GZH
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| F25 | C24 | sing | 1.40Å | 1.34Å | |
| F27 | C24 | sing | 1.40Å | 1.33Å | |
| F26 | C24 | sing | 1.40Å | 1.33Å | |
| C24 | C22 | sing | 1.51Å | 1.50Å | |
| CL1 | C21 | sing | 1.74Å | 1.74Å | |
| C22 | C21 | doub | 1.38Å | 1.40Å | Aromatic |
| C22 | C23 | sing | 1.38Å | 1.39Å | Aromatic |
| C21 | C20 | sing | 1.38Å | 1.38Å | Aromatic |
| C23 | C18 | doub | 1.39Å | 1.39Å | Aromatic |
| C20 | C19 | doub | 1.38Å | 1.38Å | Aromatic |
| C18 | C19 | sing | 1.39Å | 1.39Å | Aromatic |
| C18 | N3 | sing | 1.40Å | 1.42Å | |
| N3 | C1 | sing | 1.35Å | 1.37Å | |
| C1 | O1 | doub | 1.22Å | 1.23Å | |
| C1 | N2 | sing | 1.35Å | 1.35Å | |
| N2 | C16 | sing | 1.46Å | 1.46Å | |
| C17 | C16 | sing | 1.53Å | 1.53Å | |
| C17 | C6 | sing | 1.51Å | 1.51Å | |
| C7 | C6 | doub | 1.38Å | 1.39Å | Aromatic |
| C7 | C8 | sing | 1.38Å | 1.39Å | Aromatic |
| C6 | C11 | sing | 1.38Å | 1.39Å | Aromatic |
| C8 | C9 | doub | 1.38Å | 1.39Å | Aromatic |
| C11 | C10 | doub | 1.38Å | 1.39Å | Aromatic |
| C9 | C10 | sing | 1.38Å | 1.39Å | Aromatic |
| C9 | S12 | sing | 1.76Å | 1.77Å | |
| N15 | S12 | sing | 1.66Å | 1.59Å | |
| S12 | O14 | doub | 1.42Å | 1.44Å | |
| S12 | O13 | doub | 1.42Å | 1.44Å | |
| C7 | H1 | sing | 1.08Å | 1.08Å | |
| C8 | H2 | sing | 1.08Å | 1.08Å | |
| N2 | H3 | sing | 0.97Å | 1.00Å | |
| N3 | H4 | sing | 0.97Å | 1.00Å | |
| C10 | H5 | sing | 1.08Å | 1.08Å | |
| C11 | H6 | sing | 1.08Å | 1.08Å | |
| N15 | H7 | sing | 0.97Å | 1.00Å | |
| N15 | H8 | sing | 0.97Å | 1.00Å | |
| C16 | H9 | sing | 1.09Å | 1.10Å | |
| C16 | H10 | sing | 1.09Å | 1.10Å | |
| C17 | H11 | sing | 1.09Å | 1.10Å | |
| C17 | H12 | sing | 1.09Å | 1.10Å | |
| C19 | H13 | sing | 1.08Å | 1.08Å | |
| C20 | H14 | sing | 1.08Å | 1.08Å | |
| C23 | H15 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| F25 | C24 | F27 | 106.6° | 109.4° |
| F25 | C24 | F26 | 106.5° | 109.5° |
| F25 | C24 | C22 | 112.7° | 109.5° |
| F27 | C24 | F26 | 105.4° | 109.5° |
| F27 | C24 | C22 | 112.3° | 109.5° |
| F26 | C24 | C22 | 112.8° | 109.5° |
| C24 | C22 | C21 | 121.8° | 120.0° |
| C24 | C22 | C23 | 112.7° | 120.0° |
| CL1 | C21 | C22 | 121.5° | 119.9° |
| CL1 | C21 | C20 | 117.3° | 119.9° |
| C21 | C22 | C23 | 118.1° | 120.0° |
| C22 | C21 | C20 | 121.2° | 120.1° |
| C22 | C23 | C18 | 121.1° | 120.0° |
| C22 | C23 | H15 | 119.4° | 120.1° |
| C21 | C20 | C19 | 119.9° | 120.0° |
| C21 | C20 | H14 | 120.1° | 120.0° |
| C23 | C18 | C19 | 119.5° | 119.9° |
| C23 | C18 | N3 | 118.9° | 120.1° |
| C18 | C23 | H15 | 119.5° | 120.0° |
| C20 | C19 | C18 | 120.2° | 120.0° |
| C20 | C19 | H13 | 119.9° | 120.0° |
| C19 | C20 | H14 | 120.0° | 120.0° |
| C19 | C18 | N3 | 121.5° | 120.1° |
| C18 | C19 | H13 | 119.9° | 120.1° |
| C18 | N3 | C1 | 126.8° | 120.0° |
| C18 | N3 | H4 | 116.6° | 120.0° |
| N3 | C1 | O1 | 123.4° | 120.0° |
| N3 | C1 | N2 | 114.2° | 120.0° |
| C1 | N3 | H4 | 116.6° | 120.0° |
| O1 | C1 | N2 | 122.4° | 120.0° |
| C1 | N2 | C16 | 122.2° | 120.0° |
| C1 | N2 | H3 | 118.9° | 119.9° |
| N2 | C16 | C17 | 112.2° | 109.5° |
| C16 | N2 | H3 | 118.9° | 120.1° |
| N2 | C16 | H9 | 108.8° | 109.5° |
| N2 | C16 | H10 | 108.8° | 109.5° |
| C16 | C17 | C6 | 112.7° | 109.5° |
| C17 | C16 | H9 | 108.8° | 109.5° |
| C17 | C16 | H10 | 108.8° | 109.4° |
| C16 | C17 | H11 | 108.7° | 109.4° |
| C16 | C17 | H12 | 108.6° | 109.5° |
| C17 | C6 | C7 | 120.7° | 120.0° |
| C17 | C6 | C11 | 120.9° | 120.0° |
| C6 | C17 | H11 | 108.6° | 109.5° |
| C6 | C17 | H12 | 108.7° | 109.5° |
| C6 | C7 | C8 | 121.2° | 120.0° |
| C7 | C6 | C11 | 118.4° | 120.0° |
| C6 | C7 | H1 | 119.4° | 120.0° |
| C7 | C8 | C9 | 119.4° | 120.0° |
| C8 | C7 | H1 | 119.4° | 120.0° |
| C7 | C8 | H2 | 120.3° | 120.0° |
| C6 | C11 | C10 | 121.2° | 120.0° |
| C6 | C11 | H6 | 119.4° | 120.0° |
| C8 | C9 | C10 | 120.4° | 120.0° |
| C8 | C9 | S12 | 119.9° | 120.0° |
| C9 | C8 | H2 | 120.3° | 120.0° |
| C11 | C10 | C9 | 119.4° | 120.0° |
| C11 | C10 | H5 | 120.3° | 120.0° |
| C10 | C11 | H6 | 119.4° | 120.0° |
| C10 | C9 | S12 | 119.5° | 120.0° |
| C9 | C10 | H5 | 120.3° | 120.0° |
| C9 | S12 | N15 | 109.5° | 107.2° |
| C9 | S12 | O14 | 108.1° | 106.4° |
| C9 | S12 | O13 | 106.8° | 106.4° |
| N15 | S12 | O14 | 105.9° | 106.4° |
| N15 | S12 | O13 | 109.0° | 106.4° |
| S12 | N15 | H7 | 109.5° | 120.0° |
| S12 | N15 | H8 | 109.5° | 120.0° |
| O14 | S12 | O13 | 117.4° | 123.2° |
| H7 | N15 | H8 | 109.5° | 120.0° |
| H9 | C16 | H10 | 109.5° | 109.5° |
| H11 | C17 | H12 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F25 | C24 | F27 | F26 | 112.9° | 120.0° |
| F25 | C24 | F27 | C22 | 123.9° | 120.0° |
| F25 | C24 | F26 | C22 | 124.1° | 120.1° |
| F25 | C24 | C22 | C21 | 6.4° | 180.0° |
| F25 | C24 | C22 | C23 | 143.0° | 0.2° |
| F27 | C24 | F26 | C22 | 122.8° | 120.0° |
| F27 | C24 | C22 | C21 | 126.9° | 60.0° |
| F27 | C24 | C22 | C23 | 22.6° | 119.8° |
| F26 | C24 | C22 | C21 | 114.2° | 60.0° |
| F26 | C24 | C22 | C23 | 96.3° | 120.2° |
| C24 | C22 | C21 | CL1 | 37.0° | 0.1° |
| C24 | C22 | C21 | C23 | 147.9° | 179.8° |
| C24 | C22 | C21 | C20 | 145.6° | 180.0° |
| C24 | C22 | C23 | C18 | 149.6° | 179.7° |
| C24 | C22 | C23 | H15 | 30.4° | 0.1° |
| CL1 | C21 | C22 | C20 | 177.4° | 180.0° |
| CL1 | C21 | C22 | C23 | 175.1° | 179.8° |
| CL1 | C21 | C20 | C19 | 175.9° | 180.0° |
| CL1 | C21 | C20 | H14 | 4.1° | 0.0° |
| C21 | C22 | C23 | C18 | 1.1° | 0.5° |
| C22 | C21 | C20 | C19 | 1.7° | 0.1° |
| C22 | C21 | C20 | H14 | 178.4° | 180.0° |
| C21 | C22 | C23 | H15 | 178.9° | 180.0° |
| C23 | C22 | C21 | C20 | 2.3° | 0.2° |
| C22 | C23 | C18 | H15 | 180.0° | 179.6° |
| C22 | C23 | C18 | C19 | 0.8° | 0.5° |
| C22 | C23 | C18 | N3 | 175.7° | 179.8° |
| C21 | C20 | C19 | H14 | 180.0° | 179.9° |
| C21 | C20 | C19 | C18 | 0.3° | 0.1° |
| C21 | C20 | C19 | H13 | 179.7° | 179.9° |
| C23 | C18 | C19 | C20 | 1.5° | 0.2° |
| C23 | C18 | C19 | N3 | 176.4° | 179.8° |
| C23 | C18 | N3 | C1 | 174.5° | 145.2° |
| C23 | C18 | N3 | H4 | 5.5° | 34.9° |
| C23 | C18 | C19 | H13 | 178.5° | 179.8° |
| C20 | C19 | C18 | H13 | 180.0° | 180.0° |
| C20 | C19 | C18 | N3 | 174.8° | 180.0° |
| C19 | C18 | N3 | C1 | 1.9° | 35.1° |
| C19 | C18 | N3 | H4 | 178.1° | 144.9° |
| C18 | C19 | C20 | H14 | 179.7° | 180.0° |
| C19 | C18 | C23 | H15 | 179.2° | 180.0° |
| C18 | N3 | C1 | H4 | 180.0° | 180.0° |
| C18 | N3 | C1 | O1 | 1.3° | 4.6° |
| C18 | N3 | C1 | N2 | 179.1° | 175.4° |
| N3 | C18 | C19 | H13 | 5.1° | 0.0° |
| N3 | C18 | C23 | H15 | 4.3° | 0.2° |
| N3 | C1 | O1 | N2 | 179.6° | 179.9° |
| N3 | C1 | N2 | C16 | 178.3° | 180.0° |
| N3 | C1 | N2 | H3 | 1.7° | 0.0° |
| O1 | C1 | N2 | C16 | 1.3° | 0.0° |
| O1 | C1 | N2 | H3 | 178.7° | 179.9° |
| O1 | C1 | N3 | H4 | 178.7° | 175.3° |
| C1 | N2 | C16 | H3 | 180.0° | 180.0° |
| C1 | N2 | C16 | C17 | 130.7° | 180.0° |
| N2 | C1 | N3 | H4 | 0.9° | 4.6° |
| C1 | N2 | C16 | H9 | 10.3° | 60.0° |
| C1 | N2 | C16 | H10 | 108.9° | 60.0° |
| N2 | C16 | C17 | H9 | 120.4° | 120.0° |
| N2 | C16 | C17 | H10 | 120.4° | 120.0° |
| N2 | C16 | C17 | C6 | 177.0° | 180.0° |
| N2 | C16 | H9 | H10 | 118.7° | 120.0° |
| N2 | C16 | C17 | H11 | 62.5° | 60.0° |
| N2 | C16 | C17 | H12 | 56.5° | 60.0° |
| C16 | C17 | C6 | H11 | 120.5° | 119.9° |
| C16 | C17 | C6 | H12 | 120.5° | 120.0° |
| C16 | C17 | C6 | C7 | 103.1° | 90.0° |
| C16 | C17 | C6 | C11 | 77.8° | 90.0° |
| C17 | C16 | N2 | H3 | 49.3° | 0.1° |
| C17 | C16 | H9 | H10 | 118.8° | 120.0° |
| C16 | C17 | H11 | H12 | 118.5° | 120.0° |
| C17 | C6 | C7 | C11 | 179.1° | 180.0° |
| C17 | C6 | C7 | C8 | 178.8° | 180.0° |
| C17 | C6 | C11 | C10 | 179.5° | 179.9° |
| C17 | C6 | C7 | H1 | 1.1° | 0.2° |
| C17 | C6 | C11 | H6 | 0.5° | 0.0° |
| C6 | C17 | C16 | H9 | 56.6° | 60.0° |
| C6 | C17 | C16 | H10 | 62.6° | 60.0° |
| C6 | C17 | H11 | H12 | 118.5° | 120.0° |
| C6 | C7 | C8 | H1 | 180.0° | 179.8° |
| C6 | C7 | C8 | C9 | 1.2° | 0.0° |
| C7 | C6 | C11 | C10 | 0.4° | 0.0° |
| C6 | C7 | C8 | H2 | 178.9° | 180.0° |
| C7 | C6 | C11 | H6 | 179.5° | 179.9° |
| C7 | C6 | C17 | H11 | 136.4° | 150.0° |
| C7 | C6 | C17 | H12 | 17.3° | 30.0° |
| C8 | C7 | C6 | C11 | 0.2° | 0.0° |
| C7 | C8 | C9 | H2 | 180.0° | 180.0° |
| C7 | C8 | C9 | C10 | 1.5° | 0.0° |
| C7 | C8 | C9 | S12 | 174.1° | 180.0° |
| C6 | C11 | C10 | H6 | 180.0° | 179.9° |
| C6 | C11 | C10 | C9 | 0.1° | 0.1° |
| C11 | C6 | C7 | H1 | 179.8° | 179.7° |
| C6 | C11 | C10 | H5 | 179.9° | 180.0° |
| C11 | C6 | C17 | H11 | 42.7° | 30.0° |
| C11 | C6 | C17 | H12 | 161.7° | 150.0° |
| C8 | C9 | C10 | C11 | 0.8° | 0.1° |
| C8 | C9 | C10 | S12 | 175.6° | 180.0° |
| C8 | C9 | S12 | N15 | 52.1° | 90.0° |
| C8 | C9 | S12 | O14 | 62.8° | 23.6° |
| C8 | C9 | S12 | O13 | 170.0° | 156.5° |
| C9 | C8 | C7 | H1 | 178.8° | 179.7° |
| C8 | C9 | C10 | H5 | 179.2° | 180.0° |
| C11 | C10 | C9 | H5 | 180.0° | 180.0° |
| C11 | C10 | C9 | S12 | 174.7° | 179.9° |
| C10 | C9 | S12 | N15 | 132.3° | 90.0° |
| C10 | C9 | S12 | O14 | 112.8° | 156.4° |
| C10 | C9 | S12 | O13 | 14.4° | 23.5° |
| C10 | C9 | C8 | H2 | 178.5° | 180.0° |
| C9 | C10 | C11 | H6 | 179.8° | 180.0° |
| C9 | S12 | N15 | O14 | 116.4° | 113.5° |
| C9 | S12 | N15 | O13 | 116.5° | 113.5° |
| C9 | S12 | O14 | O13 | 120.8° | 123.0° |
| S12 | C9 | C8 | H2 | 5.9° | 0.0° |
| S12 | C9 | C10 | H5 | 5.3° | 0.0° |
| C9 | S12 | N15 | H7 | 180.0° | 149.9° |
| C9 | S12 | N15 | H8 | 60.0° | 29.9° |
| N15 | S12 | O14 | O13 | 121.9° | 122.9° |
| S12 | N15 | H7 | H8 | 120.0° | 179.9° |
| O14 | S12 | N15 | H7 | 63.6° | 96.5° |
| O14 | S12 | N15 | H8 | 176.4° | 83.6° |
| O13 | S12 | N15 | H7 | 63.5° | 36.4° |
| O13 | S12 | N15 | H8 | 56.5° | 143.5° |
| H1 | C7 | C8 | H2 | 1.1° | 0.3° |
| H3 | N2 | C16 | H9 | 169.7° | 120.0° |
| H3 | N2 | C16 | H10 | 71.1° | 120.0° |
| H5 | C10 | C11 | H6 | 0.2° | 0.1° |
| H9 | C16 | C17 | H11 | 177.1° | 60.0° |
| H9 | C16 | C17 | H12 | 63.8° | NaN° |
| H10 | C16 | C17 | H11 | 57.9° | 180.0° |
| H10 | C16 | C17 | H12 | 176.9° | 60.0° |
| H13 | C19 | C20 | H14 | 0.3° | 0.0° |
