ZWA
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
F24 | C22 | sing | 1.40Å | 1.36Å | |
F37 | C36 | sing | 1.40Å | 1.35Å | |
F25 | C22 | sing | 1.40Å | 1.36Å | |
C28 | C29 | doub | 1.38Å | 1.39Å | Aromatic |
C28 | C27 | sing | 1.38Å | 1.40Å | Aromatic |
C29 | C30 | sing | 1.39Å | 1.40Å | Aromatic |
C22 | C19 | sing | 1.51Å | 1.49Å | |
C22 | F23 | sing | 1.40Å | 1.36Å | |
C40 | N32 | sing | 1.48Å | 1.42Å | |
C40 | C34 | sing | 1.54Å | 1.54Å | |
C20 | C19 | doub | 1.38Å | 1.39Å | Aromatic |
C20 | C21 | sing | 1.38Å | 1.40Å | Aromatic |
C36 | F39 | sing | 1.40Å | 1.35Å | |
C36 | F38 | sing | 1.40Å | 1.36Å | |
C36 | C35 | sing | 1.53Å | 1.49Å | |
C19 | C18 | sing | 1.38Å | 1.39Å | Aromatic |
C27 | C26 | doub | 1.38Å | 1.40Å | Aromatic |
C21 | C16 | doub | 1.39Å | 1.40Å | Aromatic |
C30 | N32 | sing | 1.40Å | 1.40Å | |
C30 | C31 | doub | 1.39Å | 1.40Å | Aromatic |
N32 | C33 | sing | 1.48Å | 1.43Å | |
C34 | C35 | sing | 1.53Å | 1.50Å | |
C34 | C33 | sing | 1.54Å | 1.54Å | |
C18 | C17 | doub | 1.38Å | 1.39Å | Aromatic |
C16 | C17 | sing | 1.39Å | 1.40Å | Aromatic |
C16 | C15 | sing | 1.48Å | 1.45Å | |
C26 | C31 | sing | 1.38Å | 1.40Å | Aromatic |
C26 | C6 | sing | 1.51Å | 1.51Å | |
C14 | C15 | doub | 1.39Å | 1.40Å | Aromatic |
C14 | C13 | sing | 1.38Å | 1.40Å | Aromatic |
C15 | C10 | sing | 1.41Å | 1.40Å | Aromatic |
C13 | C12 | doub | 1.38Å | 1.40Å | Aromatic |
C10 | C8 | sing | 1.48Å | 1.46Å | |
C10 | C11 | doub | 1.39Å | 1.39Å | Aromatic |
N7 | C6 | sing | 1.47Å | 1.47Å | |
N7 | C8 | sing | 1.35Å | 1.37Å | |
C12 | C11 | sing | 1.38Å | 1.40Å | Aromatic |
C6 | C4 | sing | 1.51Å | 1.47Å | |
C8 | O9 | doub | 1.22Å | 1.22Å | |
O5 | C4 | doub | 1.21Å | 1.22Å | |
C4 | N2 | sing | 1.35Å | 1.36Å | |
N2 | C1 | sing | 1.47Å | 1.42Å | |
N2 | C3 | sing | 1.47Å | 1.42Å | |
C1 | H1 | sing | 1.09Å | 1.10Å | |
C1 | H2 | sing | 1.09Å | 1.10Å | |
C1 | H3 | sing | 1.09Å | 1.10Å | |
C11 | H4 | sing | 1.08Å | 1.08Å | |
C12 | H5 | sing | 1.08Å | 1.08Å | |
C13 | H6 | sing | 1.08Å | 1.08Å | |
C14 | H7 | sing | 1.08Å | 1.08Å | |
C17 | H8 | sing | 1.08Å | 1.08Å | |
C18 | H9 | sing | 1.08Å | 1.08Å | |
C20 | H10 | sing | 1.08Å | 1.08Å | |
C21 | H11 | sing | 1.08Å | 1.08Å | |
C27 | H12 | sing | 1.08Å | 1.08Å | |
C28 | H13 | sing | 1.08Å | 1.08Å | |
C29 | H14 | sing | 1.08Å | 1.08Å | |
C3 | H15 | sing | 1.09Å | 1.10Å | |
C3 | H16 | sing | 1.09Å | 1.10Å | |
C3 | H17 | sing | 1.09Å | 1.10Å | |
C31 | H18 | sing | 1.08Å | 1.08Å | |
C33 | H19 | sing | 1.09Å | 1.10Å | |
C33 | H20 | sing | 1.09Å | 1.10Å | |
C34 | H21 | sing | 1.09Å | 1.10Å | |
C35 | H22 | sing | 1.09Å | 1.10Å | |
C35 | H23 | sing | 1.09Å | 1.10Å | |
C40 | H24 | sing | 1.09Å | 1.10Å | |
C40 | H25 | sing | 1.09Å | 1.10Å | |
C6 | H26 | sing | 1.09Å | 1.10Å | |
N7 | H27 | sing | 0.97Å | 1.00Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
F24 | C22 | F25 | 106.1° | 109.5° |
F24 | C22 | C19 | 112.4° | 109.5° |
F24 | C22 | F23 | 104.7° | 109.5° |
F37 | C36 | F39 | 108.8° | 109.4° |
F37 | C36 | F38 | 107.2° | 109.5° |
F37 | C36 | C35 | 110.6° | 109.5° |
F25 | C22 | C19 | 113.2° | 109.5° |
F25 | C22 | F23 | 107.4° | 109.4° |
C29 | C28 | C27 | 119.5° | 120.1° |
C28 | C29 | C30 | 119.2° | 120.0° |
C29 | C28 | H13 | 120.2° | 120.0° |
C28 | C29 | H14 | 120.4° | 120.0° |
C28 | C27 | C26 | 121.4° | 120.1° |
C28 | C27 | H12 | 119.3° | 119.9° |
C27 | C28 | H13 | 120.2° | 120.0° |
C29 | C30 | N32 | 120.4° | 120.1° |
C29 | C30 | C31 | 121.1° | 119.8° |
C30 | C29 | H14 | 120.4° | 120.0° |
C19 | C22 | F23 | 112.3° | 109.5° |
C22 | C19 | C20 | 121.5° | 119.9° |
C22 | C19 | C18 | 119.3° | 119.8° |
N32 | C40 | C34 | 88.3° | 86.2° |
C40 | N32 | C30 | 132.1° | 111.0° |
C40 | N32 | C33 | 96.5° | 90.6° |
N32 | C40 | H24 | 114.5° | 113.8° |
N32 | C40 | H25 | 114.5° | 113.7° |
C40 | C34 | C35 | 119.6° | 113.7° |
C40 | C34 | C33 | 87.1° | 86.3° |
C40 | C34 | H21 | 113.1° | 113.8° |
C34 | C40 | H24 | 114.5° | 113.8° |
C34 | C40 | H25 | 114.5° | 113.8° |
C19 | C20 | C21 | 119.8° | 120.1° |
C20 | C19 | C18 | 119.2° | 120.3° |
C19 | C20 | H10 | 120.1° | 119.9° |
C20 | C21 | C16 | 120.7° | 119.9° |
C21 | C20 | H10 | 120.1° | 119.9° |
C20 | C21 | H11 | 119.6° | 120.1° |
F39 | C36 | F38 | 110.1° | 109.4° |
F39 | C36 | C35 | 110.2° | 109.5° |
F38 | C36 | C35 | 110.0° | 109.5° |
C36 | C35 | C34 | 110.4° | 109.5° |
C36 | C35 | H22 | 109.2° | 109.5° |
C36 | C35 | H23 | 109.2° | 109.5° |
C19 | C18 | C17 | 121.4° | 120.1° |
C19 | C18 | H9 | 119.3° | 120.0° |
C27 | C26 | C31 | 118.6° | 120.1° |
C27 | C26 | C6 | 120.3° | 120.0° |
C26 | C27 | H12 | 119.3° | 119.9° |
C21 | C16 | C17 | 119.5° | 119.7° |
C21 | C16 | C15 | 120.5° | 120.2° |
C16 | C21 | H11 | 119.6° | 120.0° |
N32 | C30 | C31 | 118.5° | 120.1° |
C30 | N32 | C33 | 131.4° | 111.0° |
C30 | C31 | C26 | 120.0° | 119.9° |
C30 | C31 | H18 | 120.0° | 120.0° |
N32 | C33 | C34 | 88.1° | 86.3° |
N32 | C33 | H19 | 114.5° | 113.8° |
N32 | C33 | H20 | 114.5° | 113.8° |
C35 | C34 | C33 | 106.9° | 113.7° |
C35 | C34 | H21 | 113.7° | 113.0° |
C34 | C35 | H22 | 109.3° | 109.5° |
C34 | C35 | H23 | 109.2° | 109.5° |
C34 | C33 | H19 | 114.5° | 113.7° |
C34 | C33 | H20 | 114.5° | 113.7° |
C33 | C34 | H21 | 113.0° | 113.7° |
C18 | C17 | C16 | 119.3° | 119.9° |
C18 | C17 | H8 | 120.3° | 120.0° |
C17 | C18 | H9 | 119.3° | 120.0° |
C17 | C16 | C15 | 120.0° | 120.1° |
C16 | C17 | H8 | 120.4° | 120.1° |
C16 | C15 | C14 | 116.5° | 120.2° |
C16 | C15 | C10 | 124.9° | 120.2° |
C31 | C26 | C6 | 121.1° | 119.9° |
C26 | C31 | H18 | 120.0° | 120.0° |
C26 | C6 | N7 | 103.7° | 109.5° |
C26 | C6 | C4 | 115.6° | 109.5° |
C26 | C6 | H26 | 110.2° | 109.5° |
C15 | C14 | C13 | 120.6° | 120.0° |
C14 | C15 | C10 | 118.6° | 119.5° |
C15 | C14 | H7 | 119.7° | 120.0° |
C14 | C13 | C12 | 119.9° | 120.4° |
C14 | C13 | H6 | 120.1° | 119.8° |
C13 | C14 | H7 | 119.7° | 120.0° |
C15 | C10 | C8 | 119.4° | 120.2° |
C15 | C10 | C11 | 121.4° | 119.6° |
C13 | C12 | C11 | 120.0° | 120.4° |
C13 | C12 | H5 | 120.0° | 119.8° |
C12 | C13 | H6 | 120.0° | 119.8° |
C8 | C10 | C11 | 119.2° | 120.2° |
C10 | C8 | N7 | 118.3° | 120.0° |
C10 | C8 | O9 | 116.1° | 120.0° |
C10 | C11 | C12 | 119.5° | 119.9° |
C10 | C11 | H4 | 120.3° | 120.0° |
C6 | N7 | C8 | 123.3° | 120.0° |
N7 | C6 | C4 | 105.5° | 109.5° |
N7 | C6 | H26 | 110.8° | 109.5° |
C6 | N7 | H27 | 118.4° | 120.0° |
N7 | C8 | O9 | 125.6° | 120.0° |
C8 | N7 | H27 | 118.4° | 120.0° |
C12 | C11 | H4 | 120.3° | 120.0° |
C11 | C12 | H5 | 120.0° | 119.8° |
C6 | C4 | O5 | 121.8° | 120.0° |
C6 | C4 | N2 | 113.1° | 120.0° |
C4 | C6 | H26 | 110.7° | 109.5° |
O5 | C4 | N2 | 125.0° | 120.0° |
C4 | N2 | C1 | 125.0° | 120.0° |
C4 | N2 | C3 | 118.7° | 120.0° |
C1 | N2 | C3 | 116.3° | 120.0° |
N2 | C1 | H1 | 109.5° | 109.5° |
N2 | C1 | H2 | 109.4° | 109.5° |
N2 | C1 | H3 | 109.5° | 109.5° |
N2 | C3 | H15 | 109.5° | 109.5° |
N2 | C3 | H16 | 109.5° | 109.5° |
N2 | C3 | H17 | 109.5° | 109.4° |
H1 | C1 | H2 | 109.4° | 109.4° |
H1 | C1 | H3 | 109.5° | 109.5° |
H2 | C1 | H3 | 109.5° | 109.4° |
H15 | C3 | H16 | 109.5° | 109.5° |
H15 | C3 | H17 | 109.5° | 109.4° |
H16 | C3 | H17 | 109.5° | 109.5° |
H19 | C33 | H20 | 109.5° | 113.0° |
H22 | C35 | H23 | 109.5° | 109.5° |
H24 | C40 | H25 | 109.5° | 113.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
F24 | C22 | F25 | C19 | 123.8° | 120.1° |
F24 | C22 | F25 | F23 | 111.6° | 120.0° |
F24 | C22 | C19 | F23 | 117.8° | 120.0° |
F24 | C22 | C19 | C20 | 109.3° | 30.0° |
F24 | C22 | C19 | C18 | 70.6° | 150.0° |
F37 | C36 | F39 | F38 | 117.2° | 120.0° |
F37 | C36 | F39 | C35 | 121.4° | 120.0° |
F37 | C36 | F38 | C35 | 120.2° | 120.1° |
F37 | C36 | C35 | C34 | 65.9° | 179.9° |
F37 | C36 | C35 | H22 | 54.3° | 60.0° |
F37 | C36 | C35 | H23 | 174.0° | 60.1° |
F25 | C22 | C19 | F23 | 121.9° | 120.0° |
F25 | C22 | C19 | C20 | 11.0° | 150.0° |
F25 | C22 | C19 | C18 | 169.1° | 30.0° |
C29 | C28 | C27 | H13 | 180.0° | 180.0° |
C28 | C29 | C30 | H14 | 180.0° | 179.9° |
C29 | C28 | C27 | C26 | 2.1° | 0.0° |
C28 | C29 | C30 | N32 | 178.2° | 180.0° |
C28 | C29 | C30 | C31 | 0.7° | 0.0° |
C29 | C28 | C27 | H12 | 177.9° | 180.0° |
C27 | C28 | C29 | C30 | 2.3° | 0.0° |
C28 | C27 | C26 | H12 | 180.0° | 180.0° |
C28 | C27 | C26 | C31 | 0.2° | 0.0° |
C28 | C27 | C26 | C6 | 177.9° | 179.7° |
C27 | C28 | C29 | H14 | 177.7° | 179.9° |
C29 | C30 | N32 | C40 | 3.6° | 33.9° |
C29 | C30 | N32 | C31 | 178.9° | 179.9° |
C29 | C30 | N32 | C33 | 179.1° | 133.1° |
C29 | C30 | C31 | C26 | 1.2° | 0.0° |
C30 | C29 | C28 | H13 | 177.7° | 179.9° |
C29 | C30 | C31 | H18 | 178.8° | 179.7° |
C22 | C19 | C20 | C18 | 179.9° | 180.0° |
C22 | C19 | C20 | C21 | 180.0° | 179.8° |
C22 | C19 | C18 | C17 | 179.7° | 179.9° |
C22 | C19 | C18 | H9 | 0.3° | 0.0° |
C22 | C19 | C20 | H10 | 0.1° | 0.1° |
F23 | C22 | C19 | C20 | 132.9° | 90.0° |
F23 | C22 | C19 | C18 | 47.2° | 90.0° |
N32 | C40 | C34 | H24 | 116.2° | 114.4° |
N32 | C40 | C34 | H25 | 116.2° | 114.3° |
C40 | N32 | C30 | C33 | 177.2° | 99.2° |
C40 | N32 | C30 | C31 | 177.5° | 146.2° |
N32 | C40 | C34 | C35 | 107.4° | 138.0° |
N32 | C40 | C34 | C33 | 0.4° | 23.7° |
C40 | N32 | C33 | H19 | 115.7° | 89.7° |
C40 | N32 | C33 | H20 | 116.7° | 139.0° |
N32 | C40 | C34 | H21 | 114.3° | 90.6° |
N32 | C40 | H24 | H25 | 130.0° | 131.7° |
C40 | C34 | C35 | C36 | 85.9° | 88.3° |
C34 | C40 | N32 | C30 | 177.4° | 137.6° |
C40 | C34 | C35 | C33 | 96.5° | 96.7° |
C40 | C34 | C35 | H21 | 138.0° | 131.7° |
C40 | C34 | C33 | H21 | 114.0° | 114.4° |
C40 | C34 | C33 | H19 | 115.7° | 90.6° |
C40 | C34 | C33 | H20 | 116.6° | 138.2° |
C40 | C34 | C35 | H22 | 34.2° | 151.7° |
C40 | C34 | C35 | H23 | 154.0° | 31.7° |
C34 | C40 | H24 | H25 | 130.1° | 131.7° |
C19 | C20 | C21 | H10 | 180.0° | 179.7° |
C19 | C20 | C21 | C16 | 0.0° | 0.6° |
C20 | C19 | C18 | C17 | 0.2° | 0.0° |
C20 | C19 | C18 | H9 | 179.8° | 180.0° |
C19 | C20 | C21 | H11 | 180.0° | 180.0° |
C21 | C20 | C19 | C18 | 0.1° | 0.3° |
C20 | C21 | C16 | H11 | 180.0° | 179.5° |
C20 | C21 | C16 | C17 | 0.3° | 0.6° |
C20 | C21 | C16 | C15 | 178.4° | 179.7° |
F39 | C36 | F38 | C35 | 121.6° | 120.0° |
F39 | C36 | C35 | C34 | 54.4° | 60.0° |
F39 | C36 | C35 | H22 | 174.6° | 60.0° |
F39 | C36 | C35 | H23 | 65.7° | 180.0° |
F38 | C36 | C35 | C34 | 176.0° | 60.0° |
F38 | C36 | C35 | H22 | 63.9° | 180.0° |
F38 | C36 | C35 | H23 | 55.8° | 60.0° |
C36 | C35 | C34 | H22 | 120.1° | 120.0° |
C36 | C35 | C34 | H23 | 120.1° | 120.0° |
C36 | C35 | C34 | C33 | 177.6° | 175.0° |
C36 | C35 | C34 | H21 | 52.1° | 43.4° |
C36 | C35 | H22 | H23 | 119.5° | 120.0° |
C19 | C18 | C17 | H9 | 180.0° | 180.0° |
C19 | C18 | C17 | C16 | 0.6° | 0.1° |
C19 | C18 | C17 | H8 | 179.4° | 180.0° |
C18 | C19 | C20 | H10 | 179.9° | 180.0° |
C27 | C26 | C31 | C30 | 1.4° | 0.0° |
C27 | C26 | C31 | C6 | 177.7° | 179.8° |
C27 | C26 | C6 | N7 | 61.8° | 48.5° |
C27 | C26 | C6 | C4 | 53.1° | 71.5° |
C26 | C27 | C28 | H13 | 177.9° | 180.0° |
C27 | C26 | C31 | H18 | 178.6° | 179.7° |
C27 | C26 | C6 | H26 | 179.6° | 168.5° |
C21 | C16 | C17 | C18 | 0.6° | 0.2° |
C21 | C16 | C17 | C15 | 178.0° | 179.7° |
C21 | C16 | C15 | C14 | 125.9° | 59.2° |
C21 | C16 | C15 | C10 | 51.7° | 121.3° |
C21 | C16 | C17 | H8 | 179.4° | 179.7° |
C16 | C21 | C20 | H10 | 179.9° | 179.7° |
C30 | N32 | C33 | C34 | 177.5° | 137.5° |
N32 | C30 | C31 | C26 | 180.0° | 180.0° |
N32 | C30 | C29 | H14 | 1.9° | 0.1° |
N32 | C30 | C31 | H18 | 0.0° | 0.3° |
C30 | N32 | C33 | H19 | 66.4° | 23.2° |
C30 | N32 | C33 | H20 | 61.3° | 108.1° |
C30 | N32 | C40 | H24 | 61.2° | 108.1° |
C30 | N32 | C40 | H25 | 66.3° | 23.2° |
C31 | C30 | N32 | C33 | 0.3° | 46.9° |
C30 | C31 | C26 | H18 | 180.0° | 179.7° |
C30 | C31 | C26 | C6 | 176.3° | 179.7° |
C31 | C30 | C29 | H14 | 179.3° | 179.9° |
N32 | C33 | C34 | C35 | 119.6° | 138.1° |
N32 | C33 | C34 | H19 | 116.2° | 114.4° |
N32 | C33 | C34 | H20 | 116.2° | 114.4° |
N32 | C33 | H19 | H20 | 130.2° | 131.7° |
N32 | C33 | C34 | H21 | 114.4° | 90.7° |
C33 | N32 | C40 | H24 | 116.7° | 139.0° |
C33 | N32 | C40 | H25 | 115.8° | 89.6° |
C35 | C34 | C33 | H21 | 125.9° | 131.2° |
C35 | C34 | C33 | H19 | 124.2° | 23.7° |
C35 | C34 | C33 | H20 | 3.5° | 107.5° |
C34 | C35 | H22 | H23 | 119.6° | 120.0° |
C35 | C34 | C40 | H24 | 8.8° | 107.6° |
C35 | C34 | C40 | H25 | 136.3° | 23.8° |
C34 | C33 | H19 | H20 | 130.2° | 131.5° |
C33 | C34 | C35 | H22 | 62.3° | 55.1° |
C33 | C34 | C35 | H23 | 57.5° | 65.0° |
C33 | C34 | C40 | H24 | 116.7° | 138.1° |
C33 | C34 | C40 | H25 | 115.8° | 90.6° |
C18 | C17 | C16 | H8 | 180.0° | 180.0° |
C18 | C17 | C16 | C15 | 178.7° | 180.0° |
C17 | C16 | C15 | C14 | 52.1° | 120.5° |
C17 | C16 | C15 | C10 | 130.3° | 59.0° |
C16 | C17 | C18 | H9 | 179.4° | 180.0° |
C17 | C16 | C21 | H11 | 179.6° | 180.0° |
C16 | C15 | C14 | C10 | 177.7° | 179.5° |
C16 | C15 | C14 | C13 | 177.0° | 180.0° |
C16 | C15 | C10 | C8 | 4.9° | 0.2° |
C16 | C15 | C10 | C11 | 176.2° | 180.0° |
C16 | C15 | C14 | H7 | 3.0° | 0.5° |
C15 | C16 | C17 | H8 | 1.3° | 0.0° |
C15 | C16 | C21 | H11 | 1.6° | 0.3° |
C31 | C26 | C6 | N7 | 115.8° | 131.7° |
C31 | C26 | C6 | C4 | 129.2° | 108.3° |
C31 | C26 | C27 | H12 | 179.8° | 180.0° |
C31 | C26 | C6 | H26 | 2.8° | 11.7° |
C26 | C6 | N7 | C4 | 122.0° | 120.0° |
C26 | C6 | N7 | H26 | 118.2° | 120.0° |
C26 | C6 | N7 | C8 | 79.5° | 155.0° |
C26 | C6 | C4 | H26 | 126.1° | 120.0° |
C26 | C6 | C4 | O5 | 107.8° | 88.1° |
C26 | C6 | C4 | N2 | 75.6° | 91.9° |
C6 | C26 | C27 | H12 | 2.1° | 0.2° |
C6 | C26 | C31 | H18 | 3.7° | 0.1° |
C26 | C6 | N7 | H27 | 100.6° | 25.0° |
C15 | C14 | C13 | H7 | 180.0° | 179.6° |
C15 | C14 | C13 | C12 | 0.8° | 0.2° |
C14 | C15 | C10 | C8 | 177.6° | 179.7° |
C14 | C15 | C10 | C11 | 1.3° | 0.5° |
C15 | C14 | C13 | H6 | 179.2° | 179.8° |
C13 | C14 | C15 | C10 | 0.8° | 0.5° |
C14 | C13 | C12 | H6 | 180.0° | 179.9° |
C14 | C13 | C12 | C11 | 1.8° | 0.1° |
C14 | C13 | C12 | H5 | 178.2° | 180.0° |
C15 | C10 | C8 | C11 | 178.9° | 179.7° |
C15 | C10 | C8 | N7 | 134.4° | 174.2° |
C15 | C10 | C11 | C12 | 0.3° | 0.3° |
C15 | C10 | C8 | O9 | 46.6° | 5.8° |
C15 | C10 | C11 | H4 | 179.7° | 179.7° |
C10 | C15 | C14 | H7 | 179.2° | 180.0° |
C13 | C12 | C11 | C10 | 1.2° | 0.0° |
C13 | C12 | C11 | H5 | 180.0° | 179.9° |
C13 | C12 | C11 | H4 | 178.7° | 180.0° |
C12 | C13 | C14 | H7 | 179.2° | 179.7° |
C10 | C8 | N7 | C6 | 176.8° | 180.0° |
C10 | C8 | N7 | O9 | 178.8° | 180.0° |
C8 | C10 | C11 | C12 | 178.6° | 180.0° |
C8 | C10 | C11 | H4 | 1.4° | 0.0° |
C10 | C8 | N7 | H27 | 3.3° | 0.0° |
C11 | C10 | C8 | N7 | 46.6° | 6.1° |
C10 | C11 | C12 | H4 | 180.0° | 180.0° |
C11 | C10 | C8 | O9 | 132.3° | 173.9° |
C10 | C11 | C12 | H5 | 178.8° | 180.0° |
C6 | N7 | C8 | H27 | 180.0° | 180.0° |
N7 | C6 | C4 | H26 | 119.9° | 120.0° |
C6 | N7 | C8 | O9 | 4.4° | 0.0° |
N7 | C6 | C4 | O5 | 6.1° | 31.8° |
N7 | C6 | C4 | N2 | 170.4° | 148.2° |
C8 | N7 | C6 | C4 | 158.5° | 85.0° |
C8 | N7 | C6 | H26 | 38.7° | 35.0° |
C11 | C12 | C13 | H6 | 178.2° | 180.0° |
C6 | C4 | O5 | N2 | 176.1° | 180.0° |
C6 | C4 | N2 | C1 | 2.8° | 174.6° |
C6 | C4 | N2 | C3 | 179.5° | 5.4° |
C4 | C6 | N7 | H27 | 21.4° | 95.0° |
O9 | C8 | N7 | H27 | 175.6° | 180.0° |
O5 | C4 | N2 | C1 | 179.3° | 5.4° |
O5 | C4 | N2 | C3 | 3.0° | 174.6° |
O5 | C4 | C6 | H26 | 126.0° | 151.9° |
C4 | N2 | C1 | C3 | 177.8° | 180.0° |
C4 | N2 | C1 | H1 | 180.0° | 90.0° |
C4 | N2 | C1 | H2 | 60.0° | 150.0° |
C4 | N2 | C1 | H3 | 60.0° | 30.1° |
C4 | N2 | C3 | H15 | 180.0° | 63.3° |
C4 | N2 | C3 | H16 | 60.0° | 176.6° |
C4 | N2 | C3 | H17 | 60.0° | 56.7° |
N2 | C4 | C6 | H26 | 50.5° | 28.1° |
N2 | C1 | H1 | H2 | 120.0° | 120.0° |
N2 | C1 | H1 | H3 | 120.0° | 120.1° |
N2 | C1 | H2 | H3 | 120.0° | 120.0° |
C1 | N2 | C3 | H15 | 2.1° | 116.7° |
C1 | N2 | C3 | H16 | 117.9° | 3.4° |
C1 | N2 | C3 | H17 | 122.1° | 123.3° |
C3 | N2 | C1 | H1 | 2.3° | 90.0° |
C3 | N2 | C1 | H2 | 122.2° | 30.0° |
C3 | N2 | C1 | H3 | 117.8° | 149.9° |
N2 | C3 | H15 | H16 | 120.0° | 120.1° |
N2 | C3 | H15 | H17 | 120.0° | 119.9° |
N2 | C3 | H16 | H17 | 120.0° | 119.9° |
H1 | C1 | H2 | H3 | 120.0° | 120.0° |
H4 | C11 | C12 | H5 | 1.3° | 0.0° |
H5 | C12 | C13 | H6 | 1.8° | 0.0° |
H6 | C13 | C14 | H7 | 0.8° | 0.2° |
H8 | C17 | C18 | H9 | 0.6° | 0.0° |
H10 | C20 | C21 | H11 | 0.0° | 0.3° |
H12 | C27 | C28 | H13 | 2.1° | 0.1° |
H13 | C28 | C29 | H14 | 2.3° | 0.0° |
H15 | C3 | H16 | H17 | 120.0° | 120.0° |
H19 | C33 | C34 | H21 | 1.7° | 154.9° |
H20 | C33 | C34 | H21 | 129.4° | 23.7° |
H21 | C34 | C35 | H22 | 172.2° | 76.5° |
H21 | C34 | C35 | H23 | 68.0° | 163.4° |
H21 | C34 | C40 | H24 | 129.5° | 23.7° |
H21 | C34 | C40 | H25 | 1.9° | 155.1° |
H26 | C6 | N7 | H27 | 141.3° | 145.0° |