F5M
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C1 | O1 | sing | 1.36Å | 1.33Å | |
C1 | C2 | doub | 1.38Å | 1.28Å | Aromatic |
C1 | C13 | sing | 1.40Å | 1.50Å | Aromatic |
C2 | C3 | sing | 1.39Å | 1.30Å | Aromatic |
O2 | C3 | sing | 1.35Å | 1.38Å | |
O2 | C4 | sing | 1.35Å | 1.39Å | |
C3 | C11 | doub | 1.41Å | 1.49Å | Aromatic |
O3 | C6 | doub | 1.22Å | 1.43Å | |
C4 | C5 | doub | 1.38Å | 1.40Å | |
C4 | C9 | sing | 1.42Å | 1.43Å | |
O4 | C20 | doub | 1.21Å | 1.28Å | |
C5 | C6 | sing | 1.40Å | 1.47Å | |
O5 | C20 | sing | 1.35Å | 1.28Å | |
C6 | C7 | sing | 1.41Å | 1.48Å | |
C7 | C8 | doub | 1.36Å | 1.39Å | |
C8 | C9 | sing | 1.41Å | 1.40Å | |
C9 | C10 | doub | 1.41Å | 1.51Å | |
C10 | C11 | sing | 1.47Å | 1.47Å | |
C10 | C14 | sing | 1.47Å | 1.50Å | |
C11 | C12 | sing | 1.40Å | 1.29Å | Aromatic |
C12 | C13 | doub | 1.36Å | 1.27Å | Aromatic |
C14 | C15 | doub | 1.40Å | 1.38Å | Aromatic |
C14 | C19 | sing | 1.41Å | 1.50Å | Aromatic |
C15 | C16 | sing | 1.38Å | 1.39Å | Aromatic |
C16 | C17 | doub | 1.39Å | 1.39Å | Aromatic |
C17 | C18 | sing | 1.39Å | 1.42Å | Aromatic |
C17 | NAB | sing | 1.40Å | 1.39Å | |
C18 | C19 | doub | 1.39Å | 1.42Å | Aromatic |
C19 | C20 | sing | 1.48Å | 1.51Å | |
NAB | CAZ | sing | 1.34Å | 1.31Å | |
NAB | CBC | sing | 1.35Å | 1.32Å | |
CAZ | CBA | sing | 1.48Å | 1.52Å | |
CAZ | OBK | doub | 1.21Å | 1.26Å | |
CBA | CBB | doub | 1.34Å | 1.52Å | |
CBB | CBC | sing | 1.48Å | 1.52Å | |
CBC | OBJ | doub | 1.21Å | 1.22Å | |
O1 | HO1 | sing | 0.97Å | 0.95Å | |
C2 | H2 | sing | 1.08Å | 1.08Å | |
C5 | H5 | sing | 1.08Å | 1.08Å | |
O5 | HO5 | sing | 0.97Å | 0.95Å | |
C7 | H7 | sing | 1.08Å | 1.08Å | |
C8 | H8 | sing | 1.08Å | 1.08Å | |
C12 | H12 | sing | 1.08Å | 1.08Å | |
C13 | H13 | sing | 1.08Å | 1.08Å | |
C15 | H15 | sing | 1.08Å | 1.08Å | |
C16 | H16 | sing | 1.08Å | 1.08Å | |
C18 | H18 | sing | 1.08Å | 1.08Å | |
CBA | HBA | sing | 1.08Å | 1.08Å | |
CBB | HBB | sing | 1.08Å | 1.08Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O1 | C1 | C2 | 127.1° | 119.7° |
O1 | C1 | C13 | 124.9° | 119.7° |
C1 | O1 | HO1 | 109.5° | 113.9° |
C2 | C1 | C13 | 108.0° | 120.6° |
C1 | C2 | C3 | 148.9° | 119.9° |
C1 | C2 | H2 | 105.6° | 120.0° |
C1 | C13 | C12 | 102.1° | 120.4° |
C1 | C13 | H13 | 129.0° | 119.8° |
C2 | C3 | O2 | 134.0° | 120.3° |
C2 | C3 | C11 | 103.2° | 119.1° |
C3 | C2 | H2 | 105.6° | 120.0° |
C3 | O2 | C4 | 118.7° | 122.5° |
O2 | C3 | C11 | 122.8° | 120.5° |
O2 | C4 | C5 | 116.8° | 119.8° |
O2 | C4 | C9 | 123.0° | 121.0° |
C3 | C11 | C10 | 120.1° | 119.0° |
C3 | C11 | C12 | 106.8° | 120.2° |
O3 | C6 | C5 | 111.7° | 119.8° |
O3 | C6 | C7 | 112.7° | 119.8° |
C5 | C4 | C9 | 120.2° | 119.2° |
C4 | C5 | C6 | 122.9° | 120.0° |
C4 | C5 | H5 | 118.6° | 120.0° |
C4 | C9 | C8 | 119.5° | 120.3° |
C4 | C9 | C10 | 121.3° | 119.4° |
O4 | C20 | O5 | 124.6° | 120.0° |
O4 | C20 | C19 | 119.5° | 120.0° |
C5 | C6 | C7 | 113.6° | 120.3° |
C6 | C5 | H5 | 118.6° | 120.0° |
O5 | C20 | C19 | 115.9° | 120.0° |
C20 | O5 | HO5 | 109.5° | 117.1° |
C6 | C7 | C8 | 122.5° | 120.2° |
C6 | C7 | H7 | 118.8° | 120.0° |
C7 | C8 | C9 | 121.3° | 120.0° |
C8 | C7 | H7 | 118.8° | 119.9° |
C7 | C8 | H8 | 119.4° | 120.0° |
C8 | C9 | C10 | 119.2° | 120.3° |
C9 | C8 | H8 | 119.4° | 120.0° |
C9 | C10 | C11 | 114.1° | 117.6° |
C9 | C10 | C14 | 121.1° | 121.2° |
C11 | C10 | C14 | 124.7° | 121.2° |
C10 | C11 | C12 | 133.0° | 120.9° |
C10 | C14 | C15 | 116.0° | 120.2° |
C10 | C14 | C19 | 127.6° | 120.1° |
C11 | C12 | C13 | 151.0° | 119.8° |
C11 | C12 | H12 | 104.5° | 120.1° |
C13 | C12 | H12 | 104.5° | 120.1° |
C12 | C13 | H13 | 129.0° | 119.8° |
C15 | C14 | C19 | 116.3° | 119.7° |
C14 | C15 | C16 | 122.2° | 120.1° |
C14 | C15 | H15 | 118.9° | 119.9° |
C14 | C19 | C18 | 119.5° | 119.6° |
C14 | C19 | C20 | 119.2° | 120.2° |
C15 | C16 | C17 | 123.5° | 120.4° |
C16 | C15 | H15 | 118.9° | 120.0° |
C15 | C16 | H16 | 118.2° | 119.8° |
C16 | C17 | C18 | 117.1° | 120.3° |
C16 | C17 | NAB | 116.1° | 119.8° |
C17 | C16 | H16 | 118.2° | 119.8° |
C18 | C17 | NAB | 126.8° | 119.9° |
C17 | C18 | C19 | 121.3° | 119.9° |
C17 | C18 | H18 | 119.3° | 120.0° |
C17 | NAB | CAZ | 128.9° | 125.2° |
C17 | NAB | CBC | 123.4° | 125.2° |
C18 | C19 | C20 | 121.2° | 120.2° |
C19 | C18 | H18 | 119.4° | 120.0° |
CAZ | NAB | CBC | 107.4° | 109.6° |
NAB | CAZ | CBA | 113.1° | 108.4° |
NAB | CAZ | OBK | 122.9° | 125.8° |
NAB | CBC | CBB | 115.1° | 108.4° |
NAB | CBC | OBJ | 122.4° | 125.8° |
CBA | CAZ | OBK | 122.9° | 125.8° |
CAZ | CBA | CBB | 102.2° | 106.8° |
CAZ | CBA | HBA | 128.9° | 126.6° |
CBA | CBB | CBC | 99.6° | 106.8° |
CBB | CBA | HBA | 128.9° | 126.6° |
CBA | CBB | HBB | 130.2° | 126.6° |
CBB | CBC | OBJ | 122.4° | 125.9° |
CBC | CBB | HBB | 130.2° | 126.6° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O1 | C1 | C2 | C13 | 179.3° | 179.6° |
O1 | C1 | C2 | C3 | 179.7° | 180.0° |
O1 | C1 | C13 | C12 | 177.9° | 179.7° |
O1 | C1 | C2 | H2 | 0.3° | 0.1° |
O1 | C1 | C13 | H13 | 2.1° | 0.1° |
C1 | C2 | C3 | H2 | 180.0° | 179.9° |
C1 | C2 | C3 | O2 | 177.8° | 180.0° |
C1 | C2 | C3 | C11 | 1.6° | 0.1° |
C2 | C1 | C13 | C12 | 1.5° | 0.6° |
C2 | C1 | O1 | HO1 | 180.0° | 90.0° |
C2 | C1 | C13 | H13 | 178.5° | 179.7° |
C13 | C1 | C2 | C3 | 0.4° | 0.3° |
C1 | C13 | C12 | C11 | 3.4° | 0.6° |
C1 | C13 | C12 | H13 | 180.0° | 179.7° |
C13 | C1 | O1 | HO1 | 0.8° | 90.3° |
C13 | C1 | C2 | H2 | 179.6° | 179.7° |
C1 | C13 | C12 | H12 | 176.6° | 179.7° |
C2 | C3 | O2 | C11 | 179.3° | 179.9° |
C2 | C3 | O2 | C4 | 179.0° | 180.0° |
C2 | C3 | C11 | C10 | 177.5° | 180.0° |
C2 | C3 | C11 | C12 | 0.5° | 0.1° |
C3 | O2 | C4 | C5 | 180.0° | 180.0° |
C3 | O2 | C4 | C9 | 0.2° | 0.0° |
O2 | C3 | C11 | C10 | 1.9° | 0.1° |
O2 | C3 | C11 | C12 | 178.9° | 180.0° |
O2 | C3 | C2 | H2 | 2.1° | 0.1° |
C4 | O2 | C3 | C11 | 0.3° | 0.1° |
O2 | C4 | C5 | C9 | 179.9° | 180.0° |
O2 | C4 | C5 | C6 | 177.9° | 180.0° |
O2 | C4 | C9 | C8 | 180.0° | 180.0° |
O2 | C4 | C9 | C10 | 1.1° | 0.1° |
O2 | C4 | C5 | H5 | 2.1° | 0.0° |
C3 | C11 | C10 | C9 | 2.9° | 0.0° |
C3 | C11 | C10 | C12 | 176.1° | 179.9° |
C3 | C11 | C10 | C14 | 177.9° | 179.9° |
C3 | C11 | C12 | C13 | 2.3° | 0.3° |
C11 | C3 | C2 | H2 | 178.5° | 180.0° |
C3 | C11 | C12 | H12 | 177.7° | 180.0° |
O3 | C6 | C5 | C4 | 132.4° | 180.0° |
O3 | C6 | C5 | C7 | 128.9° | 180.0° |
O3 | C6 | C7 | C8 | 131.7° | 180.0° |
O3 | C6 | C5 | H5 | 47.6° | 0.0° |
O3 | C6 | C7 | H7 | 48.3° | 0.0° |
C4 | C5 | C6 | H5 | 180.0° | 180.0° |
C4 | C5 | C6 | C7 | 3.6° | 0.0° |
C5 | C4 | C9 | C8 | 0.2° | 0.0° |
C5 | C4 | C9 | C10 | 178.8° | 179.9° |
C9 | C4 | C5 | C6 | 2.0° | 0.0° |
C4 | C9 | C8 | C7 | 0.3° | 0.0° |
C4 | C9 | C8 | C10 | 179.0° | 179.9° |
C4 | C9 | C10 | C11 | 2.5° | 0.1° |
C4 | C9 | C10 | C14 | 177.7° | 180.0° |
C9 | C4 | C5 | H5 | 178.1° | 180.0° |
C4 | C9 | C8 | H8 | 179.7° | 180.0° |
O4 | C20 | O5 | C19 | 179.3° | 179.9° |
O4 | C20 | C19 | C14 | 103.1° | 0.1° |
O4 | C20 | C19 | C18 | 79.3° | 179.7° |
O4 | C20 | O5 | HO5 | 0.0° | 0.0° |
C5 | C6 | C7 | C8 | 3.4° | 0.0° |
C5 | C6 | C7 | H7 | 176.7° | 180.0° |
O5 | C20 | C19 | C14 | 77.5° | 180.0° |
O5 | C20 | C19 | C18 | 100.0° | 0.2° |
C6 | C7 | C8 | H7 | 180.0° | 180.0° |
C6 | C7 | C8 | C9 | 1.6° | 0.0° |
C7 | C6 | C5 | H5 | 176.5° | 180.0° |
C6 | C7 | C8 | H8 | 178.4° | 180.0° |
C7 | C8 | C9 | H8 | 180.0° | 180.0° |
C7 | C8 | C9 | C10 | 178.7° | 179.9° |
C8 | C9 | C10 | C11 | 178.5° | 180.0° |
C8 | C9 | C10 | C14 | 3.3° | 0.1° |
C9 | C8 | C7 | H7 | 178.4° | 180.0° |
C9 | C10 | C11 | C14 | 175.0° | 179.9° |
C9 | C10 | C11 | C12 | 179.0° | 179.9° |
C9 | C10 | C14 | C15 | 109.8° | 105.0° |
C9 | C10 | C14 | C19 | 66.4° | 75.2° |
C10 | C9 | C8 | H8 | 1.3° | 0.1° |
C10 | C11 | C12 | C13 | 174.2° | 179.7° |
C11 | C10 | C14 | C15 | 64.9° | 75.1° |
C11 | C10 | C14 | C19 | 118.9° | 104.7° |
C10 | C11 | C12 | H12 | 5.8° | 0.1° |
C14 | C10 | C11 | C12 | 6.0° | 0.0° |
C10 | C14 | C15 | C19 | 176.6° | 179.8° |
C10 | C14 | C15 | C16 | 177.4° | 180.0° |
C10 | C14 | C19 | C18 | 178.0° | 179.7° |
C10 | C14 | C19 | C20 | 4.3° | 0.1° |
C10 | C14 | C15 | H15 | 2.6° | 0.0° |
C11 | C12 | C13 | H12 | 180.0° | 179.7° |
C11 | C12 | C13 | H13 | 176.6° | 179.7° |
C14 | C15 | C16 | H15 | 180.0° | 180.0° |
C14 | C15 | C16 | C17 | 0.3° | 0.0° |
C15 | C14 | C19 | C18 | 1.9° | 0.5° |
C15 | C14 | C19 | C20 | 179.5° | 179.7° |
C14 | C15 | C16 | H16 | 179.8° | 180.0° |
C19 | C14 | C15 | C16 | 0.8° | 0.3° |
C14 | C19 | C18 | C17 | 1.9° | 0.5° |
C14 | C19 | C18 | C20 | 177.6° | 179.8° |
C19 | C14 | C15 | H15 | 179.2° | 179.7° |
C14 | C19 | C18 | H18 | 178.1° | 179.8° |
C15 | C16 | C17 | H16 | 180.0° | 180.0° |
C15 | C16 | C17 | C18 | 0.3° | 0.1° |
C15 | C16 | C17 | NAB | 179.0° | 180.0° |
C16 | C17 | C18 | NAB | 179.2° | 179.9° |
C16 | C17 | C18 | C19 | 0.8° | 0.3° |
C16 | C17 | NAB | CAZ | 173.1° | 0.0° |
C16 | C17 | NAB | CBC | 0.4° | 179.7° |
C17 | C16 | C15 | H15 | 179.7° | 180.0° |
C16 | C17 | C18 | H18 | 179.2° | 180.0° |
C17 | C18 | C19 | H18 | 180.0° | 179.7° |
C17 | C18 | C19 | C20 | 179.5° | 179.6° |
C18 | C17 | NAB | CAZ | 7.6° | 179.9° |
C18 | C17 | NAB | CBC | 179.7° | 0.3° |
C18 | C17 | C16 | H16 | 179.7° | 179.9° |
NAB | C17 | C18 | C19 | 179.9° | 179.8° |
C17 | NAB | CAZ | CBC | 173.6° | 179.8° |
C17 | NAB | CAZ | CBA | 173.2° | 180.0° |
C17 | NAB | CAZ | OBK | 18.5° | 0.0° |
C17 | NAB | CBC | CBB | 177.8° | 179.9° |
C17 | NAB | CBC | OBJ | 5.9° | 0.0° |
NAB | C17 | C16 | H16 | 0.9° | 0.0° |
NAB | C17 | C18 | H18 | 0.1° | 0.1° |
C19 | C20 | O5 | HO5 | 179.3° | 179.9° |
C20 | C19 | C18 | H18 | 0.5° | 0.1° |
NAB | CAZ | CBA | OBK | 168.4° | 180.0° |
NAB | CAZ | CBA | CBB | 17.0° | 0.0° |
CAZ | NAB | CBC | CBB | 3.8° | 0.4° |
CAZ | NAB | CBC | OBJ | 179.9° | 179.7° |
NAB | CAZ | CBA | HBA | 163.0° | 180.0° |
CBC | NAB | CAZ | CBA | 13.2° | 0.2° |
CBC | NAB | CAZ | OBK | 155.2° | 179.7° |
NAB | CBC | CBB | CBA | 6.6° | 0.4° |
NAB | CBC | CBB | OBJ | 176.3° | 179.9° |
NAB | CBC | CBB | HBB | 173.4° | 179.8° |
CAZ | CBA | CBB | HBA | 180.0° | 180.0° |
CAZ | CBA | CBB | CBC | 12.4° | 0.2° |
CAZ | CBA | CBB | HBB | 167.6° | 180.0° |
OBK | CAZ | CBA | CBB | 151.4° | 180.0° |
OBK | CAZ | CBA | HBA | 28.6° | 0.1° |
CBA | CBB | CBC | HBB | 180.0° | 179.8° |
CBA | CBB | CBC | OBJ | 169.8° | 179.7° |
CBC | CBB | CBA | HBA | 167.6° | 179.8° |
OBJ | CBC | CBB | HBB | 10.2° | 0.1° |
H7 | C7 | C8 | H8 | 1.6° | 0.0° |
H12 | C12 | C13 | H13 | 3.4° | 0.1° |
H15 | C15 | C16 | H16 | 0.3° | 0.0° |
HBA | CBA | CBB | HBB | 12.4° | 0.0° |