9MF
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| F25 | C22 | sing | 1.35Å | 1.36Å | |
| C21 | C22 | doub | 1.38Å | 1.38Å | Aromatic |
| C21 | C20 | sing | 1.38Å | 1.38Å | Aromatic |
| C22 | C23 | sing | 1.38Å | 1.38Å | Aromatic |
| C20 | C19 | doub | 1.38Å | 1.38Å | Aromatic |
| C23 | C24 | doub | 1.38Å | 1.38Å | Aromatic |
| C15 | C16 | sing | 1.47Å | 1.53Å | |
| C15 | N14 | sing | 1.46Å | 1.45Å | |
| C19 | C24 | sing | 1.38Å | 1.38Å | Aromatic |
| C19 | C18 | sing | 1.51Å | 1.53Å | |
| C16 | C17 | trip | 1.17Å | 1.19Å | |
| N14 | C04 | sing | 1.40Å | 1.45Å | |
| N14 | C18 | sing | 1.46Å | 1.45Å | |
| C03 | C04 | doub | 1.39Å | 1.38Å | Aromatic |
| C03 | C02 | sing | 1.38Å | 1.38Å | Aromatic |
| C04 | C05 | sing | 1.39Å | 1.38Å | Aromatic |
| C01 | C02 | sing | 1.51Å | 1.52Å | |
| C02 | C07 | doub | 1.39Å | 1.38Å | Aromatic |
| C05 | C06 | doub | 1.38Å | 1.39Å | Aromatic |
| C07 | C06 | sing | 1.39Å | 1.38Å | Aromatic |
| C07 | N08 | sing | 1.40Å | 1.45Å | |
| C06 | C13 | sing | 1.51Å | 1.53Å | |
| N08 | C09 | sing | 1.35Å | 1.45Å | |
| C09 | O11 | sing | 1.35Å | 1.40Å | |
| C09 | O10 | doub | 1.22Å | 1.18Å | |
| O11 | C12 | sing | 1.45Å | 1.40Å | |
| C13 | H132 | sing | 1.09Å | 1.10Å | |
| C13 | H133 | sing | 1.09Å | 1.10Å | |
| C13 | H131 | sing | 1.09Å | 1.10Å | |
| C15 | H151 | sing | 1.09Å | 1.10Å | |
| C15 | H152 | sing | 1.09Å | 1.10Å | |
| C17 | H171 | sing | 1.05Å | 1.06Å | |
| C20 | H201 | sing | 1.08Å | 1.08Å | |
| C21 | H211 | sing | 1.08Å | 1.08Å | |
| C24 | H241 | sing | 1.08Å | 1.08Å | |
| C01 | H013 | sing | 1.09Å | 1.10Å | |
| C01 | H011 | sing | 1.09Å | 1.10Å | |
| C01 | H012 | sing | 1.09Å | 1.10Å | |
| C03 | H031 | sing | 1.08Å | 1.08Å | |
| C05 | H051 | sing | 1.08Å | 1.08Å | |
| N08 | H081 | sing | 0.97Å | 1.00Å | |
| C12 | H121 | sing | 1.09Å | 1.10Å | |
| C12 | H122 | sing | 1.09Å | 1.10Å | |
| C12 | H123 | sing | 1.09Å | 1.10Å | |
| C18 | H181 | sing | 1.09Å | 1.10Å | |
| C18 | H182 | sing | 1.09Å | 1.10Å | |
| C23 | H231 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| F25 | C22 | C21 | 120.2° | 120.0° |
| F25 | C22 | C23 | 119.8° | 120.0° |
| C22 | C21 | C20 | 120.1° | 120.0° |
| C21 | C22 | C23 | 120.0° | 120.0° |
| C22 | C21 | H211 | 120.0° | 120.0° |
| C21 | C20 | C19 | 119.9° | 120.0° |
| C21 | C20 | H201 | 120.1° | 120.0° |
| C20 | C21 | H211 | 119.9° | 120.0° |
| C22 | C23 | C24 | 119.9° | 119.9° |
| C22 | C23 | H231 | 120.1° | 120.1° |
| C20 | C19 | C24 | 120.0° | 120.1° |
| C20 | C19 | C18 | 120.6° | 120.0° |
| C19 | C20 | H201 | 120.0° | 120.0° |
| C23 | C24 | C19 | 120.1° | 120.0° |
| C23 | C24 | H241 | 119.9° | 120.0° |
| C24 | C23 | H231 | 120.0° | 120.0° |
| C16 | C15 | N14 | 108.6° | 109.5° |
| C15 | C16 | C17 | 178.6° | 180.0° |
| C16 | C15 | H151 | 109.7° | 109.5° |
| C16 | C15 | H152 | 109.7° | 109.5° |
| C15 | N14 | C04 | 120.3° | 120.0° |
| C15 | N14 | C18 | 119.3° | 120.0° |
| N14 | C15 | H151 | 109.7° | 109.5° |
| N14 | C15 | H152 | 109.7° | 109.5° |
| C24 | C19 | C18 | 119.3° | 119.9° |
| C19 | C24 | H241 | 120.0° | 120.0° |
| C19 | C18 | N14 | 112.8° | 109.5° |
| C19 | C18 | H181 | 108.6° | 109.4° |
| C19 | C18 | H182 | 108.6° | 109.5° |
| C16 | C17 | H171 | 180.0° | 180.0° |
| C04 | N14 | C18 | 120.3° | 120.0° |
| N14 | C04 | C03 | 119.8° | 120.0° |
| N14 | C04 | C05 | 120.5° | 120.0° |
| N14 | C18 | H181 | 108.6° | 109.5° |
| N14 | C18 | H182 | 108.6° | 109.5° |
| C04 | C03 | C02 | 120.3° | 120.0° |
| C03 | C04 | C05 | 119.6° | 120.0° |
| C04 | C03 | H031 | 119.9° | 120.0° |
| C03 | C02 | C01 | 119.5° | 120.0° |
| C03 | C02 | C07 | 120.0° | 119.9° |
| C02 | C03 | H031 | 119.8° | 120.0° |
| C04 | C05 | C06 | 120.3° | 120.0° |
| C04 | C05 | H051 | 119.9° | 120.0° |
| C01 | C02 | C07 | 120.5° | 120.1° |
| C02 | C01 | H013 | 109.5° | 109.5° |
| C02 | C01 | H011 | 109.4° | 109.5° |
| C02 | C01 | H012 | 109.4° | 109.5° |
| C02 | C07 | C06 | 119.9° | 120.1° |
| C02 | C07 | N08 | 120.1° | 120.0° |
| C05 | C06 | C07 | 119.9° | 120.0° |
| C05 | C06 | C13 | 119.9° | 120.0° |
| C06 | C05 | H051 | 119.9° | 120.0° |
| C06 | C07 | N08 | 120.0° | 119.9° |
| C07 | C06 | C13 | 120.2° | 120.0° |
| C07 | N08 | C09 | 119.6° | 120.0° |
| C07 | N08 | H081 | 120.2° | 120.0° |
| C06 | C13 | H132 | 109.5° | 109.5° |
| C06 | C13 | H133 | 109.5° | 109.5° |
| C06 | C13 | H131 | 109.4° | 109.4° |
| N08 | C09 | O11 | 120.4° | 120.0° |
| N08 | C09 | O10 | 119.6° | 120.0° |
| C09 | N08 | H081 | 120.2° | 119.9° |
| O11 | C09 | O10 | 120.0° | 120.0° |
| C09 | O11 | C12 | 113.8° | 117.0° |
| O11 | C12 | H121 | 109.5° | 109.5° |
| O11 | C12 | H122 | 109.5° | 109.5° |
| O11 | C12 | H123 | 109.5° | 109.4° |
| H132 | C13 | H133 | 109.5° | 109.5° |
| H132 | C13 | H131 | 109.5° | 109.5° |
| H133 | C13 | H131 | 109.4° | 109.5° |
| H151 | C15 | H152 | 109.5° | 109.4° |
| H013 | C01 | H011 | 109.5° | 109.5° |
| H013 | C01 | H012 | 109.5° | 109.4° |
| H011 | C01 | H012 | 109.5° | 109.4° |
| H121 | C12 | H122 | 109.4° | 109.5° |
| H121 | C12 | H123 | 109.5° | 109.5° |
| H122 | C12 | H123 | 109.5° | 109.5° |
| H181 | C18 | H182 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F25 | C22 | C21 | C23 | 180.0° | 180.0° |
| F25 | C22 | C21 | C20 | 180.0° | 180.0° |
| F25 | C22 | C23 | C24 | 180.0° | 179.7° |
| F25 | C22 | C21 | H211 | 0.0° | 0.0° |
| F25 | C22 | C23 | H231 | 0.0° | 0.0° |
| C22 | C21 | C20 | H211 | 180.0° | 179.9° |
| C22 | C21 | C20 | C19 | 0.3° | 0.0° |
| C21 | C22 | C23 | C24 | 0.0° | 0.3° |
| C22 | C21 | C20 | H201 | 179.7° | 179.7° |
| C21 | C22 | C23 | H231 | 180.0° | 180.0° |
| C20 | C21 | C22 | C23 | 0.0° | 0.0° |
| C21 | C20 | C19 | H201 | 180.0° | 179.7° |
| C21 | C20 | C19 | C24 | 0.5° | 0.3° |
| C21 | C20 | C19 | C18 | 179.6° | 179.8° |
| C22 | C23 | C24 | H231 | 180.0° | 179.7° |
| C22 | C23 | C24 | C19 | 0.2° | 0.5° |
| C23 | C22 | C21 | H211 | 180.0° | 180.0° |
| C22 | C23 | C24 | H241 | 179.8° | 179.9° |
| C20 | C19 | C24 | C23 | 0.5° | 0.5° |
| C20 | C19 | C24 | C18 | 179.1° | 180.0° |
| C20 | C19 | C18 | N14 | 37.9° | 90.0° |
| C19 | C20 | C21 | H211 | 179.7° | 180.0° |
| C20 | C19 | C24 | H241 | 179.5° | 179.9° |
| C20 | C19 | C18 | H181 | 158.4° | 30.0° |
| C20 | C19 | C18 | H182 | 82.6° | 150.0° |
| C23 | C24 | C19 | H241 | 180.0° | 179.4° |
| C23 | C24 | C19 | C18 | 179.6° | 179.5° |
| C16 | C15 | N14 | H151 | 119.9° | 120.0° |
| C16 | C15 | N14 | H152 | 119.9° | 120.1° |
| C16 | C15 | N14 | C04 | 80.9° | 90.0° |
| C16 | C15 | N14 | C18 | 96.0° | 90.0° |
| C16 | C15 | H151 | H152 | 120.4° | 120.0° |
| C15 | C16 | C17 | H171 | 90.5° | 116.5° |
| C15 | N14 | C18 | C19 | 81.1° | 90.0° |
| N14 | C15 | C16 | C17 | 29.9° | 123.0° |
| C15 | N14 | C04 | C18 | 176.8° | 180.0° |
| C15 | N14 | C04 | C03 | 26.8° | 0.0° |
| C15 | N14 | C04 | C05 | 154.0° | 180.0° |
| N14 | C15 | H151 | H152 | 120.4° | 120.0° |
| C15 | N14 | C18 | H181 | 39.4° | 150.0° |
| C15 | N14 | C18 | H182 | 158.4° | 30.0° |
| C24 | C19 | C18 | N14 | 143.0° | 90.0° |
| C24 | C19 | C20 | H201 | 179.5° | 180.0° |
| C24 | C19 | C18 | H181 | 22.5° | 150.1° |
| C24 | C19 | C18 | H182 | 96.5° | 30.0° |
| C19 | C24 | C23 | H231 | 179.8° | 179.8° |
| C19 | C18 | N14 | C04 | 102.0° | 90.0° |
| C19 | C18 | N14 | H181 | 120.5° | 119.9° |
| C19 | C18 | N14 | H182 | 120.5° | 120.0° |
| C18 | C19 | C20 | H201 | 0.4° | 0.1° |
| C18 | C19 | C24 | H241 | 0.4° | 0.1° |
| C19 | C18 | H181 | H182 | 118.5° | 120.0° |
| C17 | C16 | C15 | H151 | 149.7° | 117.0° |
| C17 | C16 | C15 | H152 | 90.0° | 3.0° |
| N14 | C04 | C03 | C05 | 179.2° | 180.0° |
| N14 | C04 | C03 | C02 | 179.5° | 180.0° |
| N14 | C04 | C05 | C06 | 179.5° | 180.0° |
| C04 | N14 | C15 | H151 | 159.2° | 150.0° |
| C04 | N14 | C15 | H152 | 39.0° | 30.0° |
| N14 | C04 | C03 | H031 | 0.5° | 0.0° |
| N14 | C04 | C05 | H051 | 0.5° | 0.0° |
| C04 | N14 | C18 | H181 | 137.5° | 30.0° |
| C04 | N14 | C18 | H182 | 18.5° | 150.0° |
| C18 | N14 | C04 | C03 | 150.0° | 180.0° |
| C18 | N14 | C04 | C05 | 29.2° | 0.0° |
| C18 | N14 | C15 | H151 | 23.9° | 30.0° |
| C18 | N14 | C15 | H152 | 144.2° | 150.0° |
| N14 | C18 | H181 | H182 | 118.5° | 120.0° |
| C04 | C03 | C02 | H031 | 180.0° | 180.0° |
| C04 | C03 | C02 | C01 | 179.9° | 180.0° |
| C04 | C03 | C02 | C07 | 0.0° | 0.2° |
| C03 | C04 | C05 | C06 | 0.3° | 0.0° |
| C03 | C04 | C05 | H051 | 179.7° | 180.0° |
| C02 | C03 | C04 | C05 | 0.2° | 0.0° |
| C03 | C02 | C01 | C07 | 179.8° | 179.7° |
| C03 | C02 | C07 | C06 | 0.3° | 0.5° |
| C03 | C02 | C07 | N08 | 179.9° | 179.7° |
| C03 | C02 | C01 | H013 | 90.1° | 89.7° |
| C03 | C02 | C01 | H011 | 149.9° | 30.3° |
| C03 | C02 | C01 | H012 | 29.9° | 150.3° |
| C04 | C05 | C06 | H051 | 180.0° | 180.0° |
| C04 | C05 | C06 | C07 | 0.0° | 0.2° |
| C04 | C05 | C06 | C13 | 179.8° | 180.0° |
| C05 | C04 | C03 | H031 | 179.8° | 180.0° |
| C01 | C02 | C07 | C06 | 179.9° | 179.8° |
| C01 | C02 | C07 | N08 | 0.3° | 0.0° |
| C02 | C01 | H013 | H011 | 120.0° | 120.1° |
| C02 | C01 | H013 | H012 | 120.0° | 120.0° |
| C02 | C01 | H011 | H012 | 120.0° | 120.0° |
| C01 | C02 | C03 | H031 | 0.2° | 0.0° |
| C02 | C07 | C06 | C05 | 0.2° | 0.5° |
| C02 | C07 | C06 | N08 | 179.7° | 179.8° |
| C02 | C07 | C06 | C13 | 179.9° | 179.7° |
| C02 | C07 | N08 | C09 | 86.4° | 104.2° |
| C07 | C02 | C01 | H013 | 90.1° | 90.0° |
| C07 | C02 | C01 | H011 | 29.9° | 150.0° |
| C07 | C02 | C01 | H012 | 149.9° | 30.0° |
| C07 | C02 | C03 | H031 | 180.0° | 179.7° |
| C02 | C07 | N08 | H081 | 93.7° | 75.8° |
| C05 | C06 | C07 | C13 | 179.9° | 179.8° |
| C05 | C06 | C07 | N08 | 179.9° | 179.7° |
| C05 | C06 | C13 | H132 | 89.9° | 93.6° |
| C05 | C06 | C13 | H133 | 150.0° | 146.3° |
| C05 | C06 | C13 | H131 | 30.1° | 26.4° |
| C06 | C07 | N08 | C09 | 93.3° | 76.1° |
| C07 | C06 | C13 | H132 | 89.9° | 86.2° |
| C07 | C06 | C13 | H133 | 30.1° | 33.9° |
| C07 | C06 | C13 | H131 | 150.0° | 153.8° |
| C07 | C06 | C05 | H051 | 180.0° | 179.8° |
| C06 | C07 | N08 | H081 | 86.7° | 104.0° |
| N08 | C07 | C06 | C13 | 0.2° | 0.0° |
| C07 | N08 | C09 | H081 | 180.0° | 179.9° |
| C07 | N08 | C09 | O11 | 177.2° | 174.9° |
| C07 | N08 | C09 | O10 | 2.6° | 5.1° |
| C06 | C13 | H132 | H133 | 120.0° | 120.0° |
| C06 | C13 | H132 | H131 | 120.0° | 119.9° |
| C06 | C13 | H133 | H131 | 119.9° | 119.9° |
| C13 | C06 | C05 | H051 | 0.2° | 0.0° |
| N08 | C09 | O11 | O10 | 179.9° | 179.9° |
| N08 | C09 | O11 | C12 | 171.0° | 180.0° |
| O11 | C09 | N08 | H081 | 2.7° | 5.2° |
| C09 | O11 | C12 | H121 | 180.0° | 60.0° |
| C09 | O11 | C12 | H122 | 60.0° | 60.0° |
| C09 | O11 | C12 | H123 | 60.0° | 180.0° |
| O10 | C09 | O11 | C12 | 8.8° | 0.0° |
| O10 | C09 | N08 | H081 | 177.4° | 174.8° |
| O11 | C12 | H121 | H122 | 120.0° | 120.1° |
| O11 | C12 | H121 | H123 | 120.0° | 120.0° |
| O11 | C12 | H122 | H123 | 120.0° | 120.0° |
| H132 | C13 | H133 | H131 | 120.0° | 120.0° |
| H201 | C20 | C21 | H211 | 0.3° | 0.2° |
| H241 | C24 | C23 | H231 | 0.2° | 0.4° |
| H013 | C01 | H011 | H012 | 120.1° | 119.9° |
| H121 | C12 | H122 | H123 | 120.0° | 120.0° |
