W9F
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C01 | C02 | sing | 1.51Å | 1.59Å | |
| C01 | C03 | sing | 1.52Å | 1.49Å | |
| C01 | C04 | sing | 1.52Å | 1.53Å | |
| C01 | C05 | sing | 1.53Å | 1.50Å | |
| C02 | C06 | doub | 1.38Å | 1.41Å | Aromatic |
| C02 | C07 | sing | 1.38Å | 1.41Å | Aromatic |
| C03 | N08 | sing | 1.35Å | 1.41Å | |
| C03 | O09 | doub | 1.21Å | 1.21Å | |
| C04 | N10 | sing | 1.35Å | 1.39Å | |
| C04 | O11 | doub | 1.21Å | 1.19Å | |
| C06 | C12 | sing | 1.38Å | 1.41Å | Aromatic |
| C07 | C13 | doub | 1.38Å | 1.41Å | Aromatic |
| N08 | C14 | sing | 1.34Å | 1.43Å | |
| N10 | C14 | sing | 1.34Å | 1.41Å | |
| C12 | C15 | doub | 1.38Å | 1.41Å | Aromatic |
| C13 | C15 | sing | 1.38Å | 1.39Å | Aromatic |
| C12 | CL16 | sing | 1.74Å | 1.70Å | |
| C14 | S17 | doub | 1.71Å | 1.61Å | |
| C15 | CL18 | sing | 1.74Å | 1.68Å | |
| C05 | H21 | sing | 1.09Å | 1.10Å | |
| C05 | H20 | sing | 1.09Å | 1.10Å | |
| C05 | H19 | sing | 1.09Å | 1.10Å | |
| C06 | H22 | sing | 1.08Å | 1.08Å | |
| C07 | H23 | sing | 1.08Å | 1.08Å | |
| C13 | H26 | sing | 1.08Å | 1.08Å | |
| N08 | H24 | sing | 0.97Å | 1.00Å | |
| N10 | H25 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C02 | C01 | C03 | 105.9° | 108.1° |
| C02 | C01 | C04 | 104.5° | 108.1° |
| C02 | C01 | C05 | 115.7° | 108.0° |
| C01 | C02 | C06 | 119.4° | 120.0° |
| C01 | C02 | C07 | 124.0° | 120.0° |
| C03 | C01 | C04 | 113.1° | 116.2° |
| C03 | C01 | C05 | 108.6° | 108.2° |
| C01 | C03 | N08 | 117.9° | 117.6° |
| C01 | C03 | O09 | 126.1° | 121.2° |
| C04 | C01 | C05 | 109.1° | 108.0° |
| C01 | C04 | N10 | 122.4° | 117.5° |
| C01 | C04 | O11 | 122.1° | 121.2° |
| C01 | C05 | H21 | 109.5° | 109.5° |
| C01 | C05 | H20 | 109.4° | 109.5° |
| C01 | C05 | H19 | 109.5° | 109.5° |
| C06 | C02 | C07 | 116.5° | 120.0° |
| C02 | C06 | C12 | 120.3° | 120.0° |
| C02 | C06 | H22 | 119.8° | 120.0° |
| C02 | C07 | C13 | 123.1° | 120.0° |
| C02 | C07 | H23 | 118.4° | 120.0° |
| N08 | C03 | O09 | 116.0° | 121.2° |
| C03 | N08 | C14 | 127.1° | 121.9° |
| C03 | N08 | H24 | 116.5° | 119.0° |
| N10 | C04 | O11 | 115.4° | 121.2° |
| C04 | N10 | C14 | 122.5° | 121.9° |
| C04 | N10 | H25 | 118.7° | 119.1° |
| C06 | C12 | C15 | 122.0° | 120.0° |
| C06 | C12 | CL16 | 116.5° | 120.0° |
| C12 | C06 | H22 | 119.8° | 120.0° |
| C07 | C13 | C15 | 120.1° | 120.0° |
| C13 | C07 | H23 | 118.5° | 120.0° |
| C07 | C13 | H26 | 120.0° | 120.0° |
| N08 | C14 | N10 | 115.4° | 124.8° |
| N08 | C14 | S17 | 124.0° | 117.6° |
| C14 | N08 | H24 | 116.5° | 119.0° |
| N10 | C14 | S17 | 120.6° | 117.6° |
| C14 | N10 | H25 | 118.8° | 119.0° |
| C12 | C15 | C13 | 117.9° | 120.0° |
| C15 | C12 | CL16 | 121.5° | 120.0° |
| C12 | C15 | CL18 | 123.1° | 120.0° |
| C13 | C15 | CL18 | 119.0° | 120.0° |
| C15 | C13 | H26 | 120.0° | 120.1° |
| H21 | C05 | H20 | 109.4° | 109.4° |
| H21 | C05 | H19 | 109.5° | 109.5° |
| H20 | C05 | H19 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C02 | C01 | C03 | C04 | 113.9° | 121.7° |
| C02 | C01 | C03 | C05 | 124.9° | 116.8° |
| C02 | C01 | C04 | C05 | 124.3° | 116.6° |
| C01 | C02 | C06 | C07 | 176.3° | 179.8° |
| C02 | C01 | C03 | N08 | 101.6° | 121.7° |
| C02 | C01 | C03 | O09 | 76.6° | 58.3° |
| C02 | C01 | C04 | N10 | 100.0° | 121.8° |
| C02 | C01 | C04 | O11 | 75.7° | 58.3° |
| C01 | C02 | C06 | C12 | 178.2° | 180.0° |
| C01 | C02 | C07 | C13 | 175.9° | 180.0° |
| C02 | C01 | C05 | H21 | 180.0° | 60.1° |
| C02 | C01 | C05 | H20 | 60.0° | 179.9° |
| C02 | C01 | C05 | H19 | 60.0° | 60.0° |
| C01 | C02 | C06 | H22 | 1.8° | 0.0° |
| C01 | C02 | C07 | H23 | 4.1° | 0.1° |
| C03 | C01 | C04 | C05 | 121.0° | 121.7° |
| C03 | C01 | C02 | C06 | 158.5° | 180.0° |
| C03 | C01 | C02 | C07 | 25.5° | 0.2° |
| C01 | C03 | N08 | O09 | 178.4° | 179.9° |
| C03 | C01 | C04 | N10 | 14.7° | 0.1° |
| C03 | C01 | C04 | O11 | 169.6° | 180.0° |
| C01 | C03 | N08 | C14 | 5.7° | 0.0° |
| C03 | C01 | C05 | H21 | 61.1° | 56.8° |
| C03 | C01 | C05 | H20 | 178.9° | 63.1° |
| C03 | C01 | C05 | H19 | 58.9° | 176.8° |
| C01 | C03 | N08 | H24 | 174.2° | 180.0° |
| C04 | C01 | C02 | C06 | 81.9° | 53.4° |
| C04 | C01 | C02 | C07 | 94.1° | 126.4° |
| C04 | C01 | C03 | N08 | 12.3° | 0.0° |
| C04 | C01 | C03 | O09 | 169.5° | 179.9° |
| C01 | C04 | N10 | O11 | 175.9° | 179.9° |
| C01 | C04 | N10 | C14 | 9.6° | 0.1° |
| C04 | C01 | C05 | H21 | 62.6° | 176.7° |
| C04 | C01 | C05 | H20 | 57.4° | 63.4° |
| C04 | C01 | C05 | H19 | 177.4° | 56.7° |
| C01 | C04 | N10 | H25 | 170.4° | 180.0° |
| C05 | C01 | C02 | C06 | 38.1° | 63.1° |
| C05 | C01 | C02 | C07 | 145.9° | 117.1° |
| C05 | C01 | C03 | N08 | 133.5° | 121.6° |
| C05 | C01 | C03 | O09 | 48.3° | 58.5° |
| C05 | C01 | C04 | N10 | 135.7° | 121.6° |
| C05 | C01 | C04 | O11 | 48.6° | 58.3° |
| C01 | C05 | H21 | H20 | 120.0° | 119.9° |
| C01 | C05 | H21 | H19 | 120.0° | 120.1° |
| C01 | C05 | H20 | H19 | 120.0° | 120.1° |
| C02 | C06 | C12 | H22 | 180.0° | 180.0° |
| C06 | C02 | C07 | C13 | 0.2° | 0.2° |
| C02 | C06 | C12 | C15 | 1.2° | 0.0° |
| C02 | C06 | C12 | CL16 | 179.9° | 180.0° |
| C06 | C02 | C07 | H23 | 179.8° | 179.7° |
| C07 | C02 | C06 | C12 | 1.9° | 0.2° |
| C02 | C07 | C13 | H23 | 180.0° | 179.9° |
| C02 | C07 | C13 | C15 | 3.0° | 0.1° |
| C07 | C02 | C06 | H22 | 178.1° | 179.8° |
| C02 | C07 | C13 | H26 | 177.0° | 180.0° |
| C03 | N08 | C14 | H24 | 180.0° | 180.0° |
| C03 | N08 | C14 | N10 | 0.5° | 0.1° |
| C03 | N08 | C14 | S17 | 179.6° | 180.0° |
| O09 | C03 | N08 | C14 | 175.9° | 179.9° |
| O09 | C03 | N08 | H24 | 4.1° | 0.0° |
| C04 | N10 | C14 | N08 | 1.4° | 0.1° |
| C04 | N10 | C14 | H25 | 180.0° | 179.9° |
| C04 | N10 | C14 | S17 | 178.5° | 179.9° |
| O11 | C04 | N10 | C14 | 174.4° | 180.0° |
| O11 | C04 | N10 | H25 | 5.6° | 0.1° |
| C06 | C12 | C15 | CL16 | 178.8° | 179.9° |
| C06 | C12 | C15 | C13 | 1.6° | 0.3° |
| C06 | C12 | C15 | CL18 | 177.6° | 180.0° |
| C07 | C13 | C15 | C12 | 3.6° | 0.3° |
| C07 | C13 | C15 | H26 | 180.0° | 180.0° |
| C07 | C13 | C15 | CL18 | 179.8° | 180.0° |
| N08 | C14 | N10 | S17 | 180.0° | 179.9° |
| N08 | C14 | N10 | H25 | 178.6° | 180.0° |
| N10 | C14 | N08 | H24 | 179.6° | 180.0° |
| C12 | C15 | C13 | CL18 | 176.2° | 179.7° |
| C15 | C12 | C06 | H22 | 178.8° | 180.0° |
| C12 | C15 | C13 | H26 | 176.4° | 179.7° |
| C13 | C15 | C12 | CL16 | 177.3° | 179.8° |
| C15 | C13 | C07 | H23 | 177.0° | 180.0° |
| CL16 | C12 | C15 | CL18 | 1.2° | 0.1° |
| CL16 | C12 | C06 | H22 | 0.1° | 0.0° |
| S17 | C14 | N08 | H24 | 0.4° | 0.1° |
| S17 | C14 | N10 | H25 | 1.5° | 0.0° |
| CL18 | C15 | C13 | H26 | 0.2° | 0.0° |
| H21 | C05 | H20 | H19 | 120.0° | 120.0° |
| H23 | C07 | C13 | H26 | 3.0° | 0.1° |
