O3 | 179.7° | 179.9° |
| C10 | C11 | H3 | H4 | 115.2° | 116.5° |
| N1 | C9 | C8 | H6 | 180.0° | 179.9° |
| N1 | C9 | C8 | C7 | 0.9° | 0.1° |
| N1 | C9 | C8 | H5 | 179.1° | 180.0° |
| C11 | C7 | C8 | C9 | 1.6° | 0.0° |
| C11 | C7 | C8 | O3 | 173.7° | 179.9° |
| C11 | C7 | O3 | C6 | 154.3° | 67.4° |
| C7 | C11 | H3 | H4 | 115.3° | 116.7° |
| C11 | C7 | C8 | H5 | 178.4° | 179.9° |
| C9 | C8 | C7 | H5 | 180.0° | 179.9° |
| C9 | C8 | C7 | O3 | 175.3° | 179.9° |
| C8 | C7 | O3 | C6 | 31.7° | 112.5° |
| C8 | C7 | C11 | H3 | 127.6° | 121.8° |
| C8 | C7 | C11 | H4 | 115.3° | 121.7° |
| C7 | C8 | C9 | H6 | 179.1° | 180.0° |
| C7 | O3 | C6 | C12 | 111.1° | 174.6° |
| C7 | O3 | C6 | C5 | 76.2° | 5.5° |
| O3 | C7 | C11 | H3 | 58.3° | 58.3° |
| O3 | C7 | C11 | H4 | 58.8° | 58.2° |
| O3 | C7 | C8 | H5 | 4.7° | 0.0° |
| O3 | C6 | C12 | C5 | 172.6° | 179.9° |
| O3 | C6 | C12 | C13 | 175.6° | 180.0° |
| O3 | C6 | C5 | C4 | 178.3° | 180.0° |
| O3 | C6 | C5 | H2 | 1.7° | 0.1° |
| O3 | C6 | C12 | H7 | 4.4° | 0.1° |
| C6 | C12 | C13 | H7 | 180.0° | 179.9° |
| C6 | C12 | C13 | C3 | 3.2° | 0.3° |
| C12 | C6 | C5 | C4 | 5.9° | 0.1° |
| C12 | C6 | C5 | H2 | 174.0° | 180.0° |
| C6 | C12 | C13 | H8 | 176.8° | 180.0° |
| C13 | C12 | C6 | C5 | 3.0° | 0.1° |
| C12 | C13 | C3 | H8 | 180.0° | 179.7° |
| C12 | C13 | C3 | C4 | 6.4° | 0.5° |
| C12 | C13 | C3 | C2 | 180.0° | 180.0° |
| C6 | C5 | C4 | H2 | 180.0° | 179.9° |
| C6 | C5 | C4 | C3 | 9.2° | 0.3° |
| C6 | C5 | C4 | H1 | 170.8° | 180.0° |
| C5 | C6 | C12 | H7 | 177.0° | 180.0° |
| C13 | C3 | C4 | C5 | 9.4° | 0.5° |
| C13 | C3 | C4 | C2 | 173.6° | 179.5° |
| C13 | C3 | C2 | C1 | 100.6° | 90.0° |
| C13 | C3 | C4 | H1 | 170.6° | 179.8° |
| C3 | C13 | C12 | H7 | 176.8° | 179.8° |
| C13 | C3 | C2 | H10 | 20.3° | 150.0° |
| C13 | C3 | C2 | H11 | 138.5° | 29.9° |
| C5 | C4 | C3 | H1 | 180.0° | 179.7° |
| C5 | C4 | C3 | C2 | 176.9° | 180.0° |
| C4 | C3 | C2 | C1 | 85.9° | 90.5° |
| C3 | C4 | C5 | H2 | 170.8° | 179.8° |
| C4 | C3 | C13 | H8 | 173.6° | 179.8° |
| C4 | C3 | C2 | H10 | 153.2° | 29.4° |
| C4 | C3 | C2 | H11 | 35.0° | 149.6° |
| C3 | C2 | C1 | H10 | 120.9° | 120.0° |
| C3 | C2 | C1 | H11 | 120.9° | 120.0° |
| C3 | C2 | C1 | O2 | 0.6° | 0.0° |
| C3 | C2 | C1 | O1 | 176.0° | 180.0° |
| C2 | C3 | C4 | H1 | 3.1° | 0.3° |
| C2 | C3 | C13 | H8 | 0.0° | 0.3° |
| C3 | C2 | H10 | H11 | 117.2° | 120.1° |
| C2 | C1 | O2 | O1 | 176.5° | 180.0° |
| C2 | C1 | O1 | H9 | 176.6° | 180.0° |
| C1 | C2 | H10 | H11 | 117.2° | 119.9° |
| O2 | C1 | O1 | H9 | 0.0° | 0.0° |
| O2 | C1 | C2 | H10 | 121.5° | 120.0° |
| O2 | C1 | C2 | H11 | 120.2° | 120.0° |
| O1 | C1 | C2 | H10 | 55.1° | 60.0° |
| O1 | C1 | C2 | H11 | 63.1° | 60.0° |
| H1 | C4 | C5 | H2 | 9.2° | 0.1° |
| H5 | C8 | C9 | H6 | 0.9° | 0.1° |
| H7 | C12 | C13 | H8 | 3.2° | 0.1° |
