GHN
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| F2 | C16 | sing | 1.40Å | 1.30Å | |
| O4 | S2 | doub | 1.42Å | 1.47Å | |
| F3 | C16 | sing | 1.40Å | 1.30Å | |
| C16 | F1 | sing | 1.40Å | 1.34Å | |
| C16 | C15 | sing | 1.53Å | 1.48Å | |
| C10 | C9 | doub | 1.38Å | 1.37Å | Aromatic |
| C10 | C11 | sing | 1.38Å | 1.39Å | Aromatic |
| S2 | O3 | doub | 1.42Å | 1.43Å | |
| S2 | N2 | sing | 1.66Å | 1.75Å | |
| S2 | C11 | sing | 1.76Å | 1.72Å | |
| C15 | C14 | sing | 1.53Å | 1.52Å | |
| C9 | C8 | sing | 1.39Å | 1.41Å | Aromatic |
| N2 | C14 | sing | 1.47Å | 1.44Å | |
| C11 | C12 | doub | 1.38Å | 1.40Å | Aromatic |
| O2 | C3 | doub | 1.21Å | 1.22Å | |
| N1 | C5 | doub | 1.29Å | 1.35Å | Aromatic |
| N1 | C6 | sing | 1.33Å | 1.35Å | Aromatic |
| C4 | C3 | sing | 1.51Å | 1.51Å | |
| C4 | C5 | sing | 1.51Å | 1.48Å | |
| C8 | C6 | sing | 1.48Å | 1.47Å | |
| C8 | C13 | doub | 1.39Å | 1.38Å | Aromatic |
| C12 | C13 | sing | 1.38Å | 1.40Å | Aromatic |
| C3 | O1 | sing | 1.34Å | 1.44Å | |
| C5 | S1 | sing | 1.71Å | 1.72Å | Aromatic |
| C6 | C7 | doub | 1.35Å | 1.39Å | Aromatic |
| O1 | C2 | sing | 1.45Å | 1.45Å | |
| C2 | C1 | sing | 1.53Å | 1.52Å | |
| C7 | S1 | sing | 1.76Å | 1.75Å | Aromatic |
| C4 | H1 | sing | 1.09Å | 1.10Å | |
| C4 | H2 | sing | 1.09Å | 1.10Å | |
| C14 | H3 | sing | 1.09Å | 1.10Å | |
| C14 | H4 | sing | 1.09Å | 1.10Å | |
| C7 | H5 | sing | 1.08Å | 1.08Å | |
| C9 | H6 | sing | 1.08Å | 1.08Å | |
| C10 | H7 | sing | 1.08Å | 1.08Å | |
| C12 | H8 | sing | 1.08Å | 1.08Å | |
| C13 | H9 | sing | 1.08Å | 1.08Å | |
| N2 | H10 | sing | 0.97Å | 1.00Å | |
| C1 | H11 | sing | 1.09Å | 1.10Å | |
| C1 | H12 | sing | 1.09Å | 1.10Å | |
| C1 | H13 | sing | 1.09Å | 1.10Å | |
| C2 | H14 | sing | 1.09Å | 1.10Å | |
| C2 | H15 | sing | 1.09Å | 1.10Å | |
| C15 | H16 | sing | 1.09Å | 1.10Å | |
| C15 | H17 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| F2 | C16 | F3 | 112.7° | 109.5° |
| F2 | C16 | F1 | 112.2° | 109.5° |
| F2 | C16 | C15 | 108.6° | 109.5° |
| O4 | S2 | O3 | 114.6° | 123.2° |
| O4 | S2 | N2 | 105.8° | 106.4° |
| O4 | S2 | C11 | 108.3° | 106.4° |
| F3 | C16 | F1 | 107.5° | 109.4° |
| F3 | C16 | C15 | 108.8° | 109.5° |
| F1 | C16 | C15 | 106.7° | 109.5° |
| C16 | C15 | C14 | 111.4° | 109.5° |
| C16 | C15 | H16 | 109.0° | 109.4° |
| C16 | C15 | H17 | 109.0° | 109.4° |
| C9 | C10 | C11 | 120.7° | 120.1° |
| C10 | C9 | C8 | 119.0° | 119.9° |
| C10 | C9 | H6 | 120.5° | 120.0° |
| C9 | C10 | H7 | 119.7° | 119.9° |
| C10 | C11 | S2 | 121.4° | 119.8° |
| C10 | C11 | C12 | 121.6° | 120.3° |
| C11 | C10 | H7 | 119.6° | 120.0° |
| O3 | S2 | N2 | 117.6° | 106.4° |
| O3 | S2 | C11 | 104.3° | 106.4° |
| N2 | S2 | C11 | 105.6° | 107.2° |
| S2 | N2 | C14 | 116.6° | 120.0° |
| S2 | N2 | H10 | 107.7° | 120.0° |
| S2 | C11 | C12 | 117.0° | 119.9° |
| C15 | C14 | N2 | 115.5° | 109.5° |
| C15 | C14 | H3 | 108.0° | 109.5° |
| C15 | C14 | H4 | 107.9° | 109.5° |
| C14 | C15 | H16 | 109.0° | 109.4° |
| C14 | C15 | H17 | 109.0° | 109.5° |
| C9 | C8 | C6 | 118.4° | 120.1° |
| C9 | C8 | C13 | 120.1° | 119.8° |
| C8 | C9 | H6 | 120.5° | 120.1° |
| N2 | C14 | H3 | 107.9° | 109.4° |
| N2 | C14 | H4 | 107.9° | 109.4° |
| C14 | N2 | H10 | 107.7° | 120.0° |
| C11 | C12 | C13 | 117.0° | 120.1° |
| C11 | C12 | H8 | 121.5° | 119.9° |
| O2 | C3 | C4 | 120.8° | 120.0° |
| O2 | C3 | O1 | 117.8° | 120.0° |
| C5 | N1 | C6 | 114.3° | 117.1° |
| N1 | C5 | C4 | 124.8° | 124.7° |
| N1 | C5 | S1 | 112.2° | 110.5° |
| N1 | C6 | C8 | 120.3° | 122.9° |
| N1 | C6 | C7 | 113.4° | 114.1° |
| C3 | C4 | C5 | 108.7° | 109.5° |
| C4 | C3 | O1 | 121.4° | 120.0° |
| C3 | C4 | H1 | 109.6° | 109.4° |
| C3 | C4 | H2 | 109.6° | 109.5° |
| C4 | C5 | S1 | 123.0° | 124.8° |
| C5 | C4 | H1 | 109.7° | 109.5° |
| C5 | C4 | H2 | 109.7° | 109.5° |
| C6 | C8 | C13 | 121.3° | 120.2° |
| C8 | C6 | C7 | 125.3° | 123.0° |
| C8 | C13 | C12 | 121.6° | 119.9° |
| C8 | C13 | H9 | 119.2° | 120.1° |
| C13 | C12 | H8 | 121.5° | 120.0° |
| C12 | C13 | H9 | 119.2° | 120.0° |
| C3 | O1 | C2 | 119.4° | 117.0° |
| C5 | S1 | C7 | 90.1° | 90.5° |
| C6 | C7 | S1 | 110.0° | 107.9° |
| C6 | C7 | H5 | 125.0° | 126.1° |
| O1 | C2 | C1 | 109.2° | 109.4° |
| O1 | C2 | H14 | 109.5° | 109.5° |
| O1 | C2 | H15 | 109.5° | 109.5° |
| C2 | C1 | H11 | 109.5° | 109.5° |
| C2 | C1 | H12 | 109.5° | 109.5° |
| C2 | C1 | H13 | 109.5° | 109.5° |
| C1 | C2 | H14 | 109.5° | 109.5° |
| C1 | C2 | H15 | 109.6° | 109.4° |
| S1 | C7 | H5 | 125.0° | 126.0° |
| H1 | C4 | H2 | 109.5° | 109.5° |
| H3 | C14 | H4 | 109.5° | 109.4° |
| H11 | C1 | H12 | 109.5° | 109.4° |
| H11 | C1 | H13 | 109.5° | 109.4° |
| H12 | C1 | H13 | 109.5° | 109.5° |
| H14 | C2 | H15 | 109.5° | 109.5° |
| H16 | C15 | H17 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F2 | C16 | F3 | F1 | 124.2° | 120.0° |
| F2 | C16 | F3 | C15 | 120.6° | 120.0° |
| F2 | C16 | F1 | C15 | 118.9° | 120.1° |
| F2 | C16 | C15 | C14 | 84.8° | 180.0° |
| F2 | C16 | C15 | H16 | 35.5° | 60.1° |
| F2 | C16 | C15 | H17 | 154.9° | 59.9° |
| O4 | S2 | C11 | C10 | 21.0° | 156.8° |
| O4 | S2 | O3 | N2 | 125.3° | 123.0° |
| O4 | S2 | O3 | C11 | 118.2° | 122.9° |
| O4 | S2 | N2 | C11 | 114.7° | 113.5° |
| O4 | S2 | N2 | C14 | 113.6° | 178.5° |
| O4 | S2 | C11 | C12 | 160.4° | 23.5° |
| O4 | S2 | N2 | H10 | 7.4° | 1.5° |
| F3 | C16 | F1 | C15 | 116.6° | 119.9° |
| F3 | C16 | C15 | C14 | 152.1° | 60.0° |
| F3 | C16 | C15 | H16 | 87.6° | 179.9° |
| F3 | C16 | C15 | H17 | 31.8° | 60.1° |
| F1 | C16 | C15 | C14 | 36.4° | 59.9° |
| F1 | C16 | C15 | H16 | 156.7° | 60.0° |
| F1 | C16 | C15 | H17 | 83.9° | 180.0° |
| C16 | C15 | C14 | H16 | 120.3° | 120.0° |
| C16 | C15 | C14 | H17 | 120.3° | 120.0° |
| C16 | C15 | C14 | N2 | 64.4° | 180.0° |
| C16 | C15 | C14 | H3 | 174.7° | 60.0° |
| C16 | C15 | C14 | H4 | 56.5° | 60.0° |
| C16 | C15 | H16 | H17 | 119.1° | 120.0° |
| C9 | C10 | C11 | H7 | 180.0° | 180.0° |
| C9 | C10 | C11 | S2 | 178.3° | 179.7° |
| C10 | C9 | C8 | H6 | 180.0° | 180.0° |
| C9 | C10 | C11 | C12 | 0.2° | 0.0° |
| C10 | C9 | C8 | C6 | 176.6° | 180.0° |
| C10 | C9 | C8 | C13 | 1.4° | 0.0° |
| C10 | C11 | S2 | O3 | 101.4° | 23.9° |
| C10 | C11 | S2 | N2 | 134.0° | 89.7° |
| C10 | C11 | S2 | C12 | 178.6° | 179.7° |
| C11 | C10 | C9 | C8 | 0.9° | 0.0° |
| C10 | C11 | C12 | C13 | 0.1° | 0.0° |
| C11 | C10 | C9 | H6 | 179.1° | 180.0° |
| C10 | C11 | C12 | H8 | 179.9° | 180.0° |
| O3 | S2 | N2 | C11 | 115.8° | 113.5° |
| O3 | S2 | N2 | C14 | 15.9° | 48.5° |
| O3 | S2 | C11 | C12 | 77.2° | 156.4° |
| O3 | S2 | N2 | H10 | 136.9° | 131.4° |
| S2 | N2 | C14 | C15 | 74.6° | 165.0° |
| S2 | N2 | C14 | H10 | 121.0° | 179.9° |
| N2 | S2 | C11 | C12 | 47.4° | 90.0° |
| S2 | N2 | C14 | H3 | 46.3° | 75.0° |
| S2 | N2 | C14 | H4 | 164.6° | 44.9° |
| C11 | S2 | N2 | C14 | 131.7° | 65.0° |
| S2 | C11 | C12 | C13 | 178.5° | 179.7° |
| S2 | C11 | C10 | H7 | 1.7° | 0.3° |
| S2 | C11 | C12 | H8 | 1.5° | 0.3° |
| C11 | S2 | N2 | H10 | 107.3° | 115.0° |
| C15 | C14 | N2 | H3 | 120.9° | 120.0° |
| C15 | C14 | N2 | H4 | 120.9° | 120.0° |
| C15 | C14 | H3 | H4 | 117.3° | 120.1° |
| C15 | C14 | N2 | H10 | 46.5° | 15.0° |
| C14 | C15 | H16 | H17 | 119.1° | 120.0° |
| C9 | C8 | C6 | N1 | 6.1° | 179.9° |
| C9 | C8 | C6 | C13 | 175.2° | 179.9° |
| C9 | C8 | C13 | C12 | 1.3° | 0.0° |
| C9 | C8 | C6 | C7 | 161.8° | 0.0° |
| C8 | C9 | C10 | H7 | 179.2° | 180.0° |
| C9 | C8 | C13 | H9 | 178.8° | 180.0° |
| N2 | C14 | H3 | H4 | 117.2° | 119.9° |
| N2 | C14 | C15 | H16 | 55.9° | 60.0° |
| N2 | C14 | C15 | H17 | 175.3° | 60.0° |
| C11 | C12 | C13 | C8 | 0.6° | 0.0° |
| C11 | C12 | C13 | H8 | 180.0° | 180.0° |
| C12 | C11 | C10 | H7 | 179.8° | 180.0° |
| C11 | C12 | C13 | H9 | 179.4° | 180.0° |
| O2 | C3 | C4 | O1 | 179.3° | 180.0° |
| O2 | C3 | C4 | C5 | 81.2° | 0.0° |
| O2 | C3 | O1 | C2 | 8.5° | 0.0° |
| O2 | C3 | C4 | H1 | 158.9° | 120.0° |
| O2 | C3 | C4 | H2 | 38.7° | 120.0° |
| N1 | C5 | C4 | C3 | 114.7° | 90.3° |
| N1 | C5 | C4 | S1 | 179.7° | 179.8° |
| C5 | N1 | C6 | C8 | 172.8° | 179.8° |
| C5 | N1 | C6 | C7 | 3.6° | 0.1° |
| N1 | C5 | S1 | C7 | 1.1° | 0.2° |
| N1 | C5 | C4 | H1 | 125.4° | 149.8° |
| N1 | C5 | C4 | H2 | 5.1° | 29.8° |
| C6 | N1 | C5 | C4 | 179.0° | 180.0° |
| N1 | C6 | C8 | C7 | 167.9° | 179.8° |
| N1 | C6 | C8 | C13 | 178.7° | 0.2° |
| C6 | N1 | C5 | S1 | 1.2° | 0.2° |
| N1 | C6 | C7 | S1 | 4.2° | 0.1° |
| N1 | C6 | C7 | H5 | 175.7° | 179.8° |
| C3 | C4 | C5 | H1 | 119.9° | 119.9° |
| C3 | C4 | C5 | H2 | 119.9° | 120.0° |
| C3 | C4 | C5 | S1 | 65.5° | 90.0° |
| C4 | C3 | O1 | C2 | 172.2° | 180.0° |
| C3 | C4 | H1 | H2 | 120.3° | 120.0° |
| C5 | C4 | C3 | O1 | 98.1° | 180.0° |
| C4 | C5 | S1 | C7 | 178.7° | 180.0° |
| C5 | C4 | H1 | H2 | 120.4° | 120.0° |
| C6 | C8 | C13 | C12 | 176.4° | 180.0° |
| C8 | C6 | C7 | S1 | 172.9° | 180.0° |
| C8 | C6 | C7 | H5 | 7.1° | 0.0° |
| C6 | C8 | C9 | H6 | 3.4° | 0.0° |
| C6 | C8 | C13 | H9 | 3.6° | 0.0° |
| C8 | C13 | C12 | H9 | 180.0° | 180.0° |
| C13 | C8 | C6 | C7 | 13.4° | 180.0° |
| C13 | C8 | C9 | H6 | 178.6° | 180.0° |
| C8 | C13 | C12 | H8 | 179.4° | 180.0° |
| C3 | O1 | C2 | C1 | 149.1° | 180.0° |
| O1 | C3 | C4 | H1 | 21.8° | 60.0° |
| O1 | C3 | C4 | H2 | 142.0° | 60.0° |
| C3 | O1 | C2 | H14 | 90.9° | 60.0° |
| C3 | O1 | C2 | H15 | 29.2° | 60.0° |
| C5 | S1 | C7 | C6 | 3.0° | 0.2° |
| S1 | C5 | C4 | H1 | 54.3° | 30.0° |
| S1 | C5 | C4 | H2 | 174.6° | 150.0° |
| C5 | S1 | C7 | H5 | 177.0° | 179.8° |
| C6 | C7 | S1 | H5 | 180.0° | 179.9° |
| O1 | C2 | C1 | H14 | 119.9° | 120.0° |
| O1 | C2 | C1 | H15 | 119.9° | 120.0° |
| O1 | C2 | C1 | H11 | 180.0° | 180.0° |
| O1 | C2 | C1 | H12 | 60.0° | 60.1° |
| O1 | C2 | C1 | H13 | 60.0° | 60.0° |
| O1 | C2 | H14 | H15 | 120.1° | 120.0° |
| C2 | C1 | H11 | H12 | 120.0° | 120.0° |
| C2 | C1 | H11 | H13 | 120.0° | 120.0° |
| C2 | C1 | H12 | H13 | 120.0° | 120.1° |
| C1 | C2 | H14 | H15 | 120.2° | 120.0° |
| H3 | C14 | N2 | H10 | 167.4° | 105.1° |
| H3 | C14 | C15 | H16 | 64.9° | 180.0° |
| H3 | C14 | C15 | H17 | 54.5° | 60.0° |
| H4 | C14 | N2 | H10 | 74.4° | 135.0° |
| H4 | C14 | C15 | H16 | 176.8° | 60.0° |
| H4 | C14 | C15 | H17 | 63.8° | 180.0° |
| H6 | C9 | C10 | H7 | 0.8° | 0.0° |
| H8 | C12 | C13 | H9 | 0.6° | 0.0° |
| H11 | C1 | H12 | H13 | 120.0° | 119.9° |
| H11 | C1 | C2 | H14 | 60.1° | 60.0° |
| H11 | C1 | C2 | H15 | 60.1° | 60.0° |
| H12 | C1 | C2 | H14 | 179.9° | 60.0° |
| H12 | C1 | C2 | H15 | 60.0° | 180.0° |
| H13 | C1 | C2 | H14 | 59.9° | 179.9° |
| H13 | C1 | C2 | H15 | 179.9° | 59.9° |
