OEK
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C23 | C24 | sing | 0.00Å | 1.51Å | |
C23 | C22 | sing | 0.00Å | 1.52Å | |
C18 | C17 | sing | 0.00Å | 1.50Å | |
C18 | O1 | sing | 0.00Å | 1.42Å | |
C21 | C22 | sing | 0.00Å | 1.52Å | |
C21 | C20 | sing | 0.00Å | 1.52Å | |
O | C17 | sing | 0.00Å | 1.42Å | |
O | C16 | sing | 0.00Å | 1.42Å | |
O1 | C19 | sing | 0.00Å | 1.42Å | |
C15 | C16 | sing | 0.00Å | 1.50Å | |
C15 | N1 | sing | 0.00Å | 1.45Å | |
C19 | C20 | sing | 0.00Å | 1.51Å | |
N1 | C14 | sing | 0.00Å | 1.33Å | |
C25 | C26 | doub | 0.00Å | 1.38Å | Aromatic |
C25 | C13 | sing | 0.00Å | 1.39Å | Aromatic |
C14 | O2 | doub | 0.00Å | 1.23Å | |
C14 | C13 | sing | 0.00Å | 1.49Å | |
C26 | C27 | sing | 0.00Å | 1.40Å | Aromatic |
C13 | C12 | doub | 0.00Å | 1.39Å | Aromatic |
O3 | C28 | doub | 0.00Å | 1.25Å | |
C27 | C28 | sing | 0.00Å | 1.51Å | |
C27 | C11 | doub | 0.00Å | 1.41Å | Aromatic |
C12 | C11 | sing | 0.00Å | 1.40Å | Aromatic |
C28 | O4 | sing | 0.00Å | 1.26Å | |
C11 | C10 | sing | 0.00Å | 1.50Å | |
C30 | C31 | doub | 0.00Å | 1.38Å | |
C30 | C29 | sing | 0.00Å | 1.42Å | |
C10 | C29 | doub | 0.00Å | 1.38Å | |
C10 | C9 | sing | 0.00Å | 1.47Å | |
C8 | C9 | doub | 0.00Å | 1.39Å | Aromatic |
C8 | C7 | sing | 0.00Å | 1.38Å | Aromatic |
C31 | C35 | sing | 0.00Å | 1.40Å | |
C29 | C33 | sing | 0.00Å | 1.43Å | |
C9 | C2 | sing | 0.00Å | 1.40Å | Aromatic |
C7 | C4 | doub | 0.00Å | 1.39Å | Aromatic |
C36 | N2 | sing | 0.00Å | 1.46Å | |
C35 | N2 | doub | 0.00Å | 1.38Å | |
C35 | C34 | sing | 0.00Å | 1.41Å | |
C33 | C34 | doub | 0.00Å | 1.39Å | |
C33 | C1 | sing | 0.00Å | 1.53Å | |
C2 | C3 | doub | 0.00Å | 1.39Å | Aromatic |
C2 | C1 | sing | 0.00Å | 1.53Å | |
C4 | C3 | sing | 0.00Å | 1.40Å | Aromatic |
C4 | N | sing | 0.00Å | 1.36Å | |
N2 | C37 | sing | 0.00Å | 1.45Å | |
C6 | N | sing | 0.00Å | 1.45Å | |
C1 | C32 | sing | 0.00Å | 1.54Å | |
C1 | C | sing | 0.00Å | 1.54Å | |
N | C5 | sing | 0.00Å | 1.45Å | |
N1 | H1 | sing | 0.00Å | 1.00Å | |
C3 | H2 | sing | 0.00Å | 1.08Å | |
C5 | H3 | sing | 0.00Å | 1.10Å | |
C5 | H4 | sing | 0.00Å | 1.10Å | |
C5 | H5 | sing | 0.00Å | 1.10Å | |
C6 | H6 | sing | 0.00Å | 1.10Å | |
C6 | H7 | sing | 0.00Å | 1.10Å | |
C6 | H8 | sing | 0.00Å | 1.10Å | |
C | H9 | sing | 0.00Å | 1.10Å | |
C | H10 | sing | 0.00Å | 1.10Å | |
C | H11 | sing | 0.00Å | 1.10Å | |
C12 | H13 | sing | 0.00Å | 1.08Å | |
C15 | H14 | sing | 0.00Å | 1.10Å | |
C15 | H15 | sing | 0.00Å | 1.10Å | |
C16 | H16 | sing | 0.00Å | 1.10Å | |
C16 | H17 | sing | 0.00Å | 1.10Å | |
C17 | H18 | sing | 0.00Å | 1.10Å | |
C17 | H19 | sing | 0.00Å | 1.10Å | |
C18 | H20 | sing | 0.00Å | 1.10Å | |
C18 | H21 | sing | 0.00Å | 1.10Å | |
C19 | H22 | sing | 0.00Å | 1.10Å | |
C19 | H23 | sing | 0.00Å | 1.10Å | |
C20 | H24 | sing | 0.00Å | 1.10Å | |
C20 | H25 | sing | 0.00Å | 1.10Å | |
C21 | H26 | sing | 0.00Å | 1.10Å | |
C21 | H27 | sing | 0.00Å | 1.10Å | |
C22 | H28 | sing | 0.00Å | 1.10Å | |
C22 | H29 | sing | 0.00Å | 1.10Å | |
C23 | H30 | sing | 0.00Å | 1.10Å | |
C23 | H31 | sing | 0.00Å | 1.10Å | |
C24 | H32 | sing | 0.00Å | 1.10Å | |
C24 | H33 | sing | 0.00Å | 1.10Å | |
C25 | H35 | sing | 0.00Å | 1.08Å | |
C26 | H36 | sing | 0.00Å | 1.08Å | |
C30 | H37 | sing | 0.00Å | 1.08Å | |
C31 | H38 | sing | 0.00Å | 1.08Å | |
C32 | H39 | sing | 0.00Å | 1.10Å | |
C32 | H40 | sing | 0.00Å | 1.10Å | |
C32 | H41 | sing | 0.00Å | 1.10Å | |
C34 | H42 | sing | 0.00Å | 1.08Å | |
C36 | H43 | sing | 0.00Å | 1.10Å | |
C36 | H44 | sing | 0.00Å | 1.10Å | |
C36 | H45 | sing | 0.00Å | 1.10Å | |
C37 | H46 | sing | 0.00Å | 1.10Å | |
C37 | H47 | sing | 0.00Å | 1.10Å | |
C37 | H48 | sing | 0.00Å | 1.10Å | |
C7 | H49 | sing | 0.00Å | 1.08Å | |
C8 | H50 | sing | 0.00Å | 1.08Å | |
O4 | H51 | sing | 0.00Å | 0.95Å | |
C24 | CL1 | sing | 0.00Å | 1.38Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C24 | C23 | C22 | 113.3° | 90.0° |
C24 | C23 | H30 | 108.5° | 90.0° |
C24 | C23 | H31 | 108.5° | 90.0° |
C23 | C24 | H32 | 109.0° | 90.0° |
C23 | C24 | H33 | 109.0° | 90.0° |
C23 | C24 | CL1 | 111.4° | 90.0° |
C23 | C22 | C21 | 114.2° | 90.0° |
C23 | C22 | H28 | 108.3° | 90.0° |
C23 | C22 | H29 | 108.3° | 90.0° |
C22 | C23 | H30 | 108.5° | 90.0° |
C22 | C23 | H31 | 108.5° | 90.0° |
C17 | C18 | O1 | 109.8° | 90.0° |
C18 | C17 | O | 109.2° | 90.0° |
C18 | C17 | H18 | 109.6° | 90.0° |
C18 | C17 | H19 | 109.5° | 90.0° |
C17 | C18 | H20 | 109.4° | 90.0° |
C17 | C18 | H21 | 109.4° | 90.0° |
C18 | O1 | C19 | 113.0° | 90.0° |
O1 | C18 | H20 | 109.4° | 90.0° |
O1 | C18 | H21 | 109.4° | 90.0° |
C22 | C21 | C20 | 113.7° | 90.0° |
C22 | C21 | H26 | 108.4° | 90.0° |
C22 | C21 | H27 | 108.4° | 90.0° |
C21 | C22 | H28 | 108.3° | 90.0° |
C21 | C22 | H29 | 108.3° | 90.0° |
C21 | C20 | C19 | 113.6° | 90.0° |
C21 | C20 | H24 | 108.4° | 90.0° |
C21 | C20 | H25 | 108.4° | 90.0° |
C20 | C21 | H26 | 108.4° | 90.0° |
C20 | C21 | H27 | 108.4° | 90.0° |
C17 | O | C16 | 113.0° | 90.0° |
O | C17 | H18 | 109.5° | 90.0° |
O | C17 | H19 | 109.5° | 90.0° |
O | C16 | C15 | 109.4° | 90.0° |
O | C16 | H16 | 109.5° | 90.0° |
O | C16 | H17 | 109.5° | 90.0° |
O1 | C19 | C20 | 109.1° | 90.0° |
O1 | C19 | H22 | 109.6° | 90.0° |
O1 | C19 | H23 | 109.5° | 90.0° |
C16 | C15 | N1 | 111.1° | 90.0° |
C16 | C15 | H14 | 109.0° | 90.0° |
C16 | C15 | H15 | 109.1° | 90.0° |
C15 | C16 | H16 | 109.5° | 90.0° |
C15 | C16 | H17 | 109.5° | 90.0° |
C15 | N1 | C14 | 122.0° | 90.0° |
C15 | N1 | H1 | 119.0° | 90.0° |
N1 | C15 | H14 | 109.1° | 90.0° |
N1 | C15 | H15 | 109.1° | 90.0° |
C20 | C19 | H22 | 109.6° | 90.0° |
C20 | C19 | H23 | 109.6° | 90.0° |
C19 | C20 | H24 | 108.4° | 90.0° |
C19 | C20 | H25 | 108.4° | 90.0° |
N1 | C14 | O2 | 122.4° | 90.0° |
N1 | C14 | C13 | 116.8° | 90.0° |
C14 | N1 | H1 | 119.0° | 90.0° |
C26 | C25 | C13 | 120.6° | 90.0° |
C25 | C26 | C27 | 120.9° | 90.0° |
C26 | C25 | H35 | 119.7° | 90.0° |
C25 | C26 | H36 | 119.6° | 90.0° |
C25 | C13 | C14 | 121.8° | 90.0° |
C25 | C13 | C12 | 119.2° | 90.0° |
C13 | C25 | H35 | 119.7° | 90.0° |
O2 | C14 | C13 | 120.8° | 90.0° |
C14 | C13 | C12 | 119.0° | 90.0° |
C26 | C27 | C28 | 115.2° | 90.0° |
C26 | C27 | C11 | 119.1° | 90.0° |
C27 | C26 | H36 | 119.6° | 90.0° |
C13 | C12 | C11 | 121.1° | 90.0° |
C13 | C12 | H13 | 119.5° | 90.0° |
O3 | C28 | C27 | 117.7° | 90.0° |
O3 | C28 | O4 | 123.8° | 90.0° |
C28 | C27 | C11 | 125.6° | 90.0° |
C27 | C28 | O4 | 118.6° | 90.0° |
C27 | C11 | C12 | 119.1° | 90.0° |
C27 | C11 | C10 | 123.1° | 90.0° |
C12 | C11 | C10 | 117.7° | 90.0° |
C11 | C12 | H13 | 119.5° | 90.0° |
C28 | O4 | H51 | 109.5° | 90.0° |
C11 | C10 | C29 | 121.5° | 90.0° |
C11 | C10 | C9 | 116.4° | 90.0° |
C31 | C30 | C29 | 121.1° | 90.0° |
C30 | C31 | C35 | 120.9° | 90.0° |
C31 | C30 | H37 | 119.4° | 90.0° |
C30 | C31 | H38 | 119.5° | 90.0° |
C30 | C29 | C10 | 120.8° | 90.0° |
C30 | C29 | C33 | 118.3° | 90.0° |
C29 | C30 | H37 | 119.4° | 90.0° |
C29 | C10 | C9 | 122.1° | 90.0° |
C10 | C29 | C33 | 120.9° | 90.0° |
C10 | C9 | C8 | 121.3° | 90.0° |
C10 | C9 | C2 | 119.3° | 90.0° |
C9 | C8 | C7 | 121.0° | 90.0° |
C8 | C9 | C2 | 119.4° | 90.0° |
C9 | C8 | H50 | 119.5° | 90.0° |
C8 | C7 | C4 | 120.7° | 90.0° |
C8 | C7 | H49 | 119.7° | 90.0° |
C7 | C8 | H50 | 119.5° | 90.0° |
C31 | C35 | N2 | 120.8° | 90.0° |
C31 | C35 | C34 | 118.5° | 90.0° |
C35 | C31 | H38 | 119.5° | 90.0° |
C29 | C33 | C34 | 119.2° | 90.0° |
C29 | C33 | C1 | 121.6° | 90.0° |
C9 | C2 | C3 | 118.9° | 90.0° |
C9 | C2 | C1 | 122.5° | 90.0° |
C7 | C4 | C3 | 118.3° | 90.0° |
C7 | C4 | N | 120.8° | 90.0° |
C4 | C7 | H49 | 119.7° | 90.0° |
C36 | N2 | C35 | 120.4° | 90.0° |
C36 | N2 | C37 | 114.4° | 90.0° |
N2 | C36 | H43 | 109.5° | 90.0° |
N2 | C36 | H44 | 109.5° | 90.0° |
N2 | C36 | H45 | 109.5° | 90.0° |
N2 | C35 | C34 | 120.6° | 90.0° |
C35 | N2 | C37 | 120.4° | 90.0° |
C35 | C34 | C33 | 121.9° | 90.0° |
C35 | C34 | H42 | 119.0° | 90.0° |
C34 | C33 | C1 | 119.2° | 90.0° |
C33 | C34 | H42 | 119.1° | 90.0° |
C33 | C1 | C2 | 113.6° | 90.0° |
C33 | C1 | C32 | 108.6° | 90.0° |
C33 | C1 | C | 108.7° | 90.0° |
C3 | C2 | C1 | 118.7° | 90.0° |
C2 | C3 | C4 | 121.8° | 90.0° |
C2 | C3 | H2 | 119.1° | 90.0° |
C2 | C1 | C32 | 108.8° | 90.0° |
C2 | C1 | C | 108.6° | 90.0° |
C3 | C4 | N | 120.9° | 90.0° |
C4 | C3 | H2 | 119.1° | 90.0° |
C4 | N | C6 | 119.8° | 90.0° |
C4 | N | C5 | 120.1° | 90.0° |
N2 | C37 | H46 | 109.5° | 90.0° |
N2 | C37 | H47 | 109.5° | 90.0° |
N2 | C37 | H48 | 109.4° | 90.0° |
C6 | N | C5 | 114.4° | 90.0° |
N | C6 | H6 | 109.5° | 90.0° |
N | C6 | H7 | 109.5° | 90.0° |
N | C6 | H8 | 109.5° | 90.0° |
C32 | C1 | C | 108.6° | 90.0° |
C1 | C32 | H39 | 109.5° | 90.0° |
C1 | C32 | H40 | 109.5° | 90.0° |
C1 | C32 | H41 | 109.5° | 90.0° |
C1 | C | H9 | 109.5° | 90.0° |
C1 | C | H10 | 109.5° | 90.0° |
C1 | C | H11 | 109.5° | 90.0° |
N | C5 | H3 | 109.5° | 90.0° |
N | C5 | H4 | 109.5° | 90.0° |
N | C5 | H5 | 109.4° | 90.0° |
H3 | C5 | H4 | 109.5° | 90.0° |
H3 | C5 | H5 | 109.5° | 90.0° |
H4 | C5 | H5 | 109.5° | 90.0° |
H6 | C6 | H7 | 109.4° | 90.0° |
H6 | C6 | H8 | 109.4° | 90.0° |
H7 | C6 | H8 | 109.5° | 90.0° |
H9 | C | H10 | 109.5° | 90.0° |
H9 | C | H11 | 109.5° | 90.0° |
H10 | C | H11 | 109.4° | 90.0° |
H14 | C15 | H15 | 109.5° | 90.0° |
H16 | C16 | H17 | 109.4° | 90.0° |
H18 | C17 | H19 | 109.5° | 90.0° |
H20 | C18 | H21 | 109.4° | 90.0° |
H22 | C19 | H23 | 109.5° | 90.0° |
H24 | C20 | H25 | 109.5° | 90.0° |
H26 | C21 | H27 | 109.4° | 90.0° |
H28 | C22 | H29 | 109.5° | 90.0° |
H30 | C23 | H31 | 109.5° | 90.0° |
H32 | C24 | H33 | 109.5° | 90.0° |
H32 | C24 | CL1 | 109.0° | 90.0° |
H33 | C24 | CL1 | 109.0° | 90.0° |
H39 | C32 | H40 | 109.4° | 90.0° |
H39 | C32 | H41 | 109.5° | 90.0° |
H40 | C32 | H41 | 109.5° | 90.0° |
H43 | C36 | H44 | 109.4° | 90.0° |
H43 | C36 | H45 | 109.4° | 90.0° |
H44 | C36 | H45 | 109.5° | 90.0° |
H46 | C37 | H47 | 109.5° | 90.0° |
H46 | C37 | H48 | 109.5° | 90.0° |
H47 | C37 | H48 | 109.5° | 90.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C24 | C23 | C22 | H30 | 120.6° | 90.0° |
C24 | C23 | C22 | H31 | 120.6° | 90.0° |
C24 | C23 | C22 | C21 | 166.1° | 90.0° |
C24 | C23 | C22 | H28 | 45.4° | 90.0° |
C24 | C23 | C22 | H29 | 73.2° | 90.0° |
C24 | C23 | H30 | H31 | 118.3° | 90.0° |
C23 | C24 | H32 | H33 | 119.1° | 90.0° |
C23 | C24 | H32 | CL1 | 121.8° | 90.0° |
C23 | C24 | H33 | CL1 | 121.8° | 90.0° |
C23 | C22 | C21 | H28 | 120.7° | 90.0° |
C23 | C22 | C21 | H29 | 120.7° | 90.0° |
C23 | C22 | C21 | C20 | 173.5° | 90.0° |
C23 | C22 | C21 | H26 | 65.9° | 90.0° |
C23 | C22 | C21 | H27 | 52.8° | 90.0° |
C23 | C22 | H28 | H29 | 117.8° | 90.0° |
C22 | C23 | H30 | H31 | 118.2° | 90.0° |
C22 | C23 | C24 | H32 | 165.5° | 90.0° |
C22 | C23 | C24 | H33 | 46.1° | 90.0° |
C22 | C23 | C24 | CL1 | 74.2° | 90.0° |
C17 | C18 | O1 | H20 | 120.1° | 90.0° |
C17 | C18 | O1 | H21 | 120.1° | 90.0° |
C18 | C17 | O | H18 | 120.0° | 90.0° |
C18 | C17 | O | H19 | 119.9° | 90.0° |
C18 | C17 | O | C16 | 172.7° | 90.0° |
C17 | C18 | O1 | C19 | 104.0° | 90.0° |
C18 | C17 | H18 | H19 | 120.1° | 90.0° |
C17 | C18 | H20 | H21 | 119.9° | 90.0° |
O1 | C18 | C17 | O | 74.8° | 90.0° |
C18 | O1 | C19 | C20 | 154.5° | 90.0° |
O1 | C18 | C17 | H18 | 165.3° | 90.0° |
O1 | C18 | C17 | H19 | 45.2° | 90.0° |
O1 | C18 | H20 | H21 | 119.8° | 90.0° |
C18 | O1 | C19 | H22 | 85.5° | 90.0° |
C18 | O1 | C19 | H23 | 34.6° | 90.0° |
C22 | C21 | C20 | H26 | 120.6° | 90.0° |
C22 | C21 | C20 | H27 | 120.6° | 90.0° |
C22 | C21 | C20 | C19 | 172.3° | 90.0° |
C22 | C21 | C20 | H24 | 51.8° | 90.0° |
C22 | C21 | C20 | H25 | 67.1° | 90.0° |
C22 | C21 | H26 | H27 | 118.0° | 90.0° |
C21 | C22 | H28 | H29 | 117.8° | 90.0° |
C21 | C22 | C23 | H30 | 73.3° | 90.0° |
C21 | C22 | C23 | H31 | 45.5° | 90.0° |
C21 | C20 | C19 | O1 | 54.1° | 90.0° |
C21 | C20 | C19 | H24 | 120.6° | 90.0° |
C21 | C20 | C19 | H25 | 120.6° | 90.0° |
C21 | C20 | C19 | H22 | 174.1° | 90.0° |
C21 | C20 | C19 | H23 | 65.8° | 90.0° |
C21 | C20 | H24 | H25 | 118.1° | 90.0° |
C20 | C21 | H26 | H27 | 118.1° | 90.0° |
C20 | C21 | C22 | H28 | 52.8° | 90.0° |
C20 | C21 | C22 | H29 | 65.8° | 90.0° |
C17 | O | C16 | C15 | 179.9° | 90.0° |
C17 | O | C16 | H16 | 59.9° | 90.0° |
C17 | O | C16 | H17 | 60.1° | 90.0° |
O | C17 | H18 | H19 | 120.1° | 90.0° |
O | C17 | C18 | H20 | 165.2° | 90.0° |
O | C17 | C18 | H21 | 45.3° | 90.0° |
O | C16 | C15 | H16 | 120.0° | 90.0° |
O | C16 | C15 | H17 | 120.0° | 90.0° |
O | C16 | C15 | N1 | 177.3° | 90.0° |
O | C16 | C15 | H14 | 62.4° | 90.0° |
O | C16 | C15 | H15 | 57.1° | 90.0° |
O | C16 | H16 | H17 | 120.0° | 90.0° |
C16 | O | C17 | H18 | 67.3° | 90.0° |
C16 | O | C17 | H19 | 52.7° | 90.0° |
O1 | C19 | C20 | H22 | 119.9° | 90.0° |
O1 | C19 | C20 | H23 | 119.9° | 90.0° |
C19 | O1 | C18 | H20 | 16.1° | 90.0° |
C19 | O1 | C18 | H21 | 136.0° | 90.0° |
O1 | C19 | H22 | H23 | 120.1° | 90.0° |
O1 | C19 | C20 | H24 | 174.7° | 90.0° |
O1 | C19 | C20 | H25 | 66.5° | 90.0° |
C16 | C15 | N1 | H14 | 120.3° | 90.0° |
C16 | C15 | N1 | H15 | 120.2° | 90.0° |
C16 | C15 | N1 | C14 | 88.0° | 90.0° |
C16 | C15 | N1 | H1 | 92.0° | 90.0° |
C16 | C15 | H14 | H15 | 119.2° | 90.0° |
C15 | C16 | H16 | H17 | 120.0° | 90.0° |
C15 | N1 | C14 | H1 | 180.0° | 90.0° |
C15 | N1 | C14 | O2 | 1.5° | 90.0° |
C15 | N1 | C14 | C13 | 177.5° | 90.0° |
N1 | C15 | H14 | H15 | 119.3° | 90.0° |
N1 | C15 | C16 | H16 | 57.3° | 90.0° |
N1 | C15 | C16 | H17 | 62.7° | 90.0° |
C20 | C19 | H22 | H23 | 120.2° | 90.0° |
C19 | C20 | H24 | H25 | 118.1° | 90.0° |
C19 | C20 | C21 | H26 | 67.0° | 90.0° |
C19 | C20 | C21 | H27 | 51.7° | 90.0° |
N1 | C14 | C13 | C25 | 34.0° | 90.0° |
N1 | C14 | O2 | C13 | 179.0° | 90.0° |
N1 | C14 | C13 | C12 | 146.8° | 90.0° |
C14 | N1 | C15 | H14 | 32.3° | 90.0° |
C14 | N1 | C15 | H15 | 151.8° | 90.0° |
C26 | C25 | C13 | H35 | 180.0° | 90.0° |
C26 | C25 | C13 | C14 | 179.3° | 90.0° |
C25 | C26 | C27 | H36 | 180.0° | 90.0° |
C26 | C25 | C13 | C12 | 0.1° | 90.0° |
C25 | C26 | C27 | C28 | 179.6° | 90.0° |
C25 | C26 | C27 | C11 | 0.2° | 90.0° |
C25 | C13 | C14 | O2 | 146.9° | 90.0° |
C25 | C13 | C14 | C12 | 179.2° | 90.0° |
C13 | C25 | C26 | C27 | 0.1° | 90.0° |
C25 | C13 | C12 | C11 | 0.2° | 90.0° |
C25 | C13 | C12 | H13 | 179.8° | 90.0° |
C13 | C25 | C26 | H36 | 179.9° | 90.0° |
O2 | C14 | C13 | C12 | 32.3° | 90.0° |
O2 | C14 | N1 | H1 | 178.6° | 90.0° |
C14 | C13 | C12 | C11 | 179.1° | 90.0° |
C13 | C14 | N1 | H1 | 2.4° | 90.0° |
C14 | C13 | C12 | H13 | 0.9° | 90.0° |
C14 | C13 | C25 | H35 | 0.7° | 90.0° |
C26 | C27 | C28 | O3 | 2.3° | 90.0° |
C26 | C27 | C28 | C11 | 179.4° | 90.0° |
C26 | C27 | C11 | C12 | 0.5° | 90.0° |
C26 | C27 | C28 | O4 | 178.9° | 90.0° |
C26 | C27 | C11 | C10 | 176.1° | 90.0° |
C27 | C26 | C25 | H35 | 179.9° | 90.0° |
C13 | C12 | C11 | C27 | 0.4° | 90.0° |
C13 | C12 | C11 | H13 | 180.0° | 90.0° |
C13 | C12 | C11 | C10 | 176.3° | 90.0° |
C12 | C13 | C25 | H35 | 179.9° | 90.0° |
O3 | C28 | C27 | O4 | 178.7° | 90.0° |
O3 | C28 | C27 | C11 | 177.0° | 90.0° |
O3 | C28 | O4 | H51 | 0.0° | 90.0° |
C28 | C27 | C11 | C12 | 179.8° | 90.0° |
C28 | C27 | C11 | C10 | 3.2° | 90.0° |
C28 | C27 | C26 | H36 | 0.4° | 90.0° |
C27 | C28 | O4 | H51 | 178.6° | 90.0° |
C27 | C11 | C12 | C10 | 176.8° | 90.0° |
C11 | C27 | C28 | O4 | 1.7° | 90.0° |
C27 | C11 | C10 | C29 | 109.8° | 90.0° |
C27 | C11 | C10 | C9 | 70.1° | 90.0° |
C27 | C11 | C12 | H13 | 179.6° | 90.0° |
C11 | C27 | C26 | H36 | 179.8° | 90.0° |
C12 | C11 | C10 | C29 | 73.6° | 90.0° |
C12 | C11 | C10 | C9 | 106.6° | 90.0° |
C11 | C10 | C29 | C30 | 0.9° | 90.0° |
C11 | C10 | C29 | C9 | 179.9° | 90.0° |
C11 | C10 | C9 | C8 | 0.6° | 90.0° |
C11 | C10 | C29 | C33 | 179.2° | 90.0° |
C11 | C10 | C9 | C2 | 179.9° | 90.0° |
C10 | C11 | C12 | H13 | 3.7° | 90.0° |
C31 | C30 | C29 | H37 | 180.0° | 90.0° |
C31 | C30 | C29 | C10 | 179.3° | 90.0° |
C30 | C31 | C35 | H38 | 180.0° | 90.0° |
C31 | C30 | C29 | C33 | 0.7° | 90.0° |
C30 | C31 | C35 | N2 | 179.4° | 90.0° |
C30 | C31 | C35 | C34 | 0.6° | 90.0° |
C30 | C29 | C10 | C33 | 180.0° | 90.0° |
C30 | C29 | C10 | C9 | 179.0° | 90.0° |
C29 | C30 | C31 | C35 | 0.1° | 90.0° |
C30 | C29 | C33 | C34 | 0.9° | 90.0° |
C30 | C29 | C33 | C1 | 178.9° | 90.0° |
C29 | C30 | C31 | H38 | 180.0° | 90.0° |
C29 | C10 | C9 | C8 | 179.3° | 90.0° |
C29 | C10 | C9 | C2 | 0.2° | 90.0° |
C10 | C29 | C33 | C34 | 179.1° | 90.0° |
C10 | C29 | C33 | C1 | 1.1° | 90.0° |
C10 | C29 | C30 | H37 | 0.7° | 90.0° |
C10 | C9 | C8 | C2 | 179.5° | 90.0° |
C10 | C9 | C8 | C7 | 179.0° | 90.0° |
C9 | C10 | C29 | C33 | 1.0° | 90.0° |
C10 | C9 | C2 | C3 | 179.4° | 90.0° |
C10 | C9 | C2 | C1 | 0.4° | 90.0° |
C10 | C9 | C8 | H50 | 1.0° | 90.0° |
C9 | C8 | C7 | H50 | 180.0° | 90.0° |
C9 | C8 | C7 | C4 | 0.4° | 90.0° |
C8 | C9 | C2 | C3 | 0.2° | 90.0° |
C8 | C9 | C2 | C1 | 179.9° | 90.0° |
C9 | C8 | C7 | H49 | 179.6° | 90.0° |
C7 | C8 | C9 | C2 | 0.5° | 90.0° |
C8 | C7 | C4 | H49 | 180.0° | 90.0° |
C8 | C7 | C4 | C3 | 0.1° | 90.0° |
C8 | C7 | C4 | N | 179.6° | 90.0° |
C31 | C35 | N2 | C36 | 0.7° | 90.0° |
C31 | C35 | N2 | C34 | 180.0° | 90.0° |
C31 | C35 | C34 | C33 | 0.4° | 90.0° |
C31 | C35 | N2 | C37 | 153.4° | 90.0° |
C35 | C31 | C30 | H37 | 179.9° | 90.0° |
C31 | C35 | C34 | H42 | 179.6° | 90.0° |
C29 | C33 | C34 | C35 | 0.4° | 90.0° |
C29 | C33 | C34 | C1 | 179.8° | 90.0° |
C29 | C33 | C1 | C2 | 0.5° | 90.0° |
C29 | C33 | C1 | C32 | 120.6° | 90.0° |
C29 | C33 | C1 | C | 121.4° | 90.0° |
C33 | C29 | C30 | H37 | 179.3° | 90.0° |
C29 | C33 | C34 | H42 | 179.6° | 90.0° |
C9 | C2 | C1 | C33 | 0.2° | 90.0° |
C9 | C2 | C3 | C1 | 179.8° | 90.0° |
C9 | C2 | C3 | C4 | 0.4° | 90.0° |
C9 | C2 | C1 | C32 | 121.3° | 90.0° |
C9 | C2 | C1 | C | 120.7° | 90.0° |
C9 | C2 | C3 | H2 | 179.7° | 90.0° |
C2 | C9 | C8 | H50 | 179.5° | 90.0° |
C7 | C4 | C3 | C2 | 0.5° | 90.0° |
C7 | C4 | C3 | N | 179.5° | 90.0° |
C7 | C4 | N | C6 | 29.9° | 90.0° |
C7 | C4 | N | C5 | 178.4° | 90.0° |
C7 | C4 | C3 | H2 | 179.5° | 90.0° |
C4 | C7 | C8 | H50 | 179.6° | 90.0° |
C36 | N2 | C35 | C37 | 154.0° | 90.0° |
C36 | N2 | C35 | C34 | 179.3° | 90.0° |
N2 | C36 | H43 | H44 | 120.0° | 90.0° |
N2 | C36 | H43 | H45 | 120.0° | 90.0° |
N2 | C36 | H44 | H45 | 120.0° | 90.0° |
C36 | N2 | C37 | H46 | 180.0° | 90.0° |
C36 | N2 | C37 | H47 | 60.0° | 90.0° |
C36 | N2 | C37 | H48 | 60.0° | 90.0° |
N2 | C35 | C34 | C33 | 179.6° | 90.0° |
N2 | C35 | C31 | H38 | 0.6° | 90.0° |
N2 | C35 | C34 | H42 | 0.4° | 90.0° |
C35 | N2 | C36 | H43 | 180.0° | 90.0° |
C35 | N2 | C36 | H44 | 60.0° | 90.0° |
C35 | N2 | C36 | H45 | 60.0° | 90.0° |
C35 | N2 | C37 | H46 | 24.5° | 90.0° |
C35 | N2 | C37 | H47 | 144.5° | 90.0° |
C35 | N2 | C37 | H48 | 95.5° | 90.0° |
C35 | C34 | C33 | H42 | 180.0° | 90.0° |
C35 | C34 | C33 | C1 | 179.4° | 90.0° |
C34 | C35 | N2 | C37 | 26.6° | 90.0° |
C34 | C35 | C31 | H38 | 179.4° | 90.0° |
C34 | C33 | C1 | C2 | 179.7° | 90.0° |
C34 | C33 | C1 | C32 | 59.2° | 90.0° |
C34 | C33 | C1 | C | 58.8° | 90.0° |
C33 | C1 | C2 | C3 | 179.5° | 90.0° |
C33 | C1 | C2 | C32 | 121.0° | 90.0° |
C33 | C1 | C2 | C | 121.0° | 90.0° |
C33 | C1 | C32 | C | 118.0° | 90.0° |
C33 | C1 | C | H9 | 180.0° | 90.0° |
C33 | C1 | C | H10 | 60.0° | 90.0° |
C33 | C1 | C | H11 | 60.0° | 90.0° |
C33 | C1 | C32 | H39 | 180.0° | 90.0° |
C33 | C1 | C32 | H40 | 60.0° | 90.0° |
C33 | C1 | C32 | H41 | 60.0° | 90.0° |
C1 | C33 | C34 | H42 | 0.6° | 90.0° |
C2 | C3 | C4 | H2 | 180.0° | 90.0° |
C2 | C3 | C4 | N | 180.0° | 90.0° |
C3 | C2 | C1 | C32 | 58.5° | 90.0° |
C3 | C2 | C1 | C | 59.5° | 90.0° |
C1 | C2 | C3 | C4 | 179.4° | 90.0° |
C2 | C1 | C32 | C | 118.0° | 90.0° |
C1 | C2 | C3 | H2 | 0.6° | 90.0° |
C2 | C1 | C | H9 | 56.0° | 90.0° |
C2 | C1 | C | H10 | 176.1° | 90.0° |
C2 | C1 | C | H11 | 64.0° | 90.0° |
C2 | C1 | C32 | H39 | 56.0° | 90.0° |
C2 | C1 | C32 | H40 | 64.0° | 90.0° |
C2 | C1 | C32 | H41 | 176.0° | 90.0° |
C3 | C4 | N | C6 | 150.7° | 90.0° |
C3 | C4 | N | C5 | 1.0° | 90.0° |
C3 | C4 | C7 | H49 | 179.9° | 90.0° |
C4 | N | C6 | C5 | 153.2° | 90.0° |
N | C4 | C3 | H2 | 0.1° | 90.0° |
C4 | N | C5 | H3 | 180.0° | 90.0° |
C4 | N | C5 | H4 | 60.0° | 90.0° |
C4 | N | C5 | H5 | 60.0° | 90.0° |
C4 | N | C6 | H6 | 180.0° | 90.0° |
C4 | N | C6 | H7 | 60.0° | 90.0° |
C4 | N | C6 | H8 | 60.0° | 90.0° |
N | C4 | C7 | H49 | 0.4° | 90.0° |
C37 | N2 | C36 | H43 | 24.5° | 90.0° |
C37 | N2 | C36 | H44 | 144.5° | 90.0° |
C37 | N2 | C36 | H45 | 95.5° | 90.0° |
N2 | C37 | H46 | H47 | 120.0° | 90.0° |
N2 | C37 | H46 | H48 | 120.0° | 90.0° |
N2 | C37 | H47 | H48 | 120.0° | 90.0° |
C6 | N | C5 | H3 | 26.9° | 90.0° |
C6 | N | C5 | H4 | 93.2° | 90.0° |
C6 | N | C5 | H5 | 146.9° | 90.0° |
N | C6 | H6 | H7 | 120.0° | 90.0° |
N | C6 | H6 | H8 | 120.0° | 90.0° |
N | C6 | H7 | H8 | 120.0° | 90.0° |
C32 | C1 | C | H9 | 62.1° | 90.0° |
C32 | C1 | C | H10 | 57.9° | 90.0° |
C32 | C1 | C | H11 | 177.9° | 90.0° |
C1 | C32 | H39 | H40 | 120.0° | 90.0° |
C1 | C32 | H39 | H41 | 120.0° | 90.0° |
C1 | C32 | H40 | H41 | 120.0° | 90.0° |
C1 | C | H9 | H10 | 120.0° | 90.0° |
C1 | C | H9 | H11 | 120.0° | 90.0° |
C1 | C | H10 | H11 | 120.0° | 90.0° |
C | C1 | C32 | H39 | 62.0° | 90.0° |
C | C1 | C32 | H40 | 178.0° | 90.0° |
C | C1 | C32 | H41 | 58.0° | 90.0° |
N | C5 | H3 | H4 | 120.0° | 90.0° |
N | C5 | H3 | H5 | 120.0° | 90.0° |
N | C5 | H4 | H5 | 119.9° | 90.0° |
C5 | N | C6 | H6 | 26.8° | 90.0° |
C5 | N | C6 | H7 | 146.7° | 90.0° |
C5 | N | C6 | H8 | 93.2° | 90.0° |
H1 | N1 | C15 | H14 | 147.8° | 90.0° |
H1 | N1 | C15 | H15 | 28.2° | 90.0° |
H3 | C5 | H4 | H5 | 120.0° | 90.0° |
H6 | C6 | H7 | H8 | 120.0° | 90.0° |
H9 | C | H10 | H11 | 120.0° | 90.0° |
H14 | C15 | C16 | H16 | 177.6° | 90.0° |
H14 | C15 | C16 | H17 | 57.6° | 90.0° |
H15 | C15 | C16 | H16 | 62.9° | 90.0° |
H15 | C15 | C16 | H17 | 177.1° | 90.0° |
H18 | C17 | C18 | H20 | 45.2° | 90.0° |
H18 | C17 | C18 | H21 | 74.7° | 90.0° |
H19 | C17 | C18 | H20 | 74.9° | 90.0° |
H19 | C17 | C18 | H21 | 165.2° | 90.0° |
H22 | C19 | C20 | H24 | 65.3° | 90.0° |
H22 | C19 | C20 | H25 | 53.5° | 90.0° |
H23 | C19 | C20 | H24 | 54.8° | 90.0° |
H23 | C19 | C20 | H25 | 173.6° | 90.0° |
H24 | C20 | C21 | H26 | 172.4° | 90.0° |
H24 | C20 | C21 | H27 | 68.9° | 90.0° |
H25 | C20 | C21 | H26 | 53.6° | 90.0° |
H25 | C20 | C21 | H27 | 172.3° | 90.0° |
H26 | C21 | C22 | H28 | 173.4° | 90.0° |
H26 | C21 | C22 | H29 | 54.8° | 90.0° |
H27 | C21 | C22 | H28 | 67.9° | 90.0° |
H27 | C21 | C22 | H29 | 173.5° | 90.0° |
H28 | C22 | C23 | H30 | 166.0° | 90.0° |
H28 | C22 | C23 | H31 | 75.2° | 90.0° |
H29 | C22 | C23 | H30 | 47.4° | 90.0° |
H29 | C22 | C23 | H31 | 166.2° | 90.0° |
H30 | C23 | C24 | H32 | 45.0° | 90.0° |
H30 | C23 | C24 | H33 | 74.4° | 90.0° |
H30 | C23 | C24 | CL1 | 165.3° | 90.0° |
H31 | C23 | C24 | H32 | 73.9° | 90.0° |
H31 | C23 | C24 | H33 | 166.6° | 90.0° |
H31 | C23 | C24 | CL1 | 46.4° | 90.0° |
H32 | C24 | H33 | CL1 | 119.1° | 90.0° |
H35 | C25 | C26 | H36 | 0.0° | 90.0° |
H37 | C30 | C31 | H38 | 0.1° | 90.0° |
H39 | C32 | H40 | H41 | 120.0° | 90.0° |
H43 | C36 | H44 | H45 | 120.0° | 90.0° |
H46 | C37 | H47 | H48 | 120.0° | 90.0° |
H49 | C7 | C8 | H50 | 0.4° | 90.0° |