YJK
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C1 | C2 | doub | 0.00Å | 1.36Å | Aromatic |
C1 | F1 | sing | 0.00Å | 1.36Å | |
C1 | C35 | sing | 0.00Å | 1.36Å | Aromatic |
C2 | C3 | sing | 0.00Å | 1.39Å | Aromatic |
C4 | C5 | sing | 0.00Å | 1.51Å | |
C4 | C3 | doub | 0.00Å | 1.39Å | Aromatic |
C4 | C34 | sing | 0.00Å | 1.39Å | Aromatic |
C5 | C6 | sing | 0.00Å | 1.51Å | |
C6 | N1 | sing | 0.00Å | 1.45Å | |
C9 | C10 | sing | 0.00Å | 1.43Å | Aromatic |
C9 | C8 | doub | 0.00Å | 1.36Å | Aromatic |
O3 | C7 | doub | 0.00Å | 1.23Å | |
C10 | C11 | doub | 0.00Å | 1.35Å | Aromatic |
C12 | C11 | sing | 0.00Å | 1.49Å | |
C12 | N2 | sing | 0.00Å | 1.46Å | |
C13 | N2 | sing | 0.00Å | 1.36Å | |
C13 | N3 | sing | 0.00Å | 1.38Å | |
C13 | O1 | doub | 0.00Å | 1.23Å | |
C14 | C15 | sing | 0.00Å | 1.51Å | |
C14 | N3 | sing | 0.00Å | 1.47Å | |
C15 | N4 | sing | 0.00Å | 1.51Å | |
C16 | C17 | sing | 0.00Å | 1.53Å | |
C16 | N4 | sing | 0.00Å | 1.52Å | |
C17 | C18 | sing | 0.00Å | 1.54Å | |
C18 | C19 | sing | 0.00Å | 1.51Å | |
C19 | C20 | doub | 0.00Å | 1.39Å | Aromatic |
C19 | C24 | sing | 0.00Å | 1.39Å | Aromatic |
C20 | C21 | sing | 0.00Å | 1.39Å | Aromatic |
C21 | C22 | doub | 0.00Å | 1.38Å | Aromatic |
C23 | C24 | doub | 0.00Å | 1.39Å | Aromatic |
C23 | C22 | sing | 0.00Å | 1.37Å | Aromatic |
C25 | C26 | sing | 0.00Å | 1.50Å | |
C25 | N4 | sing | 0.00Å | 1.53Å | |
C26 | C27 | doub | 0.00Å | 1.39Å | Aromatic |
C26 | C31 | sing | 0.00Å | 1.38Å | Aromatic |
C27 | C28 | sing | 0.00Å | 1.38Å | Aromatic |
N1 | C7 | sing | 0.00Å | 1.34Å | |
C7 | C8 | sing | 0.00Å | 1.46Å | |
C8 | O2 | sing | 0.00Å | 1.37Å | Aromatic |
C11 | O2 | sing | 0.00Å | 1.37Å | Aromatic |
N3 | C33 | sing | 0.00Å | 1.46Å | |
N4 | C32 | sing | 0.00Å | 1.51Å | |
C28 | C29 | doub | 0.00Å | 1.38Å | Aromatic |
C29 | CL1 | sing | 0.00Å | 1.72Å | |
C29 | C30 | sing | 0.00Å | 1.38Å | Aromatic |
C30 | CL2 | sing | 0.00Å | 1.73Å | |
C30 | C31 | doub | 0.00Å | 1.38Å | Aromatic |
C32 | C33 | sing | 0.00Å | 1.51Å | |
C34 | C35 | doub | 0.00Å | 1.39Å | Aromatic |
C2 | H1 | sing | 0.00Å | 1.08Å | |
C5 | H2 | sing | 0.00Å | 1.10Å | |
C5 | H3 | sing | 0.00Å | 1.10Å | |
C6 | H4 | sing | 0.00Å | 1.10Å | |
C6 | H5 | sing | 0.00Å | 1.10Å | |
C9 | H6 | sing | 0.00Å | 1.08Å | |
C10 | H7 | sing | 0.00Å | 1.08Å | |
C12 | H8 | sing | 0.00Å | 1.10Å | |
C12 | H9 | sing | 0.00Å | 1.10Å | |
C14 | H10 | sing | 0.00Å | 1.10Å | |
C14 | H11 | sing | 0.00Å | 1.10Å | |
C15 | H12 | sing | 0.00Å | 1.10Å | |
C15 | H13 | sing | 0.00Å | 1.10Å | |
C16 | H14 | sing | 0.00Å | 1.10Å | |
C16 | H15 | sing | 0.00Å | 1.10Å | |
C17 | H16 | sing | 0.00Å | 1.10Å | |
C17 | H17 | sing | 0.00Å | 1.10Å | |
C18 | H18 | sing | 0.00Å | 1.10Å | |
C18 | H19 | sing | 0.00Å | 1.10Å | |
C20 | H20 | sing | 0.00Å | 1.08Å | |
C21 | H21 | sing | 0.00Å | 1.08Å | |
C23 | H22 | sing | 0.00Å | 1.08Å | |
C24 | H23 | sing | 0.00Å | 1.08Å | |
C25 | H24 | sing | 0.00Å | 1.10Å | |
C25 | H25 | sing | 0.00Å | 1.10Å | |
C27 | H26 | sing | 0.00Å | 1.08Å | |
C3 | H27 | sing | 0.00Å | 1.08Å | |
N1 | H28 | sing | 0.00Å | 1.00Å | |
N2 | H29 | sing | 0.00Å | 1.00Å | |
C22 | H30 | sing | 0.00Å | 1.08Å | |
C28 | H31 | sing | 0.00Å | 1.08Å | |
C31 | H32 | sing | 0.00Å | 1.08Å | |
C32 | H33 | sing | 0.00Å | 1.10Å | |
C32 | H34 | sing | 0.00Å | 1.10Å | |
C33 | H35 | sing | 0.00Å | 1.10Å | |
C33 | H36 | sing | 0.00Å | 1.10Å | |
C34 | H37 | sing | 0.00Å | 1.08Å | |
C35 | H38 | sing | 0.00Å | 1.08Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C2 | C1 | F1 | 118.7° | 90.0° |
C2 | C1 | C35 | 123.0° | 90.0° |
C1 | C2 | C3 | 118.1° | 90.0° |
C1 | C2 | H1 | 121.0° | 90.0° |
F1 | C1 | C35 | 118.3° | 90.0° |
C1 | C35 | C34 | 118.3° | 90.0° |
C1 | C35 | H38 | 120.9° | 90.0° |
C2 | C3 | C4 | 121.4° | 90.0° |
C3 | C2 | H1 | 121.0° | 90.0° |
C2 | C3 | H27 | 119.3° | 90.0° |
C5 | C4 | C3 | 121.2° | 90.0° |
C5 | C4 | C34 | 120.7° | 90.0° |
C4 | C5 | C6 | 111.6° | 90.0° |
C4 | C5 | H2 | 108.9° | 90.0° |
C4 | C5 | H3 | 108.9° | 90.0° |
C3 | C4 | C34 | 118.0° | 90.0° |
C4 | C3 | H27 | 119.3° | 90.0° |
C4 | C34 | C35 | 121.2° | 90.0° |
C4 | C34 | H37 | 119.4° | 90.0° |
C5 | C6 | N1 | 111.4° | 90.0° |
C6 | C5 | H2 | 108.9° | 90.0° |
C6 | C5 | H3 | 108.9° | 90.0° |
C5 | C6 | H4 | 109.0° | 90.0° |
C5 | C6 | H5 | 109.0° | 90.0° |
C6 | N1 | C7 | 124.6° | 90.0° |
N1 | C6 | H4 | 109.0° | 90.0° |
N1 | C6 | H5 | 109.0° | 90.0° |
C6 | N1 | H28 | 117.7° | 90.0° |
C10 | C9 | C8 | 106.4° | 90.0° |
C9 | C10 | C11 | 107.1° | 90.0° |
C10 | C9 | H6 | 126.8° | 90.0° |
C9 | C10 | H7 | 126.5° | 90.0° |
C9 | C8 | C7 | 134.3° | 90.0° |
C9 | C8 | O2 | 109.9° | 90.0° |
C8 | C9 | H6 | 126.8° | 90.0° |
O3 | C7 | N1 | 123.1° | 90.0° |
O3 | C7 | C8 | 122.1° | 90.0° |
C10 | C11 | C12 | 134.6° | 90.0° |
C10 | C11 | O2 | 109.5° | 90.0° |
C11 | C10 | H7 | 126.4° | 90.0° |
C11 | C12 | N2 | 115.5° | 90.0° |
C12 | C11 | O2 | 115.8° | 90.0° |
C11 | C12 | H8 | 107.9° | 90.0° |
C11 | C12 | H9 | 107.9° | 90.0° |
C12 | N2 | C13 | 125.3° | 90.0° |
N2 | C12 | H8 | 107.9° | 90.0° |
N2 | C12 | H9 | 108.0° | 90.0° |
C12 | N2 | H29 | 117.3° | 90.0° |
N2 | C13 | N3 | 123.9° | 90.0° |
N2 | C13 | O1 | 118.2° | 90.0° |
C13 | N2 | H29 | 117.4° | 90.0° |
N3 | C13 | O1 | 117.9° | 90.0° |
C13 | N3 | C14 | 127.7° | 90.0° |
C13 | N3 | C33 | 118.5° | 90.0° |
C15 | C14 | N3 | 112.6° | 90.0° |
C14 | C15 | N4 | 110.5° | 90.0° |
C15 | C14 | H10 | 108.7° | 90.0° |
C15 | C14 | H11 | 108.7° | 90.0° |
C14 | C15 | H12 | 109.2° | 90.0° |
C14 | C15 | H13 | 109.2° | 90.0° |
C14 | N3 | C33 | 113.7° | 90.0° |
N3 | C14 | H10 | 108.7° | 90.0° |
N3 | C14 | H11 | 108.7° | 90.0° |
C15 | N4 | C16 | 111.9° | 90.0° |
C15 | N4 | C25 | 109.9° | 90.0° |
C15 | N4 | C32 | 105.7° | 90.0° |
N4 | C15 | H12 | 109.2° | 90.0° |
N4 | C15 | H13 | 109.2° | 90.0° |
C17 | C16 | N4 | 113.5° | 90.0° |
C16 | C17 | C18 | 112.7° | 90.0° |
C17 | C16 | H14 | 108.5° | 90.0° |
C17 | C16 | H15 | 108.5° | 90.0° |
C16 | C17 | H16 | 108.6° | 90.0° |
C16 | C17 | H17 | 108.7° | 90.0° |
C16 | N4 | C25 | 111.3° | 90.0° |
C16 | N4 | C32 | 110.1° | 90.0° |
N4 | C16 | H14 | 108.4° | 90.0° |
N4 | C16 | H15 | 108.5° | 90.0° |
C17 | C18 | C19 | 115.3° | 90.0° |
C18 | C17 | H16 | 108.7° | 90.0° |
C18 | C17 | H17 | 108.7° | 90.0° |
C17 | C18 | H18 | 108.0° | 90.0° |
C17 | C18 | H19 | 108.0° | 90.0° |
C18 | C19 | C20 | 121.1° | 90.0° |
C18 | C19 | C24 | 120.7° | 90.0° |
C19 | C18 | H18 | 108.0° | 90.0° |
C19 | C18 | H19 | 108.0° | 90.0° |
C20 | C19 | C24 | 118.2° | 90.0° |
C19 | C20 | C21 | 120.6° | 90.0° |
C19 | C20 | H20 | 119.7° | 90.0° |
C19 | C24 | C23 | 121.0° | 90.0° |
C19 | C24 | H23 | 119.5° | 90.0° |
C20 | C21 | C22 | 120.4° | 90.0° |
C21 | C20 | H20 | 119.7° | 90.0° |
C20 | C21 | H21 | 119.8° | 90.0° |
C21 | C22 | C23 | 119.6° | 90.0° |
C22 | C21 | H21 | 119.8° | 90.0° |
C21 | C22 | H30 | 120.2° | 90.0° |
C24 | C23 | C22 | 120.2° | 90.0° |
C24 | C23 | H22 | 119.9° | 90.0° |
C23 | C24 | H23 | 119.5° | 90.0° |
C22 | C23 | H22 | 119.9° | 90.0° |
C23 | C22 | H30 | 120.2° | 90.0° |
C26 | C25 | N4 | 112.6° | 90.0° |
C25 | C26 | C27 | 121.3° | 90.0° |
C25 | C26 | C31 | 119.5° | 90.0° |
C26 | C25 | H24 | 108.7° | 90.0° |
C26 | C25 | H25 | 108.7° | 90.0° |
C25 | N4 | C32 | 107.7° | 90.0° |
N4 | C25 | H24 | 108.7° | 90.0° |
N4 | C25 | H25 | 108.7° | 90.0° |
C27 | C26 | C31 | 119.2° | 90.0° |
C26 | C27 | C28 | 121.0° | 90.0° |
C26 | C27 | H26 | 119.5° | 90.0° |
C26 | C31 | C30 | 120.0° | 90.0° |
C26 | C31 | H32 | 120.0° | 90.0° |
C27 | C28 | C29 | 119.2° | 90.0° |
C28 | C27 | H26 | 119.5° | 90.0° |
C27 | C28 | H31 | 120.4° | 90.0° |
N1 | C7 | C8 | 114.7° | 90.0° |
C7 | N1 | H28 | 117.7° | 90.0° |
C7 | C8 | O2 | 115.7° | 90.0° |
C8 | O2 | C11 | 107.1° | 90.0° |
N3 | C33 | C32 | 110.7° | 90.0° |
N3 | C33 | H35 | 109.2° | 90.0° |
N3 | C33 | H36 | 109.2° | 90.0° |
N4 | C32 | C33 | 108.8° | 90.0° |
N4 | C32 | H33 | 109.7° | 90.0° |
N4 | C32 | H34 | 109.6° | 90.0° |
C28 | C29 | CL1 | 119.1° | 90.0° |
C28 | C29 | C30 | 120.3° | 90.0° |
C29 | C28 | H31 | 120.4° | 90.0° |
CL1 | C29 | C30 | 120.6° | 90.0° |
C29 | C30 | CL2 | 121.3° | 90.0° |
C29 | C30 | C31 | 120.3° | 90.0° |
CL2 | C30 | C31 | 118.4° | 90.0° |
C30 | C31 | H32 | 120.0° | 90.0° |
C33 | C32 | H33 | 109.6° | 90.0° |
C33 | C32 | H34 | 109.6° | 90.0° |
C32 | C33 | H35 | 109.1° | 90.0° |
C32 | C33 | H36 | 109.2° | 90.0° |
C35 | C34 | H37 | 119.4° | 90.0° |
C34 | C35 | H38 | 120.9° | 90.0° |
H2 | C5 | H3 | 109.5° | 90.0° |
H4 | C6 | H5 | 109.5° | 90.0° |
H8 | C12 | H9 | 109.5° | 90.0° |
H10 | C14 | H11 | 109.5° | 90.0° |
H12 | C15 | H13 | 109.5° | 90.0° |
H14 | C16 | H15 | 109.5° | 90.0° |
H16 | C17 | H17 | 109.5° | 90.0° |
H18 | C18 | H19 | 109.5° | 90.0° |
H24 | C25 | H25 | 109.5° | 90.0° |
H33 | C32 | H34 | 109.5° | 90.0° |
H35 | C33 | H36 | 109.4° | 90.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C2 | C1 | F1 | C35 | 178.1° | 90.0° |
C1 | C2 | C3 | H1 | 180.0° | 90.0° |
C1 | C2 | C3 | C4 | 0.6° | 90.0° |
C2 | C1 | C35 | C34 | 1.3° | 90.0° |
C1 | C2 | C3 | H27 | 179.4° | 90.0° |
C2 | C1 | C35 | H38 | 178.7° | 90.0° |
F1 | C1 | C2 | C3 | 178.6° | 90.0° |
F1 | C1 | C35 | C34 | 179.2° | 90.0° |
F1 | C1 | C2 | H1 | 1.3° | 90.0° |
F1 | C1 | C35 | H38 | 0.8° | 90.0° |
C35 | C1 | C2 | C3 | 0.7° | 90.0° |
C1 | C35 | C34 | C4 | 0.5° | 90.0° |
C1 | C35 | C34 | H38 | 180.0° | 90.0° |
C35 | C1 | C2 | H1 | 179.3° | 90.0° |
C1 | C35 | C34 | H37 | 179.5° | 90.0° |
C2 | C3 | C4 | C5 | 179.7° | 90.0° |
C2 | C3 | C4 | H27 | 180.0° | 90.0° |
C2 | C3 | C4 | C34 | 1.3° | 90.0° |
C5 | C4 | C3 | C34 | 179.0° | 90.0° |
C4 | C5 | C6 | H2 | 120.3° | 90.0° |
C4 | C5 | C6 | H3 | 120.3° | 90.0° |
C4 | C5 | C6 | N1 | 63.8° | 90.0° |
C5 | C4 | C34 | C35 | 179.7° | 90.0° |
C4 | C5 | H2 | H3 | 119.0° | 90.0° |
C4 | C5 | C6 | H4 | 56.5° | 90.0° |
C4 | C5 | C6 | H5 | 176.0° | 90.0° |
C5 | C4 | C3 | H27 | 0.3° | 90.0° |
C5 | C4 | C34 | H37 | 0.3° | 90.0° |
C3 | C4 | C5 | C6 | 93.4° | 90.0° |
C3 | C4 | C34 | C35 | 0.7° | 90.0° |
C4 | C3 | C2 | H1 | 179.4° | 90.0° |
C3 | C4 | C5 | H2 | 146.3° | 90.0° |
C3 | C4 | C5 | H3 | 27.0° | 90.0° |
C3 | C4 | C34 | H37 | 179.3° | 90.0° |
C34 | C4 | C5 | C6 | 85.6° | 90.0° |
C4 | C34 | C35 | H37 | 180.0° | 90.0° |
C34 | C4 | C5 | H2 | 34.7° | 90.0° |
C34 | C4 | C5 | H3 | 154.0° | 90.0° |
C34 | C4 | C3 | H27 | 178.7° | 90.0° |
C4 | C34 | C35 | H38 | 179.4° | 90.0° |
C5 | C6 | N1 | H4 | 120.3° | 90.0° |
C5 | C6 | N1 | H5 | 120.3° | 90.0° |
C5 | C6 | N1 | C7 | 97.7° | 90.0° |
C6 | C5 | H2 | H3 | 119.0° | 90.0° |
C5 | C6 | H4 | H5 | 119.1° | 90.0° |
C5 | C6 | N1 | H28 | 82.3° | 90.0° |
C6 | N1 | C7 | O3 | 2.4° | 90.0° |
C6 | N1 | C7 | H28 | 180.0° | 90.0° |
C6 | N1 | C7 | C8 | 177.7° | 90.0° |
N1 | C6 | C5 | H2 | 175.9° | 90.0° |
N1 | C6 | C5 | H3 | 56.5° | 90.0° |
N1 | C6 | H4 | H5 | 119.1° | 90.0° |
C10 | C9 | C8 | H6 | 180.0° | 90.0° |
C9 | C10 | C11 | H7 | 180.0° | 90.0° |
C9 | C10 | C11 | C12 | 179.2° | 90.0° |
C10 | C9 | C8 | C7 | 177.1° | 90.0° |
C10 | C9 | C8 | O2 | 0.2° | 90.0° |
C9 | C10 | C11 | O2 | 1.1° | 90.0° |
C9 | C8 | C7 | O3 | 7.2° | 90.0° |
C8 | C9 | C10 | C11 | 0.5° | 90.0° |
C9 | C8 | C7 | N1 | 177.4° | 90.0° |
C9 | C8 | C7 | O2 | 176.7° | 90.0° |
C9 | C8 | O2 | C11 | 0.8° | 90.0° |
C8 | C9 | C10 | H7 | 179.5° | 90.0° |
O3 | C7 | N1 | C8 | 175.4° | 90.0° |
O3 | C7 | C8 | O2 | 169.6° | 90.0° |
O3 | C7 | N1 | H28 | 177.6° | 90.0° |
C10 | C11 | C12 | O2 | 178.0° | 90.0° |
C10 | C11 | C12 | N2 | 35.0° | 90.0° |
C10 | C11 | O2 | C8 | 1.2° | 90.0° |
C11 | C10 | C9 | H6 | 179.4° | 90.0° |
C10 | C11 | C12 | H8 | 85.8° | 90.0° |
C10 | C11 | C12 | H9 | 156.0° | 90.0° |
C11 | C12 | N2 | H8 | 120.9° | 90.0° |
C11 | C12 | N2 | H9 | 120.9° | 90.0° |
C11 | C12 | N2 | C13 | 92.8° | 90.0° |
C12 | C11 | O2 | C8 | 179.7° | 90.0° |
C12 | C11 | C10 | H7 | 0.8° | 90.0° |
C11 | C12 | H8 | H9 | 117.2° | 90.0° |
C11 | C12 | N2 | H29 | 87.1° | 90.0° |
C12 | N2 | C13 | H29 | 180.0° | 90.0° |
C12 | N2 | C13 | N3 | 17.4° | 90.0° |
C12 | N2 | C13 | O1 | 164.5° | 90.0° |
N2 | C12 | C11 | O2 | 146.9° | 90.0° |
N2 | C12 | H8 | H9 | 117.3° | 90.0° |
N2 | C13 | N3 | O1 | 178.1° | 90.0° |
N2 | C13 | N3 | C14 | 25.6° | 90.0° |
N2 | C13 | N3 | C33 | 151.8° | 90.0° |
C13 | N2 | C12 | H8 | 146.3° | 90.0° |
C13 | N2 | C12 | H9 | 28.0° | 90.0° |
C13 | N3 | C14 | C15 | 133.8° | 90.0° |
C13 | N3 | C14 | C33 | 177.5° | 90.0° |
C13 | N3 | C33 | C32 | 129.9° | 90.0° |
C13 | N3 | C14 | H10 | 105.7° | 90.0° |
C13 | N3 | C14 | H11 | 13.3° | 90.0° |
N3 | C13 | N2 | H29 | 162.6° | 90.0° |
C13 | N3 | C33 | H35 | 110.0° | 90.0° |
C13 | N3 | C33 | H36 | 9.7° | 90.0° |
O1 | C13 | N3 | C14 | 152.5° | 90.0° |
O1 | C13 | N3 | C33 | 30.1° | 90.0° |
O1 | C13 | N2 | H29 | 15.5° | 90.0° |
C15 | C14 | N3 | H10 | 120.5° | 90.0° |
C15 | C14 | N3 | H11 | 120.5° | 90.0° |
C14 | C15 | N4 | H12 | 120.2° | 90.0° |
C14 | C15 | N4 | H13 | 120.1° | 90.0° |
C14 | C15 | N4 | C16 | 178.8° | 90.0° |
C14 | C15 | N4 | C25 | 54.6° | 90.0° |
C15 | C14 | N3 | C33 | 48.7° | 90.0° |
C14 | C15 | N4 | C32 | 61.3° | 90.0° |
C15 | C14 | H10 | H11 | 118.6° | 90.0° |
C14 | C15 | H12 | H13 | 119.5° | 90.0° |
N3 | C14 | C15 | N4 | 53.8° | 90.0° |
C14 | N3 | C33 | C32 | 52.4° | 90.0° |
N3 | C14 | H10 | H11 | 118.5° | 90.0° |
N3 | C14 | C15 | H12 | 66.4° | 90.0° |
N3 | C14 | C15 | H13 | 173.9° | 90.0° |
C14 | N3 | C33 | H35 | 67.8° | 90.0° |
C14 | N3 | C33 | H36 | 172.6° | 90.0° |
C15 | N4 | C16 | C17 | 114.9° | 90.0° |
C15 | N4 | C16 | C25 | 123.4° | 90.0° |
C15 | N4 | C16 | C32 | 117.2° | 90.0° |
C15 | N4 | C25 | C26 | 111.9° | 90.0° |
C15 | N4 | C25 | C32 | 114.7° | 90.0° |
C15 | N4 | C32 | C33 | 65.2° | 90.0° |
N4 | C15 | C14 | H10 | 66.7° | 90.0° |
N4 | C15 | C14 | H11 | 174.2° | 90.0° |
N4 | C15 | H12 | H13 | 119.5° | 90.0° |
C15 | N4 | C16 | H14 | 124.5° | 90.0° |
C15 | N4 | C16 | H15 | 5.7° | 90.0° |
C15 | N4 | C25 | H24 | 8.6° | 90.0° |
C15 | N4 | C25 | H25 | 127.7° | 90.0° |
C15 | N4 | C32 | H33 | 54.7° | 90.0° |
C15 | N4 | C32 | H34 | 174.9° | 90.0° |
C17 | C16 | N4 | H14 | 120.6° | 90.0° |
C17 | C16 | N4 | H15 | 120.6° | 90.0° |
C16 | C17 | C18 | H16 | 120.5° | 90.0° |
C16 | C17 | C18 | H17 | 120.5° | 90.0° |
C16 | C17 | C18 | C19 | 172.4° | 90.0° |
C17 | C16 | N4 | C25 | 121.7° | 90.0° |
C17 | C16 | N4 | C32 | 2.4° | 90.0° |
C17 | C16 | H14 | H15 | 118.2° | 90.0° |
C16 | C17 | H16 | H17 | 118.5° | 90.0° |
C16 | C17 | C18 | H18 | 66.7° | 90.0° |
C16 | C17 | C18 | H19 | 51.6° | 90.0° |
N4 | C16 | C17 | C18 | 4.1° | 90.0° |
C16 | N4 | C25 | C26 | 123.6° | 90.0° |
C16 | N4 | C25 | C32 | 120.8° | 90.0° |
C16 | N4 | C32 | C33 | 173.8° | 90.0° |
C16 | N4 | C15 | H12 | 61.0° | 90.0° |
C16 | N4 | C15 | H13 | 58.7° | 90.0° |
N4 | C16 | H14 | H15 | 118.2° | 90.0° |
N4 | C16 | C17 | H16 | 116.3° | 90.0° |
N4 | C16 | C17 | H17 | 124.6° | 90.0° |
C16 | N4 | C25 | H24 | 115.9° | 90.0° |
C16 | N4 | C25 | H25 | 3.1° | 90.0° |
C16 | N4 | C32 | H33 | 66.3° | 90.0° |
C16 | N4 | C32 | H34 | 53.9° | 90.0° |
C17 | C18 | C19 | H18 | 120.8° | 90.0° |
C17 | C18 | C19 | H19 | 120.9° | 90.0° |
C17 | C18 | C19 | C20 | 31.4° | 90.0° |
C17 | C18 | C19 | C24 | 149.2° | 90.0° |
C18 | C17 | C16 | H14 | 116.4° | 90.0° |
C18 | C17 | C16 | H15 | 124.8° | 90.0° |
C18 | C17 | H16 | H17 | 118.5° | 90.0° |
C17 | C18 | H18 | H19 | 117.3° | 90.0° |
C18 | C19 | C20 | C24 | 179.4° | 90.0° |
C18 | C19 | C20 | C21 | 179.6° | 90.0° |
C18 | C19 | C24 | C23 | 179.6° | 90.0° |
C19 | C18 | C17 | H16 | 52.0° | 90.0° |
C19 | C18 | C17 | H17 | 67.1° | 90.0° |
C19 | C18 | H18 | H19 | 117.4° | 90.0° |
C18 | C19 | C20 | H20 | 0.4° | 90.0° |
C18 | C19 | C24 | H23 | 0.4° | 90.0° |
C19 | C20 | C21 | H20 | 180.0° | 90.0° |
C19 | C20 | C21 | C22 | 0.2° | 90.0° |
C20 | C19 | C24 | C23 | 0.2° | 90.0° |
C20 | C19 | C18 | H18 | 89.5° | 90.0° |
C20 | C19 | C18 | H19 | 152.2° | 90.0° |
C19 | C20 | C21 | H21 | 179.8° | 90.0° |
C20 | C19 | C24 | H23 | 179.8° | 90.0° |
C24 | C19 | C20 | C21 | 0.2° | 90.0° |
C19 | C24 | C23 | H23 | 180.0° | 90.0° |
C19 | C24 | C23 | C22 | 0.2° | 90.0° |
C24 | C19 | C18 | H18 | 89.9° | 90.0° |
C24 | C19 | C18 | H19 | 28.4° | 90.0° |
C24 | C19 | C20 | H20 | 179.8° | 90.0° |
C19 | C24 | C23 | H22 | 179.8° | 90.0° |
C20 | C21 | C22 | H21 | 180.0° | 90.0° |
C20 | C21 | C22 | C23 | 0.2° | 90.0° |
C20 | C21 | C22 | H30 | 179.8° | 90.0° |
C21 | C22 | C23 | C24 | 0.2° | 90.0° |
C21 | C22 | C23 | H30 | 180.0° | 90.0° |
C22 | C21 | C20 | H20 | 179.8° | 90.0° |
C21 | C22 | C23 | H22 | 179.8° | 90.0° |
C24 | C23 | C22 | H22 | 180.0° | 90.0° |
C24 | C23 | C22 | H30 | 179.8° | 90.0° |
C23 | C22 | C21 | H21 | 179.8° | 90.0° |
C22 | C23 | C24 | H23 | 179.8° | 90.0° |
C26 | C25 | N4 | H24 | 120.5° | 90.0° |
C26 | C25 | N4 | H25 | 120.5° | 90.0° |
C25 | C26 | C27 | C31 | 177.0° | 90.0° |
C25 | C26 | C27 | C28 | 178.6° | 90.0° |
C26 | C25 | N4 | C32 | 2.8° | 90.0° |
C25 | C26 | C31 | C30 | 178.7° | 90.0° |
C26 | C25 | H24 | H25 | 118.6° | 90.0° |
C25 | C26 | C27 | H26 | 1.4° | 90.0° |
C25 | C26 | C31 | H32 | 1.4° | 90.0° |
N4 | C25 | C26 | C27 | 100.7° | 90.0° |
N4 | C25 | C26 | C31 | 76.3° | 90.0° |
C25 | N4 | C32 | C33 | 52.3° | 90.0° |
C25 | N4 | C15 | H12 | 174.8° | 90.0° |
C25 | N4 | C15 | H13 | 65.5° | 90.0° |
C25 | N4 | C16 | H14 | 1.1° | 90.0° |
C25 | N4 | C16 | H15 | 117.7° | 90.0° |
N4 | C25 | H24 | H25 | 118.6° | 90.0° |
C25 | N4 | C32 | H33 | 172.2° | 90.0° |
C25 | N4 | C32 | H34 | 67.6° | 90.0° |
C26 | C27 | C28 | H26 | 180.0° | 90.0° |
C26 | C27 | C28 | C29 | 0.8° | 90.0° |
C27 | C26 | C31 | C30 | 1.6° | 90.0° |
C27 | C26 | C25 | H24 | 19.8° | 90.0° |
C27 | C26 | C25 | H25 | 138.8° | 90.0° |
C26 | C27 | C28 | H31 | 179.2° | 90.0° |
C27 | C26 | C31 | H32 | 178.5° | 90.0° |
C31 | C26 | C27 | C28 | 1.5° | 90.0° |
C26 | C31 | C30 | C29 | 0.9° | 90.0° |
C26 | C31 | C30 | CL2 | 178.9° | 90.0° |
C26 | C31 | C30 | H32 | 180.0° | 90.0° |
C31 | C26 | C25 | H24 | 163.2° | 90.0° |
C31 | C26 | C25 | H25 | 44.1° | 90.0° |
C31 | C26 | C27 | H26 | 178.5° | 90.0° |
C27 | C28 | C29 | H31 | 180.0° | 90.0° |
C27 | C28 | C29 | CL1 | 179.9° | 90.0° |
C27 | C28 | C29 | C30 | 0.1° | 90.0° |
N1 | C7 | C8 | O2 | 5.9° | 90.0° |
C7 | N1 | C6 | H4 | 22.6° | 90.0° |
C7 | N1 | C6 | H5 | 142.0° | 90.0° |
C7 | C8 | O2 | C11 | 178.4° | 90.0° |
C7 | C8 | C9 | H6 | 2.9° | 90.0° |
C8 | C7 | N1 | H28 | 2.2° | 90.0° |
O2 | C8 | C9 | H6 | 179.8° | 90.0° |
O2 | C11 | C10 | H7 | 178.9° | 90.0° |
O2 | C11 | C12 | H8 | 92.2° | 90.0° |
O2 | C11 | C12 | H9 | 26.0° | 90.0° |
N3 | C33 | C32 | N4 | 61.4° | 90.0° |
N3 | C33 | C32 | H35 | 120.2° | 90.0° |
N3 | C33 | C32 | H36 | 120.2° | 90.0° |
C33 | N3 | C14 | H10 | 71.7° | 90.0° |
C33 | N3 | C14 | H11 | 169.2° | 90.0° |
N3 | C33 | C32 | H33 | 58.5° | 90.0° |
N3 | C33 | C32 | H34 | 178.7° | 90.0° |
N3 | C33 | H35 | H36 | 119.5° | 90.0° |
N4 | C32 | C33 | H33 | 119.9° | 90.0° |
N4 | C32 | C33 | H34 | 119.9° | 90.0° |
C32 | N4 | C15 | H12 | 58.9° | 90.0° |
C32 | N4 | C15 | H13 | 178.6° | 90.0° |
C32 | N4 | C16 | H14 | 118.2° | 90.0° |
C32 | N4 | C16 | H15 | 123.0° | 90.0° |
C32 | N4 | C25 | H24 | 123.3° | 90.0° |
C32 | N4 | C25 | H25 | 117.7° | 90.0° |
N4 | C32 | H33 | H34 | 120.3° | 90.0° |
N4 | C32 | C33 | H35 | 58.8° | 90.0° |
N4 | C32 | C33 | H36 | 178.4° | 90.0° |
C28 | C29 | CL1 | C30 | 179.9° | 90.0° |
C28 | C29 | C30 | CL2 | 179.6° | 90.0° |
C28 | C29 | C30 | C31 | 0.1° | 90.0° |
C29 | C28 | C27 | H26 | 179.2° | 90.0° |
CL1 | C29 | C30 | CL2 | 0.3° | 90.0° |
CL1 | C29 | C30 | C31 | 180.0° | 90.0° |
CL1 | C29 | C28 | H31 | 0.1° | 90.0° |
C29 | C30 | CL2 | C31 | 179.7° | 90.0° |
C30 | C29 | C28 | H31 | 179.9° | 90.0° |
C29 | C30 | C31 | H32 | 179.1° | 90.0° |
CL2 | C30 | C31 | H32 | 1.1° | 90.0° |
C33 | C32 | H33 | H34 | 120.3° | 90.0° |
C32 | C33 | H35 | H36 | 119.4° | 90.0° |
H1 | C2 | C3 | H27 | 0.6° | 90.0° |
H2 | C5 | C6 | H4 | 63.8° | 90.0° |
H2 | C5 | C6 | H5 | 55.6° | 90.0° |
H3 | C5 | C6 | H4 | 176.8° | 90.0° |
H3 | C5 | C6 | H5 | 63.7° | 90.0° |
H4 | C6 | N1 | H28 | 157.4° | 90.0° |
H5 | C6 | N1 | H28 | 38.0° | 90.0° |
H6 | C9 | C10 | H7 | 0.5° | 90.0° |
H8 | C12 | N2 | H29 | 33.7° | 90.0° |
H9 | C12 | N2 | H29 | 152.0° | 90.0° |
H10 | C14 | C15 | H12 | 173.1° | 90.0° |
H10 | C14 | C15 | H13 | 53.4° | 90.0° |
H11 | C14 | C15 | H12 | 54.0° | 90.0° |
H11 | C14 | C15 | H13 | 65.7° | 90.0° |
H14 | C16 | C17 | H16 | 123.1° | 90.0° |
H14 | C16 | C17 | H17 | 4.1° | 90.0° |
H15 | C16 | C17 | H16 | 4.3° | 90.0° |
H15 | C16 | C17 | H17 | 114.7° | 90.0° |
H16 | C17 | C18 | H18 | 172.9° | 90.0° |
H16 | C17 | C18 | H19 | 68.9° | 90.0° |
H17 | C17 | C18 | H18 | 53.8° | 90.0° |
H17 | C17 | C18 | H19 | 172.1° | 90.0° |
H20 | C20 | C21 | H21 | 0.2° | 90.0° |
H21 | C21 | C22 | H30 | 0.2° | 90.0° |
H22 | C23 | C24 | H23 | 0.2° | 90.0° |
H22 | C23 | C22 | H30 | 0.2° | 90.0° |
H26 | C27 | C28 | H31 | 0.8° | 90.0° |
H33 | C32 | C33 | H35 | 178.7° | 90.0° |
H33 | C32 | C33 | H36 | 61.7° | 90.0° |
H34 | C32 | C33 | H35 | 61.1° | 90.0° |
H34 | C32 | C33 | H36 | 58.5° | 90.0° |
H37 | C34 | C35 | H38 | 0.5° | 90.0° |