RZE
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CL1 | C23 | sing | 1.74Å | 1.73Å | |
| C23 | C22 | doub | 1.39Å | 1.37Å | Aromatic |
| C23 | C24 | sing | 1.38Å | 1.40Å | Aromatic |
| O18 | C16 | doub | 1.21Å | 1.18Å | |
| C22 | C21 | sing | 1.39Å | 1.37Å | Aromatic |
| O17 | C16 | sing | 1.34Å | 1.26Å | |
| C24 | N25 | doub | 1.32Å | 1.33Å | Aromatic |
| C16 | C15 | sing | 1.51Å | 1.46Å | |
| C21 | F27 | sing | 1.35Å | 1.27Å | |
| C21 | C20 | doub | 1.39Å | 1.38Å | Aromatic |
| N25 | C20 | sing | 1.32Å | 1.33Å | Aromatic |
| N14 | C13 | sing | 1.47Å | 1.47Å | |
| C20 | O19 | sing | 1.36Å | 1.36Å | |
| C15 | C13 | sing | 1.53Å | 1.53Å | |
| C13 | C12 | sing | 1.53Å | 1.51Å | |
| C6 | C5 | doub | 1.38Å | 1.38Å | Aromatic |
| C6 | C1 | sing | 1.39Å | 1.38Å | Aromatic |
| C5 | C4 | sing | 1.39Å | 1.39Å | Aromatic |
| O19 | C1 | sing | 1.36Å | 1.35Å | |
| C1 | C2 | doub | 1.39Å | 1.37Å | Aromatic |
| N8 | N9 | sing | 1.29Å | 1.28Å | Aromatic |
| N8 | C7 | doub | 1.32Å | 1.23Å | Aromatic |
| C12 | N9 | sing | 1.47Å | 1.40Å | |
| C4 | C7 | sing | 1.48Å | 1.49Å | |
| C4 | C3 | doub | 1.39Å | 1.39Å | Aromatic |
| N9 | N10 | sing | 1.29Å | 1.27Å | Aromatic |
| C7 | N11 | sing | 1.34Å | 1.40Å | Aromatic |
| C2 | C3 | sing | 1.38Å | 1.37Å | Aromatic |
| N10 | N11 | doub | 1.29Å | 1.28Å | Aromatic |
| C2 | H1 | sing | 1.08Å | 1.08Å | |
| C3 | H2 | sing | 1.08Å | 1.08Å | |
| C12 | H3 | sing | 1.09Å | 1.10Å | |
| C12 | H4 | sing | 1.09Å | 1.10Å | |
| C13 | H5 | sing | 1.09Å | 1.10Å | |
| C15 | H6 | sing | 1.09Å | 1.10Å | |
| C15 | H7 | sing | 1.09Å | 1.10Å | |
| C22 | H8 | sing | 1.08Å | 1.08Å | |
| C24 | H9 | sing | 1.08Å | 1.08Å | |
| C5 | H10 | sing | 1.08Å | 1.08Å | |
| C6 | H11 | sing | 1.08Å | 1.08Å | |
| N14 | H12 | sing | 1.01Å | 1.00Å | |
| N14 | H13 | sing | 1.01Å | 1.00Å | |
| O17 | H15 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CL1 | C23 | C22 | 118.8° | 120.4° |
| CL1 | C23 | C24 | 124.0° | 120.3° |
| C22 | C23 | C24 | 117.2° | 119.3° |
| C23 | C22 | C21 | 119.6° | 118.5° |
| C23 | C22 | H8 | 120.2° | 120.7° |
| C23 | C24 | N25 | 122.2° | 120.8° |
| C23 | C24 | H9 | 118.9° | 119.6° |
| O18 | C16 | O17 | 119.5° | 120.0° |
| O18 | C16 | C15 | 122.5° | 120.0° |
| C22 | C21 | F27 | 119.2° | 120.5° |
| C22 | C21 | C20 | 120.7° | 119.1° |
| C21 | C22 | H8 | 120.2° | 120.8° |
| O17 | C16 | C15 | 117.8° | 120.0° |
| C16 | O17 | H15 | 109.5° | 117.0° |
| C24 | N25 | C20 | 120.9° | 121.8° |
| N25 | C24 | H9 | 118.9° | 119.6° |
| C16 | C15 | C13 | 105.4° | 109.5° |
| C16 | C15 | H6 | 110.5° | 109.5° |
| C16 | C15 | H7 | 110.5° | 109.5° |
| F27 | C21 | C20 | 120.1° | 120.4° |
| C21 | C20 | N25 | 119.4° | 120.6° |
| C21 | C20 | O19 | 118.2° | 119.7° |
| N25 | C20 | O19 | 122.3° | 119.7° |
| N14 | C13 | C15 | 113.3° | 109.5° |
| N14 | C13 | C12 | 112.8° | 109.5° |
| N14 | C13 | H5 | 108.4° | 109.5° |
| C13 | N14 | H12 | 109.5° | 111.0° |
| C13 | N14 | H13 | 109.5° | 111.0° |
| C20 | O19 | C1 | 119.1° | 118.0° |
| C15 | C13 | C12 | 106.6° | 109.5° |
| C15 | C13 | H5 | 107.6° | 109.5° |
| C13 | C15 | H6 | 110.5° | 109.5° |
| C13 | C15 | H7 | 110.5° | 109.5° |
| C13 | C12 | N9 | 110.0° | 109.5° |
| C13 | C12 | H3 | 109.3° | 109.5° |
| C13 | C12 | H4 | 109.3° | 109.5° |
| C12 | C13 | H5 | 107.9° | 109.5° |
| C5 | C6 | C1 | 121.2° | 120.0° |
| C6 | C5 | C4 | 118.6° | 120.0° |
| C6 | C5 | H10 | 120.7° | 120.0° |
| C5 | C6 | H11 | 119.4° | 120.0° |
| C6 | C1 | O19 | 119.2° | 119.9° |
| C6 | C1 | C2 | 120.4° | 120.2° |
| C1 | C6 | H11 | 119.4° | 120.0° |
| C5 | C4 | C7 | 119.9° | 120.1° |
| C5 | C4 | C3 | 119.6° | 119.8° |
| C4 | C5 | H10 | 120.7° | 120.0° |
| O19 | C1 | C2 | 120.4° | 119.9° |
| C1 | C2 | C3 | 119.1° | 120.0° |
| C1 | C2 | H1 | 120.5° | 120.0° |
| N9 | N8 | C7 | 105.7° | 107.8° |
| N8 | N9 | C12 | 127.1° | 125.3° |
| N8 | N9 | N10 | 111.5° | 109.3° |
| N8 | C7 | C4 | 127.7° | 126.7° |
| N8 | C7 | N11 | 111.1° | 106.7° |
| C12 | N9 | N10 | 121.5° | 125.3° |
| N9 | C12 | H3 | 109.3° | 109.4° |
| N9 | C12 | H4 | 109.3° | 109.5° |
| C7 | C4 | C3 | 120.4° | 120.1° |
| C4 | C7 | N11 | 121.1° | 126.7° |
| C4 | C3 | C2 | 121.0° | 120.0° |
| C4 | C3 | H2 | 119.5° | 120.0° |
| N9 | N10 | N11 | 109.9° | 109.0° |
| C7 | N11 | N10 | 101.8° | 107.2° |
| C3 | C2 | H1 | 120.4° | 120.0° |
| C2 | C3 | H2 | 119.4° | 120.0° |
| H3 | C12 | H4 | 109.5° | 109.5° |
| H6 | C15 | H7 | 109.5° | 109.4° |
| H12 | N14 | H13 | 109.5° | 111.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CL1 | C23 | C22 | C24 | 177.9° | 180.0° |
| CL1 | C23 | C22 | C21 | 179.7° | 180.0° |
| CL1 | C23 | C24 | N25 | 178.5° | 179.7° |
| CL1 | C23 | C22 | H8 | 0.3° | 0.0° |
| CL1 | C23 | C24 | H9 | 1.5° | 0.1° |
| C23 | C22 | C21 | H8 | 180.0° | 180.0° |
| C22 | C23 | C24 | N25 | 0.7° | 0.3° |
| C23 | C22 | C21 | F27 | 178.6° | 180.0° |
| C23 | C22 | C21 | C20 | 1.9° | 0.0° |
| C22 | C23 | C24 | H9 | 179.4° | 180.0° |
| C24 | C23 | C22 | C21 | 1.8° | 0.0° |
| C23 | C24 | N25 | H9 | 180.0° | 179.8° |
| C23 | C24 | N25 | C20 | 0.5° | 0.5° |
| C24 | C23 | C22 | H8 | 178.2° | 180.0° |
| O18 | C16 | O17 | C15 | 175.4° | 180.0° |
| O18 | C16 | C15 | C13 | 54.6° | 0.0° |
| O18 | C16 | C15 | H6 | 64.8° | 120.0° |
| O18 | C16 | C15 | H7 | 174.0° | 120.0° |
| O18 | C16 | O17 | H15 | 0.0° | 0.0° |
| C22 | C21 | F27 | C20 | 179.6° | 180.0° |
| C22 | C21 | C20 | N25 | 0.8° | 0.3° |
| C22 | C21 | C20 | O19 | 178.8° | 180.0° |
| O17 | C16 | C15 | C13 | 120.6° | 180.0° |
| O17 | C16 | C15 | H6 | 120.0° | 59.9° |
| O17 | C16 | C15 | H7 | 1.3° | 60.0° |
| C24 | N25 | C20 | C21 | 0.4° | 0.5° |
| C24 | N25 | C20 | O19 | 180.0° | 179.7° |
| C16 | C15 | C13 | N14 | 47.6° | 65.0° |
| C16 | C15 | C13 | H6 | 119.3° | 120.1° |
| C16 | C15 | C13 | H7 | 119.4° | 120.0° |
| C16 | C15 | C13 | C12 | 172.2° | 175.0° |
| C16 | C15 | C13 | H5 | 72.2° | 55.0° |
| C16 | C15 | H6 | H7 | 121.9° | 120.0° |
| C15 | C16 | O17 | H15 | 175.3° | 180.0° |
| F27 | C21 | C20 | N25 | 179.7° | 179.7° |
| F27 | C21 | C20 | O19 | 0.7° | 0.1° |
| F27 | C21 | C22 | H8 | 1.4° | 0.0° |
| C21 | C20 | N25 | O19 | 179.6° | 179.8° |
| C21 | C20 | O19 | C1 | 126.1° | 174.1° |
| C20 | C21 | C22 | H8 | 178.1° | 180.0° |
| N25 | C20 | O19 | C1 | 53.5° | 6.1° |
| C20 | N25 | C24 | H9 | 179.5° | 179.7° |
| N14 | C13 | C15 | C12 | 124.6° | 120.0° |
| N14 | C13 | C15 | H5 | 119.8° | 120.0° |
| N14 | C13 | C12 | H5 | 119.7° | 120.0° |
| N14 | C13 | C12 | N9 | 70.3° | 65.0° |
| N14 | C13 | C12 | H3 | 169.6° | 175.0° |
| N14 | C13 | C12 | H4 | 49.7° | 55.0° |
| N14 | C13 | C15 | H6 | 167.0° | 55.0° |
| N14 | C13 | C15 | H7 | 71.8° | 175.0° |
| C13 | N14 | H12 | H13 | 120.0° | 124.0° |
| C20 | O19 | C1 | C6 | 37.5° | 109.9° |
| C20 | O19 | C1 | C2 | 144.4° | 70.3° |
| C15 | C13 | C12 | H5 | 115.4° | 120.0° |
| C15 | C13 | C12 | N9 | 164.7° | 175.0° |
| C15 | C13 | C12 | H3 | 44.6° | 55.0° |
| C15 | C13 | C12 | H4 | 75.2° | 65.0° |
| C13 | C15 | H6 | H7 | 121.9° | 120.0° |
| C15 | C13 | N14 | H12 | 180.0° | 60.1° |
| C15 | C13 | N14 | H13 | 60.0° | 64.0° |
| C13 | C12 | N9 | N8 | 21.3° | 90.0° |
| C13 | C12 | N9 | H3 | 120.1° | 120.0° |
| C13 | C12 | N9 | H4 | 120.1° | 120.0° |
| C13 | C12 | N9 | N10 | 158.4° | 90.1° |
| C13 | C12 | H3 | H4 | 119.8° | 120.0° |
| C12 | C13 | C15 | H6 | 68.4° | 64.9° |
| C12 | C13 | C15 | H7 | 52.8° | 55.0° |
| C12 | C13 | N14 | H12 | 58.8° | 59.9° |
| C12 | C13 | N14 | H13 | 61.2° | 176.0° |
| C5 | C6 | C1 | H11 | 180.0° | 179.9° |
| C6 | C5 | C4 | H10 | 180.0° | 179.9° |
| C5 | C6 | C1 | O19 | 179.4° | 179.7° |
| C5 | C6 | C1 | C2 | 1.3° | 0.1° |
| C6 | C5 | C4 | C7 | 179.2° | 180.0° |
| C6 | C5 | C4 | C3 | 1.0° | 0.1° |
| C1 | C6 | C5 | C4 | 0.2° | 0.1° |
| C6 | C1 | O19 | C2 | 178.1° | 179.8° |
| C6 | C1 | C2 | C3 | 1.9° | 0.1° |
| C6 | C1 | C2 | H1 | 178.1° | 180.0° |
| C1 | C6 | C5 | H10 | 179.8° | 180.0° |
| C5 | C4 | C7 | N8 | 31.2° | 0.3° |
| C5 | C4 | C7 | C3 | 178.3° | 179.9° |
| C5 | C4 | C7 | N11 | 145.7° | 180.0° |
| C5 | C4 | C3 | C2 | 0.3° | 0.1° |
| C5 | C4 | C3 | H2 | 179.7° | 180.0° |
| C4 | C5 | C6 | H11 | 179.8° | 180.0° |
| O19 | C1 | C2 | C3 | 180.0° | 179.7° |
| O19 | C1 | C2 | H1 | 0.0° | 0.2° |
| O19 | C1 | C6 | H11 | 0.6° | 0.2° |
| C1 | C2 | C3 | C4 | 1.1° | 0.1° |
| C1 | C2 | C3 | H1 | 180.0° | 179.9° |
| C1 | C2 | C3 | H2 | 178.9° | 180.0° |
| C2 | C1 | C6 | H11 | 178.7° | 180.0° |
| N8 | N9 | C12 | N10 | 179.7° | 179.9° |
| N9 | N8 | C7 | C4 | 178.6° | 179.9° |
| N9 | N8 | C7 | N11 | 1.5° | 0.2° |
| N8 | N9 | N10 | N11 | 0.8° | 0.3° |
| N8 | N9 | C12 | H3 | 98.8° | 30.0° |
| N8 | N9 | C12 | H4 | 141.4° | 150.0° |
| C7 | N8 | N9 | C12 | 179.8° | 180.0° |
| N8 | C7 | C4 | N11 | 176.9° | 179.6° |
| N8 | C7 | C4 | C3 | 150.5° | 179.7° |
| C7 | N8 | N9 | N10 | 0.5° | 0.0° |
| N8 | C7 | N11 | N10 | 1.9° | 0.4° |
| C12 | N9 | N10 | N11 | 179.0° | 179.8° |
| N9 | C12 | H3 | H4 | 119.7° | 120.0° |
| N9 | C12 | C13 | H5 | 49.3° | 55.0° |
| C7 | C4 | C3 | C2 | 178.6° | 180.0° |
| C4 | C7 | N11 | N10 | 179.3° | 179.9° |
| C7 | C4 | C3 | H2 | 1.4° | 0.1° |
| C7 | C4 | C5 | H10 | 0.7° | 0.0° |
| C3 | C4 | C7 | N11 | 32.6° | 0.1° |
| C4 | C3 | C2 | H2 | 180.0° | 179.9° |
| C4 | C3 | C2 | H1 | 178.9° | 180.0° |
| C3 | C4 | C5 | H10 | 179.0° | 180.0° |
| N9 | N10 | N11 | C7 | 1.5° | 0.5° |
| N10 | N9 | C12 | H3 | 81.5° | 149.9° |
| N10 | N9 | C12 | H4 | 38.3° | 29.9° |
| H1 | C2 | C3 | H2 | 1.1° | 0.1° |
| H3 | C12 | C13 | H5 | 70.8° | 65.0° |
| H4 | C12 | C13 | H5 | 169.4° | 175.0° |
| H5 | C13 | C15 | H6 | 47.1° | 175.0° |
| H5 | C13 | C15 | H7 | 168.4° | 65.0° |
| H5 | C13 | N14 | H12 | 60.6° | 179.9° |
| H5 | C13 | N14 | H13 | 179.4° | 56.0° |
| H10 | C5 | C6 | H11 | 0.2° | 0.1° |
