RCU
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C16 | C15 | doub | 1.38Å | 1.40Å | Aromatic |
| C16 | C17 | sing | 1.38Å | 1.41Å | Aromatic |
| C15 | C14 | sing | 1.40Å | 1.41Å | Aromatic |
| CL23 | C17 | sing | 1.74Å | 1.78Å | |
| F21 | C19 | sing | 1.40Å | 1.37Å | |
| C17 | C18 | doub | 1.38Å | 1.39Å | Aromatic |
| C14 | N10 | sing | 1.40Å | 1.50Å | |
| C14 | C13 | doub | 1.39Å | 1.40Å | Aromatic |
| C11 | N10 | sing | 1.47Å | 1.44Å | |
| C11 | C12 | sing | 1.54Å | 1.51Å | |
| N10 | C08 | sing | 1.35Å | 1.45Å | |
| C18 | C13 | sing | 1.38Å | 1.42Å | Aromatic |
| C18 | C19 | sing | 1.51Å | 1.53Å | |
| C13 | C12 | sing | 1.51Å | 1.54Å | |
| O09 | C08 | doub | 1.21Å | 1.19Å | |
| C08 | C07 | sing | 1.51Å | 1.52Å | |
| C19 | F20 | sing | 1.40Å | 1.38Å | |
| C19 | F22 | sing | 1.40Å | 1.35Å | |
| C07 | H1 | sing | 1.09Å | 1.10Å | |
| C07 | H2 | sing | 1.09Å | 1.10Å | |
| C11 | H4 | sing | 1.09Å | 1.10Å | |
| C11 | H5 | sing | 1.09Å | 1.10Å | |
| C12 | H6 | sing | 1.09Å | 1.10Å | |
| C12 | H7 | sing | 1.09Å | 1.10Å | |
| C15 | H8 | sing | 1.08Å | 1.08Å | |
| C16 | H9 | sing | 1.08Å | 1.08Å | |
| C07 | C06 | sing | 1.53Å | 23.99Å | |
| C06 | C04 | sing | 1.51Å | 0.00Å | |
| C04 | O03 | sing | 1.34Å | 0.00Å | |
| C04 | O05 | doub | 1.21Å | 0.00Å | |
| O03 | C02 | sing | 1.45Å | 0.00Å | |
| C02 | C01 | sing | 1.53Å | 0.00Å | |
| C06 | H3 | sing | 1.09Å | 0.00Å | |
| C06 | H10 | sing | 1.09Å | 0.00Å | |
| C02 | H11 | sing | 1.09Å | 0.00Å | |
| C02 | H12 | sing | 1.09Å | 0.00Å | |
| C01 | H13 | sing | 1.09Å | 0.00Å | |
| C01 | H14 | sing | 1.09Å | 0.00Å | |
| C01 | H15 | sing | 1.09Å | 0.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C15 | C16 | C17 | 120.2° | 120.2° |
| C16 | C15 | C14 | 120.0° | 120.3° |
| C16 | C15 | H8 | 120.0° | 119.8° |
| C15 | C16 | H9 | 119.9° | 120.0° |
| C16 | C17 | CL23 | 121.0° | 120.1° |
| C16 | C17 | C18 | 120.2° | 119.8° |
| C17 | C16 | H9 | 119.9° | 119.8° |
| C15 | C14 | N10 | 132.7° | 129.3° |
| C15 | C14 | C13 | 119.8° | 119.1° |
| C14 | C15 | H8 | 120.0° | 119.9° |
| CL23 | C17 | C18 | 118.9° | 120.1° |
| F21 | C19 | C18 | 108.7° | 109.5° |
| F21 | C19 | F20 | 108.5° | 109.4° |
| F21 | C19 | F22 | 109.6° | 109.5° |
| C17 | C18 | C13 | 119.9° | 120.1° |
| C17 | C18 | C19 | 117.5° | 119.9° |
| N10 | C14 | C13 | 107.5° | 111.6° |
| C14 | N10 | C11 | 106.3° | 110.0° |
| C14 | N10 | C08 | 128.9° | 125.0° |
| C14 | C13 | C18 | 119.9° | 120.5° |
| C14 | C13 | C12 | 106.7° | 108.6° |
| N10 | C11 | C12 | 101.9° | 105.2° |
| C11 | N10 | C08 | 124.9° | 125.0° |
| N10 | C11 | H4 | 111.4° | 110.3° |
| N10 | C11 | H5 | 111.3° | 110.3° |
| C11 | C12 | C13 | 103.5° | 104.6° |
| C12 | C11 | H4 | 111.3° | 110.3° |
| C12 | C11 | H5 | 111.3° | 110.3° |
| C11 | C12 | H6 | 110.9° | 110.4° |
| C11 | C12 | H7 | 110.9° | 110.5° |
| N10 | C08 | O09 | 121.0° | 120.0° |
| N10 | C08 | C07 | 119.1° | 120.0° |
| C13 | C18 | C19 | 122.7° | 119.9° |
| C18 | C13 | C12 | 133.4° | 130.9° |
| C18 | C19 | F20 | 111.8° | 109.5° |
| C18 | C19 | F22 | 109.6° | 109.5° |
| C13 | C12 | H6 | 110.9° | 110.4° |
| C13 | C12 | H7 | 110.9° | 110.5° |
| O09 | C08 | C07 | 119.9° | 120.0° |
| C08 | C07 | H1 | 105.6° | 109.5° |
| C08 | C07 | H2 | 105.6° | 109.5° |
| C08 | C07 | C06 | 124.6° | 109.5° |
| F20 | C19 | F22 | 108.6° | 109.5° |
| H1 | C07 | H2 | 109.5° | 109.5° |
| H1 | C07 | C06 | 105.5° | 109.5° |
| H2 | C07 | C06 | 105.6° | 109.5° |
| H4 | C11 | H5 | 109.4° | 110.4° |
| H6 | C12 | H7 | 109.5° | 110.4° |
| C07 | C06 | C04 | 90.0° | 109.5° |
| C07 | C06 | H3 | 90.0° | 109.5° |
| C07 | C06 | H10 | 90.0° | 109.5° |
| C06 | C04 | O03 | 90.0° | 120.0° |
| C06 | C04 | O05 | 90.0° | 120.0° |
| C04 | C06 | H3 | 90.0° | 109.5° |
| C04 | C06 | H10 | 90.0° | 109.5° |
| O03 | C04 | O05 | 90.0° | 120.0° |
| C04 | O03 | C02 | 90.0° | 117.0° |
| O03 | C02 | C01 | 90.0° | 109.5° |
| O03 | C02 | H11 | 90.0° | 109.5° |
| O03 | C02 | H12 | 90.0° | 109.5° |
| C01 | C02 | H11 | 90.0° | 109.5° |
| C01 | C02 | H12 | 90.0° | 109.5° |
| C02 | C01 | H13 | 90.0° | 109.4° |
| C02 | C01 | H14 | 90.0° | 109.5° |
| C02 | C01 | H15 | 90.0° | 109.5° |
| H3 | C06 | H10 | 90.0° | 109.5° |
| H11 | C02 | H12 | 90.0° | 109.5° |
| H13 | C01 | H14 | 90.0° | 109.4° |
| H13 | C01 | H15 | 90.0° | 109.5° |
| H14 | C01 | H15 | 90.0° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C15 | C16 | C17 | H9 | 180.0° | 180.0° |
| C16 | C15 | C14 | H8 | 180.0° | 179.9° |
| C15 | C16 | C17 | CL23 | 179.6° | 180.0° |
| C15 | C16 | C17 | C18 | 0.1° | 0.0° |
| C16 | C15 | C14 | N10 | 179.7° | 180.0° |
| C16 | C15 | C14 | C13 | 0.6° | 0.0° |
| C17 | C16 | C15 | C14 | 0.2° | 0.0° |
| C16 | C17 | CL23 | C18 | 179.5° | 180.0° |
| C16 | C17 | C18 | C13 | 0.4° | 0.0° |
| C16 | C17 | C18 | C19 | 180.0° | 180.0° |
| C17 | C16 | C15 | H8 | 179.8° | 179.9° |
| C15 | C14 | N10 | C13 | 179.2° | 180.0° |
| C15 | C14 | N10 | C11 | 155.9° | 180.0° |
| C15 | C14 | N10 | C08 | 25.4° | 0.0° |
| C15 | C14 | C13 | C18 | 0.8° | 0.0° |
| C15 | C14 | C13 | C12 | 179.4° | 180.0° |
| C14 | C15 | C16 | H9 | 179.8° | 180.0° |
| CL23 | C17 | C18 | C13 | 179.9° | 180.0° |
| CL23 | C17 | C18 | C19 | 0.5° | 0.0° |
| CL23 | C17 | C16 | H9 | 0.4° | 0.0° |
| F21 | C19 | C18 | C17 | 99.3° | 150.0° |
| F21 | C19 | C18 | C13 | 80.4° | 30.0° |
| F21 | C19 | C18 | F20 | 119.7° | 120.0° |
| F21 | C19 | C18 | F22 | 119.8° | 120.0° |
| F21 | C19 | F20 | F22 | 119.0° | 120.0° |
| C17 | C18 | C13 | C14 | 0.7° | 0.0° |
| C17 | C18 | C13 | C19 | 179.6° | 180.0° |
| C17 | C18 | C13 | C12 | 179.5° | 179.9° |
| C17 | C18 | C19 | F20 | 20.5° | 30.0° |
| C17 | C18 | C19 | F22 | 140.9° | 90.0° |
| C18 | C17 | C16 | H9 | 179.9° | 180.0° |
| C14 | N10 | C11 | C08 | 178.8° | 180.0° |
| C14 | N10 | C11 | C12 | 36.2° | 0.0° |
| N10 | C14 | C13 | C18 | 179.9° | 180.0° |
| N10 | C14 | C13 | C12 | 0.1° | 0.0° |
| C14 | N10 | C08 | O09 | 0.8° | 0.0° |
| C14 | N10 | C08 | C07 | 179.1° | 180.0° |
| C14 | N10 | C11 | H4 | 82.6° | 118.9° |
| C14 | N10 | C11 | H5 | 155.0° | 118.9° |
| N10 | C14 | C15 | H8 | 0.3° | 0.1° |
| C13 | C14 | N10 | C11 | 23.3° | 0.0° |
| C14 | C13 | C12 | C11 | 22.1° | 0.0° |
| C13 | C14 | N10 | C08 | 155.4° | 180.0° |
| C14 | C13 | C18 | C12 | 179.7° | 179.9° |
| C14 | C13 | C18 | C19 | 179.6° | 180.0° |
| C14 | C13 | C12 | H6 | 141.1° | 118.8° |
| C14 | C13 | C12 | H7 | 97.0° | 118.9° |
| C13 | C14 | C15 | H8 | 179.4° | 179.9° |
| N10 | C11 | C12 | H4 | 118.8° | 119.0° |
| N10 | C11 | C12 | H5 | 118.8° | 118.9° |
| N10 | C11 | C12 | C13 | 35.4° | 0.0° |
| C11 | N10 | C08 | O09 | 179.3° | 180.0° |
| C11 | N10 | C08 | C07 | 2.4° | 0.0° |
| N10 | C11 | H4 | H5 | 123.5° | 122.1° |
| N10 | C11 | C12 | H6 | 154.5° | 118.7° |
| N10 | C11 | C12 | H7 | 83.6° | 118.9° |
| C12 | C11 | N10 | C08 | 142.6° | 180.0° |
| C11 | C12 | C13 | C18 | 158.2° | 180.0° |
| C11 | C12 | C13 | H6 | 119.1° | 118.8° |
| C11 | C12 | C13 | H7 | 119.0° | 118.9° |
| C12 | C11 | H4 | H5 | 123.5° | 122.1° |
| C11 | C12 | H6 | H7 | 122.7° | 122.4° |
| N10 | C08 | O09 | C07 | 178.3° | 180.0° |
| N10 | C08 | C07 | H1 | 54.2° | 60.0° |
| N10 | C08 | C07 | H2 | 61.8° | 60.0° |
| C08 | N10 | C11 | H4 | 98.6° | 61.0° |
| C08 | N10 | C11 | H5 | 23.8° | 61.1° |
| N10 | C08 | C07 | C06 | 176.2° | 180.0° |
| C13 | C18 | C19 | F20 | 159.9° | 150.0° |
| C13 | C18 | C19 | F22 | 39.4° | 90.0° |
| C18 | C13 | C12 | H6 | 39.1° | 61.3° |
| C18 | C13 | C12 | H7 | 82.8° | 61.1° |
| C19 | C18 | C13 | C12 | 0.1° | 0.1° |
| C18 | C19 | F20 | F22 | 121.1° | 120.0° |
| C13 | C12 | C11 | H4 | 83.4° | 119.0° |
| C13 | C12 | C11 | H5 | 154.2° | 118.9° |
| C13 | C12 | H6 | H7 | 122.8° | 122.5° |
| O09 | C08 | C07 | H1 | 127.5° | 120.0° |
| O09 | C08 | C07 | H2 | 116.5° | 120.0° |
| O09 | C08 | C07 | C06 | 5.5° | 0.0° |
| C08 | C07 | H1 | H2 | 113.2° | 120.0° |
| C08 | C07 | H1 | C06 | 133.6° | 120.0° |
| C08 | C07 | H2 | C06 | 133.6° | 120.0° |
| C08 | C07 | C06 | C04 | 90.0° | 180.0° |
| C08 | C07 | C06 | H3 | 90.0° | 60.0° |
| C08 | C07 | C06 | H10 | 90.0° | 60.0° |
| H1 | C07 | H2 | C06 | 113.2° | 120.0° |
| H1 | C07 | C06 | C04 | 90.0° | 60.0° |
| H1 | C07 | C06 | H3 | 90.0° | 180.0° |
| H1 | C07 | C06 | H10 | 90.0° | 60.0° |
| H2 | C07 | C06 | C04 | 90.0° | 60.0° |
| H2 | C07 | C06 | H3 | 90.0° | 60.0° |
| H2 | C07 | C06 | H10 | 90.0° | 180.0° |
| H4 | C11 | C12 | H6 | 35.7° | 122.3° |
| H4 | C11 | C12 | H7 | 157.6° | 0.0° |
| H5 | C11 | C12 | H6 | 86.7° | 0.2° |
| H5 | C11 | C12 | H7 | 35.2° | 122.2° |
| H8 | C15 | C16 | H9 | 0.2° | 0.1° |
| C07 | C06 | C04 | H3 | 90.0° | 120.0° |
| C07 | C06 | C04 | H10 | 90.0° | 120.0° |
| C07 | C06 | C04 | O03 | 90.0° | 180.0° |
| C07 | C06 | C04 | O05 | 90.0° | 0.0° |
| C07 | C06 | H3 | H10 | 90.0° | 120.0° |
| C06 | C04 | O03 | O05 | 90.0° | 180.0° |
| C06 | C04 | O03 | C02 | 90.0° | 180.0° |
| C04 | C06 | H3 | H10 | 90.0° | 120.0° |
| C04 | O03 | C02 | C01 | 90.0° | 180.0° |
| O03 | C04 | C06 | H3 | 90.0° | 60.0° |
| O03 | C04 | C06 | H10 | 90.0° | 60.0° |
| C04 | O03 | C02 | H11 | 90.0° | 60.0° |
| C04 | O03 | C02 | H12 | 90.0° | 60.0° |
| O05 | C04 | O03 | C02 | 90.0° | 0.0° |
| O05 | C04 | C06 | H3 | 90.0° | 120.0° |
| O05 | C04 | C06 | H10 | 90.0° | 120.0° |
| O03 | C02 | C01 | H11 | 90.0° | 120.0° |
| O03 | C02 | C01 | H12 | 90.0° | 120.0° |
| O03 | C02 | H11 | H12 | 90.0° | 120.0° |
| O03 | C02 | C01 | H13 | 90.0° | 179.9° |
| O03 | C02 | C01 | H14 | 90.0° | 60.0° |
| O03 | C02 | C01 | H15 | 90.0° | 60.0° |
| C01 | C02 | H11 | H12 | 90.0° | 120.0° |
| C02 | C01 | H13 | H14 | 90.0° | 120.0° |
| C02 | C01 | H13 | H15 | 90.0° | 120.0° |
| C02 | C01 | H14 | H15 | 90.0° | 120.0° |
| H11 | C02 | C01 | H13 | 90.0° | 60.1° |
| H11 | C02 | C01 | H14 | 90.0° | NaN° |
| H11 | C02 | C01 | H15 | 90.0° | 60.0° |
| H12 | C02 | C01 | H13 | 90.0° | 60.0° |
| H12 | C02 | C01 | H14 | 90.0° | 60.0° |
| H12 | C02 | C01 | H15 | 90.0° | NaN° |
| H13 | C01 | H14 | H15 | 90.0° | 120.0° |
