BQN
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
F6 | C12 | sing | 1.40Å | 1.32Å | |
C12 | F4 | sing | 1.40Å | 1.31Å | |
C12 | F5 | sing | 1.40Å | 1.32Å | |
C12 | C11 | sing | 1.51Å | 1.53Å | |
C11 | C9 | doub | 1.37Å | 1.42Å | Aromatic |
C11 | C13 | sing | 1.39Å | 1.40Å | Aromatic |
C9 | C10 | sing | 1.51Å | 1.52Å | |
C9 | C8 | sing | 1.40Å | 1.41Å | Aromatic |
C10 | F3 | sing | 1.40Å | 1.31Å | |
C10 | F2 | sing | 1.40Å | 1.32Å | |
C10 | F1 | sing | 1.40Å | 1.32Å | |
C13 | S | sing | 1.76Å | 1.70Å | |
C13 | C26 | doub | 1.39Å | 1.40Å | Aromatic |
S | C14 | sing | 1.76Å | 1.70Å | |
C14 | C19 | doub | 1.39Å | 1.40Å | Aromatic |
C14 | C15 | sing | 1.39Å | 1.39Å | Aromatic |
C19 | O3 | sing | 1.36Å | 1.38Å | |
C19 | C18 | sing | 1.39Å | 1.40Å | Aromatic |
O3 | C20 | sing | 1.43Å | 1.43Å | |
C20 | C21 | sing | 1.51Å | 1.51Å | |
C21 | C25 | doub | 1.39Å | 1.39Å | Aromatic |
C21 | C22 | sing | 1.38Å | 1.39Å | Aromatic |
C25 | C24 | sing | 1.39Å | 1.39Å | Aromatic |
C24 | C23 | doub | 1.38Å | 1.40Å | Aromatic |
C23 | N2 | sing | 1.32Å | 1.34Å | Aromatic |
N2 | C22 | doub | 1.32Å | 1.34Å | Aromatic |
C18 | C17 | doub | 1.38Å | 1.39Å | Aromatic |
C17 | C16 | sing | 1.38Å | 1.39Å | Aromatic |
C16 | C15 | doub | 1.38Å | 1.39Å | Aromatic |
C26 | C27 | sing | 1.37Å | 1.39Å | Aromatic |
C27 | C8 | doub | 1.40Å | 1.39Å | Aromatic |
C8 | C7 | sing | 1.47Å | 1.49Å | |
C7 | C6 | doub | 1.35Å | 1.34Å | |
C6 | C1 | sing | 1.46Å | 1.48Å | |
C1 | O1 | doub | 1.22Å | 1.22Å | |
C1 | N1 | sing | 1.35Å | 1.34Å | |
N1 | C5 | sing | 1.47Å | 1.47Å | |
N1 | C2 | sing | 1.47Å | 1.46Å | |
C5 | C4 | sing | 1.53Å | 1.53Å | |
C4 | O2 | sing | 1.43Å | 1.44Å | |
O2 | C3 | sing | 1.43Å | 1.43Å | |
C3 | C2 | sing | 1.53Å | 1.52Å | |
C20 | H20 | sing | 1.09Å | 1.10Å | |
C20 | H20A | sing | 1.09Å | 1.10Å | |
C25 | H25 | sing | 1.08Å | 1.08Å | |
C24 | H24 | sing | 1.08Å | 1.08Å | |
C23 | H23 | sing | 1.08Å | 1.08Å | |
C22 | H22 | sing | 1.08Å | 1.08Å | |
C18 | H18 | sing | 1.08Å | 1.08Å | |
C17 | H17 | sing | 1.08Å | 1.08Å | |
C16 | H16 | sing | 1.08Å | 1.08Å | |
C15 | H15 | sing | 1.08Å | 1.08Å | |
C26 | H26 | sing | 1.08Å | 1.08Å | |
C27 | H27 | sing | 1.08Å | 1.08Å | |
C7 | H7 | sing | 1.08Å | 1.08Å | |
C6 | H6 | sing | 1.08Å | 1.08Å | |
C5 | H5 | sing | 1.09Å | 1.10Å | |
C5 | H5A | sing | 1.09Å | 1.10Å | |
C4 | H4 | sing | 1.09Å | 1.10Å | |
C4 | H4A | sing | 1.09Å | 1.10Å | |
C3 | H3 | sing | 1.09Å | 1.10Å | |
C3 | H3A | sing | 1.09Å | 1.10Å | |
C2 | H2 | sing | 1.09Å | 1.10Å | |
C2 | H2A | sing | 1.09Å | 1.10Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
F6 | C12 | F4 | 110.2° | 109.5° |
F6 | C12 | F5 | 104.4° | 109.5° |
F6 | C12 | C11 | 109.0° | 109.5° |
F4 | C12 | F5 | 107.8° | 109.5° |
F4 | C12 | C11 | 113.4° | 109.4° |
F5 | C12 | C11 | 111.6° | 109.4° |
C12 | C11 | C9 | 121.5° | 120.0° |
C12 | C11 | C13 | 119.3° | 119.9° |
C9 | C11 | C13 | 119.1° | 120.1° |
C11 | C9 | C10 | 121.3° | 120.0° |
C11 | C9 | C8 | 119.8° | 119.9° |
C11 | C13 | S | 122.9° | 119.9° |
C11 | C13 | C26 | 120.1° | 120.1° |
C10 | C9 | C8 | 118.8° | 120.1° |
C9 | C10 | F3 | 115.0° | 109.5° |
C9 | C10 | F2 | 107.5° | 109.5° |
C9 | C10 | F1 | 111.1° | 109.5° |
C9 | C8 | C27 | 120.1° | 119.8° |
C9 | C8 | C7 | 120.9° | 120.1° |
F3 | C10 | F2 | 110.0° | 109.4° |
F3 | C10 | F1 | 109.6° | 109.5° |
F2 | C10 | F1 | 102.9° | 109.5° |
S | C13 | C26 | 116.9° | 119.9° |
C13 | S | C14 | 108.0° | 103.0° |
C13 | C26 | C27 | 120.8° | 120.1° |
C13 | C26 | H26 | 119.6° | 119.9° |
S | C14 | C19 | 121.4° | 120.0° |
S | C14 | C15 | 118.7° | 120.1° |
C19 | C14 | C15 | 119.8° | 119.9° |
C14 | C19 | O3 | 119.5° | 120.1° |
C14 | C19 | C18 | 119.8° | 119.8° |
C14 | C15 | C16 | 120.2° | 120.0° |
C14 | C15 | H15 | 119.9° | 120.0° |
O3 | C19 | C18 | 120.6° | 120.1° |
C19 | O3 | C20 | 122.7° | 117.0° |
C19 | C18 | C17 | 120.1° | 120.0° |
C19 | C18 | H18 | 119.9° | 119.9° |
O3 | C20 | C21 | 109.9° | 109.5° |
O3 | C20 | H20 | 109.3° | 109.5° |
O3 | C20 | H20A | 109.2° | 109.4° |
C20 | C21 | C25 | 120.7° | 120.4° |
C20 | C21 | C22 | 120.0° | 120.4° |
C21 | C20 | H20 | 109.3° | 109.4° |
C21 | C20 | H20A | 109.2° | 109.5° |
C25 | C21 | C22 | 119.3° | 119.2° |
C21 | C25 | C24 | 119.1° | 118.4° |
C21 | C25 | H25 | 120.4° | 120.8° |
C21 | C22 | N2 | 120.3° | 120.7° |
C21 | C22 | H22 | 119.9° | 119.7° |
C25 | C24 | C23 | 119.3° | 119.2° |
C24 | C25 | H25 | 120.5° | 120.8° |
C25 | C24 | H24 | 120.4° | 120.4° |
C24 | C23 | N2 | 120.2° | 120.8° |
C23 | C24 | H24 | 120.4° | 120.4° |
C24 | C23 | H23 | 119.9° | 119.7° |
C23 | N2 | C22 | 121.7° | 121.7° |
N2 | C23 | H23 | 119.9° | 119.6° |
N2 | C22 | H22 | 119.8° | 119.6° |
C18 | C17 | C16 | 119.9° | 120.2° |
C17 | C18 | H18 | 119.9° | 120.0° |
C18 | C17 | H17 | 120.1° | 119.9° |
C17 | C16 | C15 | 120.0° | 120.2° |
C16 | C17 | H17 | 120.0° | 119.9° |
C17 | C16 | H16 | 120.0° | 119.9° |
C15 | C16 | H16 | 120.0° | 120.0° |
C16 | C15 | H15 | 119.9° | 120.0° |
C26 | C27 | C8 | 120.1° | 119.9° |
C27 | C26 | H26 | 119.6° | 120.0° |
C26 | C27 | H27 | 120.0° | 120.0° |
C27 | C8 | C7 | 119.0° | 120.1° |
C8 | C27 | H27 | 119.9° | 120.1° |
C8 | C7 | C6 | 123.8° | 120.0° |
C8 | C7 | H7 | 118.1° | 120.0° |
C7 | C6 | C1 | 119.8° | 120.0° |
C6 | C7 | H7 | 118.1° | 120.0° |
C7 | C6 | H6 | 120.1° | 120.0° |
C6 | C1 | O1 | 118.1° | 120.0° |
C6 | C1 | N1 | 120.8° | 120.0° |
C1 | C6 | H6 | 120.1° | 120.0° |
O1 | C1 | N1 | 121.1° | 120.0° |
C1 | N1 | C5 | 124.5° | 121.0° |
C1 | N1 | C2 | 120.4° | 121.0° |
C5 | N1 | C2 | 115.1° | 118.1° |
N1 | C5 | C4 | 106.1° | 108.3° |
N1 | C5 | H5 | 110.6° | 109.7° |
N1 | C5 | H5A | 111.3° | 109.7° |
N1 | C2 | C3 | 104.2° | 108.6° |
N1 | C2 | H2 | 111.2° | 109.7° |
N1 | C2 | H2A | 112.4° | 109.7° |
C5 | C4 | O2 | 110.7° | 109.2° |
C4 | C5 | H5 | 110.6° | 109.7° |
C4 | C5 | H5A | 111.3° | 109.7° |
C5 | C4 | H4 | 109.0° | 109.5° |
C5 | C4 | H4A | 108.8° | 109.5° |
C4 | O2 | C3 | 113.2° | 114.2° |
O2 | C4 | H4 | 109.1° | 109.5° |
O2 | C4 | H4A | 108.8° | 109.5° |
O2 | C3 | C2 | 107.7° | 109.3° |
O2 | C3 | H3 | 110.1° | 109.5° |
O2 | C3 | H3A | 110.4° | 109.5° |
C2 | C3 | H3 | 110.1° | 109.6° |
C2 | C3 | H3A | 110.4° | 109.4° |
C3 | C2 | H2 | 111.3° | 109.6° |
C3 | C2 | H2A | 112.4° | 109.6° |
H20 | C20 | H20A | 109.8° | 109.5° |
H5 | C5 | H5A | 106.9° | 109.7° |
H4 | C4 | H4A | 110.4° | 109.5° |
H3 | C3 | H3A | 108.1° | 109.6° |
H2 | C2 | H2A | 105.5° | 109.7° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
F6 | C12 | F4 | F5 | 113.3° | 120.1° |
F6 | C12 | F4 | C11 | 122.5° | 120.0° |
F6 | C12 | F5 | C11 | 117.6° | 120.0° |
F6 | C12 | C11 | C9 | 34.3° | 82.9° |
F6 | C12 | C11 | C13 | 142.3° | 97.4° |
F4 | C12 | F5 | C11 | 125.3° | 119.9° |
F4 | C12 | C11 | C9 | 88.8° | 37.1° |
F4 | C12 | C11 | C13 | 94.5° | 142.6° |
F5 | C12 | C11 | C9 | 149.1° | 157.1° |
F5 | C12 | C11 | C13 | 27.6° | 22.7° |
C12 | C11 | C9 | C13 | 176.7° | 179.7° |
C12 | C11 | C9 | C10 | 5.7° | 0.0° |
C12 | C11 | C9 | C8 | 178.7° | 180.0° |
C12 | C11 | C13 | S | 3.6° | 0.1° |
C12 | C11 | C13 | C26 | 177.9° | 180.0° |
C11 | C9 | C10 | C8 | 175.7° | 180.0° |
C11 | C9 | C10 | F3 | 85.3° | 87.0° |
C11 | C9 | C10 | F2 | 37.6° | 153.1° |
C11 | C9 | C10 | F1 | 149.4° | 33.1° |
C9 | C11 | C13 | S | 179.6° | 179.7° |
C9 | C11 | C13 | C26 | 1.2° | 0.3° |
C11 | C9 | C8 | C27 | 2.1° | 0.1° |
C11 | C9 | C8 | C7 | 179.8° | 180.0° |
C13 | C11 | C9 | C10 | 177.7° | 179.7° |
C13 | C11 | C9 | C8 | 2.0° | 0.3° |
C11 | C13 | S | C26 | 178.5° | 179.9° |
C11 | C13 | S | C14 | 172.0° | 174.2° |
C11 | C13 | C26 | C27 | 0.4° | 0.0° |
C11 | C13 | C26 | H26 | 179.6° | 180.0° |
C9 | C10 | F3 | F2 | 121.6° | 120.0° |
C9 | C10 | F3 | F1 | 126.0° | 120.1° |
C9 | C10 | F2 | F1 | 117.4° | 120.1° |
C10 | C9 | C8 | C27 | 177.9° | 180.0° |
C10 | C9 | C8 | C7 | 4.5° | 0.0° |
C8 | C9 | C10 | F3 | 99.0° | 93.1° |
C8 | C9 | C10 | F2 | 138.1° | 26.9° |
C8 | C9 | C10 | F1 | 26.3° | 146.9° |
C9 | C8 | C27 | C26 | 1.3° | 0.2° |
C9 | C8 | C27 | C7 | 177.7° | 180.0° |
C9 | C8 | C7 | C6 | 156.9° | 163.0° |
C9 | C8 | C27 | H27 | 178.7° | 180.0° |
C9 | C8 | C7 | H7 | 23.0° | 17.0° |
F3 | C10 | F2 | F1 | 116.7° | 120.0° |
C13 | S | C14 | C19 | 71.1° | 78.7° |
C13 | S | C14 | C15 | 108.1° | 101.6° |
S | C13 | C26 | C27 | 179.0° | 180.0° |
S | C13 | C26 | H26 | 1.1° | 0.1° |
C26 | C13 | S | C14 | 6.6° | 5.7° |
C13 | C26 | C27 | H26 | 180.0° | 179.9° |
C13 | C26 | C27 | C8 | 0.5° | 0.2° |
C13 | C26 | C27 | H27 | 179.5° | 180.0° |
S | C14 | C19 | C15 | 179.2° | 179.7° |
S | C14 | C19 | O3 | 0.5° | 0.0° |
S | C14 | C19 | C18 | 179.5° | 180.0° |
S | C14 | C15 | C16 | 179.3° | 179.7° |
S | C14 | C15 | H15 | 0.7° | 0.1° |
C14 | C19 | O3 | C18 | 180.0° | 180.0° |
C14 | C19 | O3 | C20 | 163.4° | 180.0° |
C14 | C19 | C18 | C17 | 0.4° | 0.0° |
C19 | C14 | C15 | C16 | 0.1° | 0.6° |
C14 | C19 | C18 | H18 | 179.6° | 180.0° |
C19 | C14 | C15 | H15 | 179.9° | 179.7° |
C15 | C14 | C19 | O3 | 179.7° | 179.7° |
C15 | C14 | C19 | C18 | 0.3° | 0.3° |
C14 | C15 | C16 | C17 | 0.0° | 0.6° |
C14 | C15 | C16 | H15 | 180.0° | 179.6° |
C14 | C15 | C16 | H16 | 180.0° | 179.7° |
C19 | O3 | C20 | C21 | 93.1° | 180.0° |
O3 | C19 | C18 | C17 | 179.6° | 180.0° |
C19 | O3 | C20 | H20 | 146.9° | 60.0° |
C19 | O3 | C20 | H20A | 26.7° | 60.0° |
O3 | C19 | C18 | H18 | 0.4° | 0.0° |
C18 | C19 | O3 | C20 | 16.6° | 0.0° |
C19 | C18 | C17 | H18 | 180.0° | 179.9° |
C19 | C18 | C17 | C16 | 0.3° | 0.1° |
C19 | C18 | C17 | H17 | 179.7° | 180.0° |
O3 | C20 | C21 | H20 | 120.0° | 120.0° |
O3 | C20 | C21 | H20A | 119.8° | 120.0° |
O3 | C20 | C21 | C25 | 25.0° | 90.0° |
O3 | C20 | C21 | C22 | 155.1° | 90.3° |
O3 | C20 | H20 | H20A | 119.8° | 120.0° |
C20 | C21 | C25 | C22 | 179.8° | 179.7° |
C20 | C21 | C25 | C24 | 180.0° | 179.9° |
C20 | C21 | C22 | N2 | 179.9° | 179.7° |
C21 | C20 | H20 | H20A | 119.8° | 120.0° |
C20 | C21 | C25 | H25 | 0.0° | 0.0° |
C20 | C21 | C22 | H22 | 0.1° | 0.0° |
C21 | C25 | C24 | H25 | 180.0° | 179.9° |
C21 | C25 | C24 | C23 | 0.2° | 0.0° |
C25 | C21 | C22 | N2 | 0.1° | 0.5° |
C25 | C21 | C20 | H20 | 94.9° | 30.0° |
C25 | C21 | C20 | H20A | 144.8° | 150.0° |
C21 | C25 | C24 | H24 | 179.8° | 180.0° |
C25 | C21 | C22 | H22 | 179.9° | 179.8° |
C22 | C21 | C25 | C24 | 0.2° | 0.2° |
C21 | C22 | N2 | C23 | 0.0° | 0.6° |
C21 | C22 | N2 | H22 | 180.0° | 179.7° |
C22 | C21 | C20 | H20 | 84.9° | 149.7° |
C22 | C21 | C20 | H20A | 35.3° | 29.7° |
C22 | C21 | C25 | H25 | 179.8° | 179.7° |
C25 | C24 | C23 | H24 | 180.0° | 180.0° |
C25 | C24 | C23 | N2 | 0.1° | 0.0° |
C25 | C24 | C23 | H23 | 179.9° | 180.0° |
C24 | C23 | N2 | H23 | 180.0° | 179.9° |
C24 | C23 | N2 | C22 | 0.0° | 0.4° |
C23 | C24 | C25 | H25 | 179.8° | 180.0° |
N2 | C23 | C24 | H24 | 179.8° | 179.9° |
C23 | N2 | C22 | H22 | 180.0° | 179.7° |
C22 | N2 | C23 | H23 | 180.0° | 179.7° |
C18 | C17 | C16 | H17 | 180.0° | 180.0° |
C18 | C17 | C16 | C15 | 0.1° | 0.3° |
C18 | C17 | C16 | H16 | 179.9° | 180.0° |
C17 | C16 | C15 | H16 | 180.0° | 179.7° |
C16 | C17 | C18 | H18 | 179.7° | 180.0° |
C17 | C16 | C15 | H15 | 180.0° | 179.7° |
C15 | C16 | C17 | H17 | 179.9° | 179.7° |
C26 | C27 | C8 | H27 | 180.0° | 179.8° |
C26 | C27 | C8 | C7 | 179.0° | 179.8° |
C27 | C8 | C7 | C6 | 20.7° | 17.1° |
C8 | C27 | C26 | H26 | 179.5° | 179.8° |
C27 | C8 | C7 | H7 | 159.3° | 162.9° |
C8 | C7 | C6 | H7 | 180.0° | 180.0° |
C8 | C7 | C6 | C1 | 177.4° | 180.0° |
C7 | C8 | C27 | H27 | 1.0° | 0.0° |
C8 | C7 | C6 | H6 | 2.6° | 0.0° |
C7 | C6 | C1 | H6 | 180.0° | 180.0° |
C7 | C6 | C1 | O1 | 27.8° | 5.3° |
C7 | C6 | C1 | N1 | 154.2° | 174.7° |
C6 | C1 | O1 | N1 | 178.0° | 180.0° |
C6 | C1 | N1 | C5 | 2.2° | 5.2° |
C6 | C1 | N1 | C2 | 178.0° | 175.1° |
C1 | C6 | C7 | H7 | 2.6° | 0.0° |
O1 | C1 | N1 | C5 | 175.8° | 174.8° |
O1 | C1 | N1 | C2 | 4.1° | 4.9° |
O1 | C1 | C6 | H6 | 152.2° | 174.7° |
C1 | N1 | C5 | C2 | 179.9° | 179.8° |
C1 | N1 | C5 | C4 | 121.3° | 129.5° |
C1 | N1 | C2 | C3 | 115.9° | 129.5° |
N1 | C1 | C6 | H6 | 25.8° | 5.3° |
C1 | N1 | C5 | H5 | 118.7° | 110.8° |
C1 | N1 | C5 | H5A | 0.0° | 9.8° |
C1 | N1 | C2 | H2 | 4.1° | 9.7° |
C1 | N1 | C2 | H2A | 122.1° | 110.8° |
N1 | C5 | C4 | H5 | 120.0° | 119.7° |
N1 | C5 | C4 | H5A | 121.3° | 119.7° |
N1 | C5 | C4 | O2 | 51.7° | 52.3° |
C5 | N1 | C2 | C3 | 64.0° | 50.3° |
N1 | C5 | H5 | H5A | 121.3° | 120.6° |
N1 | C5 | C4 | H4 | 171.6° | 172.2° |
N1 | C5 | C4 | H4A | 67.9° | 67.6° |
C5 | N1 | C2 | H2 | 176.0° | 170.0° |
C5 | N1 | C2 | H2A | 58.0° | 69.4° |
C2 | N1 | C5 | C4 | 58.6° | 50.3° |
N1 | C2 | C3 | O2 | 62.1° | 52.1° |
N1 | C2 | C3 | H2 | 120.0° | 119.8° |
N1 | C2 | C3 | H2A | 122.0° | 119.8° |
C2 | N1 | C5 | H5 | 61.4° | 69.4° |
C2 | N1 | C5 | H5A | 179.9° | 170.0° |
N1 | C2 | C3 | H3 | 177.9° | 172.0° |
N1 | C2 | C3 | H3A | 58.6° | 67.8° |
N1 | C2 | H2 | H2A | 122.2° | 120.5° |
C5 | C4 | O2 | H4 | 120.0° | 119.9° |
C5 | C4 | O2 | H4A | 119.5° | 120.0° |
C5 | C4 | O2 | C3 | 58.6° | 62.6° |
C4 | C5 | H5 | H5A | 121.4° | 120.5° |
C5 | C4 | H4 | H4A | 119.5° | 120.1° |
C4 | O2 | C3 | C2 | 63.8° | 62.5° |
O2 | C4 | C5 | H5 | 68.3° | 67.4° |
O2 | C4 | C5 | H5A | 172.9° | 172.0° |
O2 | C4 | H4 | H4A | 119.5° | 120.1° |
C4 | O2 | C3 | H3 | 176.2° | 177.5° |
C4 | O2 | C3 | H3A | 56.9° | 57.3° |
O2 | C3 | C2 | H3 | 120.0° | 120.0° |
O2 | C3 | C2 | H3A | 120.7° | 119.9° |
C3 | O2 | C4 | H4 | 178.6° | 177.5° |
C3 | O2 | C4 | H4A | 60.9° | 57.3° |
O2 | C3 | H3 | H3A | 120.7° | 120.1° |
O2 | C3 | C2 | H2 | 177.9° | 171.9° |
O2 | C3 | C2 | H2A | 59.9° | 67.7° |
C2 | C3 | H3 | H3A | 120.7° | 120.0° |
C3 | C2 | H2 | H2A | 122.1° | 120.3° |
H25 | C25 | C24 | H24 | 0.2° | 0.1° |
H24 | C24 | C23 | H23 | 0.1° | 0.0° |
H18 | C18 | C17 | H17 | 0.3° | 0.1° |
H17 | C17 | C16 | H16 | 0.1° | 0.0° |
H16 | C16 | C15 | H15 | 0.1° | 0.1° |
H26 | C26 | C27 | H27 | 0.4° | 0.1° |
H7 | C7 | C6 | H6 | 177.4° | 180.0° |
H5 | C5 | C4 | H4 | 51.6° | 52.5° |
H5 | C5 | C4 | H4A | 172.1° | 172.7° |
H5A | C5 | C4 | H4 | 67.1° | 68.1° |
H5A | C5 | C4 | H4A | 53.4° | 52.1° |
H3 | C3 | C2 | H2 | 57.9° | 68.1° |
H3 | C3 | C2 | H2A | 60.2° | 52.3° |
H3A | C3 | C2 | H2 | 61.4° | 52.0° |
H3A | C3 | C2 | H2A | 179.4° | 172.4° |