GH2
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| F2 | C17 | sing | 1.40Å | 1.32Å | |
| F1 | C17 | sing | 1.40Å | 1.30Å | |
| O3 | C14 | doub | 1.22Å | 1.25Å | |
| C17 | F3 | sing | 1.40Å | 1.33Å | |
| C17 | C16 | sing | 1.53Å | 1.52Å | |
| C10 | C9 | doub | 1.37Å | 1.38Å | Aromatic |
| C10 | C11 | sing | 1.40Å | 1.39Å | Aromatic |
| C16 | C15 | sing | 1.53Å | 1.52Å | |
| C14 | C11 | sing | 1.48Å | 1.48Å | |
| C14 | N2 | sing | 1.35Å | 1.34Å | |
| C15 | N2 | sing | 1.46Å | 1.45Å | |
| C9 | C8 | sing | 1.40Å | 1.41Å | Aromatic |
| C11 | C12 | doub | 1.40Å | 1.41Å | Aromatic |
| O2 | C3 | doub | 1.21Å | 1.21Å | |
| C4 | C3 | sing | 1.51Å | 1.52Å | |
| C4 | C5 | sing | 1.51Å | 1.50Å | |
| N1 | C5 | doub | 1.29Å | 1.36Å | Aromatic |
| N1 | C6 | sing | 1.33Å | 1.34Å | Aromatic |
| C8 | C6 | sing | 1.48Å | 1.47Å | |
| C8 | C13 | doub | 1.40Å | 1.36Å | Aromatic |
| C3 | O1 | sing | 1.34Å | 1.43Å | |
| C12 | C13 | sing | 1.37Å | 1.40Å | Aromatic |
| C5 | S1 | sing | 1.71Å | 1.75Å | Aromatic |
| C6 | C7 | doub | 1.35Å | 1.41Å | Aromatic |
| O1 | C2 | sing | 1.45Å | 1.46Å | |
| C2 | C1 | sing | 1.53Å | 1.53Å | |
| C7 | S1 | sing | 1.76Å | 1.74Å | Aromatic |
| C4 | H1 | sing | 1.09Å | 1.10Å | |
| C4 | H2 | sing | 1.09Å | 1.10Å | |
| C7 | H3 | sing | 1.08Å | 1.08Å | |
| C9 | H4 | sing | 1.08Å | 1.08Å | |
| C10 | H5 | sing | 1.08Å | 1.08Å | |
| C12 | H6 | sing | 1.08Å | 1.08Å | |
| C13 | H7 | sing | 1.08Å | 1.08Å | |
| N2 | H8 | sing | 0.97Å | 1.00Å | |
| C1 | H9 | sing | 1.09Å | 1.10Å | |
| C1 | H10 | sing | 1.09Å | 1.10Å | |
| C1 | H11 | sing | 1.09Å | 1.10Å | |
| C2 | H12 | sing | 1.09Å | 1.10Å | |
| C2 | H13 | sing | 1.09Å | 1.10Å | |
| C15 | H14 | sing | 1.09Å | 1.10Å | |
| C15 | H15 | sing | 1.09Å | 1.10Å | |
| C16 | H16 | sing | 1.09Å | 1.10Å | |
| C16 | H17 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| F2 | C17 | F1 | 106.5° | 109.5° |
| F2 | C17 | F3 | 110.0° | 109.5° |
| F2 | C17 | C16 | 109.9° | 109.5° |
| F1 | C17 | F3 | 109.7° | 109.5° |
| F1 | C17 | C16 | 110.6° | 109.5° |
| O3 | C14 | C11 | 119.0° | 120.0° |
| O3 | C14 | N2 | 121.8° | 120.0° |
| F3 | C17 | C16 | 110.1° | 109.5° |
| C17 | C16 | C15 | 111.2° | 109.5° |
| C17 | C16 | H16 | 109.0° | 109.5° |
| C17 | C16 | H17 | 109.1° | 109.5° |
| C9 | C10 | C11 | 121.3° | 119.9° |
| C10 | C9 | C8 | 118.9° | 120.1° |
| C10 | C9 | H4 | 120.5° | 120.0° |
| C9 | C10 | H5 | 119.4° | 120.1° |
| C10 | C11 | C14 | 119.7° | 120.0° |
| C10 | C11 | C12 | 119.5° | 120.0° |
| C11 | C10 | H5 | 119.3° | 120.0° |
| C16 | C15 | N2 | 112.6° | 109.5° |
| C16 | C15 | H14 | 108.7° | 109.4° |
| C16 | C15 | H15 | 108.7° | 109.5° |
| C15 | C16 | H16 | 109.1° | 109.5° |
| C15 | C16 | H17 | 109.0° | 109.5° |
| C11 | C14 | N2 | 119.1° | 120.0° |
| C14 | C11 | C12 | 120.8° | 120.0° |
| C14 | N2 | C15 | 121.1° | 120.0° |
| C14 | N2 | H8 | 119.5° | 120.0° |
| C15 | N2 | H8 | 119.5° | 120.0° |
| N2 | C15 | H14 | 108.7° | 109.5° |
| N2 | C15 | H15 | 108.6° | 109.5° |
| C9 | C8 | C6 | 119.3° | 120.0° |
| C9 | C8 | C13 | 120.2° | 120.0° |
| C8 | C9 | H4 | 120.5° | 119.9° |
| C11 | C12 | C13 | 118.7° | 120.0° |
| C11 | C12 | H6 | 120.6° | 120.0° |
| O2 | C3 | C4 | 122.3° | 120.1° |
| O2 | C3 | O1 | 116.3° | 120.0° |
| C3 | C4 | C5 | 107.8° | 109.4° |
| C4 | C3 | O1 | 121.3° | 119.9° |
| C3 | C4 | H1 | 109.9° | 109.5° |
| C3 | C4 | H2 | 109.9° | 109.5° |
| C4 | C5 | N1 | 123.7° | 124.8° |
| C4 | C5 | S1 | 124.8° | 124.7° |
| C5 | C4 | H1 | 109.9° | 109.4° |
| C5 | C4 | H2 | 109.9° | 109.4° |
| C5 | N1 | C6 | 114.5° | 117.2° |
| N1 | C5 | S1 | 111.5° | 110.5° |
| N1 | C6 | C8 | 118.6° | 123.0° |
| N1 | C6 | C7 | 113.6° | 114.0° |
| C6 | C8 | C13 | 120.4° | 120.0° |
| C8 | C6 | C7 | 127.6° | 123.0° |
| C8 | C13 | C12 | 121.1° | 120.0° |
| C8 | C13 | H7 | 119.5° | 120.0° |
| C3 | O1 | C2 | 119.6° | 117.0° |
| C13 | C12 | H6 | 120.6° | 120.0° |
| C12 | C13 | H7 | 119.4° | 120.0° |
| C5 | S1 | C7 | 90.1° | 90.5° |
| C6 | C7 | S1 | 110.3° | 107.8° |
| C6 | C7 | H3 | 124.9° | 126.1° |
| O1 | C2 | C1 | 111.2° | 109.5° |
| O1 | C2 | H12 | 109.0° | 109.5° |
| O1 | C2 | H13 | 109.0° | 109.5° |
| C2 | C1 | H9 | 109.5° | 109.4° |
| C2 | C1 | H10 | 109.5° | 109.5° |
| C2 | C1 | H11 | 109.5° | 109.5° |
| C1 | C2 | H12 | 109.1° | 109.5° |
| C1 | C2 | H13 | 109.0° | 109.4° |
| S1 | C7 | H3 | 124.9° | 126.1° |
| H1 | C4 | H2 | 109.5° | 109.5° |
| H9 | C1 | H10 | 109.5° | 109.4° |
| H9 | C1 | H11 | 109.4° | 109.5° |
| H10 | C1 | H11 | 109.5° | 109.5° |
| H12 | C2 | H13 | 109.4° | 109.5° |
| H14 | C15 | H15 | 109.5° | 109.4° |
| H16 | C16 | H17 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F2 | C17 | F1 | F3 | 119.0° | 120.0° |
| F2 | C17 | F1 | C16 | 119.4° | 120.0° |
| F2 | C17 | F3 | C16 | 121.2° | 120.0° |
| F2 | C17 | C16 | C15 | 59.0° | 60.0° |
| F2 | C17 | C16 | H16 | 179.3° | 180.0° |
| F2 | C17 | C16 | H17 | 61.3° | 60.0° |
| F1 | C17 | F3 | C16 | 121.9° | 120.0° |
| F1 | C17 | C16 | C15 | 176.3° | 180.0° |
| F1 | C17 | C16 | H16 | 63.4° | 60.0° |
| F1 | C17 | C16 | H17 | 56.1° | 60.0° |
| O3 | C14 | C11 | C10 | 15.2° | 179.7° |
| O3 | C14 | C11 | N2 | 179.4° | 179.9° |
| O3 | C14 | N2 | C15 | 9.2° | 0.0° |
| O3 | C14 | C11 | C12 | 168.4° | 0.1° |
| O3 | C14 | N2 | H8 | 170.8° | 180.0° |
| F3 | C17 | C16 | C15 | 62.3° | 60.0° |
| F3 | C17 | C16 | H16 | 58.0° | 60.0° |
| F3 | C17 | C16 | H17 | 177.4° | 180.0° |
| C17 | C16 | C15 | H16 | 120.3° | 120.0° |
| C17 | C16 | C15 | H17 | 120.3° | 120.0° |
| C17 | C16 | C15 | N2 | 162.3° | 180.0° |
| C17 | C16 | C15 | H14 | 41.8° | 60.0° |
| C17 | C16 | C15 | H15 | 77.3° | 60.0° |
| C17 | C16 | H16 | H17 | 119.2° | 120.0° |
| C9 | C10 | C11 | H5 | 180.0° | 179.9° |
| C9 | C10 | C11 | C14 | 179.3° | 180.0° |
| C10 | C9 | C8 | H4 | 180.0° | 179.9° |
| C9 | C10 | C11 | C12 | 4.4° | 0.2° |
| C10 | C9 | C8 | C6 | 177.6° | 179.9° |
| C10 | C9 | C8 | C13 | 0.5° | 0.3° |
| C10 | C11 | C14 | C12 | 176.3° | 179.8° |
| C10 | C11 | C14 | N2 | 165.4° | 0.2° |
| C11 | C10 | C9 | C8 | 1.2° | 0.1° |
| C10 | C11 | C12 | C13 | 5.8° | 0.2° |
| C11 | C10 | C9 | H4 | 178.8° | 180.0° |
| C10 | C11 | C12 | H6 | 174.2° | 179.7° |
| C16 | C15 | N2 | C14 | 82.1° | 180.0° |
| C16 | C15 | N2 | H14 | 120.5° | 120.0° |
| C16 | C15 | N2 | H15 | 120.5° | 120.0° |
| C16 | C15 | N2 | H8 | 97.9° | 0.0° |
| C16 | C15 | H14 | H15 | 118.6° | 120.0° |
| C15 | C16 | H16 | H17 | 119.2° | 120.0° |
| C11 | C14 | N2 | C15 | 170.1° | 180.0° |
| C14 | C11 | C12 | C13 | 177.9° | 180.0° |
| C14 | C11 | C10 | H5 | 0.7° | 0.0° |
| C14 | C11 | C12 | H6 | 2.2° | 0.0° |
| C11 | C14 | N2 | H8 | 9.9° | 0.1° |
| C14 | N2 | C15 | H8 | 180.0° | 179.9° |
| N2 | C14 | C11 | C12 | 10.9° | 180.0° |
| C14 | N2 | C15 | H14 | 38.4° | 60.0° |
| C14 | N2 | C15 | H15 | 157.4° | 60.0° |
| N2 | C15 | H14 | H15 | 118.5° | 120.0° |
| N2 | C15 | C16 | H16 | 77.4° | 60.0° |
| N2 | C15 | C16 | H17 | 42.0° | 60.0° |
| C9 | C8 | C6 | N1 | 13.6° | 179.9° |
| C9 | C8 | C6 | C13 | 177.1° | 179.8° |
| C9 | C8 | C13 | C12 | 1.1° | 0.2° |
| C9 | C8 | C6 | C7 | 160.6° | 0.2° |
| C8 | C9 | C10 | H5 | 178.8° | 180.0° |
| C9 | C8 | C13 | H7 | 178.9° | 180.0° |
| C11 | C12 | C13 | C8 | 4.2° | 0.0° |
| C11 | C12 | C13 | H6 | 180.0° | 180.0° |
| C12 | C11 | C10 | H5 | 175.6° | 179.7° |
| C11 | C12 | C13 | H7 | 175.8° | 179.8° |
| O2 | C3 | C4 | O1 | 177.4° | 180.0° |
| O2 | C3 | C4 | C5 | 82.8° | 0.0° |
| O2 | C3 | O1 | C2 | 5.7° | 0.0° |
| O2 | C3 | C4 | H1 | 157.4° | 119.9° |
| O2 | C3 | C4 | H2 | 36.9° | 120.0° |
| C3 | C4 | C5 | H1 | 119.8° | 120.0° |
| C3 | C4 | C5 | H2 | 119.8° | 120.0° |
| C3 | C4 | C5 | N1 | 120.6° | 90.3° |
| C3 | C4 | C5 | S1 | 59.8° | 90.0° |
| C4 | C3 | O1 | C2 | 176.8° | 180.0° |
| C3 | C4 | H1 | H2 | 120.8° | 120.1° |
| C4 | C5 | N1 | S1 | 179.7° | 179.7° |
| C4 | C5 | N1 | C6 | 179.0° | 180.0° |
| C5 | C4 | C3 | O1 | 94.5° | 180.0° |
| C4 | C5 | S1 | C7 | 179.4° | 180.0° |
| C5 | C4 | H1 | H2 | 120.7° | 119.9° |
| C5 | N1 | C6 | C8 | 176.0° | 179.8° |
| C5 | N1 | C6 | C7 | 1.0° | 0.1° |
| N1 | C5 | S1 | C7 | 1.0° | 0.2° |
| N1 | C5 | C4 | H1 | 119.7° | 149.8° |
| N1 | C5 | C4 | H2 | 0.8° | 29.8° |
| N1 | C6 | C8 | C7 | 174.2° | 180.0° |
| N1 | C6 | C8 | C13 | 169.3° | 0.1° |
| C6 | N1 | C5 | S1 | 1.3° | 0.2° |
| N1 | C6 | C7 | S1 | 0.2° | 0.0° |
| N1 | C6 | C7 | H3 | 179.8° | 179.8° |
| C6 | C8 | C13 | C12 | 176.0° | 180.0° |
| C8 | C6 | C7 | S1 | 174.7° | 180.0° |
| C8 | C6 | C7 | H3 | 5.3° | 0.1° |
| C6 | C8 | C9 | H4 | 2.4° | 0.0° |
| C6 | C8 | C13 | H7 | 4.0° | 0.2° |
| C8 | C13 | C12 | H7 | 180.0° | 179.8° |
| C13 | C8 | C6 | C7 | 16.4° | 180.0° |
| C13 | C8 | C9 | H4 | 179.5° | 179.8° |
| C8 | C13 | C12 | H6 | 175.7° | 179.9° |
| C3 | O1 | C2 | C1 | 171.5° | 180.0° |
| O1 | C3 | C4 | H1 | 25.2° | 60.1° |
| O1 | C3 | C4 | H2 | 145.7° | 60.0° |
| C3 | O1 | C2 | H12 | 68.2° | 60.0° |
| C3 | O1 | C2 | H13 | 51.3° | 60.1° |
| C5 | S1 | C7 | C6 | 0.4° | 0.1° |
| S1 | C5 | C4 | H1 | 59.9° | 30.0° |
| S1 | C5 | C4 | H2 | 179.6° | 149.9° |
| C5 | S1 | C7 | H3 | 179.6° | 179.7° |
| C6 | C7 | S1 | H3 | 180.0° | 179.9° |
| O1 | C2 | C1 | H12 | 120.3° | 120.1° |
| O1 | C2 | C1 | H13 | 120.3° | 119.9° |
| O1 | C2 | C1 | H9 | 180.0° | 60.0° |
| O1 | C2 | C1 | H10 | 60.0° | 59.9° |
| O1 | C2 | C1 | H11 | 60.0° | 180.0° |
| O1 | C2 | H12 | H13 | 119.2° | 120.0° |
| C2 | C1 | H9 | H10 | 120.0° | 120.0° |
| C2 | C1 | H9 | H11 | 120.0° | 120.0° |
| C2 | C1 | H10 | H11 | 120.0° | 120.1° |
| C1 | C2 | H12 | H13 | 119.2° | 119.9° |
| H4 | C9 | C10 | H5 | 1.2° | 0.1° |
| H6 | C12 | C13 | H7 | 4.3° | 0.3° |
| H8 | N2 | C15 | H14 | 141.6° | 120.0° |
| H8 | N2 | C15 | H15 | 22.6° | 120.1° |
| H9 | C1 | H10 | H11 | 119.9° | 120.0° |
| H9 | C1 | C2 | H12 | 59.7° | 60.0° |
| H9 | C1 | C2 | H13 | 59.7° | 180.0° |
| H10 | C1 | C2 | H12 | 179.7° | 180.0° |
| H10 | C1 | C2 | H13 | 60.3° | 60.0° |
| H11 | C1 | C2 | H12 | 60.3° | 60.0° |
| H11 | C1 | C2 | H13 | 179.7° | 60.1° |
| H14 | C15 | C16 | H16 | 162.1° | 179.9° |
| H14 | C15 | C16 | H17 | 78.5° | 60.0° |
| H15 | C15 | C16 | H16 | 43.0° | 60.0° |
| H15 | C15 | C16 | H17 | 162.4° | 179.9° |
