HGZ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C2 | C1 | doub | 1.40Å | 1.39Å | Aromatic |
| C6 | C1 | sing | 1.38Å | 1.39Å | Aromatic |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C3 | C2 | sing | 1.41Å | 1.50Å | Aromatic |
| C2 | C7 | sing | 1.46Å | 1.48Å | |
| N10 | C3 | sing | 1.38Å | 1.33Å | |
| C4 | C3 | doub | 1.39Å | 1.46Å | Aromatic |
| O13 | C4 | sing | 1.36Å | 1.37Å | |
| C4 | C5 | sing | 1.39Å | 1.47Å | Aromatic |
| O15 | C5 | sing | 1.36Å | 1.39Å | |
| C5 | C6 | doub | 1.40Å | 1.50Å | Aromatic |
| C6 | O17 | sing | 1.36Å | 1.35Å | |
| C8 | C7 | doub | 1.36Å | 1.41Å | |
| C7 | C12 | sing | 1.51Å | 1.54Å | |
| C9 | C8 | sing | 1.41Å | 1.42Å | |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| O11 | C9 | doub | 1.22Å | 1.25Å | |
| N10 | C9 | sing | 1.34Å | 1.35Å | |
| N10 | HN10 | sing | 0.97Å | 1.00Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| C12 | H12A | sing | 1.09Å | 1.10Å | |
| C12 | H12B | sing | 1.09Å | 1.10Å | |
| O13 | C14 | sing | 1.43Å | 1.43Å | |
| C14 | H14 | sing | 1.09Å | 1.10Å | |
| C14 | H14A | sing | 1.09Å | 1.10Å | |
| C14 | H14B | sing | 1.09Å | 1.10Å | |
| C16 | O15 | sing | 1.43Å | 1.44Å | |
| C16 | H16 | sing | 1.09Å | 1.10Å | |
| C16 | H16A | sing | 1.09Å | 1.10Å | |
| C16 | H16B | sing | 1.09Å | 1.10Å | |
| O17 | C18 | sing | 1.43Å | 1.42Å | |
| C18 | H18 | sing | 1.09Å | 1.10Å | |
| C18 | H18A | sing | 1.09Å | 1.10Å | |
| C18 | H18B | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C6 | 119.4° | 119.8° |
| C2 | C1 | H1 | 120.3° | 120.1° |
| C1 | C2 | C3 | 120.0° | 120.0° |
| C1 | C2 | C7 | 121.5° | 121.1° |
| C6 | C1 | H1 | 120.3° | 120.1° |
| C1 | C6 | C5 | 124.3° | 120.3° |
| C1 | C6 | O17 | 114.7° | 119.9° |
| C3 | C2 | C7 | 118.5° | 118.9° |
| C2 | C3 | N10 | 120.3° | 119.6° |
| C2 | C3 | C4 | 121.7° | 119.6° |
| C2 | C7 | C8 | 116.0° | 118.6° |
| C2 | C7 | C12 | 121.6° | 120.7° |
| N10 | C3 | C4 | 118.1° | 120.8° |
| C3 | N10 | C9 | 121.2° | 120.9° |
| C3 | N10 | HN10 | 119.4° | 119.6° |
| C3 | C4 | O13 | 121.5° | 120.1° |
| C3 | C4 | C5 | 117.1° | 119.9° |
| O13 | C4 | C5 | 121.4° | 120.0° |
| C4 | O13 | C14 | 121.7° | 117.0° |
| C4 | C5 | O15 | 120.5° | 119.8° |
| C4 | C5 | C6 | 117.4° | 120.5° |
| O15 | C5 | C6 | 122.1° | 119.7° |
| C5 | O15 | C16 | 126.8° | 117.0° |
| C5 | C6 | O17 | 121.0° | 119.8° |
| C6 | O17 | C18 | 115.2° | 117.0° |
| C8 | C7 | C12 | 122.4° | 120.7° |
| C7 | C8 | C9 | 121.0° | 120.3° |
| C7 | C8 | H8 | 119.5° | 119.8° |
| C7 | C12 | H12 | 109.5° | 109.5° |
| C7 | C12 | H12A | 109.4° | 109.4° |
| C7 | C12 | H12B | 109.5° | 109.5° |
| C9 | C8 | H8 | 119.5° | 119.9° |
| C8 | C9 | O11 | 121.1° | 119.2° |
| C8 | C9 | N10 | 123.0° | 121.6° |
| O11 | C9 | N10 | 115.9° | 119.2° |
| C9 | N10 | HN10 | 119.4° | 119.5° |
| H12 | C12 | H12A | 109.5° | 109.5° |
| H12 | C12 | H12B | 109.4° | 109.5° |
| H12A | C12 | H12B | 109.5° | 109.5° |
| O13 | C14 | H14 | 109.5° | 109.4° |
| O13 | C14 | H14A | 109.5° | 109.5° |
| O13 | C14 | H14B | 109.5° | 109.4° |
| H14 | C14 | H14A | 109.4° | 109.5° |
| H14 | C14 | H14B | 109.5° | 109.5° |
| H14A | C14 | H14B | 109.5° | 109.5° |
| O15 | C16 | H16 | 109.5° | 109.5° |
| O15 | C16 | H16A | 109.5° | 109.5° |
| O15 | C16 | H16B | 109.4° | 109.5° |
| H16 | C16 | H16A | 109.4° | 109.5° |
| H16 | C16 | H16B | 109.5° | 109.4° |
| H16A | C16 | H16B | 109.5° | 109.5° |
| O17 | C18 | H18 | 109.5° | 109.5° |
| O17 | C18 | H18A | 109.5° | 109.5° |
| O17 | C18 | H18B | 109.5° | 109.5° |
| H18 | C18 | H18A | 109.4° | 109.5° |
| H18 | C18 | H18B | 109.5° | 109.5° |
| H18A | C18 | H18B | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C6 | H1 | 180.0° | 179.7° |
| C1 | C2 | C3 | C7 | 179.4° | 180.0° |
| C1 | C2 | C3 | N10 | 180.0° | 180.0° |
| C1 | C2 | C3 | C4 | 1.5° | 0.0° |
| C2 | C1 | C6 | C5 | 1.6° | 0.5° |
| C2 | C1 | C6 | O17 | 179.7° | 180.0° |
| C1 | C2 | C7 | C8 | 179.8° | 180.0° |
| C1 | C2 | C7 | C12 | 0.9° | 0.0° |
| C6 | C1 | C2 | C3 | 1.9° | 0.2° |
| C6 | C1 | C2 | C7 | 178.6° | 179.7° |
| C1 | C6 | C5 | C4 | 0.7° | 0.5° |
| C1 | C6 | C5 | O15 | 178.4° | 179.7° |
| C1 | C6 | C5 | O17 | 178.6° | 179.5° |
| C1 | C6 | O17 | C18 | 1.2° | 0.5° |
| H1 | C1 | C2 | C3 | 178.0° | 179.9° |
| H1 | C1 | C2 | C7 | 1.4° | 0.0° |
| H1 | C1 | C6 | C5 | 178.4° | 179.8° |
| H1 | C1 | C6 | O17 | 0.3° | 0.3° |
| C2 | C3 | N10 | C4 | 178.6° | 180.0° |
| C2 | C3 | C4 | O13 | 178.6° | 179.9° |
| C2 | C3 | C4 | C5 | 0.6° | 0.0° |
| C3 | C2 | C7 | C8 | 0.4° | 0.0° |
| C3 | C2 | C7 | C12 | 179.7° | 180.0° |
| C2 | C3 | N10 | C9 | 0.3° | 0.0° |
| C2 | C3 | N10 | HN10 | 179.7° | 180.0° |
| C7 | C2 | C3 | N10 | 0.5° | 0.0° |
| C7 | C2 | C3 | C4 | 179.0° | 180.0° |
| C2 | C7 | C8 | C12 | 179.3° | 180.0° |
| C2 | C7 | C8 | C9 | 0.0° | 0.0° |
| C2 | C7 | C8 | H8 | 180.0° | 180.0° |
| C2 | C7 | C12 | H12 | 180.0° | 90.0° |
| C2 | C7 | C12 | H12A | 60.0° | 150.0° |
| C2 | C7 | C12 | H12B | 60.0° | 30.0° |
| N10 | C3 | C4 | O13 | 0.1° | 0.1° |
| N10 | C3 | C4 | C5 | 179.2° | 180.0° |
| C3 | N10 | C9 | C8 | 0.1° | 0.0° |
| C3 | N10 | C9 | O11 | 179.8° | 180.0° |
| C3 | N10 | C9 | HN10 | 180.0° | 180.0° |
| C3 | C4 | O13 | C5 | 179.2° | 179.9° |
| C3 | C4 | C5 | O15 | 178.9° | 180.0° |
| C3 | C4 | C5 | C6 | 0.2° | 0.3° |
| C4 | C3 | N10 | C9 | 178.8° | 180.0° |
| C4 | C3 | N10 | HN10 | 1.1° | 0.0° |
| C3 | C4 | O13 | C14 | 73.3° | 91.9° |
| O13 | C4 | C5 | O15 | 1.8° | 0.1° |
| O13 | C4 | C5 | C6 | 179.0° | 179.8° |
| C4 | O13 | C14 | H14 | 180.0° | 177.5° |
| C4 | O13 | C14 | H14A | 60.0° | 57.5° |
| C4 | O13 | C14 | H14B | 60.0° | 62.5° |
| C4 | C5 | O15 | C6 | 179.1° | 179.8° |
| C4 | C5 | C6 | O17 | 179.3° | 180.0° |
| C5 | C4 | O13 | C14 | 107.5° | 88.0° |
| C4 | C5 | O15 | C16 | 37.9° | 89.4° |
| O15 | C5 | C6 | O17 | 0.2° | 0.2° |
| C5 | O15 | C16 | H16 | 180.0° | 177.0° |
| C5 | O15 | C16 | H16A | 60.0° | 62.9° |
| C5 | O15 | C16 | H16B | 60.0° | 57.1° |
| C6 | C5 | O15 | C16 | 143.0° | 90.3° |
| C5 | C6 | O17 | C18 | 177.6° | 180.0° |
| C6 | O17 | C18 | H18 | 180.0° | 60.0° |
| C6 | O17 | C18 | H18A | 60.0° | 60.0° |
| C6 | O17 | C18 | H18B | 60.0° | 180.0° |
| C7 | C8 | C9 | H8 | 180.0° | 180.0° |
| C7 | C8 | C9 | O11 | 179.9° | 180.0° |
| C7 | C8 | C9 | N10 | 0.3° | 0.0° |
| C8 | C7 | C12 | H12 | 0.8° | 90.0° |
| C8 | C7 | C12 | H12A | 120.8° | 30.0° |
| C8 | C7 | C12 | H12B | 119.2° | 150.0° |
| C12 | C7 | C8 | C9 | 179.3° | 180.0° |
| C12 | C7 | C8 | H8 | 0.7° | 0.0° |
| C7 | C12 | H12 | H12A | 120.0° | 120.0° |
| C7 | C12 | H12 | H12B | 120.0° | 120.0° |
| C7 | C12 | H12A | H12B | 120.0° | 120.0° |
| C8 | C9 | O11 | N10 | 179.7° | 180.0° |
| C8 | C9 | N10 | HN10 | 179.9° | 180.0° |
| H8 | C8 | C9 | O11 | 0.1° | 0.0° |
| H8 | C8 | C9 | N10 | 179.7° | 180.0° |
| O11 | C9 | N10 | HN10 | 0.2° | 0.0° |
| H12 | C12 | H12A | H12B | 120.0° | 120.0° |
| O13 | C14 | H14 | H14A | 120.0° | 120.0° |
| O13 | C14 | H14 | H14B | 120.0° | 119.9° |
| O13 | C14 | H14A | H14B | 120.0° | 120.0° |
| H14 | C14 | H14A | H14B | 120.0° | 120.0° |
| O15 | C16 | H16 | H16A | 120.0° | 120.0° |
| O15 | C16 | H16 | H16B | 120.0° | 120.0° |
| O15 | C16 | H16A | H16B | 120.0° | 120.0° |
| H16 | C16 | H16A | H16B | 120.0° | 119.9° |
| O17 | C18 | H18 | H18A | 120.0° | 120.0° |
| O17 | C18 | H18 | H18B | 120.0° | 120.0° |
| O17 | C18 | H18A | H18B | 120.0° | 120.0° |
| H18 | C18 | H18A | H18B | 120.0° | 120.0° |
