RDO
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| F20 | C19 | sing | 1.40Å | 1.36Å | |
| C12 | C11 | sing | 1.54Å | 1.50Å | |
| C12 | C13 | sing | 1.51Å | 1.53Å | |
| C11 | N10 | sing | 1.46Å | 1.45Å | |
| F21 | C19 | sing | 1.40Å | 1.37Å | |
| C07 | C08 | sing | 1.51Å | 1.53Å | |
| C19 | C18 | sing | 1.51Å | 1.52Å | |
| C19 | F22 | sing | 1.40Å | 1.36Å | |
| C13 | C18 | doub | 1.38Å | 1.41Å | Aromatic |
| C13 | C14 | sing | 1.39Å | 1.40Å | Aromatic |
| N10 | C08 | sing | 1.35Å | 1.45Å | |
| N10 | C14 | sing | 1.40Å | 1.49Å | |
| C08 | O09 | doub | 1.21Å | 1.18Å | |
| C18 | C17 | sing | 1.38Å | 1.39Å | Aromatic |
| C14 | C15 | doub | 1.40Å | 1.41Å | Aromatic |
| C17 | C16 | doub | 1.38Å | 1.40Å | Aromatic |
| C15 | C16 | sing | 1.38Å | 1.39Å | Aromatic |
| C07 | H1 | sing | 1.09Å | 1.10Å | |
| C07 | H2 | sing | 1.09Å | 1.10Å | |
| C11 | H4 | sing | 1.09Å | 1.10Å | |
| C12 | H5 | sing | 1.09Å | 1.10Å | |
| C15 | H6 | sing | 1.08Å | 1.08Å | |
| C16 | H7 | sing | 1.08Å | 1.08Å | |
| C17 | H8 | sing | 1.08Å | 1.08Å | |
| C07 | C06 | sing | 1.53Å | 24.47Å | |
| C06 | C04 | sing | 1.51Å | 0.00Å | |
| C04 | O03 | sing | 1.34Å | 0.00Å | |
| O03 | C02 | sing | 1.45Å | 0.00Å | |
| C04 | O05 | doub | 1.21Å | 0.00Å | |
| C02 | C01 | sing | 1.53Å | 0.00Å | |
| C06 | H3 | sing | 1.09Å | 0.00Å | |
| C06 | H9 | sing | 1.09Å | 0.00Å | |
| C02 | H10 | sing | 1.09Å | 0.00Å | |
| C02 | H11 | sing | 1.09Å | 0.00Å | |
| C01 | H12 | sing | 1.09Å | 0.00Å | |
| C01 | H13 | sing | 1.09Å | 0.00Å | |
| C01 | H14 | sing | 1.09Å | 0.00Å | |
| C11 | H15 | sing | 1.09Å | 1.10Å | |
| C12 | H16 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| F20 | C19 | F21 | 107.8° | 109.4° |
| F20 | C19 | C18 | 105.2° | 109.5° |
| F20 | C19 | F22 | 109.7° | 109.4° |
| C11 | C12 | C13 | 106.2° | 104.6° |
| C12 | C11 | N10 | 106.7° | 105.2° |
| C12 | C11 | H4 | 110.2° | 110.3° |
| C11 | C12 | H5 | 110.3° | 110.4° |
| C12 | C11 | H15 | 110.2° | 110.4° |
| C11 | C12 | H16 | 110.3° | 110.4° |
| C12 | C13 | C18 | 132.6° | 131.0° |
| C12 | C13 | C14 | 108.3° | 108.6° |
| C13 | C12 | H5 | 110.3° | 110.4° |
| C13 | C12 | H16 | 110.3° | 110.4° |
| C11 | N10 | C08 | 125.9° | 124.9° |
| C11 | N10 | C14 | 109.1° | 110.1° |
| N10 | C11 | H4 | 110.1° | 110.3° |
| N10 | C11 | H15 | 110.1° | 110.3° |
| F21 | C19 | C18 | 115.3° | 109.5° |
| F21 | C19 | F22 | 111.0° | 109.5° |
| C07 | C08 | N10 | 121.0° | 120.0° |
| C07 | C08 | O09 | 119.4° | 120.0° |
| C08 | C07 | H1 | 100.9° | 109.5° |
| C08 | C07 | H2 | 100.9° | 109.4° |
| C08 | C07 | C06 | 141.8° | 109.5° |
| C18 | C19 | F22 | 107.6° | 109.5° |
| C19 | C18 | C13 | 123.6° | 119.9° |
| C19 | C18 | C17 | 116.0° | 119.9° |
| C18 | C13 | C14 | 119.1° | 120.4° |
| C13 | C18 | C17 | 120.4° | 120.2° |
| C13 | C14 | N10 | 109.2° | 111.6° |
| C13 | C14 | C15 | 120.2° | 119.1° |
| C08 | N10 | C14 | 125.0° | 125.0° |
| N10 | C08 | O09 | 119.6° | 120.0° |
| N10 | C14 | C15 | 130.5° | 129.3° |
| C18 | C17 | C16 | 120.4° | 119.8° |
| C18 | C17 | H8 | 119.8° | 120.1° |
| C14 | C15 | C16 | 120.3° | 120.3° |
| C14 | C15 | H6 | 119.9° | 119.9° |
| C17 | C16 | C15 | 119.6° | 120.2° |
| C17 | C16 | H7 | 120.2° | 119.9° |
| C16 | C17 | H8 | 119.8° | 120.1° |
| C16 | C15 | H6 | 119.9° | 119.8° |
| C15 | C16 | H7 | 120.2° | 119.9° |
| H1 | C07 | H2 | 109.5° | 109.5° |
| H1 | C07 | C06 | 100.9° | 109.5° |
| H2 | C07 | C06 | 100.9° | 109.5° |
| H4 | C11 | H15 | 109.5° | 110.3° |
| H5 | C12 | H16 | 109.4° | 110.5° |
| C07 | C06 | C04 | 90.0° | 109.5° |
| C07 | C06 | H3 | 90.0° | 109.4° |
| C07 | C06 | H9 | 90.0° | 109.5° |
| C06 | C04 | O03 | 90.0° | 120.0° |
| C06 | C04 | O05 | 90.0° | 120.1° |
| C04 | C06 | H3 | 90.0° | 109.5° |
| C04 | C06 | H9 | 90.0° | 109.5° |
| C04 | O03 | C02 | 90.0° | 117.0° |
| O03 | C04 | O05 | 90.0° | 120.0° |
| O03 | C02 | C01 | 90.0° | 109.5° |
| O03 | C02 | H10 | 90.0° | 109.5° |
| O03 | C02 | H11 | 90.0° | 109.5° |
| C01 | C02 | H10 | 90.0° | 109.5° |
| C01 | C02 | H11 | 90.0° | 109.4° |
| C02 | C01 | H12 | 90.0° | 109.5° |
| C02 | C01 | H13 | 90.0° | 109.5° |
| C02 | C01 | H14 | 90.0° | 109.4° |
| H3 | C06 | H9 | 90.0° | 109.5° |
| H10 | C02 | H11 | 90.0° | 109.5° |
| H12 | C01 | H13 | 90.0° | 109.5° |
| H12 | C01 | H14 | 90.0° | 109.4° |
| H13 | C01 | H14 | 90.0° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F20 | C19 | F21 | C18 | 117.2° | 120.0° |
| F20 | C19 | F21 | F22 | 120.2° | 119.9° |
| F20 | C19 | C18 | F22 | 116.9° | 120.0° |
| F20 | C19 | C18 | C13 | 98.8° | 60.0° |
| F20 | C19 | C18 | C17 | 79.9° | 120.0° |
| C11 | C12 | C13 | H5 | 119.5° | 118.8° |
| C11 | C12 | C13 | H16 | 119.5° | 118.7° |
| C12 | C11 | N10 | H4 | 119.6° | 118.9° |
| C12 | C11 | N10 | H15 | 119.6° | 119.0° |
| C11 | C12 | C13 | C18 | 175.0° | 180.0° |
| C11 | C12 | C13 | C14 | 4.9° | 0.0° |
| C12 | C11 | N10 | C08 | 175.5° | 180.0° |
| C12 | C11 | N10 | C14 | 5.9° | 0.0° |
| C12 | C11 | H4 | H15 | 121.3° | 122.1° |
| C11 | C12 | H5 | H16 | 121.5° | 122.4° |
| C13 | C12 | C11 | N10 | 6.5° | 0.0° |
| C12 | C13 | C18 | C19 | 1.4° | 0.0° |
| C12 | C13 | C18 | C14 | 179.9° | 180.0° |
| C12 | C13 | C14 | N10 | 1.3° | 0.0° |
| C12 | C13 | C18 | C17 | 179.9° | 180.0° |
| C12 | C13 | C14 | C15 | 179.1° | 180.0° |
| C13 | C12 | C11 | H4 | 126.0° | 118.9° |
| C13 | C12 | H5 | H16 | 121.5° | 122.5° |
| C13 | C12 | C11 | H15 | 113.1° | 119.0° |
| C11 | N10 | C08 | C07 | 0.8° | 0.1° |
| C11 | N10 | C14 | C13 | 2.9° | 0.0° |
| C11 | N10 | C08 | C14 | 178.4° | 179.9° |
| C11 | N10 | C08 | O09 | 179.9° | 180.0° |
| C11 | N10 | C14 | C15 | 174.6° | 180.0° |
| N10 | C11 | H4 | H15 | 121.3° | 122.1° |
| N10 | C11 | C12 | H5 | 126.0° | 118.8° |
| N10 | C11 | C12 | H16 | 113.0° | 118.8° |
| F21 | C19 | C18 | F22 | 124.5° | 120.0° |
| F21 | C19 | C18 | C13 | 19.8° | 60.0° |
| F21 | C19 | C18 | C17 | 161.5° | 120.0° |
| C07 | C08 | N10 | O09 | 179.3° | 179.9° |
| C07 | C08 | N10 | C14 | 179.1° | 180.0° |
| C08 | C07 | H1 | H2 | 105.8° | 119.9° |
| C08 | C07 | H1 | C06 | 148.5° | 120.1° |
| C08 | C07 | H2 | C06 | 148.4° | 120.0° |
| C08 | C07 | C06 | C04 | 90.0° | 180.0° |
| C08 | C07 | C06 | H3 | 90.0° | 60.0° |
| C08 | C07 | C06 | H9 | 90.0° | 60.0° |
| C19 | C18 | C13 | C17 | 178.7° | 180.0° |
| C19 | C18 | C13 | C14 | 178.8° | 180.0° |
| C19 | C18 | C17 | C16 | 179.3° | 180.0° |
| C19 | C18 | C17 | H8 | 0.7° | 0.0° |
| F22 | C19 | C18 | C13 | 144.3° | 180.0° |
| F22 | C19 | C18 | C17 | 37.0° | 0.0° |
| C18 | C13 | C14 | N10 | 178.6° | 180.0° |
| C18 | C13 | C14 | C15 | 0.8° | 0.0° |
| C13 | C18 | C17 | C16 | 0.5° | 0.0° |
| C18 | C13 | C12 | H5 | 55.5° | 61.2° |
| C13 | C18 | C17 | H8 | 179.4° | 180.0° |
| C18 | C13 | C12 | H16 | 65.5° | 61.3° |
| C13 | C14 | N10 | C08 | 178.5° | 180.0° |
| C13 | C14 | N10 | C15 | 177.5° | 180.0° |
| C14 | C13 | C18 | C17 | 0.1° | 0.0° |
| C13 | C14 | C15 | C16 | 1.3° | 0.0° |
| C14 | C13 | C12 | H5 | 124.3° | 118.8° |
| C13 | C14 | C15 | H6 | 178.7° | 180.0° |
| C14 | C13 | C12 | H16 | 114.7° | 118.7° |
| C08 | N10 | C14 | C15 | 4.1° | 0.1° |
| N10 | C08 | C07 | H1 | 86.0° | 59.9° |
| N10 | C08 | C07 | H2 | 26.5° | 60.0° |
| C08 | N10 | C11 | H4 | 56.0° | 61.1° |
| N10 | C08 | C07 | C06 | 150.2° | 179.9° |
| C08 | N10 | C11 | H15 | 64.9° | 61.0° |
| C14 | N10 | C08 | O09 | 1.5° | 0.1° |
| N10 | C14 | C15 | C16 | 178.5° | 180.0° |
| C14 | N10 | C11 | H4 | 125.4° | 118.9° |
| N10 | C14 | C15 | H6 | 1.5° | 0.0° |
| C14 | N10 | C11 | H15 | 113.7° | 119.0° |
| O09 | C08 | C07 | H1 | 93.3° | 120.0° |
| O09 | C08 | C07 | H2 | 154.2° | 120.1° |
| O09 | C08 | C07 | C06 | 30.4° | 0.0° |
| C18 | C17 | C16 | H8 | 180.0° | 180.0° |
| C18 | C17 | C16 | C15 | 0.1° | 0.0° |
| C18 | C17 | C16 | H7 | 179.9° | 180.0° |
| C14 | C15 | C16 | C17 | 0.8° | 0.0° |
| C14 | C15 | C16 | H6 | 180.0° | 180.0° |
| C14 | C15 | C16 | H7 | 179.2° | 180.0° |
| C17 | C16 | C15 | H7 | 180.0° | 180.0° |
| C17 | C16 | C15 | H6 | 179.2° | 180.0° |
| C15 | C16 | C17 | H8 | 179.9° | 180.0° |
| H1 | C07 | H2 | C06 | 105.8° | 120.0° |
| H1 | C07 | C06 | C04 | 90.0° | 60.0° |
| H1 | C07 | C06 | H3 | 90.0° | 180.0° |
| H1 | C07 | C06 | H9 | 90.0° | 60.0° |
| H2 | C07 | C06 | C04 | 90.0° | 60.0° |
| H2 | C07 | C06 | H3 | 90.0° | 60.0° |
| H2 | C07 | C06 | H9 | 90.0° | 179.9° |
| H4 | C11 | C12 | H5 | 114.5° | 122.3° |
| H4 | C11 | C12 | H16 | 6.5° | 0.1° |
| H5 | C12 | C11 | H15 | 6.5° | 0.2° |
| H6 | C15 | C16 | H7 | 0.8° | 0.1° |
| H7 | C16 | C17 | H8 | 0.1° | 0.0° |
| C07 | C06 | C04 | H3 | 90.0° | 119.9° |
| C07 | C06 | C04 | H9 | 90.0° | 120.0° |
| C07 | C06 | C04 | O03 | 90.0° | 180.0° |
| C07 | C06 | C04 | O05 | 90.0° | 0.1° |
| C07 | C06 | H3 | H9 | 90.0° | 120.0° |
| C06 | C04 | O03 | O05 | 90.0° | 179.9° |
| C06 | C04 | O03 | C02 | 90.0° | 180.0° |
| C04 | C06 | H3 | H9 | 90.0° | 120.1° |
| C04 | O03 | C02 | C01 | 90.0° | 180.0° |
| O03 | C04 | C06 | H3 | 90.0° | 60.1° |
| O03 | C04 | C06 | H9 | 90.0° | 60.0° |
| C04 | O03 | C02 | H10 | 90.0° | 60.0° |
| C04 | O03 | C02 | H11 | 90.0° | 60.0° |
| C02 | O03 | C04 | O05 | 90.0° | 0.0° |
| O03 | C02 | C01 | H10 | 90.0° | 120.1° |
| O03 | C02 | C01 | H11 | 90.0° | 120.0° |
| O03 | C02 | H10 | H11 | 90.0° | 120.0° |
| O03 | C02 | C01 | H12 | 90.0° | 180.0° |
| O03 | C02 | C01 | H13 | 90.0° | 59.9° |
| O03 | C02 | C01 | H14 | 90.0° | 60.0° |
| O05 | C04 | C06 | H3 | 90.0° | 120.0° |
| O05 | C04 | C06 | H9 | 90.0° | 120.0° |
| C01 | C02 | H10 | H11 | 90.0° | 120.0° |
| C02 | C01 | H12 | H13 | 90.0° | 120.0° |
| C02 | C01 | H12 | H14 | 90.0° | 119.9° |
| C02 | C01 | H13 | H14 | 90.0° | 120.0° |
| H10 | C02 | C01 | H12 | 90.0° | 59.9° |
| H10 | C02 | C01 | H13 | 90.0° | 180.0° |
| H10 | C02 | C01 | H14 | 90.0° | 60.0° |
| H11 | C02 | C01 | H12 | 90.0° | 60.0° |
| H11 | C02 | C01 | H13 | 90.0° | 60.0° |
| H11 | C02 | C01 | H14 | 90.0° | 180.0° |
| H12 | C01 | H13 | H14 | 90.0° | 120.0° |
| H15 | C11 | C12 | H16 | 127.4° | 122.3° |
