MF9
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C01 | C02 | sing | 1.51Å | 1.51Å | |
| C02 | O04 | doub | 1.21Å | 1.27Å | |
| C01 | C05 | sing | 1.53Å | 1.52Å | |
| S03 | C05 | sing | 1.81Å | 1.77Å | |
| S03 | C06 | sing | 1.76Å | 1.75Å | |
| C02 | O08 | sing | 1.34Å | 1.27Å | |
| C07 | CL09 | sing | 1.74Å | 1.71Å | |
| C06 | C10 | doub | 1.39Å | 1.40Å | Aromatic |
| C06 | C11 | sing | 1.39Å | 1.41Å | Aromatic |
| C07 | C12 | sing | 1.38Å | 1.39Å | Aromatic |
| C11 | C12 | doub | 1.38Å | 1.40Å | Aromatic |
| C07 | C13 | doub | 1.38Å | 1.42Å | Aromatic |
| C10 | C13 | sing | 1.38Å | 1.38Å | Aromatic |
| C05 | C14 | sing | 1.53Å | 1.48Å | |
| C01 | H15 | sing | 1.09Å | 1.10Å | |
| C01 | H16 | sing | 1.09Å | 1.10Å | |
| C05 | H17 | sing | 1.09Å | 1.10Å | |
| O08 | H1 | sing | 0.97Å | 0.95Å | |
| C10 | H19 | sing | 1.08Å | 1.08Å | |
| C11 | H20 | sing | 1.08Å | 1.08Å | |
| C13 | H22 | sing | 1.08Å | 1.08Å | |
| C12 | H21 | sing | 1.08Å | 1.08Å | |
| C14 | H25 | sing | 1.09Å | 1.10Å | |
| C14 | H24 | sing | 1.09Å | 1.10Å | |
| C14 | H23 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C01 | C02 | O04 | 119.2° | 120.0° |
| C02 | C01 | C05 | 114.9° | 109.4° |
| C01 | C02 | O08 | 120.6° | 119.9° |
| C02 | C01 | H15 | 108.1° | 109.5° |
| C02 | C01 | H16 | 108.1° | 109.4° |
| O04 | C02 | O08 | 120.1° | 120.0° |
| C01 | C05 | S03 | 115.0° | 109.5° |
| C01 | C05 | C14 | 109.2° | 109.5° |
| C05 | C01 | H15 | 108.1° | 109.5° |
| C05 | C01 | H16 | 108.1° | 109.5° |
| C01 | C05 | H17 | 108.6° | 109.5° |
| C05 | S03 | C06 | 106.7° | 103.0° |
| S03 | C05 | C14 | 108.8° | 109.5° |
| S03 | C05 | H17 | 105.9° | 109.5° |
| S03 | C06 | C10 | 116.6° | 120.1° |
| S03 | C06 | C11 | 126.2° | 120.0° |
| C02 | O08 | H1 | 109.5° | 117.0° |
| CL09 | C07 | C12 | 119.6° | 119.9° |
| CL09 | C07 | C13 | 120.5° | 119.9° |
| C10 | C06 | C11 | 117.2° | 119.9° |
| C06 | C10 | C13 | 122.6° | 120.0° |
| C06 | C10 | H19 | 118.7° | 120.0° |
| C06 | C11 | C12 | 121.4° | 119.9° |
| C06 | C11 | H20 | 119.3° | 120.1° |
| C07 | C12 | C11 | 119.6° | 120.1° |
| C12 | C07 | C13 | 119.9° | 120.1° |
| C07 | C12 | H21 | 120.2° | 119.9° |
| C12 | C11 | H20 | 119.3° | 120.0° |
| C11 | C12 | H21 | 120.2° | 120.0° |
| C07 | C13 | C10 | 118.9° | 120.1° |
| C07 | C13 | H22 | 120.6° | 120.0° |
| C13 | C10 | H19 | 118.7° | 120.0° |
| C10 | C13 | H22 | 120.6° | 120.0° |
| C14 | C05 | H17 | 109.2° | 109.5° |
| C05 | C14 | H25 | 109.5° | 109.5° |
| C05 | C14 | H24 | 109.5° | 109.5° |
| C05 | C14 | H23 | 109.5° | 109.4° |
| H15 | C01 | H16 | 109.5° | 109.5° |
| H25 | C14 | H24 | 109.5° | 109.5° |
| H25 | C14 | H23 | 109.5° | 109.5° |
| H24 | C14 | H23 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C01 | C02 | O04 | O08 | 179.4° | 179.9° |
| C02 | C01 | C05 | H15 | 120.8° | 120.0° |
| C02 | C01 | C05 | H16 | 120.8° | 119.9° |
| C02 | C01 | C05 | S03 | 173.8° | 65.0° |
| C02 | C01 | C05 | C14 | 63.6° | 175.0° |
| C02 | C01 | H15 | H16 | 117.5° | 120.0° |
| C02 | C01 | C05 | H17 | 55.4° | 55.0° |
| C01 | C02 | O08 | H1 | 179.4° | 180.0° |
| O04 | C02 | C01 | C05 | 165.3° | 0.1° |
| O04 | C02 | C01 | H15 | 73.9° | 119.9° |
| O04 | C02 | C01 | H16 | 44.6° | 120.0° |
| O04 | C02 | O08 | H1 | 0.0° | 0.1° |
| C01 | C05 | S03 | C14 | 122.9° | 120.0° |
| C01 | C05 | S03 | H17 | 119.9° | 120.0° |
| C01 | C05 | S03 | C06 | 76.0° | 173.0° |
| C05 | C01 | C02 | O08 | 15.3° | 180.0° |
| C01 | C05 | C14 | H17 | 118.6° | 120.0° |
| C05 | C01 | H15 | H16 | 117.5° | 120.0° |
| C01 | C05 | C14 | H25 | 180.0° | 54.0° |
| C01 | C05 | C14 | H24 | 60.0° | 174.1° |
| C01 | C05 | C14 | H23 | 60.0° | 65.9° |
| C05 | S03 | C06 | C10 | 176.3° | 85.0° |
| C05 | S03 | C06 | C11 | 1.5° | 95.3° |
| S03 | C05 | C14 | H17 | 115.1° | 120.0° |
| S03 | C05 | C01 | H15 | 53.0° | 55.0° |
| S03 | C05 | C01 | H16 | 65.5° | 175.1° |
| S03 | C05 | C14 | H25 | 53.6° | 174.0° |
| S03 | C05 | C14 | H24 | 66.3° | 65.9° |
| S03 | C05 | C14 | H23 | 173.7° | 54.1° |
| S03 | C06 | C10 | C11 | 178.0° | 179.7° |
| S03 | C06 | C11 | C12 | 175.1° | 179.7° |
| S03 | C06 | C10 | C13 | 175.2° | 179.7° |
| C06 | S03 | C05 | C14 | 161.1° | 67.0° |
| C06 | S03 | C05 | H17 | 43.9° | 53.0° |
| S03 | C06 | C10 | H19 | 4.9° | 0.4° |
| S03 | C06 | C11 | H20 | 4.9° | 0.2° |
| O08 | C02 | C01 | H15 | 105.5° | 60.0° |
| O08 | C02 | C01 | H16 | 136.1° | 60.1° |
| CL09 | C07 | C12 | C13 | 179.9° | 180.0° |
| CL09 | C07 | C12 | C11 | 179.6° | 180.0° |
| CL09 | C07 | C13 | C10 | 179.9° | 180.0° |
| CL09 | C07 | C13 | H22 | 0.1° | 0.0° |
| CL09 | C07 | C12 | H21 | 0.4° | 0.0° |
| C10 | C06 | C11 | C12 | 7.1° | 0.0° |
| C06 | C10 | C13 | C07 | 3.4° | 0.0° |
| C06 | C10 | C13 | H19 | 180.0° | 179.9° |
| C10 | C06 | C11 | H20 | 172.8° | 180.0° |
| C06 | C10 | C13 | H22 | 176.6° | 180.0° |
| C06 | C11 | C12 | C07 | 4.0° | 0.0° |
| C06 | C11 | C12 | H20 | 180.0° | 180.0° |
| C11 | C06 | C10 | C13 | 6.8° | 0.0° |
| C11 | C06 | C10 | H19 | 173.1° | 179.9° |
| C06 | C11 | C12 | H21 | 176.0° | 180.0° |
| C07 | C12 | C11 | H21 | 180.0° | 180.0° |
| C12 | C07 | C13 | C10 | 0.1° | 0.0° |
| C07 | C12 | C11 | H20 | 175.9° | 180.0° |
| C12 | C07 | C13 | H22 | 179.9° | 180.0° |
| C11 | C12 | C07 | C13 | 0.3° | 0.0° |
| C07 | C13 | C10 | H22 | 180.0° | 180.0° |
| C07 | C13 | C10 | H19 | 176.6° | 179.9° |
| C13 | C07 | C12 | H21 | 179.7° | 180.0° |
| C14 | C05 | C01 | H15 | 175.6° | 65.0° |
| C14 | C05 | C01 | H16 | 57.2° | 55.0° |
| C05 | C14 | H25 | H24 | 120.0° | 120.0° |
| C05 | C14 | H25 | H23 | 120.0° | 120.0° |
| C05 | C14 | H24 | H23 | 120.0° | 119.9° |
| H15 | C01 | C05 | H17 | 65.4° | 175.0° |
| H16 | C01 | C05 | H17 | 176.2° | 65.0° |
| H17 | C05 | C14 | H25 | 61.4° | 66.0° |
| H17 | C05 | C14 | H24 | 178.6° | 54.1° |
| H17 | C05 | C14 | H23 | 58.6° | 174.1° |
| H19 | C10 | C13 | H22 | 3.4° | 0.1° |
| H20 | C11 | C12 | H21 | 4.0° | 0.0° |
| H25 | C14 | H24 | H23 | 120.0° | 120.0° |
