ZGD
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CL14 | C13 | sing | 1.74Å | 1.74Å | |
| C13 | C15 | doub | 1.38Å | 1.40Å | Aromatic |
| C13 | C12 | sing | 1.39Å | 1.41Å | Aromatic |
| O11 | C12 | sing | 1.36Å | 1.38Å | |
| O11 | C10 | sing | 1.36Å | 1.38Å | |
| C15 | C17 | sing | 1.39Å | 1.39Å | Aromatic |
| C12 | C40 | doub | 1.39Å | 1.40Å | Aromatic |
| C17 | N18 | sing | 1.40Å | 1.42Å | |
| C17 | C38 | doub | 1.39Å | 1.40Å | Aromatic |
| C40 | C38 | sing | 1.38Å | 1.39Å | Aromatic |
| C40 | CL41 | sing | 1.74Å | 1.73Å | |
| C01 | N05 | sing | 1.47Å | 1.47Å | |
| C08 | C10 | doub | 1.39Å | 1.41Å | Aromatic |
| C08 | C07 | sing | 1.39Å | 1.41Å | Aromatic |
| C10 | N42 | sing | 1.33Å | 1.35Å | Aromatic |
| N18 | C20 | sing | 1.35Å | 1.34Å | |
| C20 | N22 | sing | 1.35Å | 1.33Å | |
| C20 | O21 | doub | 1.22Å | 1.25Å | |
| N22 | C24 | sing | 1.40Å | 1.42Å | |
| C25 | C24 | doub | 1.39Å | 1.40Å | Aromatic |
| C25 | C27 | sing | 1.38Å | 1.40Å | Aromatic |
| C07 | N05 | sing | 1.39Å | 1.42Å | |
| C07 | N45 | doub | 1.33Å | 1.35Å | Aromatic |
| N42 | C43 | doub | 1.32Å | 1.34Å | Aromatic |
| C24 | C32 | sing | 1.39Å | 1.40Å | Aromatic |
| C27 | C29 | doub | 1.38Å | 1.40Å | Aromatic |
| N45 | C43 | sing | 1.32Å | 1.34Å | Aromatic |
| C32 | C31 | doub | 1.38Å | 1.39Å | Aromatic |
| C29 | C31 | sing | 1.38Å | 1.39Å | Aromatic |
| C31 | C34 | sing | 1.51Å | 1.50Å | |
| F37 | C34 | sing | 1.40Å | 1.33Å | |
| C34 | F36 | sing | 1.40Å | 1.34Å | |
| C34 | F35 | sing | 1.40Å | 1.33Å | |
| C01 | H1 | sing | 1.09Å | 1.10Å | |
| C01 | H2 | sing | 1.09Å | 1.10Å | |
| C01 | H3 | sing | 1.09Å | 1.10Å | |
| N05 | H4 | sing | 0.97Å | 1.00Å | |
| C08 | H5 | sing | 1.08Å | 1.08Å | |
| C15 | H6 | sing | 1.08Å | 1.08Å | |
| N18 | H7 | sing | 0.97Å | 1.00Å | |
| N22 | H8 | sing | 0.97Å | 1.00Å | |
| C25 | H9 | sing | 1.08Å | 1.08Å | |
| C27 | H10 | sing | 1.08Å | 1.08Å | |
| C29 | H11 | sing | 1.08Å | 1.08Å | |
| C32 | H12 | sing | 1.08Å | 1.08Å | |
| C38 | H13 | sing | 1.08Å | 1.08Å | |
| C43 | H14 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CL14 | C13 | C15 | 117.4° | 120.0° |
| CL14 | C13 | C12 | 121.9° | 120.0° |
| C15 | C13 | C12 | 120.6° | 120.0° |
| C13 | C15 | C17 | 121.1° | 120.0° |
| C13 | C15 | H6 | 119.4° | 120.0° |
| C13 | C12 | O11 | 122.6° | 120.0° |
| C13 | C12 | C40 | 117.8° | 120.1° |
| C12 | O11 | C10 | 119.8° | 118.0° |
| O11 | C12 | C40 | 119.6° | 120.0° |
| O11 | C10 | C08 | 121.3° | 120.5° |
| O11 | C10 | N42 | 119.4° | 120.4° |
| C15 | C17 | N18 | 117.8° | 120.0° |
| C15 | C17 | C38 | 118.4° | 120.0° |
| C17 | C15 | H6 | 119.5° | 120.0° |
| C12 | C40 | C38 | 121.4° | 119.9° |
| C12 | C40 | CL41 | 120.3° | 120.0° |
| N18 | C17 | C38 | 123.8° | 120.0° |
| C17 | N18 | C20 | 127.0° | 120.0° |
| C17 | N18 | H7 | 116.5° | 120.0° |
| C17 | C38 | C40 | 120.7° | 120.0° |
| C17 | C38 | H13 | 119.7° | 120.0° |
| C38 | C40 | CL41 | 118.2° | 120.0° |
| C40 | C38 | H13 | 119.7° | 120.0° |
| C01 | N05 | C07 | 118.3° | 120.0° |
| N05 | C01 | H1 | 109.5° | 109.5° |
| N05 | C01 | H2 | 109.4° | 109.4° |
| N05 | C01 | H3 | 109.5° | 109.5° |
| C01 | N05 | H4 | 107.2° | 120.0° |
| C10 | C08 | C07 | 117.3° | 118.3° |
| C08 | C10 | N42 | 119.3° | 119.1° |
| C10 | C08 | H5 | 121.3° | 120.9° |
| C08 | C07 | N05 | 120.7° | 120.5° |
| C08 | C07 | N45 | 120.0° | 119.0° |
| C07 | C08 | H5 | 121.4° | 120.9° |
| C10 | N42 | C43 | 121.8° | 120.9° |
| N18 | C20 | N22 | 117.0° | 119.9° |
| N18 | C20 | O21 | 122.2° | 120.1° |
| C20 | N18 | H7 | 116.5° | 120.1° |
| N22 | C20 | O21 | 120.7° | 120.0° |
| C20 | N22 | C24 | 123.4° | 120.0° |
| C20 | N22 | H8 | 118.3° | 120.1° |
| N22 | C24 | C25 | 119.0° | 120.0° |
| N22 | C24 | C32 | 121.6° | 120.1° |
| C24 | N22 | H8 | 118.3° | 120.0° |
| C24 | C25 | C27 | 120.1° | 119.9° |
| C25 | C24 | C32 | 119.4° | 119.9° |
| C24 | C25 | H9 | 119.9° | 120.1° |
| C25 | C27 | C29 | 120.5° | 120.1° |
| C27 | C25 | H9 | 119.9° | 120.0° |
| C25 | C27 | H10 | 119.8° | 120.0° |
| N05 | C07 | N45 | 119.3° | 120.4° |
| C07 | N05 | H4 | 107.2° | 120.1° |
| C07 | N45 | C43 | 121.1° | 120.8° |
| N42 | C43 | N45 | 120.4° | 121.9° |
| N42 | C43 | H14 | 119.8° | 119.0° |
| C24 | C32 | C31 | 120.1° | 119.9° |
| C24 | C32 | H12 | 120.0° | 120.0° |
| C27 | C29 | C31 | 119.0° | 120.2° |
| C29 | C27 | H10 | 119.8° | 120.0° |
| C27 | C29 | H11 | 120.5° | 119.9° |
| N45 | C43 | H14 | 119.8° | 119.1° |
| C32 | C31 | C29 | 120.8° | 120.1° |
| C32 | C31 | C34 | 119.8° | 120.0° |
| C31 | C32 | H12 | 119.9° | 120.0° |
| C29 | C31 | C34 | 119.4° | 120.0° |
| C31 | C29 | H11 | 120.5° | 119.9° |
| C31 | C34 | F37 | 107.9° | 109.5° |
| C31 | C34 | F36 | 110.5° | 109.5° |
| C31 | C34 | F35 | 108.0° | 109.5° |
| F37 | C34 | F36 | 110.1° | 109.5° |
| F37 | C34 | F35 | 109.9° | 109.4° |
| F36 | C34 | F35 | 110.5° | 109.5° |
| H1 | C01 | H2 | 109.5° | 109.4° |
| H1 | C01 | H3 | 109.4° | 109.5° |
| H2 | C01 | H3 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CL14 | C13 | C15 | C12 | 179.7° | 180.0° |
| CL14 | C13 | C12 | O11 | 0.9° | 0.0° |
| CL14 | C13 | C15 | C17 | 179.6° | 180.0° |
| CL14 | C13 | C12 | C40 | 180.0° | 179.7° |
| CL14 | C13 | C15 | H6 | 0.4° | 0.1° |
| C15 | C13 | C12 | O11 | 179.4° | 180.0° |
| C13 | C15 | C17 | H6 | 180.0° | 179.9° |
| C15 | C13 | C12 | C40 | 0.3° | 0.3° |
| C13 | C15 | C17 | N18 | 179.5° | 180.0° |
| C13 | C15 | C17 | C38 | 0.5° | 0.0° |
| C13 | C12 | O11 | C40 | 179.1° | 179.7° |
| C13 | C12 | O11 | C10 | 106.0° | 89.7° |
| C12 | C13 | C15 | C17 | 0.1° | 0.0° |
| C13 | C12 | C40 | C38 | 0.3° | 0.5° |
| C13 | C12 | C40 | CL41 | 179.8° | 179.7° |
| C12 | C13 | C15 | H6 | 179.9° | 179.9° |
| O11 | C12 | C40 | C38 | 179.4° | 179.8° |
| O11 | C12 | C40 | CL41 | 0.6° | 0.0° |
| C12 | O11 | C10 | C08 | 153.2° | 180.0° |
| C12 | O11 | C10 | N42 | 26.1° | 0.1° |
| C10 | O11 | C12 | C40 | 74.9° | 90.0° |
| O11 | C10 | C08 | N42 | 179.3° | 179.9° |
| O11 | C10 | C08 | C07 | 179.6° | 180.0° |
| O11 | C10 | N42 | C43 | 179.9° | 180.0° |
| O11 | C10 | C08 | H5 | 0.4° | 0.0° |
| C15 | C17 | N18 | C38 | 178.9° | 179.9° |
| C15 | C17 | C38 | C40 | 0.5° | 0.2° |
| C15 | C17 | N18 | C20 | 175.0° | 33.0° |
| C15 | C17 | N18 | H7 | 5.0° | 146.9° |
| C15 | C17 | C38 | H13 | 179.5° | 180.0° |
| C12 | C40 | C38 | C17 | 0.1° | 0.5° |
| C12 | C40 | C38 | CL41 | 179.9° | 179.8° |
| C12 | C40 | C38 | H13 | 179.9° | 179.7° |
| N18 | C17 | C38 | C40 | 179.4° | 179.7° |
| C17 | N18 | C20 | H7 | 180.0° | 179.9° |
| C17 | N18 | C20 | N22 | 179.7° | 174.8° |
| C17 | N18 | C20 | O21 | 0.8° | 5.2° |
| N18 | C17 | C15 | H6 | 0.5° | 0.1° |
| N18 | C17 | C38 | H13 | 0.6° | 0.1° |
| C17 | C38 | C40 | H13 | 180.0° | 179.8° |
| C17 | C38 | C40 | CL41 | 179.8° | 179.8° |
| C38 | C17 | N18 | C20 | 6.1° | 146.9° |
| C38 | C17 | C15 | H6 | 179.5° | 180.0° |
| C38 | C17 | N18 | H7 | 173.9° | 33.2° |
| CL41 | C40 | C38 | H13 | 0.2° | 0.0° |
| C01 | N05 | C07 | C08 | 0.1° | 0.2° |
| C01 | N05 | C07 | H4 | 121.3° | 180.0° |
| C01 | N05 | C07 | N45 | 179.9° | 180.0° |
| N05 | C01 | H1 | H2 | 120.0° | 119.9° |
| N05 | C01 | H1 | H3 | 120.0° | 120.1° |
| N05 | C01 | H2 | H3 | 120.0° | 120.0° |
| C10 | C08 | C07 | H5 | 180.0° | 180.0° |
| C10 | C08 | C07 | N05 | 179.9° | 180.0° |
| C10 | C08 | C07 | N45 | 0.1° | 0.3° |
| C08 | C10 | N42 | C43 | 0.6° | 0.0° |
| C07 | C08 | C10 | N42 | 0.3° | 0.0° |
| C08 | C07 | N05 | N45 | 180.0° | 179.7° |
| C08 | C07 | N45 | C43 | 0.1° | 0.5° |
| C08 | C07 | N05 | H4 | 121.3° | 179.7° |
| C10 | N42 | C43 | N45 | 0.6° | 0.3° |
| N42 | C10 | C08 | H5 | 179.7° | 180.0° |
| C10 | N42 | C43 | H14 | 179.4° | 180.0° |
| N18 | C20 | N22 | O21 | 179.5° | 179.9° |
| N18 | C20 | N22 | C24 | 179.6° | 174.8° |
| N18 | C20 | N22 | H8 | 0.4° | 5.2° |
| C20 | N22 | C24 | H8 | 180.0° | 180.0° |
| C20 | N22 | C24 | C25 | 139.7° | 146.6° |
| C20 | N22 | C24 | C32 | 40.7° | 33.0° |
| N22 | C20 | N18 | H7 | 0.3° | 5.1° |
| O21 | C20 | N22 | C24 | 0.9° | 5.2° |
| O21 | C20 | N18 | H7 | 179.2° | 174.8° |
| O21 | C20 | N22 | H8 | 179.1° | 174.8° |
| N22 | C24 | C25 | C32 | 179.5° | 179.6° |
| N22 | C24 | C25 | C27 | 179.9° | 180.0° |
| N22 | C24 | C32 | C31 | 179.8° | 179.7° |
| N22 | C24 | C25 | H9 | 0.1° | 0.1° |
| N22 | C24 | C32 | H12 | 0.1° | 0.0° |
| C24 | C25 | C27 | H9 | 180.0° | 179.9° |
| C24 | C25 | C27 | C29 | 0.2° | 0.1° |
| C25 | C24 | C32 | C31 | 0.6° | 0.7° |
| C25 | C24 | N22 | H8 | 40.3° | 33.4° |
| C24 | C25 | C27 | H10 | 179.8° | 179.9° |
| C25 | C24 | C32 | H12 | 179.4° | 179.7° |
| C27 | C25 | C24 | C32 | 0.6° | 0.4° |
| C25 | C27 | C29 | H10 | 180.0° | 180.0° |
| C25 | C27 | C29 | C31 | 0.1° | 0.0° |
| C25 | C27 | C29 | H11 | 179.9° | 180.0° |
| N05 | C07 | N45 | C43 | 179.9° | 179.7° |
| C07 | N05 | C01 | H1 | 180.0° | 59.9° |
| C07 | N05 | C01 | H2 | 60.0° | 60.0° |
| C07 | N05 | C01 | H3 | 60.0° | 180.0° |
| N05 | C07 | C08 | H5 | 0.1° | 0.0° |
| C07 | N45 | C43 | N42 | 0.3° | 0.6° |
| N45 | C07 | N05 | H4 | 58.7° | 0.0° |
| N45 | C07 | C08 | H5 | 179.9° | 179.7° |
| C07 | N45 | C43 | H14 | 179.7° | 179.7° |
| N42 | C43 | N45 | H14 | 180.0° | 179.7° |
| C24 | C32 | C31 | H12 | 180.0° | 179.7° |
| C24 | C32 | C31 | C29 | 0.4° | 0.6° |
| C24 | C32 | C31 | C34 | 179.2° | 179.7° |
| C32 | C24 | N22 | H8 | 139.3° | 147.0° |
| C32 | C24 | C25 | H9 | 179.4° | 179.7° |
| C27 | C29 | C31 | C32 | 0.0° | 0.3° |
| C27 | C29 | C31 | H11 | 180.0° | 180.0° |
| C27 | C29 | C31 | C34 | 179.5° | 180.0° |
| C29 | C27 | C25 | H9 | 179.8° | 179.9° |
| C32 | C31 | C29 | C34 | 179.6° | 179.7° |
| C32 | C31 | C34 | F37 | 100.3° | 59.7° |
| C32 | C31 | C34 | F36 | 20.0° | 179.7° |
| C32 | C31 | C34 | F35 | 140.9° | 60.3° |
| C32 | C31 | C29 | H11 | 180.0° | 179.7° |
| C29 | C31 | C34 | F37 | 79.2° | 120.0° |
| C29 | C31 | C34 | F36 | 160.4° | 0.0° |
| C29 | C31 | C34 | F35 | 39.5° | 120.0° |
| C31 | C29 | C27 | H10 | 179.9° | 180.0° |
| C29 | C31 | C32 | H12 | 179.6° | 179.7° |
| C31 | C34 | F37 | F36 | 120.6° | 120.0° |
| C31 | C34 | F37 | F35 | 117.5° | 120.0° |
| C31 | C34 | F36 | F35 | 119.4° | 120.0° |
| C34 | C31 | C29 | H11 | 0.4° | 0.0° |
| C34 | C31 | C32 | H12 | 0.8° | 0.0° |
| F37 | C34 | F36 | F35 | 121.6° | 120.0° |
| H1 | C01 | H2 | H3 | 120.0° | 120.0° |
| H1 | C01 | N05 | H4 | 58.8° | 120.0° |
| H2 | C01 | N05 | H4 | 61.3° | 120.0° |
| H3 | C01 | N05 | H4 | 178.7° | 0.1° |
| H9 | C25 | C27 | H10 | 0.2° | 0.1° |
| H10 | C27 | C29 | H11 | 0.1° | 0.0° |
