SLO
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
F | C12 | sing | 1.35Å | 1.34Å | |
S | O3 | doub | 1.42Å | 1.46Å | |
S | O4 | doub | 1.42Å | 1.47Å | |
S | C16 | sing | 1.76Å | 1.74Å | |
S | C20 | sing | 1.81Å | 1.78Å | |
C1 | C3 | doub | 1.35Å | 1.35Å | |
C1 | C4 | sing | 1.47Å | 1.47Å | |
C1 | C6 | sing | 1.51Å | 1.48Å | |
O1 | C17 | sing | 1.34Å | 1.35Å | |
C2 | C3 | sing | 1.47Å | 1.46Å | |
C2 | C5 | sing | 1.48Å | 1.48Å | |
C2 | C7 | doub | 1.36Å | 1.34Å | |
O2 | C17 | doub | 1.21Å | 1.23Å | |
C3 | C10 | sing | 1.51Å | 1.49Å | |
C4 | C5 | doub | 1.41Å | 1.40Å | Aromatic |
C4 | C8 | sing | 1.40Å | 1.39Å | Aromatic |
C5 | C9 | sing | 1.39Å | 1.39Å | Aromatic |
C6 | C17 | sing | 1.51Å | 1.50Å | |
C7 | C11 | sing | 1.47Å | 1.47Å | |
C8 | C12 | doub | 1.38Å | 1.39Å | Aromatic |
C9 | C13 | doub | 1.38Å | 1.40Å | Aromatic |
C11 | C14 | doub | 1.40Å | 1.39Å | Aromatic |
C11 | C15 | sing | 1.40Å | 1.39Å | Aromatic |
C12 | C13 | sing | 1.39Å | 1.41Å | Aromatic |
C14 | C18 | sing | 1.38Å | 1.40Å | Aromatic |
C15 | C19 | doub | 1.38Å | 1.39Å | Aromatic |
C16 | C18 | doub | 1.39Å | 1.40Å | Aromatic |
C16 | C19 | sing | 1.38Å | 1.39Å | Aromatic |
O1 | HO1 | sing | 0.97Å | 0.95Å | |
C6 | H6 | sing | 1.09Å | 1.10Å | |
C6 | H6A | sing | 1.09Å | 1.10Å | |
C7 | H7 | sing | 1.08Å | 1.08Å | |
C8 | H8 | sing | 1.08Å | 1.08Å | |
C9 | H9 | sing | 1.08Å | 1.08Å | |
C10 | H10 | sing | 1.09Å | 1.10Å | |
C10 | H10A | sing | 1.09Å | 1.10Å | |
C10 | H10B | sing | 1.09Å | 1.10Å | |
C13 | H13 | sing | 1.08Å | 1.08Å | |
C14 | H14 | sing | 1.08Å | 1.08Å | |
C15 | H15 | sing | 1.08Å | 1.08Å | |
C18 | H18 | sing | 1.08Å | 1.08Å | |
C19 | H19 | sing | 1.08Å | 1.08Å | |
C20 | H20 | sing | 1.09Å | 1.10Å | |
C20 | H20A | sing | 1.09Å | 1.10Å | |
C20 | H20B | sing | 1.09Å | 1.10Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
F | C12 | C8 | 118.7° | 119.7° |
F | C12 | C13 | 121.1° | 119.7° |
O3 | S | O4 | 120.5° | 121.0° |
O3 | S | C16 | 106.8° | 104.2° |
O3 | S | C20 | 109.1° | 110.6° |
O4 | S | C16 | 108.9° | 104.3° |
O4 | S | C20 | 106.4° | 110.6° |
C16 | S | C20 | 104.0° | 104.4° |
S | C16 | C18 | 120.2° | 119.8° |
S | C16 | C19 | 119.1° | 119.9° |
S | C20 | H20 | 109.5° | 109.4° |
S | C20 | H20A | 109.4° | 109.4° |
S | C20 | H20B | 109.5° | 109.5° |
C3 | C1 | C4 | 108.3° | 109.9° |
C3 | C1 | C6 | 133.0° | 125.1° |
C1 | C3 | C2 | 109.1° | 108.8° |
C1 | C3 | C10 | 129.0° | 125.6° |
C4 | C1 | C6 | 118.7° | 125.1° |
C1 | C4 | C5 | 110.1° | 108.1° |
C1 | C4 | C8 | 127.8° | 132.6° |
C1 | C6 | C17 | 104.3° | 109.5° |
C1 | C6 | H6 | 111.2° | 109.5° |
C1 | C6 | H6A | 111.3° | 109.5° |
O1 | C17 | O2 | 126.0° | 120.0° |
O1 | C17 | C6 | 108.5° | 120.0° |
C17 | O1 | HO1 | 109.5° | 117.0° |
C3 | C2 | C5 | 107.5° | 106.6° |
C3 | C2 | C7 | 124.5° | 126.7° |
C2 | C3 | C10 | 121.9° | 125.6° |
C5 | C2 | C7 | 128.1° | 126.7° |
C2 | C5 | C4 | 105.0° | 106.6° |
C2 | C5 | C9 | 135.0° | 133.4° |
C2 | C7 | C11 | 128.7° | 120.0° |
C2 | C7 | H7 | 115.7° | 120.0° |
O2 | C17 | C6 | 125.4° | 120.0° |
C3 | C10 | H10 | 109.5° | 109.5° |
C3 | C10 | H10A | 109.5° | 109.5° |
C3 | C10 | H10B | 109.5° | 109.5° |
C5 | C4 | C8 | 122.0° | 119.2° |
C4 | C5 | C9 | 120.0° | 120.0° |
C4 | C8 | C12 | 118.2° | 119.9° |
C4 | C8 | H8 | 120.9° | 120.1° |
C5 | C9 | C13 | 118.5° | 119.8° |
C5 | C9 | H9 | 120.8° | 120.0° |
C17 | C6 | H6 | 111.3° | 109.4° |
C17 | C6 | H6A | 111.2° | 109.4° |
C7 | C11 | C14 | 120.6° | 120.2° |
C7 | C11 | C15 | 117.8° | 120.2° |
C11 | C7 | H7 | 115.7° | 120.0° |
C8 | C12 | C13 | 120.2° | 120.5° |
C12 | C8 | H8 | 120.9° | 120.0° |
C9 | C13 | C12 | 121.1° | 120.5° |
C13 | C9 | H9 | 120.8° | 120.1° |
C9 | C13 | H13 | 119.4° | 119.7° |
C14 | C11 | C15 | 121.6° | 119.6° |
C11 | C14 | C18 | 119.0° | 119.8° |
C11 | C14 | H14 | 120.5° | 120.1° |
C11 | C15 | C19 | 119.4° | 119.8° |
C11 | C15 | H15 | 120.3° | 120.1° |
C12 | C13 | H13 | 119.4° | 119.8° |
C14 | C18 | C16 | 119.8° | 120.2° |
C18 | C14 | H14 | 120.5° | 120.1° |
C14 | C18 | H18 | 120.1° | 119.9° |
C15 | C19 | C16 | 119.5° | 120.3° |
C19 | C15 | H15 | 120.3° | 120.1° |
C15 | C19 | H19 | 120.3° | 119.9° |
C18 | C16 | C19 | 120.7° | 120.3° |
C16 | C18 | H18 | 120.1° | 119.9° |
C16 | C19 | H19 | 120.2° | 119.8° |
H6 | C6 | H6A | 107.6° | 109.5° |
H10 | C10 | H10A | 109.5° | 109.4° |
H10 | C10 | H10B | 109.5° | 109.5° |
H10A | C10 | H10B | 109.5° | 109.4° |
H20 | C20 | H20A | 109.5° | 109.5° |
H20 | C20 | H20B | 109.5° | 109.5° |
H20A | C20 | H20B | 109.5° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
F | C12 | C8 | C4 | 179.8° | 180.0° |
F | C12 | C8 | C13 | 179.8° | 179.9° |
F | C12 | C13 | C9 | 179.6° | 180.0° |
F | C12 | C8 | H8 | 0.2° | 0.0° |
F | C12 | C13 | H13 | 0.4° | 0.1° |
O3 | S | O4 | C16 | 123.7° | 116.7° |
O3 | S | O4 | C20 | 124.7° | 131.6° |
O3 | S | C16 | C20 | 115.3° | 116.1° |
O3 | S | C16 | C18 | 117.8° | 153.9° |
O3 | S | C16 | C19 | 60.9° | 26.3° |
O3 | S | C20 | H20 | 180.0° | 68.4° |
O3 | S | C20 | H20A | 60.0° | 171.6° |
O3 | S | C20 | H20B | 60.0° | 51.6° |
O4 | S | C16 | C20 | 113.1° | 116.1° |
O4 | S | C16 | C18 | 110.7° | 26.1° |
O4 | S | C16 | C19 | 70.6° | 154.2° |
O4 | S | C20 | H20 | 48.6° | 68.4° |
O4 | S | C20 | H20A | 168.6° | 51.6° |
O4 | S | C20 | H20B | 71.4° | 171.6° |
S | C16 | C18 | C14 | 179.7° | 180.0° |
S | C16 | C19 | C15 | 179.8° | 180.0° |
S | C16 | C18 | C19 | 178.7° | 179.8° |
S | C16 | C18 | H18 | 0.3° | 0.1° |
S | C16 | C19 | H19 | 0.2° | 0.0° |
C16 | S | C20 | H20 | 66.3° | 180.0° |
C16 | S | C20 | H20A | 53.7° | 60.0° |
C16 | S | C20 | H20B | 173.7° | 60.0° |
C20 | S | C16 | C18 | 2.5° | 90.0° |
C20 | S | C16 | C19 | 176.2° | 89.8° |
S | C20 | H20 | H20A | 120.0° | 119.9° |
S | C20 | H20 | H20B | 120.0° | 120.0° |
S | C20 | H20A | H20B | 120.0° | 120.0° |
C3 | C1 | C4 | C6 | 178.7° | 179.7° |
C1 | C3 | C2 | C10 | 179.5° | 180.0° |
C1 | C3 | C2 | C5 | 0.7° | 0.0° |
C1 | C3 | C2 | C7 | 180.0° | 179.9° |
C3 | C1 | C4 | C5 | 1.0° | 0.1° |
C3 | C1 | C4 | C8 | 179.4° | 180.0° |
C3 | C1 | C6 | C17 | 100.7° | 95.0° |
C3 | C1 | C6 | H6 | 139.3° | 145.0° |
C3 | C1 | C6 | H6A | 19.3° | 25.0° |
C1 | C3 | C10 | H10 | 180.0° | 90.0° |
C1 | C3 | C10 | H10A | 60.0° | 150.0° |
C1 | C3 | C10 | H10B | 60.0° | 30.0° |
C4 | C1 | C3 | C2 | 1.0° | 0.0° |
C1 | C4 | C5 | C2 | 0.5° | 0.1° |
C4 | C1 | C3 | C10 | 179.6° | 180.0° |
C1 | C4 | C5 | C8 | 179.6° | 179.9° |
C1 | C4 | C5 | C9 | 179.6° | 180.0° |
C4 | C1 | C6 | C17 | 77.6° | 85.3° |
C1 | C4 | C8 | C12 | 179.4° | 179.9° |
C4 | C1 | C6 | H6 | 42.4° | 34.6° |
C4 | C1 | C6 | H6A | 162.4° | 154.7° |
C1 | C4 | C8 | H8 | 0.6° | 0.1° |
C1 | C6 | C17 | O1 | 153.5° | 180.0° |
C6 | C1 | C3 | C2 | 179.4° | 179.7° |
C1 | C6 | C17 | O2 | 26.2° | 0.0° |
C6 | C1 | C3 | C10 | 1.2° | 0.3° |
C6 | C1 | C4 | C5 | 179.7° | 179.7° |
C6 | C1 | C4 | C8 | 0.8° | 0.4° |
C1 | C6 | C17 | H6 | 120.0° | 120.0° |
C1 | C6 | C17 | H6A | 120.0° | 120.0° |
C1 | C6 | H6 | H6A | 122.1° | 120.1° |
O1 | C17 | O2 | C6 | 179.6° | 179.9° |
O1 | C17 | C6 | H6 | 33.5° | 60.0° |
O1 | C17 | C6 | H6A | 86.5° | 60.0° |
C3 | C2 | C5 | C7 | 179.2° | 179.9° |
C3 | C2 | C5 | C4 | 0.1° | 0.1° |
C3 | C2 | C5 | C9 | 179.7° | 180.0° |
C3 | C2 | C7 | C11 | 178.6° | 169.3° |
C3 | C2 | C7 | H7 | 1.4° | 10.7° |
C2 | C3 | C10 | H10 | 0.6° | 90.0° |
C2 | C3 | C10 | H10A | 120.7° | 30.0° |
C2 | C3 | C10 | H10B | 119.4° | 150.0° |
C5 | C2 | C3 | C10 | 179.8° | 179.9° |
C2 | C5 | C4 | C9 | 179.8° | 180.0° |
C2 | C5 | C4 | C8 | 179.9° | 180.0° |
C5 | C2 | C7 | C11 | 2.2° | 10.9° |
C2 | C5 | C9 | C13 | 179.6° | 179.9° |
C5 | C2 | C7 | H7 | 177.8° | 169.2° |
C2 | C5 | C9 | H9 | 0.3° | 0.0° |
C7 | C2 | C3 | C10 | 0.6° | 0.0° |
C7 | C2 | C5 | C4 | 179.3° | 180.0° |
C7 | C2 | C5 | C9 | 0.5° | 0.1° |
C2 | C7 | C11 | H7 | 180.0° | 179.9° |
C2 | C7 | C11 | C14 | 130.6° | 135.6° |
C2 | C7 | C11 | C15 | 50.9° | 44.7° |
O2 | C17 | O1 | HO1 | 0.0° | 0.1° |
O2 | C17 | C6 | H6 | 146.2° | 120.0° |
O2 | C17 | C6 | H6A | 93.9° | 120.1° |
C3 | C10 | H10 | H10A | 120.0° | 120.0° |
C3 | C10 | H10 | H10B | 120.0° | 120.0° |
C3 | C10 | H10A | H10B | 120.0° | 120.0° |
C5 | C4 | C8 | C12 | 0.1° | 0.0° |
C4 | C5 | C9 | C13 | 0.1° | 0.0° |
C5 | C4 | C8 | H8 | 179.9° | 180.0° |
C4 | C5 | C9 | H9 | 179.9° | 179.9° |
C8 | C4 | C5 | C9 | 0.1° | 0.1° |
C4 | C8 | C12 | H8 | 180.0° | 179.9° |
C4 | C8 | C12 | C13 | 0.4° | 0.0° |
C5 | C9 | C13 | H9 | 180.0° | 179.9° |
C5 | C9 | C13 | C12 | 0.4° | 0.1° |
C5 | C9 | C13 | H13 | 179.6° | 180.0° |
C6 | C17 | O1 | HO1 | 179.7° | 180.0° |
C17 | C6 | H6 | H6A | 122.1° | 119.9° |
C7 | C11 | C14 | C15 | 178.4° | 179.7° |
C7 | C11 | C14 | C18 | 179.7° | 180.0° |
C7 | C11 | C15 | C19 | 179.2° | 180.0° |
C7 | C11 | C14 | H14 | 0.4° | 0.0° |
C7 | C11 | C15 | H15 | 0.7° | 0.1° |
C8 | C12 | C13 | C9 | 0.6° | 0.1° |
C8 | C12 | C13 | H13 | 179.4° | 180.0° |
C9 | C13 | C12 | H13 | 180.0° | 179.9° |
C11 | C14 | C18 | H14 | 180.0° | 179.9° |
C14 | C11 | C15 | C19 | 0.8° | 0.3° |
C11 | C14 | C18 | C16 | 0.4° | 0.0° |
C14 | C11 | C7 | H7 | 49.4° | 44.5° |
C14 | C11 | C15 | H15 | 179.2° | 179.8° |
C11 | C14 | C18 | H18 | 179.6° | 180.0° |
C15 | C11 | C14 | C18 | 1.3° | 0.3° |
C11 | C15 | C19 | H15 | 180.0° | 179.9° |
C11 | C15 | C19 | C16 | 0.6° | 0.1° |
C15 | C11 | C7 | H7 | 129.1° | 135.2° |
C15 | C11 | C14 | H14 | 178.8° | 179.8° |
C11 | C15 | C19 | H19 | 179.4° | 180.0° |
C13 | C12 | C8 | H8 | 179.6° | 179.9° |
C12 | C13 | C9 | H9 | 179.6° | 180.0° |
C14 | C18 | C16 | H18 | 180.0° | 179.9° |
C14 | C18 | C16 | C19 | 1.0° | 0.2° |
C15 | C19 | C16 | C18 | 1.5° | 0.2° |
C15 | C19 | C16 | H19 | 180.0° | 180.0° |
C16 | C18 | C14 | H14 | 179.7° | 180.0° |
C18 | C16 | C19 | H19 | 178.5° | 179.8° |
C16 | C19 | C15 | H15 | 179.4° | 180.0° |
C19 | C16 | C18 | H18 | 179.0° | 179.7° |
H9 | C9 | C13 | H13 | 0.4° | 0.1° |
H10 | C10 | H10A | H10B | 120.0° | 120.0° |
H14 | C14 | C18 | H18 | 0.3° | 0.1° |
H15 | C15 | C19 | H19 | 0.6° | 0.0° |
H20 | C20 | H20A | H20B | 120.0° | 120.1° |