5WJ
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C19 | C20 | doub | 1.39Å | 1.40Å | Aromatic |
C19 | C18 | sing | 1.38Å | 1.39Å | Aromatic |
C20 | C21 | sing | 1.38Å | 1.40Å | Aromatic |
C18 | C17 | doub | 1.39Å | 1.40Å | Aromatic |
C8 | C9 | sing | 1.51Å | 1.53Å | |
C8 | C7 | sing | 1.54Å | 1.54Å | |
C9 | C10 | sing | 1.53Å | 1.53Å | |
C21 | C22 | doub | 1.40Å | 1.40Å | Aromatic |
C17 | C22 | sing | 1.41Å | 1.41Å | Aromatic |
C17 | C16 | sing | 1.47Å | 1.48Å | |
C7 | N1 | sing | 1.48Å | 1.48Å | |
O4 | C16 | doub | 1.22Å | 1.22Å | |
C22 | C15 | sing | 1.46Å | 1.47Å | |
C16 | N3 | sing | 1.35Å | 1.41Å | |
C10 | C11 | sing | 1.47Å | 1.53Å | |
O | C | doub | 1.21Å | 1.23Å | |
C3 | O1 | sing | 1.43Å | 1.43Å | |
N1 | C12 | sing | 1.45Å | 1.48Å | |
N1 | S | sing | 1.66Å | 1.65Å | |
C4 | C5 | doub | 1.38Å | 1.39Å | Aromatic |
C4 | C2 | sing | 1.39Å | 1.40Å | Aromatic |
O1 | C2 | sing | 1.36Å | 1.36Å | |
C5 | C6 | sing | 1.38Å | 1.40Å | Aromatic |
C2 | C1 | doub | 1.39Å | 1.42Å | Aromatic |
C15 | C14 | sing | 1.51Å | 1.49Å | |
C15 | N2 | doub | 1.30Å | 1.32Å | |
C11 | C12 | sing | 1.55Å | 1.53Å | |
N3 | N2 | sing | 1.40Å | 1.34Å | |
O2 | S | doub | 1.42Å | 1.42Å | |
C6 | C13 | doub | 1.38Å | 1.42Å | Aromatic |
C6 | S | sing | 1.76Å | 1.69Å | |
C | N | sing | 1.35Å | 1.38Å | |
C | C14 | sing | 1.51Å | 1.52Å | |
C1 | C13 | sing | 1.39Å | 1.42Å | Aromatic |
C1 | N | sing | 1.40Å | 1.41Å | |
S | O3 | doub | 1.42Å | 1.44Å | |
C10 | H1 | sing | 1.09Å | 1.10Å | |
C10 | H2 | sing | 1.09Å | 1.10Å | |
C7 | H3 | sing | 1.09Å | 1.10Å | |
C7 | H4 | sing | 1.09Å | 1.10Å | |
C3 | H5 | sing | 1.09Å | 1.10Å | |
C3 | H6 | sing | 1.09Å | 1.10Å | |
C3 | H7 | sing | 1.09Å | 1.10Å | |
C4 | H8 | sing | 1.08Å | 1.08Å | |
C5 | H9 | sing | 1.08Å | 1.08Å | |
N3 | H10 | sing | 0.97Å | 1.00Å | |
C21 | H11 | sing | 1.08Å | 1.08Å | |
C20 | H12 | sing | 1.08Å | 1.08Å | |
C19 | H13 | sing | 1.08Å | 1.08Å | |
C18 | H14 | sing | 1.08Å | 1.08Å | |
C14 | H15 | sing | 1.09Å | 1.10Å | |
C14 | H16 | sing | 1.09Å | 1.10Å | |
N | H17 | sing | 0.97Å | 1.00Å | |
C13 | H18 | sing | 1.08Å | 1.08Å | |
C12 | H19 | sing | 1.09Å | 1.10Å | |
C12 | H20 | sing | 1.09Å | 1.10Å | |
C11 | H21 | sing | 1.09Å | 1.10Å | |
C11 | H22 | sing | 1.09Å | 1.10Å | |
C9 | H23 | sing | 1.09Å | 1.10Å | |
C9 | H24 | sing | 1.09Å | 1.10Å | |
C8 | H25 | sing | 1.09Å | 1.10Å | |
C8 | H26 | sing | 1.09Å | 1.10Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C20 | C19 | C18 | 120.8° | 120.7° |
C19 | C20 | C21 | 120.3° | 120.8° |
C19 | C20 | H12 | 119.9° | 119.6° |
C20 | C19 | H13 | 119.6° | 119.6° |
C19 | C18 | C17 | 118.9° | 119.5° |
C18 | C19 | H13 | 119.6° | 119.7° |
C19 | C18 | H14 | 120.5° | 120.3° |
C20 | C21 | C22 | 119.7° | 119.5° |
C20 | C21 | H11 | 120.2° | 120.3° |
C21 | C20 | H12 | 119.8° | 119.6° |
C18 | C17 | C22 | 120.8° | 119.8° |
C18 | C17 | C16 | 119.8° | 122.0° |
C17 | C18 | H14 | 120.5° | 120.2° |
C9 | C8 | C7 | 112.1° | 110.1° |
C8 | C9 | C10 | 113.5° | 109.3° |
C8 | C9 | H23 | 108.5° | 109.5° |
C8 | C9 | H24 | 108.4° | 109.6° |
C9 | C8 | H25 | 108.8° | 109.4° |
C9 | C8 | H26 | 108.8° | 109.3° |
C8 | C7 | N1 | 115.4° | 112.1° |
C8 | C7 | H3 | 108.0° | 108.9° |
C8 | C7 | H4 | 108.0° | 108.9° |
C7 | C8 | H25 | 108.8° | 109.4° |
C7 | C8 | H26 | 108.8° | 109.4° |
C9 | C10 | C11 | 111.7° | 114.3° |
C9 | C10 | H1 | 108.9° | 108.5° |
C9 | C10 | H2 | 108.9° | 108.4° |
C10 | C9 | H23 | 108.4° | 109.5° |
C10 | C9 | H24 | 108.5° | 109.5° |
C21 | C22 | C17 | 119.5° | 119.6° |
C21 | C22 | C15 | 123.4° | 121.8° |
C22 | C21 | H11 | 120.2° | 120.2° |
C22 | C17 | C16 | 119.4° | 118.2° |
C17 | C22 | C15 | 117.1° | 118.6° |
C17 | C16 | O4 | 127.2° | 120.6° |
C17 | C16 | N3 | 115.2° | 118.7° |
C7 | N1 | C12 | 119.5° | 122.7° |
C7 | N1 | S | 121.2° | 118.7° |
N1 | C7 | H3 | 108.0° | 108.9° |
N1 | C7 | H4 | 108.0° | 108.9° |
O4 | C16 | N3 | 117.6° | 120.6° |
C22 | C15 | C14 | 120.0° | 120.0° |
C22 | C15 | N2 | 123.4° | 120.1° |
C16 | N3 | N2 | 126.1° | 121.8° |
C16 | N3 | H10 | 117.0° | 119.1° |
C10 | C11 | C12 | 111.1° | 110.3° |
C11 | C10 | H1 | 108.9° | 108.5° |
C11 | C10 | H2 | 108.9° | 108.5° |
C10 | C11 | H21 | 109.0° | 109.3° |
C10 | C11 | H22 | 109.1° | 109.3° |
O | C | N | 122.8° | 120.0° |
O | C | C14 | 119.5° | 120.0° |
C3 | O1 | C2 | 117.4° | 117.0° |
O1 | C3 | H5 | 109.5° | 109.5° |
O1 | C3 | H6 | 109.5° | 109.5° |
O1 | C3 | H7 | 109.5° | 109.5° |
C12 | N1 | S | 119.2° | 118.6° |
N1 | C12 | C11 | 114.0° | 109.6° |
N1 | C12 | H19 | 108.3° | 109.4° |
N1 | C12 | H20 | 108.3° | 109.5° |
N1 | S | O2 | 110.7° | 106.4° |
N1 | S | C6 | 104.2° | 107.2° |
N1 | S | O3 | 106.2° | 106.4° |
C5 | C4 | C2 | 120.3° | 120.0° |
C4 | C5 | C6 | 122.5° | 120.2° |
C5 | C4 | H8 | 119.8° | 120.0° |
C4 | C5 | H9 | 118.8° | 119.9° |
C4 | C2 | O1 | 123.6° | 120.1° |
C4 | C2 | C1 | 119.4° | 119.8° |
C2 | C4 | H8 | 119.9° | 120.0° |
O1 | C2 | C1 | 117.0° | 120.1° |
C5 | C6 | C13 | 117.0° | 120.2° |
C5 | C6 | S | 121.9° | 119.9° |
C6 | C5 | H9 | 118.7° | 119.9° |
C2 | C1 | C13 | 118.9° | 119.8° |
C2 | C1 | N | 121.9° | 120.1° |
C14 | C15 | N2 | 116.6° | 120.0° |
C15 | C14 | C | 116.8° | 109.5° |
C15 | C14 | H15 | 107.6° | 109.4° |
C15 | C14 | H16 | 107.6° | 109.4° |
C15 | N2 | N3 | 118.8° | 122.7° |
C11 | C12 | H19 | 108.3° | 109.5° |
C11 | C12 | H20 | 108.3° | 109.4° |
C12 | C11 | H21 | 109.1° | 109.3° |
C12 | C11 | H22 | 109.1° | 109.3° |
N2 | N3 | H10 | 117.0° | 119.2° |
O2 | S | C6 | 109.7° | 106.4° |
O2 | S | O3 | 116.8° | 123.2° |
C13 | C6 | S | 120.9° | 119.9° |
C6 | C13 | C1 | 121.8° | 120.0° |
C6 | C13 | H18 | 119.1° | 120.1° |
C6 | S | O3 | 108.4° | 106.4° |
N | C | C14 | 117.6° | 120.0° |
C | N | C1 | 126.0° | 120.0° |
C | N | H17 | 117.0° | 120.0° |
C | C14 | H15 | 107.6° | 109.5° |
C | C14 | H16 | 107.6° | 109.5° |
C13 | C1 | N | 119.1° | 120.1° |
C1 | C13 | H18 | 119.1° | 120.0° |
C1 | N | H17 | 117.0° | 120.0° |
H1 | C10 | H2 | 109.5° | 108.5° |
H3 | C7 | H4 | 109.5° | 108.9° |
H5 | C3 | H6 | 109.5° | 109.4° |
H5 | C3 | H7 | 109.5° | 109.5° |
H6 | C3 | H7 | 109.5° | 109.5° |
H15 | C14 | H16 | 109.5° | 109.5° |
H19 | C12 | H20 | 109.5° | 109.5° |
H21 | C11 | H22 | 109.5° | 109.2° |
H23 | C9 | H24 | 109.5° | 109.5° |
H25 | C8 | H26 | 109.5° | 109.2° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C20 | C19 | C18 | H13 | 180.0° | 180.0° |
C19 | C20 | C21 | H12 | 180.0° | 180.0° |
C20 | C19 | C18 | C17 | 0.4° | 0.0° |
C19 | C20 | C21 | C22 | 0.4° | 0.0° |
C19 | C20 | C21 | H11 | 179.6° | 180.0° |
C20 | C19 | C18 | H14 | 179.6° | 180.0° |
C18 | C19 | C20 | C21 | 0.3° | 0.0° |
C19 | C18 | C17 | H14 | 180.0° | 179.9° |
C19 | C18 | C17 | C22 | 0.1° | 0.1° |
C19 | C18 | C17 | C16 | 179.9° | 180.0° |
C18 | C19 | C20 | H12 | 179.7° | 180.0° |
C20 | C21 | C22 | H11 | 180.0° | 180.0° |
C20 | C21 | C22 | C17 | 0.8° | 0.0° |
C20 | C21 | C22 | C15 | 178.5° | 180.0° |
C21 | C20 | C19 | H13 | 179.7° | 180.0° |
C18 | C17 | C22 | C21 | 0.7° | 0.0° |
C18 | C17 | C22 | C16 | 179.8° | 179.9° |
C18 | C17 | C16 | O4 | 1.6° | 0.1° |
C18 | C17 | C22 | C15 | 178.7° | 179.9° |
C18 | C17 | C16 | N3 | 179.4° | 179.8° |
C17 | C18 | C19 | H13 | 179.6° | 179.9° |
C9 | C8 | C7 | H25 | 120.4° | 120.3° |
C9 | C8 | C7 | H26 | 120.4° | 120.1° |
C8 | C9 | C10 | H23 | 120.6° | 119.9° |
C8 | C9 | C10 | H24 | 120.6° | 120.0° |
C9 | C8 | C7 | N1 | 77.3° | 40.6° |
C8 | C9 | C10 | C11 | 64.6° | 85.0° |
C8 | C9 | C10 | H1 | 175.0° | 153.8° |
C8 | C9 | C10 | H2 | 55.7° | 36.2° |
C9 | C8 | C7 | H3 | 161.8° | 161.3° |
C9 | C8 | C7 | H4 | 43.6° | 80.0° |
C8 | C9 | H23 | H24 | 118.1° | 120.1° |
C9 | C8 | H25 | H26 | 118.8° | 119.7° |
C7 | C8 | C9 | C10 | 83.2° | 91.9° |
C8 | C7 | N1 | H3 | 120.9° | 120.7° |
C8 | C7 | N1 | H4 | 120.9° | 120.6° |
C8 | C7 | N1 | C12 | 16.6° | 42.1° |
C8 | C7 | N1 | S | 160.6° | 137.9° |
C8 | C7 | H3 | H4 | 117.3° | 118.7° |
C7 | C8 | C9 | H23 | 37.4° | 28.0° |
C7 | C8 | C9 | H24 | 156.2° | 148.1° |
C7 | C8 | H25 | H26 | 118.8° | 119.6° |
C9 | C10 | C11 | H1 | 120.3° | 121.2° |
C9 | C10 | C11 | H2 | 120.3° | 121.1° |
C9 | C10 | C11 | C12 | 71.0° | 62.8° |
C9 | C10 | H1 | H2 | 118.9° | 117.5° |
C9 | C10 | C11 | H21 | 49.2° | 176.9° |
C9 | C10 | C11 | H22 | 168.7° | 57.4° |
C10 | C9 | H23 | H24 | 118.2° | 120.0° |
C10 | C9 | C8 | H25 | 37.2° | 28.3° |
C10 | C9 | C8 | H26 | 156.4° | 147.9° |
C21 | C22 | C17 | C15 | 179.4° | 180.0° |
C21 | C22 | C17 | C16 | 179.5° | 180.0° |
C21 | C22 | C15 | C14 | 3.7° | 0.0° |
C21 | C22 | C15 | N2 | 179.3° | 179.8° |
C22 | C21 | C20 | H12 | 179.6° | 180.0° |
C22 | C17 | C16 | O4 | 178.6° | 180.0° |
C22 | C17 | C16 | N3 | 0.4° | 0.3° |
C17 | C22 | C15 | C14 | 175.7° | 180.0° |
C17 | C22 | C15 | N2 | 1.3° | 0.2° |
C17 | C22 | C21 | H11 | 179.1° | 180.0° |
C22 | C17 | C18 | H14 | 179.9° | 180.0° |
C17 | C16 | O4 | N3 | 178.9° | 179.7° |
C16 | C17 | C22 | C15 | 1.1° | 0.0° |
C17 | C16 | N3 | N2 | 0.3° | 0.3° |
C17 | C16 | N3 | H10 | 179.7° | 179.7° |
C16 | C17 | C18 | H14 | 0.1° | 0.1° |
C7 | N1 | C12 | S | 177.2° | 180.0° |
C7 | N1 | C12 | C11 | 57.4° | 90.7° |
C7 | N1 | S | O2 | 46.2° | 23.5° |
C7 | N1 | S | C6 | 71.7° | 90.0° |
C7 | N1 | S | O3 | 173.9° | 156.4° |
N1 | C7 | H3 | H4 | 117.3° | 118.7° |
C7 | N1 | C12 | H19 | 63.2° | 149.2° |
C7 | N1 | C12 | H20 | 178.1° | 29.3° |
N1 | C7 | C8 | H25 | 43.1° | 79.7° |
N1 | C7 | C8 | H26 | 162.3° | 160.8° |
O4 | C16 | N3 | N2 | 179.4° | 180.0° |
O4 | C16 | N3 | H10 | 0.6° | 0.0° |
C22 | C15 | C14 | N2 | 177.2° | 179.8° |
C22 | C15 | N2 | N3 | 0.6° | 0.2° |
C22 | C15 | C14 | C | 70.9° | 180.0° |
C15 | C22 | C21 | H11 | 1.5° | 0.0° |
C22 | C15 | C14 | H15 | 168.0° | 60.0° |
C22 | C15 | C14 | H16 | 50.1° | 60.0° |
C16 | N3 | N2 | C15 | 0.2° | 0.0° |
C16 | N3 | N2 | H10 | 180.0° | 180.0° |
C10 | C11 | C12 | N1 | 90.1° | 71.3° |
C10 | C11 | C12 | H21 | 120.2° | 120.2° |
C10 | C11 | C12 | H22 | 120.3° | 120.3° |
C11 | C10 | H1 | H2 | 119.0° | 117.8° |
C10 | C11 | C12 | H19 | 30.5° | 168.7° |
C10 | C11 | C12 | H20 | 149.2° | 48.7° |
C10 | C11 | H21 | H22 | 119.3° | 119.6° |
C11 | C10 | C9 | H23 | 56.0° | 34.9° |
C11 | C10 | C9 | H24 | 174.8° | 155.0° |
O | C | C14 | C15 | 15.7° | 0.1° |
O | C | N | C14 | 178.6° | 179.9° |
O | C | N | C1 | 2.0° | 4.6° |
O | C | C14 | H15 | 105.4° | 120.0° |
O | C | C14 | H16 | 136.7° | 119.9° |
O | C | N | H17 | 177.9° | 175.6° |
C3 | O1 | C2 | C4 | 11.0° | 0.1° |
C3 | O1 | C2 | C1 | 168.7° | 180.0° |
O1 | C3 | H5 | H6 | 120.0° | 120.0° |
O1 | C3 | H5 | H7 | 120.0° | 120.1° |
O1 | C3 | H6 | H7 | 120.0° | 120.1° |
N1 | C12 | C11 | H19 | 120.6° | 120.0° |
N1 | C12 | C11 | H20 | 120.6° | 120.0° |
C12 | N1 | S | O2 | 136.6° | 156.5° |
C12 | N1 | S | C6 | 105.5° | 90.0° |
C12 | N1 | S | O3 | 8.9° | 23.6° |
C12 | N1 | C7 | H3 | 137.4° | 78.6° |
C12 | N1 | C7 | H4 | 104.3° | 162.7° |
N1 | C12 | H19 | H20 | 117.9° | 120.0° |
N1 | C12 | C11 | H21 | 30.1° | 168.5° |
N1 | C12 | C11 | H22 | 149.6° | 49.0° |
N1 | S | C6 | C5 | 131.2° | 90.0° |
S | N1 | C12 | C11 | 125.3° | 89.3° |
N1 | S | O2 | C6 | 114.5° | 114.1° |
N1 | S | O2 | O3 | 121.7° | 122.9° |
N1 | S | C6 | C13 | 52.9° | 90.0° |
N1 | S | C6 | O3 | 112.8° | 113.5° |
S | N1 | C7 | H3 | 39.7° | 101.5° |
S | N1 | C7 | H4 | 78.5° | 17.2° |
S | N1 | C12 | H19 | 114.0° | 30.8° |
S | N1 | C12 | H20 | 4.7° | 150.7° |
C5 | C4 | C2 | H8 | 180.0° | 179.9° |
C5 | C4 | C2 | O1 | 179.3° | 179.9° |
C4 | C5 | C6 | H9 | 180.0° | 180.0° |
C5 | C4 | C2 | C1 | 0.4° | 0.0° |
C4 | C5 | C6 | C13 | 1.1° | 0.0° |
C4 | C5 | C6 | S | 174.9° | 180.0° |
C4 | C2 | O1 | C1 | 179.8° | 179.9° |
C2 | C4 | C5 | C6 | 0.2° | 0.0° |
C4 | C2 | C1 | C13 | 0.7° | 0.0° |
C4 | C2 | C1 | N | 174.9° | 179.7° |
C2 | C4 | C5 | H9 | 179.8° | 180.0° |
O1 | C2 | C1 | C13 | 179.6° | 180.0° |
O1 | C2 | C1 | N | 4.9° | 0.2° |
C2 | O1 | C3 | H5 | 180.0° | 179.9° |
C2 | O1 | C3 | H6 | 60.0° | 60.0° |
C2 | O1 | C3 | H7 | 60.0° | 60.0° |
O1 | C2 | C4 | H8 | 0.7° | 0.0° |
C5 | C6 | S | O2 | 12.7° | 156.5° |
C5 | C6 | C13 | S | 176.1° | 180.0° |
C5 | C6 | C13 | C1 | 2.3° | 0.0° |
C5 | C6 | S | O3 | 115.9° | 23.5° |
C6 | C5 | C4 | H8 | 179.8° | 180.0° |
C5 | C6 | C13 | H18 | 177.7° | 179.8° |
C2 | C1 | C13 | C6 | 2.1° | 0.0° |
C2 | C1 | N | C | 142.2° | 145.1° |
C2 | C1 | C13 | N | 175.7° | 179.8° |
C1 | C2 | C4 | H8 | 179.6° | 179.9° |
C2 | C1 | N | H17 | 37.7° | 34.8° |
C2 | C1 | C13 | H18 | 177.9° | 179.8° |
C14 | C15 | N2 | N3 | 176.5° | 180.0° |
C15 | C14 | C | N | 162.9° | 179.9° |
C15 | C14 | C | H15 | 121.1° | 119.9° |
C15 | C14 | C | H16 | 121.0° | 120.0° |
C15 | C14 | H15 | H16 | 116.7° | 120.0° |
N2 | C15 | C14 | C | 106.3° | 0.2° |
C15 | N2 | N3 | H10 | 179.8° | 180.0° |
N2 | C15 | C14 | H15 | 14.8° | 119.7° |
N2 | C15 | C14 | H16 | 132.7° | 120.2° |
C12 | C11 | C10 | H1 | 168.6° | 176.0° |
C12 | C11 | C10 | H2 | 49.3° | 58.2° |
C11 | C12 | H19 | H20 | 118.0° | 119.9° |
C12 | C11 | H21 | H22 | 119.3° | 119.6° |
O2 | S | C6 | C13 | 171.5° | 23.5° |
O2 | S | C6 | O3 | 128.6° | 132.9° |
C6 | C13 | C1 | H18 | 180.0° | 179.8° |
C6 | C13 | C1 | N | 173.6° | 179.7° |
C13 | C6 | S | O3 | 59.9° | 156.4° |
C13 | C6 | C5 | H9 | 178.8° | 180.0° |
S | C6 | C13 | C1 | 173.8° | 180.0° |
S | C6 | C5 | H9 | 5.1° | 0.0° |
S | C6 | C13 | H18 | 6.2° | 0.2° |
C | N | C1 | C13 | 42.2° | 34.7° |
C | N | C1 | H17 | 180.0° | 179.9° |
N | C | C14 | H15 | 76.0° | 60.1° |
N | C | C14 | H16 | 41.9° | 60.0° |
C14 | C | N | C1 | 179.4° | 175.5° |
C | C14 | H15 | H16 | 116.7° | 120.1° |
C14 | C | N | H17 | 0.6° | 4.3° |
C13 | C1 | N | H17 | 137.8° | 145.4° |
N | C1 | C13 | H18 | 6.4° | 0.0° |
H1 | C10 | C11 | H21 | 71.1° | 55.7° |
H1 | C10 | C11 | H22 | 48.4° | 63.8° |
H1 | C10 | C9 | H23 | 64.4° | 86.3° |
H1 | C10 | C9 | H24 | 54.4° | 33.8° |
H2 | C10 | C11 | H21 | 169.5° | 62.0° |
H2 | C10 | C11 | H22 | 71.0° | 178.5° |
H2 | C10 | C9 | H23 | 176.3° | 156.1° |
H2 | C10 | C9 | H24 | 64.9° | 83.8° |
H3 | C7 | C8 | H25 | 77.8° | 41.0° |
H3 | C7 | C8 | H26 | 41.5° | 78.6° |
H4 | C7 | C8 | H25 | 164.0° | 159.7° |
H4 | C7 | C8 | H26 | 76.8° | 40.1° |
H5 | C3 | H6 | H7 | 120.0° | 119.9° |
H8 | C4 | C5 | H9 | 0.2° | 0.0° |
H11 | C21 | C20 | H12 | 0.4° | 0.0° |
H12 | C20 | C19 | H13 | 0.3° | 0.0° |
H13 | C19 | C18 | H14 | 0.4° | 0.0° |
H19 | C12 | C11 | H21 | 150.7° | 48.5° |
H19 | C12 | C11 | H22 | 89.8° | 71.0° |
H20 | C12 | C11 | H21 | 90.5° | 71.5° |
H20 | C12 | C11 | H22 | 29.0° | 169.0° |
H23 | C9 | C8 | H25 | 157.8° | 148.2° |
H23 | C9 | C8 | H26 | 83.0° | 92.1° |
H24 | C9 | C8 | H25 | 83.4° | 91.6° |
H24 | C9 | C8 | H26 | 35.8° | 28.0° |