WS0
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
O | C | doub | 1.21Å | 1.22Å | |
C | C1 | sing | 1.51Å | 1.51Å | |
C | O1 | sing | 1.34Å | 1.31Å | |
C1 | C2 | sing | 1.53Å | 1.53Å | |
C3 | C2 | sing | 1.53Å | 1.52Å | |
C3 | C4 | sing | 1.53Å | 1.52Å | |
C2 | C21 | sing | 1.53Å | 1.52Å | |
C21 | C20 | sing | 1.53Å | 1.52Å | |
C4 | C5 | sing | 1.53Å | 1.53Å | |
C5 | C20 | sing | 1.53Å | 1.53Å | |
C5 | C6 | sing | 1.51Å | 1.51Å | |
C6 | C19 | doub | 1.38Å | 1.38Å | Aromatic |
C6 | C7 | sing | 1.38Å | 1.39Å | Aromatic |
C19 | C18 | sing | 1.38Å | 1.38Å | Aromatic |
C7 | C8 | doub | 1.38Å | 1.38Å | Aromatic |
C18 | C9 | doub | 1.40Å | 1.39Å | Aromatic |
C8 | C9 | sing | 1.40Å | 1.39Å | Aromatic |
C9 | C10 | sing | 1.47Å | 1.47Å | |
C10 | N | doub | 1.30Å | 1.28Å | |
C10 | C15 | sing | 1.51Å | 1.52Å | |
N | C11 | sing | 1.36Å | 1.38Å | |
C17 | C15 | sing | 1.53Å | 1.52Å | |
N1 | C12 | sing | 1.39Å | 1.33Å | |
C15 | C16 | sing | 1.53Å | 1.52Å | |
C15 | O2 | sing | 1.43Å | 1.46Å | |
C11 | C12 | doub | 1.40Å | 1.41Å | Aromatic |
C11 | C14 | sing | 1.40Å | 1.41Å | Aromatic |
C12 | N2 | sing | 1.33Å | 1.35Å | Aromatic |
O2 | C14 | sing | 1.35Å | 1.33Å | |
C14 | N3 | doub | 1.32Å | 1.31Å | Aromatic |
N2 | C13 | doub | 1.32Å | 1.33Å | Aromatic |
N3 | C13 | sing | 1.32Å | 1.32Å | Aromatic |
C1 | H1 | sing | 1.09Å | 1.10Å | |
C1 | H2 | sing | 1.09Å | 1.10Å | |
C13 | H3 | sing | 1.08Å | 1.08Å | |
C16 | H4 | sing | 1.09Å | 1.10Å | |
C16 | H5 | sing | 1.09Å | 1.10Å | |
C16 | H6 | sing | 1.09Å | 1.10Å | |
C17 | H7 | sing | 1.09Å | 1.10Å | |
C17 | H8 | sing | 1.09Å | 1.10Å | |
C17 | H9 | sing | 1.09Å | 1.10Å | |
C18 | H10 | sing | 1.08Å | 1.08Å | |
C19 | H11 | sing | 1.08Å | 1.08Å | |
C2 | H12 | sing | 1.09Å | 1.10Å | |
C20 | H13 | sing | 1.09Å | 1.10Å | |
C20 | H14 | sing | 1.09Å | 1.10Å | |
C3 | H15 | sing | 1.09Å | 1.10Å | |
C3 | H16 | sing | 1.09Å | 1.10Å | |
C4 | H17 | sing | 1.09Å | 1.10Å | |
C4 | H18 | sing | 1.09Å | 1.10Å | |
C5 | H19 | sing | 1.09Å | 1.10Å | |
C7 | H20 | sing | 1.08Å | 1.08Å | |
C8 | H21 | sing | 1.08Å | 1.08Å | |
N1 | H22 | sing | 0.97Å | 1.00Å | |
N1 | H23 | sing | 0.97Å | 1.00Å | |
O1 | H24 | sing | 0.97Å | 0.95Å | |
C21 | H25 | sing | 1.09Å | 1.10Å | |
C21 | H26 | sing | 1.09Å | 1.10Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O | C | C1 | 123.0° | 120.0° |
O | C | O1 | 123.6° | 120.0° |
C1 | C | O1 | 113.4° | 120.0° |
C | C1 | C2 | 113.8° | 109.5° |
C | C1 | H1 | 108.4° | 109.5° |
C | C1 | H2 | 108.4° | 109.5° |
C | O1 | H24 | 109.5° | 117.0° |
C1 | C2 | C3 | 111.8° | 109.5° |
C1 | C2 | C21 | 111.6° | 109.5° |
C2 | C1 | H1 | 108.4° | 109.4° |
C2 | C1 | H2 | 108.4° | 109.4° |
C1 | C2 | H12 | 108.0° | 109.5° |
C2 | C3 | C4 | 112.0° | 109.5° |
C3 | C2 | C21 | 109.0° | 109.5° |
C3 | C2 | H12 | 108.1° | 109.5° |
C2 | C3 | H15 | 108.9° | 109.5° |
C2 | C3 | H16 | 108.8° | 109.5° |
C3 | C4 | C5 | 110.4° | 109.5° |
C4 | C3 | H15 | 108.9° | 109.4° |
C4 | C3 | H16 | 108.9° | 109.4° |
C3 | C4 | H17 | 109.3° | 109.5° |
C3 | C4 | H18 | 109.2° | 109.5° |
C2 | C21 | C20 | 111.9° | 109.5° |
C21 | C2 | H12 | 108.1° | 109.5° |
C2 | C21 | H25 | 108.9° | 109.5° |
C2 | C21 | H26 | 108.8° | 109.5° |
C21 | C20 | C5 | 110.9° | 109.4° |
C21 | C20 | H13 | 109.1° | 109.4° |
C21 | C20 | H14 | 109.1° | 109.5° |
C20 | C21 | H25 | 108.8° | 109.5° |
C20 | C21 | H26 | 108.9° | 109.4° |
C4 | C5 | C20 | 109.5° | 109.5° |
C4 | C5 | C6 | 112.9° | 109.5° |
C5 | C4 | H17 | 109.2° | 109.5° |
C5 | C4 | H18 | 109.2° | 109.4° |
C4 | C5 | H19 | 107.3° | 109.5° |
C20 | C5 | C6 | 112.2° | 109.4° |
C5 | C20 | H13 | 109.1° | 109.5° |
C5 | C20 | H14 | 109.1° | 109.5° |
C20 | C5 | H19 | 107.3° | 109.5° |
C5 | C6 | C19 | 120.9° | 119.8° |
C5 | C6 | C7 | 120.7° | 119.8° |
C6 | C5 | H19 | 107.4° | 109.5° |
C19 | C6 | C7 | 118.2° | 120.4° |
C6 | C19 | C18 | 121.0° | 120.2° |
C6 | C19 | H11 | 119.5° | 119.9° |
C6 | C7 | C8 | 121.1° | 120.2° |
C6 | C7 | H20 | 119.4° | 119.9° |
C19 | C18 | C9 | 120.7° | 119.8° |
C19 | C18 | H10 | 119.7° | 120.1° |
C18 | C19 | H11 | 119.5° | 119.9° |
C7 | C8 | C9 | 120.6° | 119.8° |
C8 | C7 | H20 | 119.5° | 119.9° |
C7 | C8 | H21 | 119.7° | 120.1° |
C18 | C9 | C8 | 118.4° | 119.7° |
C18 | C9 | C10 | 120.4° | 120.2° |
C9 | C18 | H10 | 119.7° | 120.1° |
C8 | C9 | C10 | 121.0° | 120.1° |
C9 | C8 | H21 | 119.7° | 120.1° |
C9 | C10 | N | 117.9° | 119.7° |
C9 | C10 | C15 | 118.9° | 119.7° |
N | C10 | C15 | 123.1° | 120.6° |
C10 | N | C11 | 118.9° | 120.1° |
C10 | C15 | C17 | 110.5° | 109.4° |
C10 | C15 | C16 | 111.4° | 109.4° |
C10 | C15 | O2 | 114.1° | 109.8° |
N | C11 | C12 | 122.2° | 121.9° |
N | C11 | C14 | 122.8° | 119.8° |
C17 | C15 | C16 | 111.2° | 109.4° |
C17 | C15 | O2 | 105.0° | 109.3° |
C15 | C17 | H7 | 109.5° | 109.5° |
C15 | C17 | H8 | 109.4° | 109.5° |
C15 | C17 | H9 | 109.5° | 109.5° |
N1 | C12 | C11 | 123.4° | 120.7° |
N1 | C12 | N2 | 118.0° | 120.8° |
C12 | N1 | H22 | 109.5° | 120.0° |
C12 | N1 | H23 | 109.5° | 119.9° |
C16 | C15 | O2 | 104.4° | 109.4° |
C15 | C16 | H4 | 109.5° | 109.5° |
C15 | C16 | H5 | 109.4° | 109.5° |
C15 | C16 | H6 | 109.5° | 109.5° |
C15 | O2 | C14 | 120.1° | 116.1° |
C12 | C11 | C14 | 115.0° | 118.3° |
C11 | C12 | N2 | 118.6° | 118.4° |
C11 | C14 | O2 | 120.1° | 119.2° |
C11 | C14 | N3 | 126.8° | 119.1° |
C12 | N2 | C13 | 118.9° | 121.1° |
O2 | C14 | N3 | 113.0° | 121.7° |
C14 | N3 | C13 | 112.6° | 120.7° |
N2 | C13 | N3 | 128.1° | 122.4° |
N2 | C13 | H3 | 116.0° | 118.8° |
N3 | C13 | H3 | 116.0° | 118.8° |
H1 | C1 | H2 | 109.5° | 109.6° |
H4 | C16 | H5 | 109.5° | 109.5° |
H4 | C16 | H6 | 109.5° | 109.5° |
H5 | C16 | H6 | 109.4° | 109.5° |
H7 | C17 | H8 | 109.5° | 109.4° |
H7 | C17 | H9 | 109.5° | 109.4° |
H8 | C17 | H9 | 109.5° | 109.5° |
H13 | C20 | H14 | 109.5° | 109.5° |
H15 | C3 | H16 | 109.5° | 109.5° |
H17 | C4 | H18 | 109.5° | 109.5° |
H22 | N1 | H23 | 109.5° | 120.0° |
H25 | C21 | H26 | 109.5° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O | C | C1 | O1 | 179.7° | 180.0° |
O | C | C1 | C2 | 108.6° | 0.0° |
O | C | C1 | H1 | 130.8° | 119.9° |
O | C | C1 | H2 | 12.1° | 119.9° |
O | C | O1 | H24 | 0.0° | 0.0° |
C | C1 | C2 | H1 | 120.6° | 120.0° |
C | C1 | C2 | H2 | 120.6° | 120.0° |
C | C1 | C2 | C3 | 173.0° | 65.0° |
C | C1 | C2 | C21 | 64.6° | 175.0° |
C | C1 | H1 | H2 | 118.0° | 120.1° |
C | C1 | C2 | H12 | 54.2° | 55.0° |
C1 | C | O1 | H24 | 179.7° | 180.0° |
O1 | C | C1 | C2 | 71.1° | 180.0° |
O1 | C | C1 | H1 | 49.5° | 60.1° |
O1 | C | C1 | H2 | 168.3° | 60.1° |
C1 | C2 | C3 | C21 | 123.9° | 120.0° |
C1 | C2 | C3 | H12 | 118.8° | 120.0° |
C1 | C2 | C3 | C4 | 179.3° | 180.0° |
C1 | C2 | C21 | H12 | 118.7° | 120.0° |
C1 | C2 | C21 | C20 | 179.7° | NaN° |
C2 | C1 | H1 | H2 | 118.0° | 120.0° |
C1 | C2 | C3 | H15 | 58.9° | 60.0° |
C1 | C2 | C3 | H16 | 60.3° | 60.0° |
C1 | C2 | C21 | H25 | 59.9° | 60.0° |
C1 | C2 | C21 | H26 | 59.4° | 60.0° |
C2 | C3 | C4 | H15 | 120.4° | 120.0° |
C2 | C3 | C4 | H16 | 120.4° | 120.0° |
C3 | C2 | C21 | H12 | 117.3° | 120.0° |
C3 | C2 | C21 | C20 | 56.2° | 60.0° |
C2 | C3 | C4 | C5 | 58.3° | 60.0° |
C3 | C2 | C1 | H1 | 52.4° | 175.0° |
C3 | C2 | C1 | H2 | 66.3° | 55.0° |
C2 | C3 | H15 | H16 | 118.8° | 120.1° |
C2 | C3 | C4 | H17 | 61.8° | 60.0° |
C2 | C3 | C4 | H18 | 178.4° | 180.0° |
C3 | C2 | C21 | H25 | 64.1° | 60.0° |
C3 | C2 | C21 | H26 | 176.6° | 180.0° |
C4 | C3 | C2 | C21 | 56.8° | 60.0° |
C3 | C4 | C5 | H17 | 120.2° | 120.0° |
C3 | C4 | C5 | H18 | 120.1° | 120.0° |
C3 | C4 | C5 | C20 | 57.0° | 60.0° |
C3 | C4 | C5 | C6 | 177.2° | 180.0° |
C4 | C3 | C2 | H12 | 60.5° | 60.0° |
C4 | C3 | H15 | H16 | 118.9° | 119.9° |
C3 | C4 | H17 | H18 | 119.6° | 120.0° |
C3 | C4 | C5 | H19 | 59.1° | 60.0° |
C2 | C21 | C20 | H25 | 120.4° | 120.0° |
C2 | C21 | C20 | H26 | 120.4° | 120.0° |
C2 | C21 | C20 | C5 | 57.5° | 60.0° |
C21 | C2 | C1 | H1 | 174.8° | 55.0° |
C21 | C2 | C1 | H2 | 56.1° | 65.0° |
C2 | C21 | C20 | H13 | 177.8° | 60.0° |
C2 | C21 | C20 | H14 | 62.7° | 180.0° |
C21 | C2 | C3 | H15 | 177.2° | 180.0° |
C21 | C2 | C3 | H16 | 63.6° | 60.0° |
C2 | C21 | H25 | H26 | 118.9° | 120.0° |
C21 | C20 | C5 | C4 | 56.8° | 60.0° |
C21 | C20 | C5 | H13 | 120.2° | 120.0° |
C21 | C20 | C5 | H14 | 120.2° | 120.0° |
C21 | C20 | C5 | C6 | 177.0° | 180.0° |
C20 | C21 | C2 | H12 | 61.0° | 60.0° |
C21 | C20 | H13 | H14 | 119.3° | 120.0° |
C21 | C20 | C5 | H19 | 59.3° | 60.0° |
C20 | C21 | H25 | H26 | 118.9° | 120.0° |
C4 | C5 | C20 | C6 | 126.2° | 120.0° |
C4 | C5 | C20 | H19 | 116.1° | 120.0° |
C4 | C5 | C6 | H19 | 118.1° | 120.0° |
C4 | C5 | C6 | C19 | 73.1° | 120.0° |
C4 | C5 | C6 | C7 | 111.0° | 59.9° |
C4 | C5 | C20 | H13 | 177.0° | 59.9° |
C4 | C5 | C20 | H14 | 63.4° | 180.0° |
C5 | C4 | C3 | H15 | 178.7° | 180.0° |
C5 | C4 | C3 | H16 | 62.1° | 60.0° |
C5 | C4 | H17 | H18 | 119.5° | 120.0° |
C20 | C5 | C6 | H19 | 117.6° | 120.0° |
C20 | C5 | C6 | C19 | 162.6° | 120.0° |
C20 | C5 | C6 | C7 | 13.3° | 60.0° |
C5 | C20 | H13 | H14 | 119.3° | 120.1° |
C20 | C5 | C4 | H17 | 63.1° | 60.0° |
C20 | C5 | C4 | H18 | 177.2° | 180.0° |
C5 | C20 | C21 | H25 | 62.9° | 60.0° |
C5 | C20 | C21 | H26 | 177.9° | 180.0° |
C5 | C6 | C19 | C7 | 176.0° | 179.9° |
C5 | C6 | C19 | C18 | 174.0° | 180.0° |
C5 | C6 | C7 | C8 | 174.0° | 180.0° |
C5 | C6 | C19 | H11 | 6.0° | 0.0° |
C6 | C5 | C20 | H13 | 56.8° | 60.1° |
C6 | C5 | C20 | H14 | 62.8° | 60.0° |
C6 | C5 | C4 | H17 | 62.6° | 60.0° |
C6 | C5 | C4 | H18 | 57.1° | 60.0° |
C5 | C6 | C7 | H20 | 5.9° | 0.0° |
C6 | C19 | C18 | H11 | 180.0° | 180.0° |
C19 | C6 | C7 | C8 | 1.9° | 0.0° |
C6 | C19 | C18 | C9 | 0.2° | 0.0° |
C6 | C19 | C18 | H10 | 179.9° | 179.7° |
C19 | C6 | C5 | H19 | 44.9° | 0.0° |
C19 | C6 | C7 | H20 | 178.1° | 179.9° |
C7 | C6 | C19 | C18 | 2.0° | 0.0° |
C6 | C7 | C8 | H20 | 180.0° | 179.9° |
C6 | C7 | C8 | C9 | 0.1° | 0.0° |
C7 | C6 | C19 | H11 | 178.1° | 180.0° |
C7 | C6 | C5 | H19 | 130.9° | 180.0° |
C6 | C7 | C8 | H21 | 179.9° | 179.9° |
C19 | C18 | C9 | H10 | 180.0° | 179.7° |
C19 | C18 | C9 | C8 | 1.7° | 0.1° |
C19 | C18 | C9 | C10 | 174.7° | 179.7° |
C7 | C8 | C9 | C18 | 1.7° | 0.1° |
C7 | C8 | C9 | H21 | 180.0° | 179.9° |
C7 | C8 | C9 | C10 | 174.6° | 179.7° |
C18 | C9 | C8 | C10 | 176.3° | 179.7° |
C18 | C9 | C10 | N | 86.2° | 37.6° |
C18 | C9 | C10 | C15 | 91.4° | 142.7° |
C9 | C18 | C19 | H11 | 179.8° | 180.0° |
C18 | C9 | C8 | H21 | 178.3° | 180.0° |
C8 | C9 | C10 | N | 90.0° | 142.8° |
C8 | C9 | C10 | C15 | 92.4° | 36.9° |
C8 | C9 | C18 | H10 | 178.3° | 179.7° |
C9 | C8 | C7 | H20 | 179.9° | 180.0° |
C9 | C10 | N | C15 | 177.5° | 179.7° |
C9 | C10 | N | C11 | 175.0° | 177.7° |
C9 | C10 | C15 | C17 | 61.2° | 29.9° |
C9 | C10 | C15 | C16 | 62.9° | 90.0° |
C9 | C10 | C15 | O2 | 179.2° | 149.9° |
C10 | C9 | C18 | H10 | 5.4° | 0.0° |
C10 | C9 | C8 | H21 | 5.4° | 0.4° |
N | C10 | C15 | C17 | 116.3° | 150.4° |
N | C10 | C15 | C16 | 119.7° | 89.7° |
N | C10 | C15 | O2 | 1.8° | 30.4° |
C10 | N | C11 | C12 | 177.3° | 167.1° |
C10 | N | C11 | C14 | 0.3° | 13.6° |
C15 | C10 | N | C11 | 2.5° | 2.6° |
C10 | C15 | C17 | C16 | 124.2° | 119.9° |
C10 | C15 | C17 | O2 | 123.4° | 120.3° |
C10 | C15 | C16 | O2 | 123.6° | 120.3° |
C10 | C15 | O2 | C14 | 9.3° | 43.6° |
C10 | C15 | C16 | H4 | 180.0° | 60.0° |
C10 | C15 | C16 | H5 | 60.0° | 180.0° |
C10 | C15 | C16 | H6 | 60.0° | 60.0° |
C10 | C15 | C17 | H7 | 180.0° | 51.6° |
C10 | C15 | C17 | H8 | 60.0° | 171.6° |
C10 | C15 | C17 | H9 | 60.0° | 68.4° |
N | C11 | C12 | N1 | 4.7° | 0.3° |
N | C11 | C12 | C14 | 177.2° | 179.3° |
N | C11 | C12 | N2 | 175.9° | 179.7° |
N | C11 | C14 | O2 | 8.1° | 0.9° |
N | C11 | C14 | N3 | 175.1° | 179.9° |
C17 | C15 | C16 | O2 | 112.8° | 119.8° |
C17 | C15 | O2 | C14 | 111.8° | 163.6° |
C17 | C15 | C16 | H4 | 56.3° | 59.9° |
C17 | C15 | C16 | H5 | 176.3° | 60.1° |
C17 | C15 | C16 | H6 | 63.7° | 179.9° |
C15 | C17 | H7 | H8 | 120.0° | 120.0° |
C15 | C17 | H7 | H9 | 120.0° | 120.0° |
C15 | C17 | H8 | H9 | 120.0° | 120.1° |
N1 | C12 | C11 | N2 | 179.5° | 180.0° |
N1 | C12 | C11 | C14 | 178.1° | 179.6° |
N1 | C12 | N2 | C13 | 179.4° | 179.9° |
C12 | N1 | H22 | H23 | 120.0° | 179.9° |
C16 | C15 | O2 | C14 | 131.2° | 76.5° |
C15 | C16 | H4 | H5 | 120.0° | 120.0° |
C15 | C16 | H4 | H6 | 120.0° | 120.1° |
C15 | C16 | H5 | H6 | 120.0° | 120.0° |
C16 | C15 | C17 | H7 | 55.8° | 171.5° |
C16 | C15 | C17 | H8 | 64.2° | 68.6° |
C16 | C15 | C17 | H9 | 175.8° | 51.5° |
C15 | O2 | C14 | C11 | 12.4° | 31.1° |
C15 | O2 | C14 | N3 | 170.4° | 149.7° |
O2 | C15 | C16 | H4 | 56.4° | 179.6° |
O2 | C15 | C16 | H5 | 63.6° | 59.7° |
O2 | C15 | C16 | H6 | 176.4° | 60.3° |
O2 | C15 | C17 | H7 | 56.6° | 68.7° |
O2 | C15 | C17 | H8 | 176.6° | 51.3° |
O2 | C15 | C17 | H9 | 63.4° | 171.3° |
C12 | C11 | C14 | O2 | 174.7° | 178.4° |
C12 | C11 | C14 | N3 | 2.1° | 0.8° |
C11 | C12 | N2 | C13 | 0.1° | 0.1° |
C11 | C12 | N1 | H22 | 179.4° | 0.1° |
C11 | C12 | N1 | H23 | 60.6° | 179.9° |
C14 | C11 | C12 | N2 | 1.3° | 0.4° |
C11 | C14 | O2 | N3 | 177.2° | 179.2° |
C11 | C14 | N3 | C13 | 1.3° | 0.6° |
C12 | N2 | C13 | N3 | 0.9° | 0.3° |
C12 | N2 | C13 | H3 | 179.1° | 179.8° |
N2 | C12 | N1 | H22 | 0.0° | 180.0° |
N2 | C12 | N1 | H23 | 120.0° | 0.1° |
O2 | C14 | N3 | C13 | 175.7° | 178.6° |
C14 | N3 | C13 | N2 | 0.3° | 0.0° |
C14 | N3 | C13 | H3 | 179.7° | 179.9° |
N2 | C13 | N3 | H3 | 180.0° | 180.0° |
H1 | C1 | C2 | H12 | 66.5° | 65.0° |
H2 | C1 | C2 | H12 | 174.8° | 175.0° |
H4 | C16 | H5 | H6 | 120.0° | 120.0° |
H7 | C17 | H8 | H9 | 120.0° | 119.9° |
H10 | C18 | C19 | H11 | 0.1° | 0.3° |
H12 | C2 | C3 | H15 | 59.9° | 60.0° |
H12 | C2 | C3 | H16 | 179.1° | 179.9° |
H12 | C2 | C21 | H25 | 178.6° | 180.0° |
H12 | C2 | C21 | H26 | 59.3° | 60.0° |
H13 | C20 | C5 | H19 | 60.9° | 179.9° |
H13 | C20 | C21 | H25 | 57.4° | 180.0° |
H13 | C20 | C21 | H26 | 61.9° | 60.0° |
H14 | C20 | C5 | H19 | 179.5° | 60.0° |
H14 | C20 | C21 | H25 | 176.9° | 60.0° |
H14 | C20 | C21 | H26 | 57.7° | 60.0° |
H15 | C3 | C4 | H17 | 58.6° | 60.0° |
H15 | C3 | C4 | H18 | 61.2° | 60.0° |
H16 | C3 | C4 | H17 | 177.8° | 180.0° |
H16 | C3 | C4 | H18 | 58.1° | 60.0° |
H17 | C4 | C5 | H19 | 179.2° | 180.0° |
H18 | C4 | C5 | H19 | 61.0° | 60.0° |
H20 | C7 | C8 | H21 | 0.1° | 0.1° |