GRZ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N24 | N25 | doub | 1.29Å | 1.31Å | Aromatic |
| N24 | N23 | sing | 1.40Å | 1.36Å | Aromatic |
| N25 | C26 | sing | 1.34Å | 1.37Å | Aromatic |
| CL1 | C16 | sing | 1.74Å | 1.74Å | |
| C15 | C16 | doub | 1.38Å | 1.38Å | Aromatic |
| C15 | C14 | sing | 1.39Å | 1.39Å | Aromatic |
| C16 | C17 | sing | 1.38Å | 1.38Å | Aromatic |
| N29 | O30 | sing | 1.42Å | 1.39Å | |
| N29 | C28 | sing | 1.35Å | 1.33Å | |
| N23 | C14 | sing | 1.40Å | 1.43Å | |
| N23 | C27 | sing | 1.35Å | 1.35Å | Aromatic |
| C26 | C28 | sing | 1.48Å | 1.49Å | |
| C26 | C27 | doub | 1.37Å | 1.37Å | Aromatic |
| C14 | C13 | doub | 1.39Å | 1.40Å | Aromatic |
| C28 | O31 | doub | 1.22Å | 1.23Å | |
| C17 | C18 | doub | 1.38Å | 1.38Å | Aromatic |
| C13 | C18 | sing | 1.39Å | 1.39Å | Aromatic |
| C13 | O12 | sing | 1.36Å | 1.40Å | |
| O12 | C4 | sing | 1.36Å | 1.40Å | |
| C4 | C3 | doub | 1.39Å | 1.39Å | Aromatic |
| C4 | C5 | sing | 1.39Å | 1.39Å | Aromatic |
| C3 | C2 | sing | 1.38Å | 1.38Å | Aromatic |
| C5 | C6 | doub | 1.38Å | 1.38Å | Aromatic |
| C2 | C1 | doub | 1.39Å | 1.37Å | Aromatic |
| C6 | C1 | sing | 1.38Å | 1.37Å | Aromatic |
| C1 | F1 | sing | 1.35Å | 1.36Å | |
| C2 | H1 | sing | 1.08Å | 1.08Å | |
| C3 | H2 | sing | 1.08Å | 1.08Å | |
| C5 | H3 | sing | 1.08Å | 1.08Å | |
| C6 | H4 | sing | 1.08Å | 1.08Å | |
| C15 | H5 | sing | 1.08Å | 1.08Å | |
| C17 | H6 | sing | 1.08Å | 1.08Å | |
| C18 | H7 | sing | 1.08Å | 1.08Å | |
| C27 | H8 | sing | 1.08Å | 1.08Å | |
| N29 | H9 | sing | 0.97Å | 1.00Å | |
| O30 | H10 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N25 | N24 | N23 | 107.2° | 108.4° |
| N24 | N25 | C26 | 108.9° | 109.6° |
| N24 | N23 | C14 | 119.6° | 126.6° |
| N24 | N23 | C27 | 110.5° | 106.8° |
| N25 | C26 | C28 | 122.9° | 125.8° |
| N25 | C26 | C27 | 108.4° | 108.4° |
| CL1 | C16 | C15 | 118.9° | 119.9° |
| CL1 | C16 | C17 | 119.1° | 120.0° |
| C16 | C15 | C14 | 119.0° | 119.9° |
| C15 | C16 | C17 | 122.0° | 120.1° |
| C16 | C15 | H5 | 120.5° | 120.0° |
| C15 | C14 | N23 | 118.7° | 120.1° |
| C15 | C14 | C13 | 119.5° | 119.9° |
| C14 | C15 | H5 | 120.5° | 120.1° |
| C16 | C17 | C18 | 119.3° | 120.2° |
| C16 | C17 | H6 | 120.3° | 119.9° |
| O30 | N29 | C28 | 120.0° | 120.0° |
| O30 | N29 | H9 | 120.0° | 120.1° |
| N29 | O30 | H10 | 109.5° | 114.0° |
| N29 | C28 | C26 | 115.3° | 120.0° |
| N29 | C28 | O31 | 123.2° | 120.0° |
| C28 | N29 | H9 | 120.0° | 120.0° |
| C14 | N23 | C27 | 130.0° | 126.6° |
| N23 | C14 | C13 | 121.8° | 120.0° |
| N23 | C27 | C26 | 105.0° | 106.8° |
| N23 | C27 | H8 | 127.5° | 126.6° |
| C28 | C26 | C27 | 128.6° | 125.8° |
| C26 | C28 | O31 | 121.4° | 120.0° |
| C26 | C27 | H8 | 127.5° | 126.6° |
| C14 | C13 | C18 | 120.4° | 119.8° |
| C14 | C13 | O12 | 117.4° | 120.1° |
| C17 | C18 | C13 | 119.9° | 120.0° |
| C18 | C17 | H6 | 120.3° | 119.9° |
| C17 | C18 | H7 | 120.1° | 120.0° |
| C18 | C13 | O12 | 122.2° | 120.1° |
| C13 | C18 | H7 | 120.1° | 120.0° |
| C13 | O12 | C4 | 121.0° | 118.0° |
| O12 | C4 | C3 | 117.3° | 120.0° |
| O12 | C4 | C5 | 122.4° | 120.1° |
| C3 | C4 | C5 | 120.2° | 119.9° |
| C4 | C3 | C2 | 120.0° | 120.0° |
| C4 | C3 | H2 | 120.0° | 120.0° |
| C4 | C5 | C6 | 119.9° | 120.0° |
| C4 | C5 | H3 | 120.1° | 120.0° |
| C3 | C2 | C1 | 118.4° | 120.0° |
| C3 | C2 | H1 | 120.8° | 120.0° |
| C2 | C3 | H2 | 120.0° | 120.0° |
| C5 | C6 | C1 | 118.4° | 120.0° |
| C6 | C5 | H3 | 120.0° | 120.0° |
| C5 | C6 | H4 | 120.8° | 119.9° |
| C2 | C1 | C6 | 123.1° | 120.1° |
| C2 | C1 | F1 | 118.4° | 120.0° |
| C1 | C2 | H1 | 120.8° | 120.0° |
| C6 | C1 | F1 | 118.5° | 120.0° |
| C1 | C6 | H4 | 120.8° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N25 | N24 | N23 | C14 | 179.8° | 179.7° |
| N25 | N24 | N23 | C27 | 0.2° | 0.4° |
| N24 | N25 | C26 | C28 | 178.2° | 179.8° |
| N24 | N25 | C26 | C27 | 0.3° | 0.5° |
| N23 | N24 | N25 | C26 | 0.3° | 0.5° |
| N24 | N23 | C14 | C15 | 43.8° | 180.0° |
| N24 | N23 | C14 | C27 | 179.5° | 179.9° |
| N24 | N23 | C27 | C26 | 0.0° | 0.1° |
| N24 | N23 | C14 | C13 | 133.8° | 0.1° |
| N24 | N23 | C27 | H8 | 180.0° | 180.0° |
| N25 | C26 | C28 | N29 | 48.0° | 0.3° |
| N25 | C26 | C27 | N23 | 0.2° | 0.2° |
| N25 | C26 | C28 | C27 | 178.2° | 179.7° |
| N25 | C26 | C28 | O31 | 133.6° | 179.7° |
| N25 | C26 | C27 | H8 | 179.8° | 179.7° |
| CL1 | C16 | C15 | C17 | 179.7° | 180.0° |
| CL1 | C16 | C15 | C14 | 179.5° | 180.0° |
| CL1 | C16 | C17 | C18 | 180.0° | 180.0° |
| CL1 | C16 | C15 | H5 | 0.5° | 0.0° |
| CL1 | C16 | C17 | H6 | 0.0° | 0.0° |
| C16 | C15 | C14 | H5 | 180.0° | 179.9° |
| C16 | C15 | C14 | N23 | 176.8° | 179.9° |
| C16 | C15 | C14 | C13 | 0.8° | 0.0° |
| C15 | C16 | C17 | C18 | 0.3° | 0.1° |
| C15 | C16 | C17 | H6 | 179.7° | 180.0° |
| C14 | C15 | C16 | C17 | 0.2° | 0.1° |
| C15 | C14 | N23 | C13 | 177.5° | 179.9° |
| C15 | C14 | N23 | C27 | 135.7° | 0.1° |
| C15 | C14 | C13 | C18 | 0.9° | 0.0° |
| C15 | C14 | C13 | O12 | 179.3° | 179.8° |
| C16 | C17 | C18 | H6 | 180.0° | 179.9° |
| C16 | C17 | C18 | C13 | 0.2° | 0.0° |
| C17 | C16 | C15 | H5 | 179.8° | 180.0° |
| C16 | C17 | C18 | H7 | 179.8° | 179.8° |
| O30 | N29 | C28 | H9 | 180.0° | 179.9° |
| O30 | N29 | C28 | C26 | 173.6° | 180.0° |
| O30 | N29 | C28 | O31 | 8.0° | 0.0° |
| N29 | C28 | C26 | O31 | 178.4° | 180.0° |
| N29 | C28 | C26 | C27 | 130.3° | 180.0° |
| C28 | N29 | O30 | H10 | 3.6° | 180.0° |
| C14 | N23 | C27 | C26 | 179.5° | 180.0° |
| N23 | C14 | C13 | C18 | 176.6° | 179.9° |
| N23 | C14 | C13 | O12 | 3.2° | 0.3° |
| N23 | C14 | C15 | H5 | 3.2° | 0.1° |
| C14 | N23 | C27 | H8 | 0.5° | 0.1° |
| N23 | C27 | C26 | C28 | 178.2° | 180.0° |
| N23 | C27 | C26 | H8 | 180.0° | 179.9° |
| C27 | N23 | C14 | C13 | 46.8° | 179.9° |
| C28 | C26 | C27 | H8 | 1.8° | 0.0° |
| C26 | C28 | N29 | H9 | 6.4° | 0.1° |
| C27 | C26 | C28 | O31 | 48.2° | 0.0° |
| C14 | C13 | C18 | C17 | 0.4° | 0.0° |
| C14 | C13 | C18 | O12 | 179.8° | 179.8° |
| C14 | C13 | O12 | C4 | 162.3° | 173.5° |
| C13 | C14 | C15 | H5 | 179.2° | 180.0° |
| C14 | C13 | C18 | H7 | 179.6° | 179.8° |
| O31 | C28 | N29 | H9 | 172.0° | 180.0° |
| C17 | C18 | C13 | H7 | 180.0° | 179.8° |
| C17 | C18 | C13 | O12 | 179.8° | 179.8° |
| C18 | C13 | O12 | C4 | 17.9° | 6.2° |
| C13 | C18 | C17 | H6 | 179.8° | 180.0° |
| C13 | O12 | C4 | C3 | 126.4° | 67.6° |
| C13 | O12 | C4 | C5 | 54.2° | 112.4° |
| O12 | C13 | C18 | H7 | 0.2° | 0.0° |
| O12 | C4 | C3 | C5 | 179.4° | 180.0° |
| O12 | C4 | C3 | C2 | 179.8° | 180.0° |
| O12 | C4 | C5 | C6 | 179.8° | 179.8° |
| O12 | C4 | C3 | H2 | 0.2° | 0.0° |
| O12 | C4 | C5 | H3 | 0.2° | 0.1° |
| C4 | C3 | C2 | H2 | 180.0° | 180.0° |
| C3 | C4 | C5 | C6 | 0.5° | 0.2° |
| C4 | C3 | C2 | C1 | 0.0° | 0.0° |
| C4 | C3 | C2 | H1 | 180.0° | 179.9° |
| C3 | C4 | C5 | H3 | 179.6° | 180.0° |
| C5 | C4 | C3 | C2 | 0.4° | 0.0° |
| C4 | C5 | C6 | H3 | 180.0° | 179.8° |
| C4 | C5 | C6 | C1 | 0.2° | 0.5° |
| C5 | C4 | C3 | H2 | 179.6° | 180.0° |
| C4 | C5 | C6 | H4 | 179.9° | 180.0° |
| C3 | C2 | C1 | H1 | 180.0° | 179.9° |
| C3 | C2 | C1 | C6 | 0.4° | 0.3° |
| C3 | C2 | C1 | F1 | 179.2° | 180.0° |
| C5 | C6 | C1 | C2 | 0.3° | 0.5° |
| C5 | C6 | C1 | H4 | 180.0° | 179.5° |
| C5 | C6 | C1 | F1 | 179.3° | 179.8° |
| C2 | C1 | C6 | F1 | 179.6° | 179.7° |
| C1 | C2 | C3 | H2 | 180.0° | 180.0° |
| C2 | C1 | C6 | H4 | 179.7° | 179.9° |
| C6 | C1 | C2 | H1 | 179.6° | 179.8° |
| C1 | C6 | C5 | H3 | 179.9° | 179.7° |
| F1 | C1 | C2 | H1 | 0.8° | 0.1° |
| F1 | C1 | C6 | H4 | 0.7° | 0.2° |
| H1 | C2 | C3 | H2 | 0.0° | 0.0° |
| H3 | C5 | C6 | H4 | 0.1° | 0.2° |
| H6 | C17 | C18 | H7 | 0.2° | 0.2° |
| H9 | N29 | O30 | H10 | 176.4° | 0.0° |
