GH4
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N23 | C24 | doub | 1.29Å | 1.30Å | |
| C24 | C25 | sing | 1.48Å | 1.42Å | |
| N26 | C25 | doub | 1.33Å | 1.35Å | Aromatic |
| N26 | C27 | sing | 1.32Å | 1.32Å | Aromatic |
| C25 | N22 | sing | 1.33Å | 1.35Å | Aromatic |
| C27 | C28 | doub | 1.38Å | 1.35Å | Aromatic |
| N22 | C21 | doub | 1.33Å | 1.31Å | Aromatic |
| C28 | C21 | sing | 1.40Å | 1.47Å | Aromatic |
| C28 | F29 | sing | 1.35Å | 1.38Å | |
| C21 | N20 | sing | 1.39Å | 1.32Å | |
| C18 | C19 | sing | 1.53Å | 1.61Å | |
| C18 | O17 | sing | 1.43Å | 1.34Å | |
| C19 | N20 | sing | 1.47Å | 1.54Å | |
| N20 | C10 | sing | 1.47Å | 1.49Å | |
| O17 | C16 | sing | 1.36Å | 1.42Å | |
| C15 | C16 | doub | 1.39Å | 1.44Å | Aromatic |
| C15 | C14 | sing | 1.38Å | 1.36Å | Aromatic |
| C16 | C11 | sing | 1.39Å | 1.38Å | Aromatic |
| C10 | C9 | sing | 1.51Å | 1.49Å | |
| C1 | C9 | doub | 1.38Å | 1.44Å | Aromatic |
| C1 | C2 | sing | 1.38Å | 1.40Å | Aromatic |
| C14 | C13 | doub | 1.38Å | 1.32Å | Aromatic |
| C9 | C8 | sing | 1.38Å | 1.31Å | Aromatic |
| C2 | C3 | doub | 1.39Å | 1.36Å | Aromatic |
| C11 | C12 | doub | 1.38Å | 1.40Å | Aromatic |
| C8 | C7 | doub | 1.39Å | 1.42Å | Aromatic |
| C3 | C7 | sing | 1.39Å | 1.42Å | Aromatic |
| C3 | O4 | sing | 1.37Å | 1.37Å | |
| C13 | C12 | sing | 1.38Å | 1.39Å | Aromatic |
| C7 | O6 | sing | 1.37Å | 1.37Å | |
| O4 | C5 | sing | 1.44Å | 1.42Å | |
| O6 | C5 | sing | 1.44Å | 1.42Å | |
| C2 | H1 | sing | 1.08Å | 1.08Å | |
| C5 | H2 | sing | 1.09Å | 1.10Å | |
| C5 | H3 | sing | 1.09Å | 1.10Å | |
| C10 | H4 | sing | 1.09Å | 1.10Å | |
| C10 | H5 | sing | 1.09Å | 1.10Å | |
| C11 | H6 | sing | 1.08Å | 1.08Å | |
| C12 | H7 | sing | 1.08Å | 1.08Å | |
| C13 | H8 | sing | 1.08Å | 1.08Å | |
| C14 | H9 | sing | 1.08Å | 1.08Å | |
| C1 | H10 | sing | 1.08Å | 1.08Å | |
| C8 | H11 | sing | 1.08Å | 1.08Å | |
| C15 | H12 | sing | 1.08Å | 1.08Å | |
| C18 | H13 | sing | 1.09Å | 1.10Å | |
| C18 | H14 | sing | 1.09Å | 1.10Å | |
| C19 | H15 | sing | 1.09Å | 1.10Å | |
| C19 | H16 | sing | 1.09Å | 1.10Å | |
| N23 | H17 | sing | 0.97Å | 1.00Å | |
| C24 | H18 | sing | 1.08Å | 1.08Å | |
| C27 | H19 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N23 | C24 | C25 | 121.7° | 120.0° |
| C24 | N23 | H17 | 112.0° | 120.0° |
| N23 | C24 | H18 | 119.2° | 120.0° |
| C24 | C25 | N26 | 118.4° | 119.2° |
| C24 | C25 | N22 | 117.5° | 119.1° |
| C25 | C24 | H18 | 119.2° | 120.0° |
| C25 | N26 | C27 | 112.5° | 121.0° |
| N26 | C25 | N22 | 124.1° | 121.7° |
| N26 | C27 | C28 | 128.6° | 119.3° |
| N26 | C27 | H19 | 115.7° | 120.3° |
| C25 | N22 | C21 | 124.4° | 120.6° |
| C27 | C28 | C21 | 116.4° | 118.4° |
| C27 | C28 | F29 | 122.6° | 120.8° |
| C28 | C27 | H19 | 115.7° | 120.4° |
| N22 | C21 | C28 | 113.9° | 119.0° |
| N22 | C21 | N20 | 119.2° | 120.5° |
| C21 | C28 | F29 | 121.0° | 120.8° |
| C28 | C21 | N20 | 126.9° | 120.5° |
| C21 | N20 | C19 | 116.3° | 111.0° |
| C21 | N20 | C10 | 128.3° | 111.0° |
| C19 | C18 | O17 | 106.2° | 109.4° |
| C18 | C19 | N20 | 114.9° | 109.5° |
| C19 | C18 | H13 | 110.3° | 109.5° |
| C19 | C18 | H14 | 110.2° | 109.4° |
| C18 | C19 | H15 | 108.1° | 109.5° |
| C18 | C19 | H16 | 108.1° | 109.5° |
| C18 | O17 | C16 | 122.9° | 117.0° |
| O17 | C18 | H13 | 110.3° | 109.5° |
| O17 | C18 | H14 | 110.3° | 109.4° |
| C19 | N20 | C10 | 114.9° | 111.0° |
| N20 | C19 | H15 | 108.1° | 109.5° |
| N20 | C19 | H16 | 108.1° | 109.4° |
| N20 | C10 | C9 | 109.1° | 109.5° |
| N20 | C10 | H4 | 109.6° | 109.4° |
| N20 | C10 | H5 | 109.6° | 109.5° |
| O17 | C16 | C15 | 123.3° | 120.0° |
| O17 | C16 | C11 | 112.8° | 120.1° |
| C16 | C15 | C14 | 115.4° | 119.9° |
| C15 | C16 | C11 | 123.4° | 119.9° |
| C16 | C15 | H12 | 122.3° | 120.1° |
| C15 | C14 | C13 | 119.0° | 120.1° |
| C15 | C14 | H9 | 120.5° | 120.0° |
| C14 | C15 | H12 | 122.3° | 120.0° |
| C16 | C11 | C12 | 118.9° | 119.9° |
| C16 | C11 | H6 | 120.5° | 120.0° |
| C10 | C9 | C1 | 123.6° | 119.9° |
| C10 | C9 | C8 | 122.0° | 119.9° |
| C9 | C10 | H4 | 109.6° | 109.5° |
| C9 | C10 | H5 | 109.6° | 109.5° |
| C9 | C1 | C2 | 127.6° | 120.1° |
| C1 | C9 | C8 | 114.4° | 120.2° |
| C9 | C1 | H10 | 116.2° | 119.9° |
| C1 | C2 | C3 | 116.0° | 120.0° |
| C1 | C2 | H1 | 122.0° | 120.0° |
| C2 | C1 | H10 | 116.2° | 119.9° |
| C14 | C13 | C12 | 128.6° | 120.1° |
| C14 | C13 | H8 | 115.7° | 120.0° |
| C13 | C14 | H9 | 120.5° | 119.9° |
| C9 | C8 | C7 | 120.3° | 120.0° |
| C9 | C8 | H11 | 119.9° | 120.0° |
| C2 | C3 | C7 | 117.3° | 119.9° |
| C2 | C3 | O4 | 134.3° | 131.5° |
| C3 | C2 | H1 | 122.0° | 120.0° |
| C11 | C12 | C13 | 113.7° | 120.1° |
| C12 | C11 | H6 | 120.6° | 120.1° |
| C11 | C12 | H7 | 123.2° | 119.9° |
| C8 | C7 | C3 | 124.1° | 119.8° |
| C8 | C7 | O6 | 131.6° | 131.5° |
| C7 | C8 | H11 | 119.9° | 120.0° |
| C7 | C3 | O4 | 108.2° | 108.7° |
| C3 | C7 | O6 | 104.1° | 108.6° |
| C3 | O4 | C5 | 105.1° | 105.4° |
| C13 | C12 | H7 | 123.1° | 120.0° |
| C12 | C13 | H8 | 115.7° | 119.9° |
| C7 | O6 | C5 | 108.6° | 105.5° |
| O4 | C5 | O6 | 100.0° | 103.8° |
| O4 | C5 | H2 | 111.8° | 110.5° |
| O4 | C5 | H3 | 111.8° | 110.6° |
| O6 | C5 | H2 | 111.8° | 110.5° |
| O6 | C5 | H3 | 111.8° | 110.7° |
| H2 | C5 | H3 | 109.5° | 110.6° |
| H4 | C10 | H5 | 109.5° | 109.5° |
| H13 | C18 | H14 | 109.5° | 109.5° |
| H15 | C19 | H16 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N23 | C24 | C25 | H18 | 180.0° | 180.0° |
| N23 | C24 | C25 | N26 | 1.4° | 0.0° |
| N23 | C24 | C25 | N22 | 179.3° | 180.0° |
| C24 | C25 | N26 | N22 | 179.3° | 179.9° |
| C24 | C25 | N26 | C27 | 178.9° | 179.7° |
| C24 | C25 | N22 | C21 | 179.1° | 180.0° |
| C25 | C24 | N23 | H17 | 0.0° | 0.0° |
| C25 | N26 | C27 | C28 | 1.3° | 0.2° |
| N26 | C25 | N22 | C21 | 1.6° | 0.0° |
| N26 | C25 | C24 | H18 | 178.6° | 180.0° |
| C25 | N26 | C27 | H19 | 178.8° | 180.0° |
| C27 | N26 | C25 | N22 | 0.4° | 0.2° |
| N26 | C27 | C28 | H19 | 180.0° | 179.8° |
| N26 | C27 | C28 | C21 | 0.3° | 0.0° |
| N26 | C27 | C28 | F29 | 179.3° | 180.0° |
| C25 | N22 | C21 | C28 | 2.5° | 0.3° |
| C25 | N22 | C21 | N20 | 178.9° | 180.0° |
| N22 | C25 | C24 | H18 | 0.8° | 0.1° |
| C27 | C28 | C21 | N22 | 1.6° | 0.3° |
| C27 | C28 | C21 | F29 | 179.1° | 179.9° |
| C27 | C28 | C21 | N20 | 177.7° | 180.0° |
| N22 | C21 | C28 | N20 | 176.1° | 179.7° |
| N22 | C21 | C28 | F29 | 177.5° | 179.8° |
| N22 | C21 | N20 | C19 | 1.9° | 56.1° |
| N22 | C21 | N20 | C10 | 169.7° | 67.9° |
| C28 | C21 | N20 | C19 | 174.0° | 123.6° |
| C28 | C21 | N20 | C10 | 14.4° | 112.4° |
| C21 | C28 | C27 | H19 | 179.7° | 179.7° |
| F29 | C28 | C21 | N20 | 1.4° | 0.1° |
| F29 | C28 | C27 | H19 | 0.7° | 0.2° |
| C21 | N20 | C19 | C18 | 67.4° | 163.6° |
| C21 | N20 | C19 | C10 | 172.7° | 124.0° |
| C21 | N20 | C10 | C9 | 98.1° | 73.2° |
| C21 | N20 | C10 | H4 | 141.9° | 46.8° |
| C21 | N20 | C10 | H5 | 21.8° | 166.8° |
| C21 | N20 | C19 | H15 | 53.4° | 76.4° |
| C21 | N20 | C19 | H16 | 171.8° | 43.5° |
| C19 | C18 | O17 | H13 | 119.5° | 120.0° |
| C19 | C18 | O17 | H14 | 119.5° | 119.9° |
| C18 | C19 | N20 | H15 | 120.8° | 120.0° |
| C18 | C19 | N20 | H16 | 120.8° | 120.1° |
| C18 | C19 | N20 | C10 | 105.3° | 72.4° |
| C19 | C18 | O17 | C16 | 76.9° | 175.2° |
| C19 | C18 | H13 | H14 | 121.5° | 120.0° |
| C18 | C19 | H15 | H16 | 117.5° | 120.1° |
| O17 | C18 | C19 | N20 | 87.7° | 64.1° |
| C18 | O17 | C16 | C15 | 5.6° | 174.4° |
| C18 | O17 | C16 | C11 | 166.6° | 6.2° |
| O17 | C18 | H13 | H14 | 121.5° | 120.0° |
| O17 | C18 | C19 | H15 | 151.5° | 175.9° |
| O17 | C18 | C19 | H16 | 33.1° | 55.9° |
| C19 | N20 | C10 | C9 | 90.2° | 162.8° |
| C19 | N20 | C10 | H4 | 29.8° | 77.2° |
| C19 | N20 | C10 | H5 | 149.9° | 42.8° |
| N20 | C19 | C18 | H13 | 152.9° | 55.9° |
| N20 | C19 | C18 | H14 | 31.8° | 176.0° |
| N20 | C19 | H15 | H16 | 117.5° | 119.9° |
| N20 | C10 | C9 | H4 | 120.0° | 119.9° |
| N20 | C10 | C9 | H5 | 119.9° | 120.0° |
| N20 | C10 | C9 | C1 | 83.6° | 96.7° |
| N20 | C10 | C9 | C8 | 96.9° | 84.1° |
| N20 | C10 | H4 | H5 | 120.2° | 120.0° |
| C10 | N20 | C19 | H15 | 133.9° | 47.6° |
| C10 | N20 | C19 | H16 | 15.5° | 167.5° |
| O17 | C16 | C15 | C11 | 171.4° | 179.4° |
| O17 | C16 | C15 | C14 | 177.8° | 180.0° |
| O17 | C16 | C11 | C12 | 177.8° | 179.9° |
| O17 | C16 | C11 | H6 | 2.3° | 0.3° |
| O17 | C16 | C15 | H12 | 2.2° | 0.5° |
| C16 | O17 | C18 | H13 | 42.6° | 55.1° |
| C16 | O17 | C18 | H14 | 163.6° | 64.9° |
| C16 | C15 | C14 | H12 | 180.0° | 179.5° |
| C16 | C15 | C14 | C13 | 7.4° | 0.3° |
| C15 | C16 | C11 | C12 | 5.6° | 0.5° |
| C15 | C16 | C11 | H6 | 174.5° | 179.7° |
| C16 | C15 | C14 | H9 | 172.6° | 179.7° |
| C14 | C15 | C16 | C11 | 10.8° | 0.6° |
| C15 | C14 | C13 | H9 | 180.0° | 180.0° |
| C15 | C14 | C13 | C12 | 0.9° | 0.0° |
| C15 | C14 | C13 | H8 | 179.1° | 180.0° |
| C16 | C11 | C12 | H6 | 180.0° | 179.7° |
| C16 | C11 | C12 | C13 | 2.7° | 0.2° |
| C16 | C11 | C12 | H7 | 177.3° | 179.7° |
| C11 | C16 | C15 | H12 | 169.2° | 179.9° |
| C10 | C9 | C1 | C8 | 179.5° | 179.2° |
| C10 | C9 | C1 | C2 | 176.6° | 179.7° |
| C10 | C9 | C8 | C7 | 176.5° | 180.0° |
| C9 | C10 | H4 | H5 | 120.2° | 120.1° |
| C10 | C9 | C1 | H10 | 3.4° | 0.3° |
| C10 | C9 | C8 | H11 | 3.5° | 0.9° |
| C9 | C1 | C2 | H10 | 180.0° | 180.0° |
| C9 | C1 | C2 | C3 | 3.7° | 0.1° |
| C1 | C9 | C8 | C7 | 4.0° | 0.8° |
| C9 | C1 | C2 | H1 | 176.3° | 179.8° |
| C1 | C9 | C10 | H4 | 156.4° | 23.2° |
| C1 | C9 | C10 | H5 | 36.3° | 143.2° |
| C1 | C9 | C8 | H11 | 176.0° | 180.0° |
| C2 | C1 | C9 | C8 | 3.9° | 0.5° |
| C1 | C2 | C3 | H1 | 180.0° | 179.7° |
| C1 | C2 | C3 | C7 | 3.6° | 0.3° |
| C1 | C2 | C3 | O4 | 178.7° | 179.7° |
| C14 | C13 | C12 | C11 | 6.3° | 0.0° |
| C14 | C13 | C12 | H8 | 180.0° | 180.0° |
| C14 | C13 | C12 | H7 | 173.7° | 179.9° |
| C13 | C14 | C15 | H12 | 172.6° | 179.8° |
| C9 | C8 | C7 | H11 | 180.0° | 179.1° |
| C9 | C8 | C7 | C3 | 4.7° | 0.6° |
| C9 | C8 | C7 | O6 | 178.4° | 179.4° |
| C8 | C9 | C10 | H4 | 23.1° | 156.0° |
| C8 | C9 | C10 | H5 | 143.2° | 35.9° |
| C8 | C9 | C1 | H10 | 176.1° | 179.4° |
| C2 | C3 | C7 | C8 | 4.3° | 0.0° |
| C2 | C3 | C7 | O4 | 176.3° | 180.0° |
| C2 | C3 | C7 | O6 | 179.5° | 180.0° |
| C2 | C3 | O4 | C5 | 158.6° | 162.7° |
| C3 | C2 | C1 | H10 | 176.3° | 180.0° |
| C11 | C12 | C13 | H7 | 180.0° | 179.9° |
| C11 | C12 | C13 | H8 | 173.7° | 180.0° |
| C8 | C7 | C3 | O6 | 175.2° | 180.0° |
| C8 | C7 | C3 | O4 | 179.4° | 180.0° |
| C8 | C7 | O6 | C5 | 155.1° | 162.7° |
| C7 | C3 | O4 | C5 | 26.0° | 17.3° |
| C3 | C7 | O6 | C5 | 19.6° | 17.3° |
| C7 | C3 | C2 | H1 | 176.4° | 180.0° |
| C3 | C7 | C8 | H11 | 175.4° | 179.7° |
| O4 | C3 | C7 | O6 | 4.2° | 0.0° |
| C3 | O4 | C5 | O6 | 36.0° | 27.1° |
| O4 | C3 | C2 | H1 | 1.4° | 0.1° |
| C3 | O4 | C5 | H2 | 82.5° | 145.6° |
| C3 | O4 | C5 | H3 | 154.5° | 91.6° |
| C13 | C12 | C11 | H6 | 177.3° | 180.0° |
| C12 | C13 | C14 | H9 | 179.1° | 180.0° |
| C7 | O6 | C5 | O4 | 34.5° | 27.1° |
| C7 | O6 | C5 | H2 | 83.9° | 145.6° |
| C7 | O6 | C5 | H3 | 153.0° | 91.5° |
| O6 | C7 | C8 | H11 | 1.6° | 0.3° |
| O4 | C5 | O6 | H2 | 118.4° | 118.5° |
| O4 | C5 | O6 | H3 | 118.5° | 118.6° |
| O4 | C5 | H2 | H3 | 124.4° | 122.7° |
| O6 | C5 | H2 | H3 | 124.4° | 122.9° |
| H1 | C2 | C1 | H10 | 3.7° | 0.3° |
| H6 | C11 | C12 | H7 | 2.7° | 0.1° |
| H7 | C12 | C13 | H8 | 6.3° | 0.1° |
| H8 | C13 | C14 | H9 | 0.9° | 0.0° |
| H9 | C14 | C15 | H12 | 7.4° | 0.3° |
| H13 | C18 | C19 | H15 | 32.1° | 64.1° |
| H13 | C18 | C19 | H16 | 86.3° | 175.9° |
| H14 | C18 | C19 | H15 | 89.0° | 56.0° |
| H14 | C18 | C19 | H16 | 152.6° | 64.0° |
| H17 | N23 | C24 | H18 | 180.0° | 180.0° |
