6D8
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| F15 | C13 | sing | 1.40Å | 1.35Å | |
| C13 | F14 | sing | 1.40Å | 1.35Å | |
| C13 | O12 | sing | 1.43Å | 1.45Å | |
| O12 | C11 | sing | 1.36Å | 1.44Å | |
| C10 | C11 | doub | 1.36Å | 1.40Å | Aromatic |
| C10 | C09 | sing | 1.41Å | 1.44Å | Aromatic |
| C11 | C16 | sing | 1.40Å | 1.42Å | Aromatic |
| C08 | C09 | doub | 1.41Å | 1.44Å | Aromatic |
| C08 | C07 | sing | 1.36Å | 1.39Å | Aromatic |
| C09 | C22 | sing | 1.42Å | 1.38Å | Aromatic |
| O17 | C16 | sing | 1.36Å | 1.42Å | |
| O17 | C18 | sing | 1.43Å | 1.41Å | |
| C16 | C21 | doub | 1.36Å | 1.40Å | Aromatic |
| C07 | C06 | doub | 1.39Å | 1.42Å | Aromatic |
| C22 | C21 | sing | 1.41Å | 1.43Å | Aromatic |
| C22 | C23 | doub | 1.40Å | 1.42Å | Aromatic |
| F19 | C18 | sing | 1.40Å | 1.34Å | |
| C18 | F20 | sing | 1.40Å | 1.35Å | |
| C03 | C02 | sing | 1.53Å | 1.55Å | |
| C06 | C23 | sing | 1.36Å | 1.40Å | Aromatic |
| C06 | C04 | sing | 1.51Å | 1.56Å | |
| C02 | C04 | sing | 1.53Å | 1.55Å | |
| C02 | C01 | sing | 1.53Å | 1.57Å | |
| C04 | C24 | sing | 1.51Å | 1.47Å | |
| C04 | O05 | sing | 1.43Å | 1.38Å | |
| N28 | C24 | sing | 1.34Å | 1.35Å | Aromatic |
| N28 | N27 | doub | 1.29Å | 1.37Å | Aromatic |
| C24 | C25 | doub | 1.35Å | 1.42Å | Aromatic |
| N27 | N26 | sing | 1.29Å | 1.37Å | Aromatic |
| C25 | N26 | sing | 1.35Å | 1.35Å | Aromatic |
| C10 | H101 | sing | 1.08Å | 1.08Å | |
| C13 | H131 | sing | 1.09Å | 1.10Å | |
| C21 | H211 | 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 | |
| C02 | H021 | sing | 1.09Å | 1.10Å | |
| C03 | H033 | sing | 1.09Å | 1.10Å | |
| C03 | H031 | sing | 1.09Å | 1.10Å | |
| C03 | H032 | sing | 1.09Å | 1.10Å | |
| O05 | H051 | sing | 0.97Å | 0.95Å | |
| C07 | H071 | sing | 1.08Å | 1.08Å | |
| C08 | H081 | sing | 1.08Å | 1.08Å | |
| C18 | H181 | sing | 1.09Å | 1.10Å | |
| C23 | H231 | sing | 1.08Å | 1.08Å | |
| C25 | H251 | sing | 1.08Å | 1.08Å | |
| N26 | H261 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| F15 | C13 | F14 | 109.0° | 109.4° |
| F15 | C13 | O12 | 110.6° | 109.5° |
| F15 | C13 | H131 | 109.7° | 109.5° |
| F14 | C13 | O12 | 109.2° | 109.4° |
| F14 | C13 | H131 | 109.9° | 109.5° |
| C13 | O12 | C11 | 115.7° | 117.1° |
| O12 | C13 | H131 | 108.4° | 109.5° |
| O12 | C11 | C10 | 120.2° | 119.5° |
| O12 | C11 | C16 | 119.4° | 119.6° |
| C11 | C10 | C09 | 119.7° | 119.7° |
| C10 | C11 | C16 | 120.4° | 120.8° |
| C11 | C10 | H101 | 120.2° | 120.2° |
| C10 | C09 | C08 | 119.9° | 121.1° |
| C10 | C09 | C22 | 120.0° | 119.5° |
| C09 | C10 | H101 | 120.2° | 120.2° |
| C11 | C16 | O17 | 117.3° | 119.6° |
| C11 | C16 | C21 | 119.3° | 120.8° |
| C09 | C08 | C07 | 119.6° | 119.7° |
| C08 | C09 | C22 | 120.1° | 119.4° |
| C09 | C08 | H081 | 120.2° | 120.2° |
| C08 | C07 | C06 | 120.1° | 121.0° |
| C08 | C07 | H071 | 120.0° | 119.5° |
| C07 | C08 | H081 | 120.2° | 120.2° |
| C09 | C22 | C21 | 120.4° | 119.5° |
| C09 | C22 | C23 | 120.4° | 119.4° |
| C16 | O17 | C18 | 122.4° | 117.0° |
| O17 | C16 | C21 | 123.3° | 119.6° |
| O17 | C18 | F19 | 109.6° | 109.5° |
| O17 | C18 | F20 | 115.5° | 109.4° |
| O17 | C18 | H181 | 107.6° | 109.5° |
| C16 | C21 | C22 | 120.2° | 119.7° |
| C16 | C21 | H211 | 119.9° | 120.1° |
| C07 | C06 | C23 | 120.1° | 121.0° |
| C07 | C06 | C04 | 119.6° | 119.5° |
| C06 | C07 | H071 | 119.9° | 119.6° |
| C21 | C22 | C23 | 119.2° | 121.2° |
| C22 | C21 | H211 | 119.9° | 120.1° |
| C22 | C23 | C06 | 119.6° | 119.7° |
| C22 | C23 | H231 | 120.2° | 120.2° |
| F19 | C18 | F20 | 106.6° | 109.5° |
| F19 | C18 | H181 | 108.8° | 109.5° |
| F20 | C18 | H181 | 108.6° | 109.4° |
| C03 | C02 | C04 | 110.0° | 109.5° |
| C03 | C02 | C01 | 110.8° | 109.5° |
| C03 | C02 | H021 | 108.6° | 109.5° |
| C02 | C03 | H033 | 109.5° | 109.4° |
| C02 | C03 | H031 | 109.5° | 109.5° |
| C02 | C03 | H032 | 109.4° | 109.5° |
| C23 | C06 | C04 | 120.2° | 119.5° |
| C06 | C23 | H231 | 120.2° | 120.2° |
| C06 | C04 | C02 | 113.0° | 109.5° |
| C06 | C04 | C24 | 104.1° | 109.5° |
| C06 | C04 | O05 | 110.7° | 109.5° |
| C04 | C02 | C01 | 110.5° | 109.5° |
| C02 | C04 | C24 | 111.0° | 109.5° |
| C02 | C04 | O05 | 108.8° | 109.4° |
| C04 | C02 | H021 | 108.5° | 109.4° |
| C02 | C01 | H013 | 109.5° | 109.4° |
| C02 | C01 | H011 | 109.5° | 109.5° |
| C02 | C01 | H012 | 109.5° | 109.5° |
| C01 | C02 | H021 | 108.3° | 109.5° |
| C24 | C04 | O05 | 109.1° | 109.5° |
| C04 | C24 | N28 | 128.3° | 126.7° |
| C04 | C24 | C25 | 124.5° | 126.7° |
| C04 | O05 | H051 | 109.5° | 114.0° |
| C24 | N28 | N27 | 108.4° | 108.9° |
| N28 | C24 | C25 | 107.2° | 106.5° |
| N28 | N27 | N26 | 108.4° | 110.2° |
| C24 | C25 | N26 | 107.6° | 106.2° |
| C24 | C25 | H251 | 126.2° | 126.9° |
| N27 | N26 | C25 | 108.4° | 108.3° |
| N27 | N26 | H261 | 125.8° | 125.9° |
| N26 | C25 | H251 | 126.2° | 126.9° |
| C25 | N26 | H261 | 125.8° | 125.9° |
| H013 | C01 | H011 | 109.5° | 109.4° |
| H013 | C01 | H012 | 109.4° | 109.5° |
| H011 | C01 | H012 | 109.4° | 109.5° |
| H033 | C03 | H031 | 109.5° | 109.5° |
| H033 | C03 | H032 | 109.5° | 109.4° |
| H031 | C03 | H032 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F15 | C13 | F14 | O12 | 120.9° | 119.9° |
| F15 | C13 | F14 | H131 | 120.3° | 120.1° |
| F15 | C13 | O12 | H131 | 120.4° | 120.1° |
| F15 | C13 | O12 | C11 | 72.4° | 59.9° |
| F14 | C13 | O12 | H131 | 119.7° | 120.0° |
| F14 | C13 | O12 | C11 | 47.5° | 60.0° |
| C13 | O12 | C11 | C10 | 78.1° | 0.0° |
| C13 | O12 | C11 | C16 | 103.6° | 180.0° |
| O12 | C11 | C10 | C16 | 178.3° | 180.0° |
| O12 | C11 | C10 | C09 | 179.2° | 180.0° |
| O12 | C11 | C16 | O17 | 2.3° | 0.0° |
| O12 | C11 | C16 | C21 | 179.9° | 179.9° |
| O12 | C11 | C10 | H101 | 0.8° | 0.3° |
| C11 | O12 | C13 | H131 | 167.2° | 180.0° |
| C11 | C10 | C09 | H101 | 180.0° | 179.8° |
| C11 | C10 | C09 | C08 | 179.6° | 180.0° |
| C11 | C10 | C09 | C22 | 0.3° | 0.0° |
| C10 | C11 | C16 | O17 | 179.3° | 180.0° |
| C10 | C11 | C16 | C21 | 1.6° | 0.0° |
| C09 | C10 | C11 | C16 | 0.9° | 0.0° |
| C10 | C09 | C08 | C22 | 179.8° | 180.0° |
| C10 | C09 | C08 | C07 | 179.7° | 180.0° |
| C10 | C09 | C22 | C21 | 0.4° | 0.0° |
| C10 | C09 | C22 | C23 | 180.0° | 179.9° |
| C10 | C09 | C08 | H081 | 0.3° | 0.0° |
| C11 | C16 | O17 | C21 | 177.6° | 180.0° |
| C11 | C16 | O17 | C18 | 144.8° | 180.0° |
| C11 | C16 | C21 | C22 | 1.7° | 0.0° |
| C16 | C11 | C10 | H101 | 179.1° | 179.8° |
| C11 | C16 | C21 | H211 | 178.3° | 180.0° |
| C09 | C08 | C07 | H081 | 180.0° | 180.0° |
| C09 | C08 | C07 | C06 | 1.1° | 0.2° |
| C08 | C09 | C22 | C21 | 179.5° | 180.0° |
| C08 | C09 | C22 | C23 | 0.1° | 0.1° |
| C08 | C09 | C10 | H101 | 0.4° | 0.2° |
| C09 | C08 | C07 | H071 | 178.9° | 180.0° |
| C07 | C08 | C09 | C22 | 0.4° | 0.0° |
| C08 | C07 | C06 | H071 | 180.0° | 179.8° |
| C08 | C07 | C06 | C23 | 1.5° | 0.2° |
| C08 | C07 | C06 | C04 | 179.0° | 179.9° |
| C09 | C22 | C21 | C16 | 1.1° | 0.0° |
| C09 | C22 | C21 | C23 | 179.6° | 179.9° |
| C09 | C22 | C23 | C06 | 0.5° | 0.1° |
| C22 | C09 | C10 | H101 | 179.7° | 179.8° |
| C09 | C22 | C21 | H211 | 178.9° | 180.0° |
| C22 | C09 | C08 | H081 | 179.6° | 180.0° |
| C09 | C22 | C23 | H231 | 179.5° | 180.0° |
| O17 | C16 | C21 | C22 | 179.3° | 180.0° |
| C16 | O17 | C18 | F19 | 119.9° | 60.0° |
| C16 | O17 | C18 | F20 | 0.5° | 60.1° |
| O17 | C16 | C21 | H211 | 0.7° | 0.0° |
| C16 | O17 | C18 | H181 | 122.0° | 180.0° |
| C18 | O17 | C16 | C21 | 37.5° | 0.0° |
| O17 | C18 | F19 | F20 | 125.6° | 120.0° |
| O17 | C18 | F19 | H181 | 117.4° | 120.0° |
| O17 | C18 | F20 | H181 | 121.0° | 120.0° |
| C16 | C21 | C22 | H211 | 180.0° | 179.9° |
| C16 | C21 | C22 | C23 | 179.3° | 179.9° |
| C07 | C06 | C23 | C22 | 1.2° | 0.1° |
| C07 | C06 | C23 | C04 | 177.5° | 179.9° |
| C07 | C06 | C04 | C02 | 57.6° | 55.9° |
| C07 | C06 | C04 | C24 | 62.9° | 64.1° |
| C07 | C06 | C04 | O05 | 179.9° | 175.9° |
| C06 | C07 | C08 | H081 | 178.9° | 179.9° |
| C07 | C06 | C23 | H231 | 178.9° | 179.9° |
| C21 | C22 | C23 | C06 | 179.1° | 180.0° |
| C21 | C22 | C23 | H231 | 0.9° | 0.1° |
| C22 | C23 | C06 | H231 | 180.0° | 180.0° |
| C22 | C23 | C06 | C04 | 178.7° | 179.9° |
| C23 | C22 | C21 | H211 | 0.7° | 0.1° |
| F19 | C18 | F20 | H181 | 117.1° | 120.0° |
| C03 | C02 | C04 | C06 | 57.6° | 54.3° |
| C03 | C02 | C04 | C01 | 122.7° | 120.0° |
| C03 | C02 | C04 | H021 | 118.7° | 120.0° |
| C03 | C02 | C01 | H021 | 119.0° | 120.0° |
| C03 | C02 | C04 | C24 | 174.2° | 174.4° |
| C03 | C02 | C04 | O05 | 65.8° | 65.6° |
| C03 | C02 | C01 | H013 | 180.0° | 65.1° |
| C03 | C02 | C01 | H011 | 60.0° | 54.8° |
| C03 | C02 | C01 | H012 | 60.0° | 174.9° |
| C02 | C03 | H033 | H031 | 120.0° | 120.0° |
| C02 | C03 | H033 | H032 | 120.0° | 120.0° |
| C02 | C03 | H031 | H032 | 120.0° | 120.0° |
| C23 | C06 | C04 | C02 | 124.9° | 123.9° |
| C23 | C06 | C04 | C24 | 114.6° | 116.0° |
| C23 | C06 | C04 | O05 | 2.6° | 4.0° |
| C23 | C06 | C07 | H071 | 178.5° | 180.0° |
| C06 | C04 | C02 | C24 | 116.6° | 120.0° |
| C06 | C04 | C02 | O05 | 123.3° | 120.0° |
| C06 | C04 | C02 | C01 | 179.7° | 174.4° |
| C06 | C04 | C24 | O05 | 118.2° | 120.0° |
| C06 | C04 | C24 | N28 | 110.7° | 115.4° |
| C06 | C04 | C24 | C25 | 67.6° | 65.0° |
| C06 | C04 | C02 | H021 | 61.1° | 65.7° |
| C06 | C04 | O05 | H051 | 180.0° | 60.0° |
| C04 | C06 | C07 | H071 | 1.0° | 0.1° |
| C04 | C06 | C23 | H231 | 1.4° | 0.0° |
| C04 | C02 | C01 | H021 | 118.7° | 119.9° |
| C02 | C04 | C24 | O05 | 119.9° | 120.0° |
| C02 | C04 | C24 | N28 | 11.2° | 4.7° |
| C02 | C04 | C24 | C25 | 170.4° | 175.0° |
| C04 | C02 | C01 | H013 | 57.8° | 55.0° |
| C04 | C02 | C01 | H011 | 62.3° | 174.9° |
| C04 | C02 | C01 | H012 | 177.8° | 65.0° |
| C04 | C02 | C03 | H033 | 180.0° | 60.0° |
| C04 | C02 | C03 | H031 | 60.0° | 180.0° |
| C04 | C02 | C03 | H032 | 60.0° | 60.0° |
| C02 | C04 | O05 | H051 | 55.3° | 179.9° |
| C01 | C02 | C04 | C24 | 63.2° | 65.6° |
| C01 | C02 | C04 | O05 | 56.9° | 54.4° |
| C02 | C01 | H013 | H011 | 120.0° | 120.0° |
| C02 | C01 | H013 | H012 | 120.0° | 120.1° |
| C02 | C01 | H011 | H012 | 120.0° | 120.1° |
| C01 | C02 | C03 | H033 | 57.5° | 180.0° |
| C01 | C02 | C03 | H031 | 62.5° | 60.0° |
| C01 | C02 | C03 | H032 | 177.5° | 60.1° |
| C04 | C24 | N28 | C25 | 178.6° | 179.7° |
| C04 | C24 | N28 | N27 | 179.4° | 179.8° |
| C04 | C24 | C25 | N26 | 179.6° | 180.0° |
| C24 | C04 | C02 | H021 | 55.5° | 54.4° |
| C24 | C04 | O05 | H051 | 66.0° | 60.0° |
| C04 | C24 | C25 | H251 | 0.4° | 0.0° |
| O05 | C04 | C24 | N28 | 131.1° | 124.7° |
| O05 | C04 | C24 | C25 | 50.6° | 55.0° |
| O05 | C04 | C02 | H021 | 175.5° | 174.4° |
| C24 | N28 | N27 | N26 | 0.4° | 0.5° |
| N28 | C24 | C25 | N26 | 0.9° | 0.3° |
| N28 | C24 | C25 | H251 | 179.1° | 179.7° |
| N27 | N28 | C24 | C25 | 0.8° | 0.5° |
| N28 | N27 | N26 | C25 | 0.2° | 0.3° |
| N28 | N27 | N26 | H261 | 179.8° | 179.7° |
| C24 | C25 | N26 | N27 | 0.7° | 0.0° |
| C24 | C25 | N26 | H251 | 180.0° | 180.0° |
| C24 | C25 | N26 | H261 | 179.3° | 180.0° |
| N27 | N26 | C25 | H261 | 180.0° | 180.0° |
| N27 | N26 | C25 | H251 | 179.4° | 180.0° |
| H013 | C01 | H011 | H012 | 120.0° | 120.0° |
| H013 | C01 | C02 | H021 | 61.0° | 174.9° |
| H011 | C01 | C02 | H021 | 179.0° | 65.2° |
| H012 | C01 | C02 | H021 | 59.0° | 54.9° |
| H021 | C02 | C03 | H033 | 61.3° | 60.0° |
| H021 | C02 | C03 | H031 | 178.7° | 60.0° |
| H021 | C02 | C03 | H032 | 58.7° | 179.9° |
| H033 | C03 | H031 | H032 | 120.0° | 120.0° |
| H071 | C07 | C08 | H081 | 1.1° | 0.0° |
| H251 | C25 | N26 | H261 | 0.7° | 0.0° |
