YJ6
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
O1 | C19 | doub | 0.00Å | 1.23Å | |
C14 | C15 | doub | 0.00Å | 1.39Å | Aromatic |
C14 | C13 | sing | 0.00Å | 1.39Å | Aromatic |
C15 | C16 | sing | 0.00Å | 1.37Å | Aromatic |
C19 | N3 | sing | 0.00Å | 1.35Å | |
C19 | N2 | sing | 0.00Å | 1.39Å | |
N1 | C6 | sing | 0.00Å | 1.46Å | |
N1 | C7 | sing | 0.00Å | 1.34Å | |
C6 | C5 | sing | 0.00Å | 1.52Å | |
N3 | C20 | sing | 0.00Å | 1.46Å | |
N3 | C39 | sing | 0.00Å | 1.46Å | |
N2 | C13 | sing | 0.00Å | 1.44Å | |
N2 | C12 | sing | 0.00Å | 1.47Å | |
C13 | C18 | doub | 0.00Å | 1.40Å | Aromatic |
C16 | F2 | sing | 0.00Å | 1.36Å | |
C16 | C17 | doub | 0.00Å | 1.37Å | Aromatic |
C20 | C21 | sing | 0.00Å | 1.51Å | |
C39 | C38 | sing | 0.00Å | 1.51Å | |
C7 | C8 | sing | 0.00Å | 1.47Å | |
C7 | O3 | doub | 0.00Å | 1.23Å | |
C8 | O2 | sing | 0.00Å | 1.37Å | Aromatic |
C8 | C9 | doub | 0.00Å | 1.35Å | Aromatic |
O2 | C11 | sing | 0.00Å | 1.37Å | Aromatic |
C21 | N4 | sing | 0.00Å | 1.52Å | |
C11 | C12 | sing | 0.00Å | 1.49Å | |
C11 | C10 | doub | 0.00Å | 1.34Å | Aromatic |
C9 | C10 | sing | 0.00Å | 1.42Å | Aromatic |
C5 | C4 | sing | 0.00Å | 1.52Å | |
C18 | C17 | sing | 0.00Å | 1.39Å | Aromatic |
C38 | N4 | sing | 0.00Å | 1.53Å | |
C22 | N4 | sing | 0.00Å | 1.53Å | |
C22 | C23 | sing | 0.00Å | 1.53Å | |
N4 | C31 | sing | 0.00Å | 1.54Å | |
C34 | C33 | doub | 0.00Å | 1.38Å | Aromatic |
C34 | C35 | sing | 0.00Å | 1.38Å | Aromatic |
C33 | C32 | sing | 0.00Å | 1.39Å | Aromatic |
C4 | C40 | doub | 0.00Å | 1.39Å | Aromatic |
C4 | C3 | sing | 0.00Å | 1.40Å | Aromatic |
C23 | C24 | sing | 0.00Å | 1.54Å | |
CL1 | C35 | sing | 0.00Å | 1.73Å | |
C40 | C41 | sing | 0.00Å | 1.39Å | Aromatic |
C35 | C36 | doub | 0.00Å | 1.39Å | Aromatic |
C32 | C31 | sing | 0.00Å | 1.51Å | |
C32 | C37 | doub | 0.00Å | 1.39Å | Aromatic |
C3 | C2 | doub | 0.00Å | 1.39Å | Aromatic |
C36 | C37 | sing | 0.00Å | 1.39Å | Aromatic |
C36 | CL2 | sing | 0.00Å | 1.74Å | |
C41 | C1 | doub | 0.00Å | 1.37Å | Aromatic |
C26 | C27 | doub | 0.00Å | 1.39Å | Aromatic |
C26 | C25 | sing | 0.00Å | 1.39Å | Aromatic |
C24 | C25 | sing | 0.00Å | 1.52Å | |
C2 | C1 | sing | 0.00Å | 1.37Å | Aromatic |
C27 | C28 | sing | 0.00Å | 1.38Å | Aromatic |
C25 | C30 | doub | 0.00Å | 1.39Å | Aromatic |
C1 | F1 | sing | 0.00Å | 1.36Å | |
C28 | C29 | doub | 0.00Å | 1.38Å | Aromatic |
C30 | C29 | sing | 0.00Å | 1.39Å | Aromatic |
C2 | H1 | sing | 0.00Å | 1.08Å | |
C3 | H2 | sing | 0.00Å | 1.08Å | |
C5 | H3 | sing | 0.00Å | 1.10Å | |
C5 | H4 | sing | 0.00Å | 1.10Å | |
C6 | H5 | sing | 0.00Å | 1.10Å | |
C6 | H6 | sing | 0.00Å | 1.10Å | |
N1 | H7 | sing | 0.00Å | 1.00Å | |
C9 | H8 | sing | 0.00Å | 1.08Å | |
C10 | H9 | sing | 0.00Å | 1.08Å | |
C12 | H10 | sing | 0.00Å | 1.10Å | |
C12 | H11 | sing | 0.00Å | 1.10Å | |
C14 | H12 | sing | 0.00Å | 1.08Å | |
C15 | H13 | sing | 0.00Å | 1.08Å | |
C17 | H14 | sing | 0.00Å | 1.08Å | |
C18 | H15 | sing | 0.00Å | 1.08Å | |
C20 | H16 | sing | 0.00Å | 1.10Å | |
C20 | H17 | sing | 0.00Å | 1.10Å | |
C21 | H18 | sing | 0.00Å | 1.10Å | |
C21 | H19 | sing | 0.00Å | 1.10Å | |
C22 | H20 | sing | 0.00Å | 1.10Å | |
C22 | H21 | sing | 0.00Å | 1.10Å | |
C23 | H22 | sing | 0.00Å | 1.10Å | |
C23 | H23 | sing | 0.00Å | 1.10Å | |
C24 | H24 | sing | 0.00Å | 1.10Å | |
C24 | H25 | sing | 0.00Å | 1.10Å | |
C26 | H26 | sing | 0.00Å | 1.08Å | |
C27 | H27 | sing | 0.00Å | 1.08Å | |
C28 | H28 | sing | 0.00Å | 1.08Å | |
C29 | H29 | sing | 0.00Å | 1.08Å | |
C30 | H30 | sing | 0.00Å | 1.08Å | |
C31 | H31 | sing | 0.00Å | 1.10Å | |
C31 | H32 | sing | 0.00Å | 1.10Å | |
C33 | H33 | sing | 0.00Å | 1.08Å | |
C34 | H34 | sing | 0.00Å | 1.08Å | |
C37 | H35 | sing | 0.00Å | 1.08Å | |
C38 | H36 | sing | 0.00Å | 1.10Å | |
C38 | H37 | sing | 0.00Å | 1.10Å | |
C39 | H38 | sing | 0.00Å | 1.10Å | |
C39 | H39 | sing | 0.00Å | 1.10Å | |
C40 | H40 | sing | 0.00Å | 1.08Å | |
C41 | H41 | sing | 0.00Å | 1.08Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O1 | C19 | N3 | 119.6° | 90.0° |
O1 | C19 | N2 | 120.3° | 90.0° |
C15 | C14 | C13 | 121.1° | 90.0° |
C14 | C15 | C16 | 118.7° | 90.0° |
C15 | C14 | H12 | 119.4° | 90.0° |
C14 | C15 | H13 | 120.7° | 90.0° |
C14 | C13 | N2 | 120.8° | 90.0° |
C14 | C13 | C18 | 118.2° | 90.0° |
C13 | C14 | H12 | 119.5° | 90.0° |
C15 | C16 | F2 | 118.6° | 90.0° |
C15 | C16 | C17 | 122.5° | 90.0° |
C16 | C15 | H13 | 120.7° | 90.0° |
N3 | C19 | N2 | 120.1° | 90.0° |
C19 | N3 | C20 | 124.4° | 90.0° |
C19 | N3 | C39 | 122.9° | 90.0° |
C19 | N2 | C13 | 119.0° | 90.0° |
C19 | N2 | C12 | 121.8° | 90.0° |
C6 | N1 | C7 | 121.3° | 90.0° |
N1 | C6 | C5 | 111.2° | 90.0° |
N1 | C6 | H5 | 109.1° | 90.0° |
N1 | C6 | H6 | 109.1° | 90.0° |
C6 | N1 | H7 | 119.4° | 90.0° |
N1 | C7 | C8 | 118.8° | 90.0° |
N1 | C7 | O3 | 120.7° | 90.0° |
C7 | N1 | H7 | 119.4° | 90.0° |
C6 | C5 | C4 | 116.1° | 90.0° |
C6 | C5 | H3 | 107.8° | 90.0° |
C6 | C5 | H4 | 107.8° | 90.0° |
C5 | C6 | H5 | 109.0° | 90.0° |
C5 | C6 | H6 | 109.0° | 90.0° |
C20 | N3 | C39 | 112.6° | 90.0° |
N3 | C20 | C21 | 110.9° | 90.0° |
N3 | C20 | H16 | 109.1° | 90.0° |
N3 | C20 | H17 | 109.1° | 90.0° |
N3 | C39 | C38 | 109.8° | 90.0° |
N3 | C39 | H38 | 109.4° | 90.0° |
N3 | C39 | H39 | 109.4° | 90.0° |
C13 | N2 | C12 | 119.0° | 90.0° |
N2 | C13 | C18 | 120.9° | 90.0° |
N2 | C12 | C11 | 118.2° | 90.0° |
N2 | C12 | H10 | 107.2° | 90.0° |
N2 | C12 | H11 | 107.2° | 90.0° |
C13 | C18 | C17 | 121.1° | 90.0° |
C13 | C18 | H15 | 119.5° | 90.0° |
F2 | C16 | C17 | 118.9° | 90.0° |
C16 | C17 | C18 | 118.5° | 90.0° |
C16 | C17 | H14 | 120.7° | 90.0° |
C20 | C21 | N4 | 111.5° | 90.0° |
C21 | C20 | H16 | 109.1° | 90.0° |
C21 | C20 | H17 | 109.1° | 90.0° |
C20 | C21 | H18 | 109.0° | 90.0° |
C20 | C21 | H19 | 109.0° | 90.0° |
C39 | C38 | N4 | 112.3° | 90.0° |
C39 | C38 | H36 | 108.8° | 90.0° |
C39 | C38 | H37 | 108.7° | 90.0° |
C38 | C39 | H38 | 109.4° | 90.0° |
C38 | C39 | H39 | 109.4° | 90.0° |
C8 | C7 | O3 | 120.4° | 90.0° |
C7 | C8 | O2 | 119.1° | 90.0° |
C7 | C8 | C9 | 132.0° | 90.0° |
O2 | C8 | C9 | 108.9° | 90.0° |
C8 | O2 | C11 | 107.6° | 90.0° |
C8 | C9 | C10 | 107.2° | 90.0° |
C8 | C9 | H8 | 126.4° | 90.0° |
O2 | C11 | C12 | 116.2° | 90.0° |
O2 | C11 | C10 | 108.9° | 90.0° |
C21 | N4 | C38 | 107.4° | 90.0° |
C21 | N4 | C22 | 106.5° | 90.0° |
C21 | N4 | C31 | 112.1° | 90.0° |
N4 | C21 | H18 | 109.0° | 90.0° |
N4 | C21 | H19 | 109.0° | 90.0° |
C12 | C11 | C10 | 134.8° | 90.0° |
C11 | C12 | H10 | 107.2° | 90.0° |
C11 | C12 | H11 | 107.2° | 90.0° |
C11 | C10 | C9 | 107.3° | 90.0° |
C11 | C10 | H9 | 126.3° | 90.0° |
C10 | C9 | H8 | 126.4° | 90.0° |
C9 | C10 | H9 | 126.3° | 90.0° |
C5 | C4 | C40 | 120.7° | 90.0° |
C5 | C4 | C3 | 121.8° | 90.0° |
C4 | C5 | H3 | 107.8° | 90.0° |
C4 | C5 | H4 | 107.8° | 90.0° |
C18 | C17 | H14 | 120.8° | 90.0° |
C17 | C18 | H15 | 119.5° | 90.0° |
C38 | N4 | C22 | 112.9° | 90.0° |
C38 | N4 | C31 | 109.9° | 90.0° |
N4 | C38 | H36 | 108.8° | 90.0° |
N4 | C38 | H37 | 108.8° | 90.0° |
N4 | C22 | C23 | 117.4° | 90.0° |
C22 | N4 | C31 | 108.2° | 90.0° |
N4 | C22 | H20 | 107.5° | 90.0° |
N4 | C22 | H21 | 107.5° | 90.0° |
C22 | C23 | C24 | 114.8° | 90.0° |
C23 | C22 | H20 | 107.5° | 90.0° |
C23 | C22 | H21 | 107.4° | 90.0° |
C22 | C23 | H22 | 108.1° | 90.0° |
C22 | C23 | H23 | 108.1° | 90.0° |
N4 | C31 | C32 | 116.9° | 90.0° |
N4 | C31 | H31 | 107.6° | 90.0° |
N4 | C31 | H32 | 107.6° | 90.0° |
C33 | C34 | C35 | 120.0° | 90.0° |
C34 | C33 | C32 | 120.9° | 90.0° |
C34 | C33 | H33 | 119.5° | 90.0° |
C33 | C34 | H34 | 120.0° | 90.0° |
C34 | C35 | CL1 | 118.1° | 90.0° |
C34 | C35 | C36 | 120.0° | 90.0° |
C35 | C34 | H34 | 120.0° | 90.0° |
C33 | C32 | C31 | 120.1° | 90.0° |
C33 | C32 | C37 | 118.9° | 90.0° |
C32 | C33 | H33 | 119.5° | 90.0° |
C40 | C4 | C3 | 117.5° | 90.0° |
C4 | C40 | C41 | 121.3° | 90.0° |
C4 | C40 | H40 | 119.3° | 90.0° |
C4 | C3 | C2 | 122.1° | 90.0° |
C4 | C3 | H2 | 118.9° | 90.0° |
C23 | C24 | C25 | 116.1° | 90.0° |
C24 | C23 | H22 | 108.1° | 90.0° |
C24 | C23 | H23 | 108.1° | 90.0° |
C23 | C24 | H24 | 107.8° | 90.0° |
C23 | C24 | H25 | 107.8° | 90.0° |
CL1 | C35 | C36 | 121.8° | 90.0° |
C40 | C41 | C1 | 118.4° | 90.0° |
C41 | C40 | H40 | 119.3° | 90.0° |
C40 | C41 | H41 | 120.8° | 90.0° |
C35 | C36 | C37 | 119.8° | 90.0° |
C35 | C36 | CL2 | 121.1° | 90.0° |
C31 | C32 | C37 | 121.0° | 90.0° |
C32 | C31 | H31 | 107.6° | 90.0° |
C32 | C31 | H32 | 107.6° | 90.0° |
C32 | C37 | C36 | 120.3° | 90.0° |
C32 | C37 | H35 | 119.8° | 90.0° |
C3 | C2 | C1 | 117.6° | 90.0° |
C3 | C2 | H1 | 121.2° | 90.0° |
C2 | C3 | H2 | 119.0° | 90.0° |
C37 | C36 | CL2 | 119.1° | 90.0° |
C36 | C37 | H35 | 119.8° | 90.0° |
C41 | C1 | C2 | 123.0° | 90.0° |
C41 | C1 | F1 | 118.4° | 90.0° |
C1 | C41 | H41 | 120.8° | 90.0° |
C27 | C26 | C25 | 120.7° | 90.0° |
C26 | C27 | C28 | 120.3° | 90.0° |
C27 | C26 | H26 | 119.7° | 90.0° |
C26 | C27 | H27 | 119.8° | 90.0° |
C26 | C25 | C24 | 121.6° | 90.0° |
C26 | C25 | C30 | 118.2° | 90.0° |
C25 | C26 | H26 | 119.6° | 90.0° |
C24 | C25 | C30 | 120.2° | 90.0° |
C25 | C24 | H24 | 107.8° | 90.0° |
C25 | C24 | H25 | 107.8° | 90.0° |
C2 | C1 | F1 | 118.5° | 90.0° |
C1 | C2 | H1 | 121.2° | 90.0° |
C27 | C28 | C29 | 119.8° | 90.0° |
C28 | C27 | H27 | 119.9° | 90.0° |
C27 | C28 | H28 | 120.1° | 90.0° |
C25 | C30 | C29 | 120.9° | 90.0° |
C25 | C30 | H30 | 119.5° | 90.0° |
C28 | C29 | C30 | 120.1° | 90.0° |
C29 | C28 | H28 | 120.1° | 90.0° |
C28 | C29 | H29 | 119.9° | 90.0° |
C30 | C29 | H29 | 120.0° | 90.0° |
C29 | C30 | H30 | 119.5° | 90.0° |
H3 | C5 | H4 | 109.5° | 90.0° |
H5 | C6 | H6 | 109.4° | 90.0° |
H10 | C12 | H11 | 109.5° | 90.0° |
H16 | C20 | H17 | 109.5° | 90.0° |
H18 | C21 | H19 | 109.5° | 90.0° |
H20 | C22 | H21 | 109.5° | 90.0° |
H22 | C23 | H23 | 109.5° | 90.0° |
H24 | C24 | H25 | 109.5° | 90.0° |
H31 | C31 | H32 | 109.5° | 90.0° |
H36 | C38 | H37 | 109.5° | 90.0° |
H38 | C39 | H39 | 109.5° | 90.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O1 | C19 | N3 | N2 | 178.3° | 90.0° |
O1 | C19 | N3 | C20 | 111.1° | 90.0° |
O1 | C19 | N3 | C39 | 72.3° | 90.0° |
O1 | C19 | N2 | C13 | 50.0° | 90.0° |
O1 | C19 | N2 | C12 | 135.6° | 90.0° |
C15 | C14 | C13 | H12 | 180.0° | 90.0° |
C14 | C15 | C16 | H13 | 180.0° | 90.0° |
C15 | C14 | C13 | N2 | 179.3° | 90.0° |
C15 | C14 | C13 | C18 | 1.2° | 90.0° |
C14 | C15 | C16 | F2 | 179.9° | 90.0° |
C14 | C15 | C16 | C17 | 0.0° | 90.0° |
C13 | C14 | C15 | C16 | 0.6° | 90.0° |
C14 | C13 | N2 | C19 | 74.5° | 90.0° |
C14 | C13 | N2 | C18 | 178.1° | 90.0° |
C14 | C13 | N2 | C12 | 110.8° | 90.0° |
C14 | C13 | C18 | C17 | 1.3° | 90.0° |
C13 | C14 | C15 | H13 | 179.4° | 90.0° |
C14 | C13 | C18 | H15 | 178.8° | 90.0° |
C15 | C16 | F2 | C17 | 179.9° | 90.0° |
C15 | C16 | C17 | C18 | 0.0° | 90.0° |
C16 | C15 | C14 | H12 | 179.4° | 90.0° |
C15 | C16 | C17 | H14 | 180.0° | 90.0° |
C19 | N3 | C20 | C39 | 176.9° | 90.0° |
N3 | C19 | N2 | C13 | 128.4° | 90.0° |
N3 | C19 | N2 | C12 | 46.1° | 90.0° |
C19 | N3 | C20 | C21 | 164.7° | 90.0° |
C19 | N3 | C39 | C38 | 133.8° | 90.0° |
C19 | N3 | C20 | H16 | 44.5° | 90.0° |
C19 | N3 | C20 | H17 | 75.1° | 90.0° |
C19 | N3 | C39 | H38 | 13.7° | 90.0° |
C19 | N3 | C39 | H39 | 106.2° | 90.0° |
N2 | C19 | N3 | C20 | 70.5° | 90.0° |
N2 | C19 | N3 | C39 | 106.1° | 90.0° |
C19 | N2 | C13 | C12 | 174.6° | 90.0° |
C19 | N2 | C13 | C18 | 103.5° | 90.0° |
C19 | N2 | C12 | C11 | 139.1° | 90.0° |
C19 | N2 | C12 | H10 | 99.7° | 90.0° |
C19 | N2 | C12 | H11 | 17.8° | 90.0° |
C6 | N1 | C7 | H7 | 180.0° | 90.0° |
N1 | C6 | C5 | H5 | 120.3° | 90.0° |
N1 | C6 | C5 | H6 | 120.3° | 90.0° |
C6 | N1 | C7 | C8 | 162.5° | 90.0° |
C6 | N1 | C7 | O3 | 14.8° | 90.0° |
N1 | C6 | C5 | C4 | 79.4° | 90.0° |
N1 | C6 | C5 | H3 | 41.6° | 90.0° |
N1 | C6 | C5 | H4 | 159.6° | 90.0° |
N1 | C6 | H5 | H6 | 119.2° | 90.0° |
C7 | N1 | C6 | C5 | 77.9° | 90.0° |
N1 | C7 | C8 | O3 | 177.2° | 90.0° |
N1 | C7 | C8 | O2 | 28.5° | 90.0° |
N1 | C7 | C8 | C9 | 153.7° | 90.0° |
C7 | N1 | C6 | H5 | 161.9° | 90.0° |
C7 | N1 | C6 | H6 | 42.4° | 90.0° |
C6 | C5 | C4 | H3 | 121.0° | 90.0° |
C6 | C5 | C4 | H4 | 121.0° | 90.0° |
C6 | C5 | C4 | C40 | 84.5° | 90.0° |
C6 | C5 | C4 | C3 | 99.0° | 90.0° |
C6 | C5 | H3 | H4 | 117.0° | 90.0° |
C5 | C6 | H5 | H6 | 119.2° | 90.0° |
C5 | C6 | N1 | H7 | 102.2° | 90.0° |
N3 | C20 | C21 | H16 | 120.2° | 90.0° |
N3 | C20 | C21 | H17 | 120.2° | 90.0° |
C20 | N3 | C39 | C38 | 43.2° | 90.0° |
N3 | C20 | C21 | N4 | 65.5° | 90.0° |
N3 | C20 | H16 | H17 | 119.3° | 90.0° |
N3 | C20 | C21 | H18 | 54.8° | 90.0° |
N3 | C20 | C21 | H19 | 174.2° | 90.0° |
C20 | N3 | C39 | H38 | 163.2° | 90.0° |
C20 | N3 | C39 | H39 | 76.9° | 90.0° |
C39 | N3 | C20 | C21 | 18.4° | 90.0° |
N3 | C39 | C38 | H38 | 120.0° | 90.0° |
N3 | C39 | C38 | H39 | 120.1° | 90.0° |
N3 | C39 | C38 | N4 | 65.5° | 90.0° |
C39 | N3 | C20 | H16 | 138.6° | 90.0° |
C39 | N3 | C20 | H17 | 101.8° | 90.0° |
N3 | C39 | C38 | H36 | 54.9° | 90.0° |
N3 | C39 | C38 | H37 | 174.0° | 90.0° |
N3 | C39 | H38 | H39 | 119.8° | 90.0° |
C13 | N2 | C12 | C11 | 46.4° | 90.0° |
N2 | C13 | C18 | C17 | 179.4° | 90.0° |
C13 | N2 | C12 | H10 | 74.8° | 90.0° |
C13 | N2 | C12 | H11 | 167.7° | 90.0° |
N2 | C13 | C14 | H12 | 0.7° | 90.0° |
N2 | C13 | C18 | H15 | 0.6° | 90.0° |
C12 | N2 | C13 | C18 | 71.1° | 90.0° |
N2 | C12 | C11 | O2 | 132.4° | 90.0° |
N2 | C12 | C11 | H10 | 121.2° | 90.0° |
N2 | C12 | C11 | H11 | 121.2° | 90.0° |
N2 | C12 | C11 | C10 | 51.3° | 90.0° |
N2 | C12 | H10 | H11 | 116.0° | 90.0° |
C13 | C18 | C17 | C16 | 0.7° | 90.0° |
C13 | C18 | C17 | H15 | 180.0° | 90.0° |
C18 | C13 | C14 | H12 | 178.8° | 90.0° |
C13 | C18 | C17 | H14 | 179.3° | 90.0° |
F2 | C16 | C17 | C18 | 179.8° | 90.0° |
F2 | C16 | C15 | H13 | 0.1° | 90.0° |
F2 | C16 | C17 | H14 | 0.2° | 90.0° |
C16 | C17 | C18 | H14 | 180.0° | 90.0° |
C17 | C16 | C15 | H13 | 180.0° | 90.0° |
C16 | C17 | C18 | H15 | 179.3° | 90.0° |
C20 | C21 | N4 | H18 | 120.3° | 90.0° |
C20 | C21 | N4 | H19 | 120.3° | 90.0° |
C20 | C21 | N4 | C38 | 42.3° | 90.0° |
C20 | C21 | N4 | C22 | 163.4° | 90.0° |
C20 | C21 | N4 | C31 | 78.5° | 90.0° |
C21 | C20 | H16 | H17 | 119.4° | 90.0° |
C20 | C21 | H18 | H19 | 119.1° | 90.0° |
C39 | C38 | N4 | C21 | 19.4° | 90.0° |
C39 | C38 | N4 | H36 | 120.4° | 90.0° |
C39 | C38 | N4 | H37 | 120.4° | 90.0° |
C39 | C38 | N4 | C22 | 97.6° | 90.0° |
C39 | C38 | N4 | C31 | 141.5° | 90.0° |
C39 | C38 | H36 | H37 | 118.7° | 90.0° |
C38 | C39 | H38 | H39 | 119.9° | 90.0° |
C7 | C8 | O2 | C9 | 178.3° | 90.0° |
C7 | C8 | O2 | C11 | 179.6° | 90.0° |
C7 | C8 | C9 | C10 | 178.7° | 90.0° |
C8 | C7 | N1 | H7 | 17.6° | 90.0° |
C7 | C8 | C9 | H8 | 1.3° | 90.0° |
O3 | C7 | C8 | O2 | 148.7° | 90.0° |
O3 | C7 | C8 | C9 | 29.1° | 90.0° |
O3 | C7 | N1 | H7 | 165.2° | 90.0° |
C8 | O2 | C11 | C12 | 178.6° | 90.0° |
C8 | O2 | C11 | C10 | 1.4° | 90.0° |
O2 | C8 | C9 | C10 | 0.7° | 90.0° |
O2 | C8 | C9 | H8 | 179.3° | 90.0° |
C9 | C8 | O2 | C11 | 1.3° | 90.0° |
C8 | C9 | C10 | C11 | 0.2° | 90.0° |
C8 | C9 | C10 | H8 | 180.0° | 90.0° |
C8 | C9 | C10 | H9 | 179.8° | 90.0° |
O2 | C11 | C12 | C10 | 176.2° | 90.0° |
O2 | C11 | C10 | C9 | 1.0° | 90.0° |
O2 | C11 | C10 | H9 | 179.0° | 90.0° |
O2 | C11 | C12 | H10 | 106.3° | 90.0° |
O2 | C11 | C12 | H11 | 11.2° | 90.0° |
C21 | N4 | C38 | C22 | 117.0° | 90.0° |
C21 | N4 | C38 | C31 | 122.2° | 90.0° |
C21 | N4 | C22 | C31 | 120.6° | 90.0° |
C21 | N4 | C22 | C23 | 149.2° | 90.0° |
C21 | N4 | C31 | C32 | 24.3° | 90.0° |
N4 | C21 | C20 | H16 | 174.3° | 90.0° |
N4 | C21 | C20 | H17 | 54.7° | 90.0° |
N4 | C21 | H18 | H19 | 119.1° | 90.0° |
C21 | N4 | C22 | H20 | 28.0° | 90.0° |
C21 | N4 | C22 | H21 | 89.7° | 90.0° |
C21 | N4 | C31 | H31 | 145.4° | 90.0° |
C21 | N4 | C31 | H32 | 96.8° | 90.0° |
C21 | N4 | C38 | H36 | 101.0° | 90.0° |
C21 | N4 | C38 | H37 | 139.8° | 90.0° |
C12 | C11 | C10 | C9 | 177.4° | 90.0° |
C12 | C11 | C10 | H9 | 2.6° | 90.0° |
C11 | C12 | H10 | H11 | 116.1° | 90.0° |
C11 | C10 | C9 | H9 | 180.0° | 90.0° |
C11 | C10 | C9 | H8 | 179.8° | 90.0° |
C10 | C11 | C12 | H10 | 69.9° | 90.0° |
C10 | C11 | C12 | H11 | 172.6° | 90.0° |
C5 | C4 | C40 | C3 | 176.6° | 90.0° |
C5 | C4 | C40 | C41 | 178.6° | 90.0° |
C5 | C4 | C3 | C2 | 177.4° | 90.0° |
C5 | C4 | C3 | H2 | 2.5° | 90.0° |
C4 | C5 | H3 | H4 | 117.0° | 90.0° |
C4 | C5 | C6 | H5 | 160.3° | 90.0° |
C4 | C5 | C6 | H6 | 40.9° | 90.0° |
C5 | C4 | C40 | H40 | 1.4° | 90.0° |
C38 | N4 | C22 | C31 | 121.8° | 90.0° |
C38 | N4 | C22 | C23 | 31.6° | 90.0° |
C38 | N4 | C31 | C32 | 95.0° | 90.0° |
C38 | N4 | C21 | H18 | 78.0° | 90.0° |
C38 | N4 | C21 | H19 | 162.6° | 90.0° |
C38 | N4 | C22 | H20 | 89.5° | 90.0° |
C38 | N4 | C22 | H21 | 152.8° | 90.0° |
C38 | N4 | C31 | H31 | 26.1° | 90.0° |
C38 | N4 | C31 | H32 | 143.9° | 90.0° |
N4 | C38 | H36 | H37 | 118.8° | 90.0° |
N4 | C38 | C39 | H38 | 174.4° | 90.0° |
N4 | C38 | C39 | H39 | 54.5° | 90.0° |
N4 | C22 | C23 | H20 | 121.2° | 90.0° |
N4 | C22 | C23 | H21 | 121.1° | 90.0° |
N4 | C22 | C23 | C24 | 74.9° | 90.0° |
C22 | N4 | C31 | C32 | 141.3° | 90.0° |
C22 | N4 | C21 | H18 | 43.1° | 90.0° |
C22 | N4 | C21 | H19 | 76.3° | 90.0° |
N4 | C22 | H20 | H21 | 116.4° | 90.0° |
N4 | C22 | C23 | H22 | 45.9° | 90.0° |
N4 | C22 | C23 | H23 | 164.3° | 90.0° |
C22 | N4 | C31 | H31 | 97.6° | 90.0° |
C22 | N4 | C31 | H32 | 20.2° | 90.0° |
C22 | N4 | C38 | H36 | 142.0° | 90.0° |
C22 | N4 | C38 | H37 | 22.8° | 90.0° |
C23 | C22 | N4 | C31 | 90.2° | 90.0° |
C22 | C23 | C24 | H22 | 120.8° | 90.0° |
C22 | C23 | C24 | H23 | 120.8° | 90.0° |
C22 | C23 | C24 | C25 | 147.0° | 90.0° |
C23 | C22 | H20 | H21 | 116.4° | 90.0° |
C22 | C23 | H22 | H23 | 117.5° | 90.0° |
C22 | C23 | C24 | H24 | 92.1° | 90.0° |
C22 | C23 | C24 | H25 | 26.0° | 90.0° |
N4 | C31 | C32 | C33 | 68.3° | 90.0° |
N4 | C31 | C32 | H31 | 121.1° | 90.0° |
N4 | C31 | C32 | H32 | 121.1° | 90.0° |
N4 | C31 | C32 | C37 | 111.6° | 90.0° |
C31 | N4 | C21 | H18 | 161.2° | 90.0° |
C31 | N4 | C21 | H19 | 41.8° | 90.0° |
C31 | N4 | C22 | H20 | 148.6° | 90.0° |
C31 | N4 | C22 | H21 | 30.9° | 90.0° |
N4 | C31 | H31 | H32 | 116.6° | 90.0° |
C31 | N4 | C38 | H36 | 21.1° | 90.0° |
C31 | N4 | C38 | H37 | 98.1° | 90.0° |
C33 | C34 | C35 | H34 | 180.0° | 90.0° |
C34 | C33 | C32 | H33 | 180.0° | 90.0° |
C33 | C34 | C35 | CL1 | 179.1° | 90.0° |
C33 | C34 | C35 | C36 | 0.8° | 90.0° |
C34 | C33 | C32 | C31 | 178.4° | 90.0° |
C34 | C33 | C32 | C37 | 1.5° | 90.0° |
C35 | C34 | C33 | C32 | 1.5° | 90.0° |
C34 | C35 | CL1 | C36 | 179.9° | 90.0° |
C34 | C35 | C36 | C37 | 0.1° | 90.0° |
C34 | C35 | C36 | CL2 | 179.9° | 90.0° |
C35 | C34 | C33 | H33 | 178.5° | 90.0° |
C33 | C32 | C31 | C37 | 179.9° | 90.0° |
C33 | C32 | C37 | C36 | 0.8° | 90.0° |
C33 | C32 | C31 | H31 | 170.7° | 90.0° |
C33 | C32 | C31 | H32 | 52.8° | 90.0° |
C32 | C33 | C34 | H34 | 178.5° | 90.0° |
C33 | C32 | C37 | H35 | 179.2° | 90.0° |
C4 | C40 | C41 | H40 | 180.0° | 90.0° |
C40 | C4 | C3 | C2 | 0.9° | 90.0° |
C4 | C40 | C41 | C1 | 2.2° | 90.0° |
C40 | C4 | C3 | H2 | 179.1° | 90.0° |
C40 | C4 | C5 | H3 | 154.5° | 90.0° |
C40 | C4 | C5 | H4 | 36.5° | 90.0° |
C4 | C40 | C41 | H41 | 177.8° | 90.0° |
C3 | C4 | C40 | C41 | 2.0° | 90.0° |
C4 | C3 | C2 | H2 | 180.0° | 90.0° |
C4 | C3 | C2 | C1 | 0.0° | 90.0° |
C4 | C3 | C2 | H1 | 180.0° | 90.0° |
C3 | C4 | C5 | H3 | 21.9° | 90.0° |
C3 | C4 | C5 | H4 | 140.0° | 90.0° |
C3 | C4 | C40 | H40 | 178.1° | 90.0° |
C23 | C24 | C25 | C26 | 16.2° | 90.0° |
C23 | C24 | C25 | H24 | 121.0° | 90.0° |
C23 | C24 | C25 | H25 | 121.0° | 90.0° |
C23 | C24 | C25 | C30 | 164.1° | 90.0° |
C24 | C23 | C22 | H20 | 164.0° | 90.0° |
C24 | C23 | C22 | H21 | 46.3° | 90.0° |
C24 | C23 | H22 | H23 | 117.6° | 90.0° |
C23 | C24 | H24 | H25 | 117.0° | 90.0° |
CL1 | C35 | C36 | C37 | 179.8° | 90.0° |
CL1 | C35 | C36 | CL2 | 0.0° | 90.0° |
CL1 | C35 | C34 | H34 | 0.9° | 90.0° |
C40 | C41 | C1 | H41 | 180.0° | 90.0° |
C40 | C41 | C1 | C2 | 1.4° | 90.0° |
C40 | C41 | C1 | F1 | 179.1° | 90.0° |
C35 | C36 | C37 | C32 | 0.1° | 90.0° |
C35 | C36 | C37 | CL2 | 179.8° | 90.0° |
C36 | C35 | C34 | H34 | 179.2° | 90.0° |
C35 | C36 | C37 | H35 | 179.9° | 90.0° |
C31 | C32 | C37 | C36 | 179.1° | 90.0° |
C32 | C31 | H31 | H32 | 116.6° | 90.0° |
C31 | C32 | C33 | H33 | 1.6° | 90.0° |
C31 | C32 | C37 | H35 | 1.0° | 90.0° |
C32 | C37 | C36 | H35 | 180.0° | 90.0° |
C32 | C37 | C36 | CL2 | 179.9° | 90.0° |
C37 | C32 | C31 | H31 | 9.5° | 90.0° |
C37 | C32 | C31 | H32 | 127.3° | 90.0° |
C37 | C32 | C33 | H33 | 178.5° | 90.0° |
C3 | C2 | C1 | C41 | 0.3° | 90.0° |
C3 | C2 | C1 | H1 | 180.0° | 90.0° |
C3 | C2 | C1 | F1 | 179.9° | 90.0° |
CL2 | C36 | C37 | H35 | 0.1° | 90.0° |
C41 | C1 | C2 | F1 | 179.5° | 90.0° |
C41 | C1 | C2 | H1 | 179.7° | 90.0° |
C1 | C41 | C40 | H40 | 177.8° | 90.0° |
C27 | C26 | C25 | H26 | 180.0° | 90.0° |
C27 | C26 | C25 | C24 | 180.0° | 90.0° |
C26 | C27 | C28 | H27 | 180.0° | 90.0° |
C27 | C26 | C25 | C30 | 0.3° | 90.0° |
C26 | C27 | C28 | C29 | 0.0° | 90.0° |
C26 | C27 | C28 | H28 | 180.0° | 90.0° |
C26 | C25 | C24 | C30 | 179.7° | 90.0° |
C25 | C26 | C27 | C28 | 0.2° | 90.0° |
C26 | C25 | C30 | C29 | 0.3° | 90.0° |
C26 | C25 | C24 | H24 | 104.7° | 90.0° |
C26 | C25 | C24 | H25 | 137.2° | 90.0° |
C25 | C26 | C27 | H27 | 179.8° | 90.0° |
C26 | C25 | C30 | H30 | 179.7° | 90.0° |
C24 | C25 | C30 | C29 | 179.9° | 90.0° |
C25 | C24 | C23 | H22 | 26.2° | 90.0° |
C25 | C24 | C23 | H23 | 92.3° | 90.0° |
C25 | C24 | H24 | H25 | 117.0° | 90.0° |
C24 | C25 | C26 | H26 | 0.0° | 90.0° |
C24 | C25 | C30 | H30 | 0.0° | 90.0° |
C1 | C2 | C3 | H2 | 179.9° | 90.0° |
C2 | C1 | C41 | H41 | 178.6° | 90.0° |
C27 | C28 | C29 | H28 | 180.0° | 90.0° |
C27 | C28 | C29 | C30 | 0.0° | 90.0° |
C28 | C27 | C26 | H26 | 179.8° | 90.0° |
C27 | C28 | C29 | H29 | 180.0° | 90.0° |
C25 | C30 | C29 | C28 | 0.1° | 90.0° |
C25 | C30 | C29 | H30 | 180.0° | 90.0° |
C30 | C25 | C24 | H24 | 74.9° | 90.0° |
C30 | C25 | C24 | H25 | 43.1° | 90.0° |
C30 | C25 | C26 | H26 | 179.7° | 90.0° |
C25 | C30 | C29 | H29 | 179.9° | 90.0° |
F1 | C1 | C2 | H1 | 0.2° | 90.0° |
F1 | C1 | C41 | H41 | 0.9° | 90.0° |
C28 | C29 | C30 | H29 | 180.0° | 90.0° |
C29 | C28 | C27 | H27 | 180.0° | 90.0° |
C28 | C29 | C30 | H30 | 179.9° | 90.0° |
C30 | C29 | C28 | H28 | 179.9° | 90.0° |
H1 | C2 | C3 | H2 | 0.0° | 90.0° |
H3 | C5 | C6 | H5 | 78.7° | 90.0° |
H3 | C5 | C6 | H6 | 161.9° | 90.0° |
H4 | C5 | C6 | H5 | 39.4° | 90.0° |
H4 | C5 | C6 | H6 | 80.1° | 90.0° |
H5 | C6 | N1 | H7 | 18.1° | 90.0° |
H6 | C6 | N1 | H7 | 137.5° | 90.0° |
H8 | C9 | C10 | H9 | 0.2° | 90.0° |
H12 | C14 | C15 | H13 | 0.6° | 90.0° |
H14 | C17 | C18 | H15 | 0.7° | 90.0° |
H16 | C20 | C21 | H18 | 65.4° | 90.0° |
H16 | C20 | C21 | H19 | 54.0° | 90.0° |
H17 | C20 | C21 | H18 | 175.0° | 90.0° |
H17 | C20 | C21 | H19 | 65.6° | 90.0° |
H20 | C22 | C23 | H22 | 75.2° | 90.0° |
H20 | C22 | C23 | H23 | 43.2° | 90.0° |
H21 | C22 | C23 | H22 | 167.1° | 90.0° |
H21 | C22 | C23 | H23 | 74.5° | 90.0° |
H22 | C23 | C24 | H24 | 147.1° | 90.0° |
H22 | C23 | C24 | H25 | 94.8° | 90.0° |
H23 | C23 | C24 | H24 | 28.7° | 90.0° |
H23 | C23 | C24 | H25 | 146.8° | 90.0° |
H26 | C26 | C27 | H27 | 0.2° | 90.0° |
H27 | C27 | C28 | H28 | 0.0° | 90.0° |
H28 | C28 | C29 | H29 | 0.1° | 90.0° |
H29 | C29 | C30 | H30 | 0.1° | 90.0° |
H33 | C33 | C34 | H34 | 1.5° | 90.0° |
H36 | C38 | C39 | H38 | 65.2° | 90.0° |
H36 | C38 | C39 | H39 | 174.9° | 90.0° |
H37 | C38 | C39 | H38 | 54.0° | 90.0° |
H37 | C38 | C39 | H39 | 65.9° | 90.0° |
H40 | C40 | C41 | H41 | 2.2° | 90.0° |