F8P
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
O26 | C25 | doub | 1.21Å | 1.26Å | |
N01 | C02 | sing | 1.38Å | 1.45Å | |
C25 | O27 | sing | 1.35Å | 1.29Å | |
C25 | C24 | sing | 1.47Å | 1.57Å | |
C02 | C24 | doub | 1.41Å | 1.45Å | Aromatic |
C02 | N03 | sing | 1.32Å | 1.41Å | Aromatic |
C24 | C23 | sing | 1.40Å | 1.40Å | Aromatic |
N03 | C04 | doub | 1.33Å | 1.41Å | Aromatic |
C23 | C22 | doub | 1.39Å | 1.46Å | Aromatic |
C04 | C22 | sing | 1.41Å | 1.41Å | Aromatic |
C04 | O05 | sing | 1.35Å | 1.44Å | |
C22 | C20 | sing | 1.48Å | 1.47Å | |
O05 | C06 | sing | 1.35Å | 1.41Å | |
C20 | O21 | doub | 1.22Å | 1.26Å | |
C20 | C19 | sing | 1.48Å | 1.51Å | |
C06 | C07 | doub | 1.39Å | 1.44Å | Aromatic |
C06 | C19 | sing | 1.40Å | 1.41Å | Aromatic |
C07 | C08 | sing | 1.38Å | 1.43Å | Aromatic |
C19 | C18 | doub | 1.39Å | 1.45Å | Aromatic |
C08 | C09 | doub | 1.39Å | 1.42Å | Aromatic |
C18 | C09 | sing | 1.38Å | 1.42Å | Aromatic |
C09 | C10 | sing | 1.51Å | 1.58Å | |
C10 | C11 | sing | 1.53Å | 1.56Å | |
C10 | C17 | sing | 1.53Å | 1.59Å | |
C11 | C12 | sing | 1.53Å | 1.55Å | |
C17 | C16 | sing | 1.53Å | 1.54Å | |
C12 | C13 | sing | 1.53Å | 1.53Å | |
C16 | C13 | sing | 1.53Å | 1.53Å | |
F14 | C13 | sing | 1.40Å | 1.42Å | |
C13 | F15 | sing | 1.40Å | 1.43Å | |
C07 | H1 | sing | 1.08Å | 1.08Å | |
C08 | H2 | sing | 1.08Å | 1.08Å | |
C10 | H3 | sing | 1.09Å | 1.10Å | |
C11 | H4 | sing | 1.09Å | 1.10Å | |
C11 | H5 | sing | 1.09Å | 1.10Å | |
C12 | H6 | sing | 1.09Å | 1.10Å | |
C12 | H7 | sing | 1.09Å | 1.10Å | |
C16 | H8 | sing | 1.09Å | 1.10Å | |
C16 | H9 | sing | 1.09Å | 1.10Å | |
C17 | H10 | sing | 1.09Å | 1.10Å | |
C17 | H11 | sing | 1.09Å | 1.10Å | |
C18 | H12 | sing | 1.08Å | 1.08Å | |
C23 | H13 | sing | 1.08Å | 1.08Å | |
N01 | H14 | sing | 0.97Å | 1.00Å | |
N01 | H15 | sing | 0.97Å | 1.00Å | |
O27 | H16 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O26 | C25 | O27 | 121.0° | 120.0° |
O26 | C25 | C24 | 120.4° | 120.0° |
N01 | C02 | C24 | 120.3° | 119.4° |
N01 | C02 | N03 | 119.1° | 119.4° |
C02 | N01 | H14 | 109.5° | 120.0° |
C02 | N01 | H15 | 109.4° | 120.0° |
O27 | C25 | C24 | 118.6° | 120.0° |
C25 | O27 | H16 | 109.5° | 117.0° |
C25 | C24 | C02 | 119.6° | 120.6° |
C25 | C24 | C23 | 122.3° | 120.6° |
C24 | C02 | N03 | 120.6° | 121.2° |
C02 | C24 | C23 | 118.1° | 118.8° |
C02 | N03 | C04 | 119.8° | 122.1° |
C24 | C23 | C22 | 122.1° | 117.9° |
C24 | C23 | H13 | 119.0° | 121.0° |
N03 | C04 | C22 | 122.5° | 119.7° |
N03 | C04 | O05 | 118.7° | 119.6° |
C23 | C22 | C04 | 116.9° | 120.3° |
C23 | C22 | C20 | 125.3° | 121.1° |
C22 | C23 | H13 | 118.9° | 121.0° |
C22 | C04 | O05 | 118.8° | 120.8° |
C04 | C22 | C20 | 117.8° | 118.6° |
C04 | O05 | C06 | 124.2° | 122.1° |
C22 | C20 | O21 | 119.7° | 122.1° |
C22 | C20 | C19 | 122.5° | 115.8° |
O05 | C06 | C07 | 122.3° | 120.0° |
O05 | C06 | C19 | 120.4° | 121.2° |
O21 | C20 | C19 | 117.7° | 122.1° |
C20 | C19 | C06 | 116.2° | 118.3° |
C20 | C19 | C18 | 123.7° | 121.1° |
C07 | C06 | C19 | 117.3° | 118.8° |
C06 | C07 | C08 | 121.9° | 120.2° |
C06 | C07 | H1 | 119.1° | 119.9° |
C06 | C19 | C18 | 120.1° | 120.6° |
C07 | C08 | C09 | 121.3° | 120.7° |
C08 | C07 | H1 | 119.1° | 119.9° |
C07 | C08 | H2 | 119.3° | 119.7° |
C19 | C18 | C09 | 123.1° | 119.5° |
C19 | C18 | H12 | 118.5° | 120.3° |
C08 | C09 | C18 | 116.4° | 120.1° |
C08 | C09 | C10 | 122.1° | 119.9° |
C09 | C08 | H2 | 119.3° | 119.6° |
C18 | C09 | C10 | 121.6° | 119.9° |
C09 | C18 | H12 | 118.5° | 120.2° |
C09 | C10 | C11 | 102.6° | 109.5° |
C09 | C10 | C17 | 121.0° | 109.4° |
C09 | C10 | H3 | 107.3° | 109.5° |
C11 | C10 | C17 | 110.5° | 109.5° |
C10 | C11 | C12 | 113.7° | 109.5° |
C11 | C10 | H3 | 107.6° | 109.5° |
C10 | C11 | H4 | 108.4° | 109.5° |
C10 | C11 | H5 | 108.4° | 109.5° |
C10 | C17 | C16 | 115.1° | 109.4° |
C17 | C10 | H3 | 107.2° | 109.5° |
C10 | C17 | H10 | 108.0° | 109.5° |
C10 | C17 | H11 | 108.0° | 109.5° |
C11 | C12 | C13 | 111.9° | 109.5° |
C12 | C11 | H4 | 108.4° | 109.5° |
C12 | C11 | H5 | 108.4° | 109.5° |
C11 | C12 | H6 | 108.9° | 109.5° |
C11 | C12 | H7 | 108.9° | 109.5° |
C17 | C16 | C13 | 110.4° | 109.4° |
C17 | C16 | H8 | 109.2° | 109.5° |
C17 | C16 | H9 | 109.3° | 109.5° |
C16 | C17 | H10 | 108.0° | 109.5° |
C16 | C17 | H11 | 108.0° | 109.5° |
C12 | C13 | C16 | 116.7° | 109.5° |
C12 | C13 | F14 | 111.5° | 109.5° |
C12 | C13 | F15 | 110.4° | 109.5° |
C13 | C12 | H6 | 108.9° | 109.5° |
C13 | C12 | H7 | 108.9° | 109.5° |
C16 | C13 | F14 | 111.4° | 109.4° |
C16 | C13 | F15 | 110.1° | 109.5° |
C13 | C16 | H8 | 109.3° | 109.5° |
C13 | C16 | H9 | 109.2° | 109.4° |
F14 | C13 | F15 | 94.7° | 109.5° |
H4 | C11 | H5 | 109.5° | 109.5° |
H6 | C12 | H7 | 109.5° | 109.5° |
H8 | C16 | H9 | 109.5° | 109.5° |
H10 | C17 | H11 | 109.4° | 109.5° |
H14 | N01 | H15 | 109.5° | 120.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O26 | C25 | O27 | C24 | 179.9° | 179.9° |
O26 | C25 | C24 | C02 | 7.6° | 5.9° |
O26 | C25 | C24 | C23 | 172.6° | 174.1° |
O26 | C25 | O27 | H16 | 0.0° | 0.0° |
N01 | C02 | C24 | C25 | 0.1° | 0.0° |
N01 | C02 | C24 | N03 | 180.0° | 179.7° |
N01 | C02 | C24 | C23 | 179.9° | 180.0° |
N01 | C02 | N03 | C04 | 180.0° | 179.8° |
C02 | N01 | H14 | H15 | 120.0° | 180.0° |
O27 | C25 | C24 | C02 | 172.5° | 174.1° |
O27 | C25 | C24 | C23 | 7.3° | 6.0° |
C25 | C24 | C02 | C23 | 179.8° | 179.9° |
C25 | C24 | C02 | N03 | 179.9° | 179.7° |
C25 | C24 | C23 | C22 | 179.8° | 179.9° |
C25 | C24 | C23 | H13 | 0.2° | 0.0° |
C24 | C25 | O27 | H16 | 179.9° | 179.9° |
C24 | C02 | N03 | C04 | 0.1° | 0.1° |
C02 | C24 | C23 | C22 | 0.0° | 0.1° |
C02 | C24 | C23 | H13 | 179.9° | 179.9° |
C24 | C02 | N01 | H14 | 180.0° | 5.6° |
C24 | C02 | N01 | H15 | 60.0° | 174.4° |
N03 | C02 | C24 | C23 | 0.1° | 0.3° |
C02 | N03 | C04 | C22 | 0.1° | 0.3° |
C02 | N03 | C04 | O05 | 179.8° | 179.4° |
N03 | C02 | N01 | H14 | 0.0° | 174.7° |
N03 | C02 | N01 | H15 | 120.0° | 5.3° |
C24 | C23 | C22 | H13 | 180.0° | 180.0° |
C24 | C23 | C22 | C04 | 0.2° | 0.3° |
C24 | C23 | C22 | C20 | 179.6° | 179.4° |
N03 | C04 | C22 | C23 | 0.2° | 0.5° |
N03 | C04 | C22 | O05 | 179.9° | 179.7° |
N03 | C04 | C22 | C20 | 179.6° | 179.2° |
N03 | C04 | O05 | C06 | 179.1° | 164.0° |
C23 | C22 | C04 | C20 | 179.4° | 179.7° |
C23 | C22 | C04 | O05 | 179.7° | 179.2° |
C23 | C22 | C20 | O21 | 0.7° | 12.9° |
C23 | C22 | C20 | C19 | 179.0° | 167.0° |
C22 | C04 | O05 | C06 | 0.8° | 16.3° |
C04 | C22 | C20 | O21 | 179.9° | 167.4° |
C04 | C22 | C20 | C19 | 0.4° | 12.7° |
C04 | C22 | C23 | H13 | 179.8° | 179.7° |
O05 | C04 | C22 | C20 | 0.3° | 1.1° |
C04 | O05 | C06 | C07 | 179.5° | 164.0° |
C04 | O05 | C06 | C19 | 0.6° | 16.4° |
C22 | C20 | O21 | C19 | 179.7° | 180.0° |
C22 | C20 | C19 | C06 | 0.6° | 12.6° |
C22 | C20 | C19 | C18 | 179.5° | 167.0° |
C20 | C22 | C23 | H13 | 0.4° | 0.6° |
O05 | C06 | C19 | C20 | 0.1° | 1.2° |
O05 | C06 | C07 | C19 | 179.9° | 179.6° |
O05 | C06 | C07 | C08 | 179.8° | 179.3° |
O05 | C06 | C19 | C18 | 179.9° | 179.1° |
O05 | C06 | C07 | H1 | 0.2° | 0.6° |
O21 | C20 | C19 | C06 | 179.7° | 167.4° |
O21 | C20 | C19 | C18 | 0.3° | 12.9° |
C20 | C19 | C06 | C07 | 179.8° | 179.1° |
C20 | C19 | C06 | C18 | 179.9° | 179.6° |
C20 | C19 | C18 | C09 | 179.9° | 179.2° |
C20 | C19 | C18 | H12 | 0.0° | 0.7° |
C06 | C07 | C08 | H1 | 180.0° | 179.9° |
C07 | C06 | C19 | C18 | 0.1° | 0.5° |
C06 | C07 | C08 | C09 | 0.3° | 0.1° |
C06 | C07 | C08 | H2 | 179.7° | 180.0° |
C19 | C06 | C07 | C08 | 0.3° | 0.3° |
C06 | C19 | C18 | C09 | 0.0° | 0.4° |
C19 | C06 | C07 | H1 | 179.7° | 179.7° |
C06 | C19 | C18 | H12 | 180.0° | 179.7° |
C07 | C08 | C09 | H2 | 180.0° | 179.9° |
C07 | C08 | C09 | C18 | 0.1° | 0.0° |
C07 | C08 | C09 | C10 | 179.5° | 179.8° |
C19 | C18 | C09 | C08 | 0.0° | 0.1° |
C19 | C18 | C09 | H12 | 180.0° | 179.9° |
C19 | C18 | C09 | C10 | 179.7° | 180.0° |
C08 | C09 | C18 | C10 | 179.7° | 179.9° |
C08 | C09 | C10 | C11 | 152.0° | 59.9° |
C08 | C09 | C10 | C17 | 28.5° | 60.1° |
C09 | C08 | C07 | H1 | 179.7° | 180.0° |
C08 | C09 | C10 | H3 | 94.8° | 180.0° |
C08 | C09 | C18 | H12 | 179.9° | 180.0° |
C18 | C09 | C10 | C11 | 28.3° | 119.9° |
C18 | C09 | C10 | C17 | 151.9° | 120.1° |
C18 | C09 | C08 | H2 | 179.9° | 179.9° |
C18 | C09 | C10 | H3 | 84.8° | 0.1° |
C09 | C10 | C11 | C17 | 130.3° | 120.0° |
C09 | C10 | C11 | H3 | 113.0° | 120.0° |
C09 | C10 | C17 | H3 | 123.3° | 120.0° |
C09 | C10 | C11 | C12 | 174.8° | 180.0° |
C09 | C10 | C17 | C16 | 160.5° | 180.0° |
C10 | C09 | C08 | H2 | 0.5° | 0.3° |
C09 | C10 | C11 | H4 | 64.6° | 60.0° |
C09 | C10 | C11 | H5 | 54.1° | 60.0° |
C09 | C10 | C17 | H10 | 78.7° | 60.0° |
C09 | C10 | C17 | H11 | 39.6° | 60.0° |
C10 | C09 | C18 | H12 | 0.3° | 0.1° |
C11 | C10 | C17 | H3 | 116.9° | 120.0° |
C10 | C11 | C12 | H4 | 120.6° | 120.0° |
C10 | C11 | C12 | H5 | 120.6° | 120.0° |
C11 | C10 | C17 | C16 | 40.7° | 60.0° |
C10 | C11 | C12 | C13 | 14.6° | 60.0° |
C10 | C11 | H4 | H5 | 118.1° | 120.0° |
C10 | C11 | C12 | H6 | 135.0° | 180.0° |
C10 | C11 | C12 | H7 | 105.8° | 60.0° |
C11 | C10 | C17 | H10 | 161.6° | 180.0° |
C11 | C10 | C17 | H11 | 80.1° | 60.0° |
C17 | C10 | C11 | C12 | 54.9° | 60.0° |
C10 | C17 | C16 | H10 | 120.8° | 120.0° |
C10 | C17 | C16 | H11 | 120.9° | 120.0° |
C10 | C17 | C16 | C13 | 11.6° | 60.0° |
C17 | C10 | C11 | H4 | 65.7° | 60.0° |
C17 | C10 | C11 | H5 | 175.6° | 180.0° |
C10 | C17 | C16 | H8 | 131.7° | 180.0° |
C10 | C17 | C16 | H9 | 108.6° | 60.0° |
C10 | C17 | H10 | H11 | 117.4° | 120.0° |
C11 | C12 | C13 | H6 | 120.4° | 120.0° |
C11 | C12 | C13 | H7 | 120.4° | 120.0° |
C11 | C12 | C13 | C16 | 42.6° | 60.0° |
C11 | C12 | C13 | F14 | 86.9° | 180.0° |
C11 | C12 | C13 | F15 | 169.3° | 60.0° |
C12 | C11 | C10 | H3 | 61.8° | 60.0° |
C12 | C11 | H4 | H5 | 118.1° | 120.0° |
C11 | C12 | H6 | H7 | 118.9° | 120.0° |
C17 | C16 | C13 | C12 | 56.3° | 60.0° |
C17 | C16 | C13 | H8 | 120.1° | 120.0° |
C17 | C16 | C13 | H9 | 120.2° | 120.0° |
C17 | C16 | C13 | F14 | 73.2° | 180.0° |
C17 | C16 | C13 | F15 | 176.9° | 60.0° |
C16 | C17 | C10 | H3 | 76.2° | 60.0° |
C17 | C16 | H8 | H9 | 119.6° | 120.0° |
C16 | C17 | H10 | H11 | 117.4° | 120.0° |
C12 | C13 | C16 | F14 | 129.5° | 120.0° |
C12 | C13 | C16 | F15 | 126.8° | 120.0° |
C12 | C13 | F14 | F15 | 114.0° | 120.0° |
C13 | C12 | C11 | H4 | 106.0° | 60.0° |
C13 | C12 | C11 | H5 | 135.2° | 180.0° |
C13 | C12 | H6 | H7 | 118.9° | 120.0° |
C12 | C13 | C16 | H8 | 176.4° | 180.0° |
C12 | C13 | C16 | H9 | 63.9° | 59.9° |
C16 | C13 | F14 | F15 | 113.7° | 120.0° |
C16 | C13 | C12 | H6 | 77.7° | 180.0° |
C16 | C13 | C12 | H7 | 163.0° | 60.0° |
C13 | C16 | H8 | H9 | 119.6° | 120.0° |
C13 | C16 | C17 | H10 | 109.3° | 180.0° |
C13 | C16 | C17 | H11 | 132.4° | 60.0° |
F14 | C13 | C12 | H6 | 152.8° | 60.0° |
F14 | C13 | C12 | H7 | 33.5° | 60.0° |
F14 | C13 | C16 | H8 | 46.9° | 60.0° |
F14 | C13 | C16 | H9 | 166.6° | 60.1° |
F15 | C13 | C12 | H6 | 48.9° | 60.0° |
F15 | C13 | C12 | H7 | 70.3° | 180.0° |
F15 | C13 | C16 | H8 | 56.8° | 60.0° |
F15 | C13 | C16 | H9 | 62.9° | 180.0° |
H1 | C07 | C08 | H2 | 0.3° | 0.1° |
H3 | C10 | C11 | H4 | 177.6° | 180.0° |
H3 | C10 | C11 | H5 | 58.9° | 60.0° |
H3 | C10 | C17 | H10 | 44.7° | 60.0° |
H3 | C10 | C17 | H11 | 163.0° | 180.0° |
H4 | C11 | C12 | H6 | 14.3° | 60.0° |
H4 | C11 | C12 | H7 | 133.6° | NaN° |
H5 | C11 | C12 | H6 | 104.4° | 60.0° |
H5 | C11 | C12 | H7 | 14.9° | 60.0° |
H8 | C16 | C17 | H10 | 10.9° | 60.0° |
H8 | C16 | C17 | H11 | 107.4° | 60.0° |
H9 | C16 | C17 | H10 | 130.6° | 60.0° |
H9 | C16 | C17 | H11 | 12.3° | 179.9° |