RD9
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| F21 | C18 | sing | 1.40Å | 1.37Å | |
| C11 | C10 | sing | 1.54Å | 1.50Å | |
| C11 | C12 | sing | 1.51Å | 1.53Å | |
| C10 | N09 | sing | 1.47Å | 1.45Å | |
| F19 | C18 | sing | 1.40Å | 1.37Å | |
| C06 | C07 | sing | 1.51Å | 1.53Å | |
| N09 | C07 | sing | 1.35Å | 1.45Å | |
| N09 | C13 | sing | 1.40Å | 1.49Å | |
| C12 | C17 | doub | 1.38Å | 1.41Å | Aromatic |
| C12 | C13 | sing | 1.39Å | 1.40Å | Aromatic |
| C18 | C17 | sing | 1.51Å | 1.52Å | |
| C18 | F20 | sing | 1.40Å | 1.36Å | |
| C07 | O08 | doub | 1.21Å | 1.18Å | |
| C17 | C16 | sing | 1.38Å | 1.39Å | Aromatic |
| C13 | C14 | doub | 1.40Å | 1.41Å | Aromatic |
| C16 | C15 | doub | 1.38Å | 1.40Å | Aromatic |
| C14 | C15 | sing | 1.38Å | 1.39Å | Aromatic |
| C06 | H1 | sing | 1.09Å | 1.10Å | |
| C06 | H2 | sing | 1.09Å | 1.10Å | |
| C10 | H4 | sing | 1.09Å | 1.10Å | |
| C11 | H5 | sing | 1.09Å | 1.10Å | |
| C14 | H6 | sing | 1.08Å | 1.08Å | |
| C15 | H7 | sing | 1.08Å | 1.08Å | |
| C16 | H8 | sing | 1.08Å | 1.08Å | |
| C06 | C05 | sing | 1.53Å | 24.69Å | |
| C05 | C03 | sing | 1.51Å | 0.00Å | |
| C03 | O02 | sing | 1.34Å | 0.00Å | |
| O02 | C01 | sing | 1.45Å | 0.00Å | |
| C05 | H3 | sing | 1.09Å | 0.00Å | |
| C05 | H9 | sing | 1.09Å | 0.00Å | |
| C03 | O04 | doub | 1.21Å | 0.00Å | |
| C01 | H10 | sing | 1.09Å | 0.00Å | |
| C01 | H11 | sing | 1.09Å | 0.00Å | |
| C01 | H12 | sing | 1.09Å | 0.00Å | |
| C10 | H13 | sing | 1.09Å | 1.10Å | |
| C11 | H14 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| F21 | C18 | F19 | 110.7° | 109.4° |
| F21 | C18 | C17 | 108.6° | 109.5° |
| F21 | C18 | F20 | 108.0° | 109.5° |
| C10 | C11 | C12 | 106.7° | 104.6° |
| C11 | C10 | N09 | 106.5° | 105.2° |
| C11 | C10 | H4 | 110.2° | 110.3° |
| C10 | C11 | H5 | 110.1° | 110.5° |
| C11 | C10 | H13 | 110.2° | 110.3° |
| C10 | C11 | H14 | 110.2° | 110.4° |
| C11 | C12 | C17 | 133.2° | 131.0° |
| C11 | C12 | C13 | 108.0° | 108.6° |
| C12 | C11 | H5 | 110.2° | 110.4° |
| C12 | C11 | H14 | 110.2° | 110.4° |
| C10 | N09 | C07 | 125.4° | 125.0° |
| C10 | N09 | C13 | 109.2° | 110.1° |
| N09 | C10 | H4 | 110.2° | 110.3° |
| N09 | C10 | H13 | 110.2° | 110.3° |
| F19 | C18 | C17 | 113.6° | 109.5° |
| F19 | C18 | F20 | 109.6° | 109.5° |
| C06 | C07 | N09 | 119.8° | 120.0° |
| C06 | C07 | O08 | 120.1° | 120.0° |
| C07 | C06 | H1 | 101.6° | 109.5° |
| C07 | C06 | H2 | 101.6° | 109.4° |
| C07 | C06 | C05 | 139.0° | 109.5° |
| C07 | N09 | C13 | 125.4° | 125.0° |
| N09 | C07 | O08 | 120.2° | 120.0° |
| N09 | C13 | C12 | 109.4° | 111.6° |
| N09 | C13 | C14 | 130.1° | 129.4° |
| C17 | C12 | C13 | 118.9° | 120.5° |
| C12 | C17 | C18 | 124.1° | 119.9° |
| C12 | C17 | C16 | 120.2° | 120.1° |
| C12 | C13 | C14 | 120.4° | 119.0° |
| C17 | C18 | F20 | 106.2° | 109.5° |
| C18 | C17 | C16 | 115.7° | 119.9° |
| C17 | C16 | C15 | 120.7° | 119.9° |
| C17 | C16 | H8 | 119.6° | 120.1° |
| C13 | C14 | C15 | 120.3° | 120.3° |
| C13 | C14 | H6 | 119.8° | 119.8° |
| C16 | C15 | C14 | 119.5° | 120.2° |
| C16 | C15 | H7 | 120.3° | 119.9° |
| C15 | C16 | H8 | 119.6° | 120.0° |
| C15 | C14 | H6 | 119.8° | 119.8° |
| C14 | C15 | H7 | 120.3° | 119.9° |
| H1 | C06 | H2 | 109.5° | 109.5° |
| H1 | C06 | C05 | 101.7° | 109.5° |
| H2 | C06 | C05 | 101.7° | 109.5° |
| H4 | C10 | H13 | 109.5° | 110.3° |
| H5 | C11 | H14 | 109.5° | 110.5° |
| C06 | C05 | C03 | 90.0° | 109.5° |
| C06 | C05 | H3 | 90.0° | 109.5° |
| C06 | C05 | H9 | 90.0° | 109.5° |
| C05 | C03 | O02 | 90.0° | 120.1° |
| C03 | C05 | H3 | 90.0° | 109.4° |
| C03 | C05 | H9 | 90.0° | 109.5° |
| C05 | C03 | O04 | 90.0° | 120.0° |
| C03 | O02 | C01 | 90.0° | 117.0° |
| O02 | C03 | O04 | 90.0° | 120.0° |
| O02 | C01 | H10 | 90.0° | 109.4° |
| O02 | C01 | H11 | 90.0° | 109.5° |
| O02 | C01 | H12 | 90.0° | 109.5° |
| H3 | C05 | H9 | 90.0° | 109.5° |
| H10 | C01 | H11 | 90.0° | 109.5° |
| H10 | C01 | H12 | 90.0° | 109.4° |
| H11 | C01 | H12 | 90.0° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F21 | C18 | F19 | C17 | 122.4° | 120.0° |
| F21 | C18 | F19 | F20 | 119.0° | 120.0° |
| F21 | C18 | C17 | C12 | 119.7° | 60.0° |
| F21 | C18 | C17 | F20 | 115.9° | 120.0° |
| F21 | C18 | C17 | C16 | 60.8° | 120.0° |
| C10 | C11 | C12 | H5 | 119.5° | 118.8° |
| C10 | C11 | C12 | H14 | 119.6° | 118.8° |
| C11 | C10 | N09 | H4 | 119.6° | 118.9° |
| C11 | C10 | N09 | H13 | 119.5° | 119.0° |
| C11 | C10 | N09 | C07 | 177.9° | 180.0° |
| C11 | C10 | N09 | C13 | 3.7° | 0.0° |
| C10 | C11 | C12 | C17 | 177.0° | 180.0° |
| C10 | C11 | C12 | C13 | 3.5° | 0.0° |
| C11 | C10 | H4 | H13 | 121.4° | 122.1° |
| C10 | C11 | H5 | H14 | 121.3° | 122.4° |
| C12 | C11 | C10 | N09 | 4.4° | 0.0° |
| C11 | C12 | C13 | N09 | 1.3° | 0.0° |
| C11 | C12 | C17 | C13 | 179.4° | 180.0° |
| C11 | C12 | C17 | C18 | 0.3° | 0.0° |
| C11 | C12 | C17 | C16 | 179.9° | 180.0° |
| C11 | C12 | C13 | C14 | 179.3° | 180.0° |
| C12 | C11 | C10 | H4 | 123.9° | 118.9° |
| C12 | C11 | H5 | H14 | 121.3° | 122.4° |
| C12 | C11 | C10 | H13 | 115.1° | 119.0° |
| C10 | N09 | C07 | C06 | 0.9° | 0.1° |
| C10 | N09 | C07 | C13 | 178.1° | 179.9° |
| C10 | N09 | C13 | C12 | 1.6° | 0.0° |
| C10 | N09 | C07 | O08 | 179.8° | 180.0° |
| C10 | N09 | C13 | C14 | 176.2° | 180.0° |
| N09 | C10 | H4 | H13 | 121.3° | 122.1° |
| N09 | C10 | C11 | H5 | 123.9° | 118.8° |
| N09 | C10 | C11 | H14 | 115.2° | 118.7° |
| F19 | C18 | C17 | C12 | 3.9° | 60.0° |
| F19 | C18 | C17 | F20 | 120.5° | 120.0° |
| F19 | C18 | C17 | C16 | 175.7° | 120.1° |
| C06 | C07 | N09 | O08 | 179.3° | 179.9° |
| C06 | C07 | N09 | C13 | 179.0° | 180.0° |
| C07 | C06 | H1 | H2 | 106.9° | 120.0° |
| C07 | C06 | H1 | C05 | 146.1° | 120.0° |
| C07 | C06 | H2 | C05 | 146.1° | 120.0° |
| C07 | C06 | C05 | C03 | 90.0° | 180.0° |
| C07 | C06 | C05 | H3 | 90.0° | 60.0° |
| C07 | C06 | C05 | H9 | 90.0° | 60.0° |
| C07 | N09 | C13 | C12 | 179.9° | 180.0° |
| C07 | N09 | C13 | C14 | 2.2° | 0.1° |
| N09 | C07 | C06 | H1 | 85.7° | 59.9° |
| N09 | C07 | C06 | H2 | 27.3° | 60.0° |
| C07 | N09 | C10 | H4 | 58.4° | 61.1° |
| N09 | C07 | C06 | C05 | 150.8° | 179.9° |
| C07 | N09 | C10 | H13 | 62.5° | 61.0° |
| N09 | C13 | C12 | C17 | 179.2° | 180.0° |
| N09 | C13 | C12 | C14 | 178.0° | 180.0° |
| C13 | N09 | C07 | O08 | 1.7° | 0.1° |
| N09 | C13 | C14 | C15 | 178.7° | 180.0° |
| C13 | N09 | C10 | H4 | 123.3° | 119.0° |
| N09 | C13 | C14 | H6 | 1.3° | 0.0° |
| C13 | N09 | C10 | H13 | 115.8° | 119.0° |
| C12 | C17 | C18 | C16 | 179.6° | 180.0° |
| C12 | C17 | C18 | F20 | 124.4° | 180.0° |
| C17 | C12 | C13 | C14 | 1.2° | 0.0° |
| C12 | C17 | C16 | C15 | 0.3° | 0.0° |
| C17 | C12 | C11 | H5 | 57.5° | 61.2° |
| C12 | C17 | C16 | H8 | 179.7° | 180.0° |
| C17 | C12 | C11 | H14 | 63.4° | 61.2° |
| C13 | C12 | C17 | C18 | 179.7° | 180.0° |
| C13 | C12 | C17 | C16 | 0.7° | 0.0° |
| C12 | C13 | C14 | C15 | 1.2° | 0.0° |
| C13 | C12 | C11 | H5 | 123.1° | 118.8° |
| C12 | C13 | C14 | H6 | 178.8° | 180.0° |
| C13 | C12 | C11 | H14 | 116.0° | 118.8° |
| C18 | C17 | C16 | C15 | 179.8° | 180.0° |
| C18 | C17 | C16 | H8 | 0.1° | 0.0° |
| F20 | C18 | C17 | C16 | 55.1° | 0.0° |
| O08 | C07 | C06 | H1 | 93.7° | 120.0° |
| O08 | C07 | C06 | H2 | 153.4° | 120.0° |
| O08 | C07 | C06 | C05 | 29.9° | 0.0° |
| C17 | C16 | C15 | H8 | 180.0° | 180.0° |
| C17 | C16 | C15 | C14 | 0.3° | 0.0° |
| C17 | C16 | C15 | H7 | 179.7° | 180.0° |
| C13 | C14 | C15 | C16 | 0.7° | 0.0° |
| C13 | C14 | C15 | H6 | 180.0° | 180.0° |
| C13 | C14 | C15 | H7 | 179.3° | 180.0° |
| C16 | C15 | C14 | H7 | 180.0° | 180.0° |
| C16 | C15 | C14 | H6 | 179.2° | 180.0° |
| C14 | C15 | C16 | H8 | 179.7° | 180.0° |
| H1 | C06 | H2 | C05 | 107.0° | 120.0° |
| H1 | C06 | C05 | C03 | 90.0° | 60.0° |
| H1 | C06 | C05 | H3 | 90.0° | 180.0° |
| H1 | C06 | C05 | H9 | 90.0° | 60.0° |
| H2 | C06 | C05 | C03 | 90.0° | 60.0° |
| H2 | C06 | C05 | H3 | 90.0° | 60.0° |
| H2 | C06 | C05 | H9 | 90.0° | 180.0° |
| H4 | C10 | C11 | H5 | 116.5° | 122.3° |
| H4 | C10 | C11 | H14 | 4.4° | 0.2° |
| H5 | C11 | C10 | H13 | 4.4° | 0.2° |
| H6 | C14 | C15 | H7 | 0.7° | 0.1° |
| H7 | C15 | C16 | H8 | 0.3° | 0.0° |
| C06 | C05 | C03 | H3 | 90.0° | 120.0° |
| C06 | C05 | C03 | H9 | 90.0° | 120.1° |
| C06 | C05 | C03 | O02 | 90.0° | 180.0° |
| C06 | C05 | H3 | H9 | 90.0° | 120.0° |
| C06 | C05 | C03 | O04 | 90.0° | 0.1° |
| C05 | C03 | O02 | O04 | 90.0° | 179.9° |
| C05 | C03 | O02 | C01 | 90.0° | 180.0° |
| C03 | C05 | H3 | H9 | 90.0° | 120.0° |
| O02 | C03 | C05 | H3 | 90.0° | 60.0° |
| O02 | C03 | C05 | H9 | 90.0° | 59.9° |
| C03 | O02 | C01 | H10 | 90.0° | 180.0° |
| C03 | O02 | C01 | H11 | 90.0° | 60.0° |
| C03 | O02 | C01 | H12 | 90.0° | 60.0° |
| C01 | O02 | C03 | O04 | 90.0° | 0.0° |
| O02 | C01 | H10 | H11 | 90.0° | 120.1° |
| O02 | C01 | H10 | H12 | 90.0° | 120.0° |
| O02 | C01 | H11 | H12 | 90.0° | 120.1° |
| H3 | C05 | C03 | O04 | 90.0° | 120.0° |
| H9 | C05 | C03 | O04 | 90.0° | 120.0° |
| H10 | C01 | H11 | H12 | 90.0° | 119.9° |
| H13 | C10 | C11 | H14 | 125.3° | 122.3° |
