P5R
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
O1 | C1 | sing | 1.43Å | 1.41Å | |
C1 | C2 | sing | 1.53Å | 1.50Å | |
C2 | O2 | sing | 1.43Å | 1.43Å | |
O2 | C3 | sing | 1.43Å | 1.42Å | |
C3 | C4 | sing | 1.53Å | 1.50Å | |
C4 | O3 | sing | 1.43Å | 1.42Å | |
O3 | C5 | sing | 1.43Å | 1.43Å | |
C5 | C6 | sing | 1.53Å | 1.50Å | |
C6 | O4 | sing | 1.43Å | 1.42Å | |
O4 | C7 | sing | 1.43Å | 1.42Å | |
C7 | C8 | sing | 1.53Å | 1.49Å | |
C8 | O5 | sing | 1.43Å | 1.42Å | |
O5 | C9 | sing | 1.43Å | 1.42Å | |
C9 | C10 | sing | 1.53Å | 1.49Å | |
C10 | O6 | sing | 1.43Å | 1.42Å | |
O6 | C11 | sing | 1.43Å | 1.42Å | |
C11 | C12 | sing | 1.53Å | 1.49Å | |
C12 | O7 | sing | 1.43Å | 1.42Å | |
O7 | C13 | sing | 1.43Å | 1.42Å | |
C13 | C14 | sing | 1.53Å | 1.49Å | |
C14 | O8 | sing | 1.43Å | 1.42Å | |
O8 | C15 | sing | 1.43Å | 1.42Å | |
C15 | C16 | sing | 1.53Å | 1.49Å | |
C16 | O9 | sing | 1.43Å | 1.42Å | |
O9 | C17 | sing | 1.43Å | 1.42Å | |
C17 | C18 | sing | 1.53Å | 1.49Å | |
C18 | O10 | sing | 1.43Å | 1.42Å | |
O10 | C19 | sing | 1.43Å | 1.42Å | |
C19 | C20 | sing | 1.53Å | 1.49Å | |
C20 | O11 | sing | 1.43Å | 1.42Å | |
O11 | C21 | sing | 1.43Å | 1.42Å | |
C21 | C22 | sing | 1.53Å | 1.49Å | |
C22 | O12 | sing | 1.43Å | 1.42Å | |
O12 | C23 | sing | 1.43Å | 1.42Å | |
C23 | C24 | sing | 1.53Å | 1.49Å | |
C24 | O13 | sing | 1.43Å | 1.42Å | |
O13 | C25 | sing | 1.43Å | 1.42Å | |
C25 | C26 | sing | 1.53Å | 1.49Å | |
C26 | O14 | sing | 1.43Å | 1.42Å | |
O14 | C27 | sing | 1.43Å | 1.42Å | |
C27 | C28 | sing | 1.53Å | 1.49Å | |
C28 | O15 | sing | 1.43Å | 1.42Å | |
O15 | C29 | sing | 1.43Å | 1.42Å | |
C29 | C30 | sing | 1.53Å | 1.49Å | |
C30 | O16 | sing | 1.43Å | 1.42Å | |
O16 | C31 | sing | 1.43Å | 1.42Å | |
C31 | C32 | sing | 1.53Å | 1.49Å | |
C32 | O17 | sing | 1.43Å | 1.42Å | |
O17 | C33 | sing | 1.43Å | 1.42Å | |
C33 | C34 | sing | 1.53Å | 1.50Å | |
C34 | O18 | sing | 1.43Å | 1.41Å | |
O1 | H1 | sing | 0.97Å | 0.95Å | |
C1 | H2 | sing | 1.09Å | 1.10Å | |
C1 | H3 | sing | 1.09Å | 1.10Å | |
C2 | H4 | sing | 1.09Å | 1.10Å | |
C2 | H5 | sing | 1.09Å | 1.10Å | |
C3 | H6 | sing | 1.09Å | 1.10Å | |
C3 | H7 | sing | 1.09Å | 1.10Å | |
C4 | H8 | sing | 1.09Å | 1.10Å | |
C4 | H9 | sing | 1.09Å | 1.10Å | |
C5 | H10 | sing | 1.09Å | 1.10Å | |
C5 | H11 | sing | 1.09Å | 1.10Å | |
C6 | H12 | sing | 1.09Å | 1.10Å | |
C6 | H13 | sing | 1.09Å | 1.10Å | |
C7 | H14 | sing | 1.09Å | 1.10Å | |
C7 | H15 | sing | 1.09Å | 1.10Å | |
C8 | H16 | sing | 1.09Å | 1.10Å | |
C8 | H17 | sing | 1.09Å | 1.10Å | |
C9 | H18 | sing | 1.09Å | 1.10Å | |
C9 | H19 | sing | 1.09Å | 1.10Å | |
C10 | H20 | sing | 1.09Å | 1.10Å | |
C10 | H21 | sing | 1.09Å | 1.10Å | |
C11 | H22 | sing | 1.09Å | 1.10Å | |
C11 | H23 | sing | 1.09Å | 1.10Å | |
C12 | H24 | sing | 1.09Å | 1.10Å | |
C12 | H25 | sing | 1.09Å | 1.10Å | |
C13 | H26 | sing | 1.09Å | 1.10Å | |
C13 | H27 | sing | 1.09Å | 1.10Å | |
C14 | H28 | sing | 1.09Å | 1.10Å | |
C14 | H29 | sing | 1.09Å | 1.10Å | |
C15 | H30 | sing | 1.09Å | 1.10Å | |
C15 | H31 | sing | 1.09Å | 1.10Å | |
C16 | H32 | sing | 1.09Å | 1.10Å | |
C16 | H33 | sing | 1.09Å | 1.10Å | |
C17 | H34 | sing | 1.09Å | 1.10Å | |
C17 | H35 | sing | 1.09Å | 1.10Å | |
C18 | H36 | sing | 1.09Å | 1.10Å | |
C18 | H37 | sing | 1.09Å | 1.10Å | |
C19 | H38 | sing | 1.09Å | 1.10Å | |
C19 | H39 | sing | 1.09Å | 1.10Å | |
C20 | H40 | sing | 1.09Å | 1.10Å | |
C20 | H41 | sing | 1.09Å | 1.10Å | |
C21 | H42 | sing | 1.09Å | 1.10Å | |
C21 | H43 | sing | 1.09Å | 1.10Å | |
C22 | H44 | sing | 1.09Å | 1.10Å | |
C22 | H45 | sing | 1.09Å | 1.10Å | |
C23 | H46 | sing | 1.09Å | 1.10Å | |
C23 | H47 | sing | 1.09Å | 1.10Å | |
C24 | H48 | sing | 1.09Å | 1.10Å | |
C24 | H49 | sing | 1.09Å | 1.10Å | |
C25 | H50 | sing | 1.09Å | 1.10Å | |
C25 | H51 | sing | 1.09Å | 1.10Å | |
C26 | H52 | sing | 1.09Å | 1.10Å | |
C26 | H53 | sing | 1.09Å | 1.10Å | |
C27 | H54 | sing | 1.09Å | 1.10Å | |
C27 | H55 | sing | 1.09Å | 1.10Å | |
C28 | H56 | sing | 1.09Å | 1.10Å | |
C28 | H57 | sing | 1.09Å | 1.10Å | |
C29 | H58 | sing | 1.09Å | 1.10Å | |
C29 | H59 | sing | 1.09Å | 1.10Å | |
C30 | H60 | sing | 1.09Å | 1.10Å | |
C30 | H61 | sing | 1.09Å | 1.10Å | |
C31 | H62 | sing | 1.09Å | 1.10Å | |
C31 | H63 | sing | 1.09Å | 1.10Å | |
C32 | H64 | sing | 1.09Å | 1.10Å | |
C32 | H65 | sing | 1.09Å | 1.10Å | |
C33 | H66 | sing | 1.09Å | 1.10Å | |
C33 | H67 | sing | 1.09Å | 1.10Å | |
C34 | H68 | sing | 1.09Å | 1.10Å | |
C34 | H69 | sing | 1.09Å | 1.10Å | |
O18 | H70 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O1 | C1 | C2 | 112.3° | 109.5° |
C1 | O1 | H1 | 109.5° | 113.9° |
O1 | C1 | H2 | 108.8° | 109.5° |
O1 | C1 | H3 | 108.8° | 109.5° |
C1 | C2 | O2 | 109.8° | 109.5° |
C2 | C1 | H2 | 108.7° | 109.4° |
C2 | C1 | H3 | 108.8° | 109.5° |
C1 | C2 | H4 | 109.4° | 109.4° |
C1 | C2 | H5 | 109.4° | 109.4° |
C2 | O2 | C3 | 114.0° | 114.0° |
O2 | C2 | H4 | 109.4° | 109.5° |
O2 | C2 | H5 | 109.4° | 109.5° |
O2 | C3 | C4 | 109.6° | 109.4° |
O2 | C3 | H6 | 109.4° | 109.5° |
O2 | C3 | H7 | 109.5° | 109.5° |
C3 | C4 | O3 | 109.5° | 109.4° |
C4 | C3 | H6 | 109.5° | 109.5° |
C4 | C3 | H7 | 109.4° | 109.4° |
C3 | C4 | H8 | 109.4° | 109.5° |
C3 | C4 | H9 | 109.4° | 109.5° |
C4 | O3 | C5 | 113.9° | 114.0° |
O3 | C4 | H8 | 109.5° | 109.5° |
O3 | C4 | H9 | 109.5° | 109.5° |
O3 | C5 | C6 | 109.6° | 109.5° |
O3 | C5 | H10 | 109.4° | 109.5° |
O3 | C5 | H11 | 109.4° | 109.5° |
C5 | C6 | O4 | 109.3° | 109.5° |
C6 | C5 | H10 | 109.4° | 109.5° |
C6 | C5 | H11 | 109.4° | 109.4° |
C5 | C6 | H12 | 109.5° | 109.5° |
C5 | C6 | H13 | 109.5° | 109.5° |
C6 | O4 | C7 | 113.1° | 114.0° |
O4 | C6 | H12 | 109.5° | 109.5° |
O4 | C6 | H13 | 109.5° | 109.4° |
O4 | C7 | C8 | 109.3° | 109.4° |
O4 | C7 | H14 | 109.5° | 109.5° |
O4 | C7 | H15 | 109.5° | 109.5° |
C7 | C8 | O5 | 109.5° | 109.5° |
C8 | C7 | H14 | 109.5° | 109.5° |
C8 | C7 | H15 | 109.5° | 109.5° |
C7 | C8 | H16 | 109.5° | 109.5° |
C7 | C8 | H17 | 109.5° | 109.5° |
C8 | O5 | C9 | 112.8° | 114.0° |
O5 | C8 | H16 | 109.5° | 109.5° |
O5 | C8 | H17 | 109.5° | 109.5° |
O5 | C9 | C10 | 109.4° | 109.5° |
O5 | C9 | H18 | 109.5° | 109.4° |
O5 | C9 | H19 | 109.5° | 109.5° |
C9 | C10 | O6 | 109.2° | 109.5° |
C10 | C9 | H18 | 109.5° | 109.5° |
C10 | C9 | H19 | 109.5° | 109.5° |
C9 | C10 | H20 | 109.5° | 109.5° |
C9 | C10 | H21 | 109.5° | 109.5° |
C10 | O6 | C11 | 112.9° | 114.0° |
O6 | C10 | H20 | 109.6° | 109.5° |
O6 | C10 | H21 | 109.5° | 109.4° |
O6 | C11 | C12 | 109.2° | 109.5° |
O6 | C11 | H22 | 109.5° | 109.4° |
O6 | C11 | H23 | 109.5° | 109.4° |
C11 | C12 | O7 | 109.2° | 109.5° |
C12 | C11 | H22 | 109.5° | 109.5° |
C12 | C11 | H23 | 109.6° | 109.5° |
C11 | C12 | H24 | 109.5° | 109.4° |
C11 | C12 | H25 | 109.6° | 109.5° |
C12 | O7 | C13 | 112.8° | 114.0° |
O7 | C12 | H24 | 109.6° | 109.5° |
O7 | C12 | H25 | 109.5° | 109.5° |
O7 | C13 | C14 | 109.2° | 109.5° |
O7 | C13 | H26 | 109.6° | 109.4° |
O7 | C13 | H27 | 109.5° | 109.5° |
C13 | C14 | O8 | 109.1° | 109.5° |
C14 | C13 | H26 | 109.5° | 109.5° |
C14 | C13 | H27 | 109.6° | 109.5° |
C13 | C14 | H28 | 109.6° | 109.5° |
C13 | C14 | H29 | 109.6° | 109.5° |
C14 | O8 | C15 | 112.8° | 114.0° |
O8 | C14 | H28 | 109.5° | 109.5° |
O8 | C14 | H29 | 109.6° | 109.4° |
O8 | C15 | C16 | 109.1° | 109.5° |
O8 | C15 | H30 | 109.5° | 109.5° |
O8 | C15 | H31 | 109.6° | 109.5° |
C15 | C16 | O9 | 109.1° | 109.4° |
C16 | C15 | H30 | 109.6° | 109.5° |
C16 | C15 | H31 | 109.5° | 109.4° |
C15 | C16 | H32 | 109.6° | 109.5° |
C15 | C16 | H33 | 109.6° | 109.5° |
C16 | O9 | C17 | 112.8° | 114.0° |
O9 | C16 | H32 | 109.6° | 109.5° |
O9 | C16 | H33 | 109.6° | 109.4° |
O9 | C17 | C18 | 109.1° | 109.5° |
O9 | C17 | H34 | 109.6° | 109.5° |
O9 | C17 | H35 | 109.6° | 109.5° |
C17 | C18 | O10 | 109.1° | 109.5° |
C18 | C17 | H34 | 109.6° | 109.4° |
C18 | C17 | H35 | 109.6° | 109.5° |
C17 | C18 | H36 | 109.6° | 109.5° |
C17 | C18 | H37 | 109.6° | 109.4° |
C18 | O10 | C19 | 112.8° | 114.0° |
O10 | C18 | H36 | 109.6° | 109.5° |
O10 | C18 | H37 | 109.6° | 109.5° |
O10 | C19 | C20 | 109.1° | 109.5° |
O10 | C19 | H38 | 109.5° | 109.4° |
O10 | C19 | H39 | 109.5° | 109.4° |
C19 | C20 | O11 | 109.0° | 109.5° |
C20 | C19 | H38 | 109.6° | 109.5° |
C20 | C19 | H39 | 109.6° | 109.5° |
C19 | C20 | H40 | 109.6° | 109.5° |
C19 | C20 | H41 | 109.6° | 109.5° |
C20 | O11 | C21 | 112.7° | 114.0° |
O11 | C20 | H40 | 109.6° | 109.5° |
O11 | C20 | H41 | 109.6° | 109.5° |
O11 | C21 | C22 | 109.1° | 109.5° |
O11 | C21 | H42 | 109.6° | 109.5° |
O11 | C21 | H43 | 109.6° | 109.5° |
C21 | C22 | O12 | 109.1° | 109.5° |
C22 | C21 | H42 | 109.6° | 109.5° |
C22 | C21 | H43 | 109.6° | 109.5° |
C21 | C22 | H44 | 109.6° | 109.5° |
C21 | C22 | H45 | 109.5° | 109.5° |
C22 | O12 | C23 | 112.7° | 114.0° |
O12 | C22 | H44 | 109.6° | 109.5° |
O12 | C22 | H45 | 109.6° | 109.5° |
O12 | C23 | C24 | 109.1° | 109.4° |
O12 | C23 | H46 | 109.6° | 109.5° |
O12 | C23 | H47 | 109.6° | 109.5° |
C23 | C24 | O13 | 109.1° | 109.5° |
C24 | C23 | H46 | 109.6° | 109.5° |
C24 | C23 | H47 | 109.6° | 109.5° |
C23 | C24 | H48 | 109.6° | 109.5° |
C23 | C24 | H49 | 109.6° | 109.5° |
C24 | O13 | C25 | 112.8° | 114.0° |
O13 | C24 | H48 | 109.5° | 109.5° |
O13 | C24 | H49 | 109.5° | 109.4° |
O13 | C25 | C26 | 109.2° | 109.5° |
O13 | C25 | H50 | 109.5° | 109.5° |
O13 | C25 | H51 | 109.5° | 109.4° |
C25 | C26 | O14 | 109.2° | 109.4° |
C26 | C25 | H50 | 109.6° | 109.5° |
C26 | C25 | H51 | 109.5° | 109.4° |
C25 | C26 | H52 | 109.6° | 109.5° |
C25 | C26 | H53 | 109.5° | 109.5° |
C26 | O14 | C27 | 112.8° | 114.0° |
O14 | C26 | H52 | 109.5° | 109.5° |
O14 | C26 | H53 | 109.6° | 109.5° |
O14 | C27 | C28 | 109.2° | 109.4° |
O14 | C27 | H54 | 109.5° | 109.5° |
O14 | C27 | H55 | 109.5° | 109.5° |
C27 | C28 | O15 | 109.3° | 109.5° |
C28 | C27 | H54 | 109.6° | 109.4° |
C28 | C27 | H55 | 109.6° | 109.5° |
C27 | C28 | H56 | 109.5° | 109.5° |
C27 | C28 | H57 | 109.5° | 109.5° |
C28 | O15 | C29 | 112.9° | 114.0° |
O15 | C28 | H56 | 109.5° | 109.5° |
O15 | C28 | H57 | 109.5° | 109.5° |
O15 | C29 | C30 | 109.3° | 109.4° |
O15 | C29 | H58 | 109.5° | 109.5° |
O15 | C29 | H59 | 109.5° | 109.5° |
C29 | C30 | O16 | 109.3° | 109.5° |
C30 | C29 | H58 | 109.5° | 109.4° |
C30 | C29 | H59 | 109.5° | 109.5° |
C29 | C30 | H60 | 109.5° | 109.4° |
C29 | C30 | H61 | 109.5° | 109.5° |
C30 | O16 | C31 | 112.9° | 114.0° |
O16 | C30 | H60 | 109.5° | 109.5° |
O16 | C30 | H61 | 109.5° | 109.5° |
O16 | C31 | C32 | 109.4° | 109.4° |
O16 | C31 | H62 | 109.5° | 109.5° |
O16 | C31 | H63 | 109.5° | 109.4° |
C31 | C32 | O17 | 109.5° | 109.5° |
C32 | C31 | H62 | 109.5° | 109.5° |
C32 | C31 | H63 | 109.5° | 109.5° |
C31 | C32 | H64 | 109.5° | 109.5° |
C31 | C32 | H65 | 109.5° | 109.5° |
C32 | O17 | C33 | 113.0° | 114.0° |
O17 | C32 | H64 | 109.5° | 109.5° |
O17 | C32 | H65 | 109.5° | 109.4° |
O17 | C33 | C34 | 109.7° | 109.5° |
O17 | C33 | H66 | 109.4° | 109.5° |
O17 | C33 | H67 | 109.4° | 109.5° |
C33 | C34 | O18 | 112.3° | 109.4° |
C34 | C33 | H66 | 109.4° | 109.5° |
C34 | C33 | H67 | 109.4° | 109.4° |
C33 | C34 | H68 | 108.8° | 109.5° |
C33 | C34 | H69 | 108.8° | 109.4° |
O18 | C34 | H68 | 108.8° | 109.5° |
O18 | C34 | H69 | 108.8° | 109.5° |
C34 | O18 | H70 | 109.5° | 114.0° |
H2 | C1 | H3 | 109.5° | 109.4° |
H4 | C2 | H5 | 109.5° | 109.5° |
H6 | C3 | H7 | 109.5° | 109.5° |
H8 | C4 | H9 | 109.5° | 109.5° |
H10 | C5 | H11 | 109.5° | 109.4° |
H12 | C6 | H13 | 109.5° | 109.4° |
H14 | C7 | H15 | 109.4° | 109.5° |
H16 | C8 | H17 | 109.5° | 109.4° |
H18 | C9 | H19 | 109.5° | 109.5° |
H20 | C10 | H21 | 109.5° | 109.5° |
H22 | C11 | H23 | 109.5° | 109.5° |
H24 | C12 | H25 | 109.5° | 109.5° |
H26 | C13 | H27 | 109.5° | 109.5° |
H28 | C14 | H29 | 109.5° | 109.5° |
H30 | C15 | H31 | 109.5° | 109.5° |
H32 | C16 | H33 | 109.4° | 109.5° |
H34 | C17 | H35 | 109.5° | 109.5° |
H36 | C18 | H37 | 109.5° | 109.5° |
H38 | C19 | H39 | 109.5° | 109.5° |
H40 | C20 | H41 | 109.5° | 109.5° |
H42 | C21 | H43 | 109.4° | 109.5° |
H44 | C22 | H45 | 109.5° | 109.5° |
H46 | C23 | H47 | 109.5° | 109.5° |
H48 | C24 | H49 | 109.5° | 109.5° |
H50 | C25 | H51 | 109.5° | 109.5° |
H52 | C26 | H53 | 109.4° | 109.5° |
H54 | C27 | H55 | 109.5° | 109.5° |
H56 | C28 | H57 | 109.5° | 109.4° |
H58 | C29 | H59 | 109.5° | 109.5° |
H60 | C30 | H61 | 109.4° | 109.5° |
H62 | C31 | H63 | 109.4° | 109.5° |
H64 | C32 | H65 | 109.5° | 109.4° |
H66 | C33 | H67 | 109.5° | 109.5° |
H68 | C34 | H69 | 109.5° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O1 | C1 | C2 | H2 | 120.4° | 120.0° |
O1 | C1 | C2 | H3 | 120.4° | 120.1° |
O1 | C1 | C2 | O2 | 61.7° | 65.0° |
O1 | C1 | H2 | H3 | 118.7° | 120.0° |
O1 | C1 | C2 | H4 | 178.2° | 175.0° |
O1 | C1 | C2 | H5 | 58.3° | 55.0° |
C1 | C2 | O2 | H4 | 120.1° | 120.0° |
C1 | C2 | O2 | H5 | 120.1° | 120.0° |
C1 | C2 | O2 | C3 | 106.8° | 180.0° |
C2 | C1 | O1 | H1 | 180.0° | 180.0° |
C2 | C1 | H2 | H3 | 118.7° | 120.0° |
C1 | C2 | H4 | H5 | 119.9° | 119.9° |
C2 | O2 | C3 | C4 | 174.9° | 180.0° |
O2 | C2 | C1 | H2 | 58.7° | 55.0° |
O2 | C2 | C1 | H3 | 177.8° | 175.0° |
O2 | C2 | H4 | H5 | 119.8° | 120.1° |
C2 | O2 | C3 | H6 | 65.1° | 60.0° |
C2 | O2 | C3 | H7 | 54.9° | 60.0° |
O2 | C3 | C4 | H6 | 120.0° | 120.0° |
O2 | C3 | C4 | H7 | 120.0° | 120.0° |
O2 | C3 | C4 | O3 | 177.7° | 65.0° |
C3 | O2 | C2 | H4 | 133.2° | 60.0° |
C3 | O2 | C2 | H5 | 13.3° | 60.0° |
O2 | C3 | H6 | H7 | 119.9° | 120.1° |
O2 | C3 | C4 | H8 | 57.7° | 175.0° |
O2 | C3 | C4 | H9 | 62.3° | 55.0° |
C3 | C4 | O3 | H8 | 120.0° | 120.0° |
C3 | C4 | O3 | H9 | 120.0° | 120.0° |
C3 | C4 | O3 | C5 | 172.7° | 180.0° |
C4 | C3 | H6 | H7 | 119.9° | 120.0° |
C3 | C4 | H8 | H9 | 120.0° | 120.0° |
C4 | O3 | C5 | C6 | 89.9° | 180.0° |
O3 | C4 | C3 | H6 | 62.3° | 55.0° |
O3 | C4 | C3 | H7 | 57.7° | 175.0° |
O3 | C4 | H8 | H9 | 120.0° | 120.0° |
C4 | O3 | C5 | H10 | 150.1° | 60.0° |
C4 | O3 | C5 | H11 | 30.1° | 60.0° |
O3 | C5 | C6 | H10 | 120.0° | 120.1° |
O3 | C5 | C6 | H11 | 120.0° | 120.0° |
O3 | C5 | C6 | O4 | 178.3° | 65.0° |
C5 | O3 | C4 | H8 | 67.3° | 60.0° |
C5 | O3 | C4 | H9 | 52.7° | 60.0° |
O3 | C5 | H10 | H11 | 119.9° | 120.0° |
O3 | C5 | C6 | H12 | 61.7° | 174.9° |
O3 | C5 | C6 | H13 | 58.3° | 55.0° |
C5 | C6 | O4 | H12 | 120.0° | 120.1° |
C5 | C6 | O4 | H13 | 120.0° | 120.0° |
C5 | C6 | O4 | C7 | 178.7° | 180.0° |
C6 | C5 | H10 | H11 | 119.9° | 119.9° |
C5 | C6 | H12 | H13 | 120.0° | 120.0° |
C6 | O4 | C7 | C8 | 179.5° | 180.0° |
O4 | C6 | C5 | H10 | 58.3° | 55.1° |
O4 | C6 | C5 | H11 | 61.7° | 175.0° |
O4 | C6 | H12 | H13 | 120.1° | 120.0° |
C6 | O4 | C7 | H14 | 59.5° | 60.0° |
C6 | O4 | C7 | H15 | 60.5° | 60.0° |
O4 | C7 | C8 | H14 | 120.0° | 120.0° |
O4 | C7 | C8 | H15 | 120.0° | 120.0° |
O4 | C7 | C8 | O5 | 179.2° | 65.0° |
C7 | O4 | C6 | H12 | 61.3° | 60.0° |
C7 | O4 | C6 | H13 | 58.7° | 60.0° |
O4 | C7 | H14 | H15 | 120.1° | 120.0° |
O4 | C7 | C8 | H16 | 59.1° | 175.0° |
O4 | C7 | C8 | H17 | 60.8° | 55.0° |
C7 | C8 | O5 | H16 | 120.0° | 120.0° |
C7 | C8 | O5 | H17 | 120.0° | 120.0° |
C7 | C8 | O5 | C9 | 180.0° | 180.0° |
C8 | C7 | H14 | H15 | 120.1° | 120.0° |
C7 | C8 | H16 | H17 | 120.0° | 120.0° |
C8 | O5 | C9 | C10 | 179.9° | 180.0° |
O5 | C8 | C7 | H14 | 60.8° | 55.0° |
O5 | C8 | C7 | H15 | 59.2° | 175.0° |
O5 | C8 | H16 | H17 | 120.0° | 120.0° |
C8 | O5 | C9 | H18 | 60.0° | 60.0° |
C8 | O5 | C9 | H19 | 60.0° | 60.0° |
O5 | C9 | C10 | H18 | 120.0° | 119.9° |
O5 | C9 | C10 | H19 | 120.0° | 120.0° |
O5 | C9 | C10 | O6 | 179.9° | 64.9° |
C9 | O5 | C8 | H16 | 59.9° | 60.0° |
C9 | O5 | C8 | H17 | 60.0° | 60.0° |
O5 | C9 | H18 | H19 | 120.0° | 120.0° |
O5 | C9 | C10 | H20 | 59.9° | 175.0° |
O5 | C9 | C10 | H21 | 60.2° | 55.0° |
C9 | C10 | O6 | H20 | 120.0° | 120.0° |
C9 | C10 | O6 | H21 | 119.9° | 120.0° |
C9 | C10 | O6 | C11 | 179.9° | 180.0° |
C10 | C9 | H18 | H19 | 120.0° | 120.1° |
C9 | C10 | H20 | H21 | 120.1° | 120.0° |
C10 | O6 | C11 | C12 | 180.0° | 179.9° |
O6 | C10 | C9 | H18 | 60.1° | 55.0° |
O6 | C10 | C9 | H19 | 59.9° | 175.0° |
O6 | C10 | H20 | H21 | 120.1° | 120.0° |
C10 | O6 | C11 | H22 | 60.0° | 60.0° |
C10 | O6 | C11 | H23 | 60.0° | 60.1° |
O6 | C11 | C12 | H22 | 120.0° | 119.9° |
O6 | C11 | C12 | H23 | 120.0° | 120.0° |
O6 | C11 | C12 | O7 | 180.0° | 65.0° |
C11 | O6 | C10 | H20 | 60.0° | 60.0° |
C11 | O6 | C10 | H21 | 60.1° | 60.0° |
O6 | C11 | H22 | H23 | 120.1° | 120.0° |
O6 | C11 | C12 | H24 | 60.0° | 175.0° |
O6 | C11 | C12 | H25 | 60.0° | 55.0° |
C11 | C12 | O7 | H24 | 119.9° | 120.0° |
C11 | C12 | O7 | H25 | 120.0° | 120.0° |
C11 | C12 | O7 | C13 | 180.0° | 180.0° |
C12 | C11 | H22 | H23 | 120.1° | 120.1° |
C11 | C12 | H24 | H25 | 120.1° | 120.0° |
C12 | O7 | C13 | C14 | 179.9° | 180.0° |
O7 | C12 | C11 | H22 | 60.0° | 54.9° |
O7 | C12 | C11 | H23 | 60.1° | 175.1° |
O7 | C12 | H24 | H25 | 120.1° | 120.0° |
C12 | O7 | C13 | H26 | 60.0° | 60.0° |
C12 | O7 | C13 | H27 | 60.1° | 60.0° |
O7 | C13 | C14 | H26 | 119.9° | 120.0° |
O7 | C13 | C14 | H27 | 120.0° | 120.0° |
O7 | C13 | C14 | O8 | 180.0° | 65.0° |
C13 | O7 | C12 | H24 | 60.0° | 60.0° |
C13 | O7 | C12 | H25 | 60.1° | 60.0° |
O7 | C13 | H26 | H27 | 120.1° | 119.9° |
O7 | C13 | C14 | H28 | 60.1° | 175.0° |
O7 | C13 | C14 | H29 | 60.0° | 54.9° |
C13 | C14 | O8 | H28 | 119.9° | 120.0° |
C13 | C14 | O8 | H29 | 120.0° | 120.0° |
C13 | C14 | O8 | C15 | 180.0° | 180.0° |
C14 | C13 | H26 | H27 | 120.1° | 120.0° |
C13 | C14 | H28 | H29 | 120.2° | 120.1° |
C14 | O8 | C15 | C16 | 180.0° | 180.0° |
O8 | C14 | C13 | H26 | 60.0° | 55.0° |
O8 | C14 | C13 | H27 | 60.0° | 175.0° |
O8 | C14 | H28 | H29 | 120.1° | 119.9° |
C14 | O8 | C15 | H30 | 60.0° | 60.0° |
C14 | O8 | C15 | H31 | 60.1° | 60.0° |
O8 | C15 | C16 | H30 | 119.9° | 120.1° |
O8 | C15 | C16 | H31 | 119.9° | 120.0° |
O8 | C15 | C16 | O9 | 180.0° | 65.0° |
C15 | O8 | C14 | H28 | 60.0° | 59.9° |
C15 | O8 | C14 | H29 | 60.1° | 60.0° |
O8 | C15 | H30 | H31 | 120.2° | 120.0° |
O8 | C15 | C16 | H32 | 60.1° | 175.0° |
O8 | C15 | C16 | H33 | 60.0° | 54.9° |
C15 | C16 | O9 | H32 | 120.0° | 120.0° |
C15 | C16 | O9 | H33 | 120.0° | 120.0° |
C15 | C16 | O9 | C17 | 180.0° | 180.0° |
C16 | C15 | H30 | H31 | 120.2° | 119.9° |
C15 | C16 | H32 | H33 | 120.2° | 120.1° |
C16 | O9 | C17 | C18 | 179.9° | 180.0° |
O9 | C16 | C15 | H30 | 60.1° | 55.1° |
O9 | C16 | C15 | H31 | 60.1° | 175.0° |
O9 | C16 | H32 | H33 | 120.2° | 120.0° |
C16 | O9 | C17 | H34 | 60.0° | 60.0° |
C16 | O9 | C17 | H35 | 60.2° | 60.0° |
O9 | C17 | C18 | H34 | 120.0° | 120.0° |
O9 | C17 | C18 | H35 | 119.9° | 120.0° |
O9 | C17 | C18 | O10 | 180.0° | 65.0° |
C17 | O9 | C16 | H32 | 60.0° | 60.0° |
C17 | O9 | C16 | H33 | 60.1° | 60.1° |
O9 | C17 | H34 | H35 | 120.2° | 120.0° |
O9 | C17 | C18 | H36 | 60.0° | 175.0° |
O9 | C17 | C18 | H37 | 60.1° | 55.0° |
C17 | C18 | O10 | H36 | 119.9° | 120.0° |
C17 | C18 | O10 | H37 | 119.9° | 120.0° |
C17 | C18 | O10 | C19 | 179.9° | 180.0° |
C18 | C17 | H34 | H35 | 120.2° | 120.0° |
C17 | C18 | H36 | H37 | 120.2° | 120.0° |
C18 | O10 | C19 | C20 | 180.0° | 180.0° |
O10 | C18 | C17 | H34 | 60.0° | 55.0° |
O10 | C18 | C17 | H35 | 60.1° | 175.0° |
O10 | C18 | H36 | H37 | 120.2° | 120.0° |
C18 | O10 | C19 | H38 | 60.1° | 60.0° |
C18 | O10 | C19 | H39 | 60.1° | 60.0° |
O10 | C19 | C20 | H38 | 119.9° | 120.0° |
O10 | C19 | C20 | H39 | 119.9° | 120.0° |
O10 | C19 | C20 | O11 | 180.0° | 65.0° |
C19 | O10 | C18 | H36 | 60.0° | 60.0° |
C19 | O10 | C18 | H37 | 60.2° | 60.0° |
O10 | C19 | H38 | H39 | 120.2° | 119.9° |
O10 | C19 | C20 | H40 | 60.0° | 175.0° |
O10 | C19 | C20 | H41 | 60.1° | 55.0° |
C19 | C20 | O11 | H40 | 119.9° | 120.0° |
C19 | C20 | O11 | H41 | 119.9° | 120.0° |
C19 | C20 | O11 | C21 | 180.0° | 180.0° |
C20 | C19 | H38 | H39 | 120.2° | 120.1° |
C19 | C20 | H40 | H41 | 120.2° | 120.0° |
C20 | O11 | C21 | C22 | 179.9° | 180.0° |
O11 | C20 | C19 | H38 | 60.1° | 55.0° |
O11 | C20 | C19 | H39 | 60.0° | 175.1° |
O11 | C20 | H40 | H41 | 120.2° | 120.0° |
C20 | O11 | C21 | H42 | 60.0° | 60.0° |
C20 | O11 | C21 | H43 | 60.1° | 60.0° |
O11 | C21 | C22 | H42 | 119.9° | 120.0° |
O11 | C21 | C22 | H43 | 120.0° | 120.0° |
O11 | C21 | C22 | O12 | 180.0° | 65.0° |
C21 | O11 | C20 | H40 | 60.0° | 60.0° |
C21 | O11 | C20 | H41 | 60.1° | 60.0° |
O11 | C21 | H42 | H43 | 120.2° | 120.0° |
O11 | C21 | C22 | H44 | 60.0° | 175.1° |
O11 | C21 | C22 | H45 | 60.1° | 55.0° |
C21 | C22 | O12 | H44 | 119.9° | 120.0° |
C21 | C22 | O12 | H45 | 119.9° | 120.0° |
C21 | C22 | O12 | C23 | 179.9° | 180.0° |
C22 | C21 | H42 | H43 | 120.2° | 120.0° |
C21 | C22 | H44 | H45 | 120.1° | 120.0° |
C22 | O12 | C23 | C24 | 180.0° | 180.0° |
O12 | C22 | C21 | H42 | 60.1° | 55.0° |
O12 | C22 | C21 | H43 | 60.0° | 175.0° |
O12 | C22 | H44 | H45 | 120.2° | 120.0° |
C22 | O12 | C23 | H46 | 60.0° | 60.0° |
C22 | O12 | C23 | H47 | 60.1° | 60.0° |
O12 | C23 | C24 | H46 | 119.9° | 120.0° |
O12 | C23 | C24 | H47 | 120.0° | 120.0° |
O12 | C23 | C24 | O13 | 180.0° | 65.0° |
C23 | O12 | C22 | H44 | 60.0° | 60.1° |
C23 | O12 | C22 | H45 | 60.2° | 60.0° |
O12 | C23 | H46 | H47 | 120.2° | 120.0° |
O12 | C23 | C24 | H48 | 60.1° | 175.0° |
O12 | C23 | C24 | H49 | 60.0° | 55.0° |
C23 | C24 | O13 | H48 | 119.9° | 120.0° |
C23 | C24 | O13 | H49 | 119.9° | 120.0° |
C23 | C24 | O13 | C25 | 179.9° | 180.0° |
C24 | C23 | H46 | H47 | 120.2° | 120.0° |
C23 | C24 | H48 | H49 | 120.2° | 120.0° |
C24 | O13 | C25 | C26 | 180.0° | 180.0° |
O13 | C24 | C23 | H46 | 60.0° | 55.0° |
O13 | C24 | C23 | H47 | 60.1° | 175.0° |
O13 | C24 | H48 | H49 | 120.2° | 120.0° |
C24 | O13 | C25 | H50 | 60.0° | 60.0° |
C24 | O13 | C25 | H51 | 60.1° | 60.0° |
O13 | C25 | C26 | H50 | 119.9° | 120.0° |
O13 | C25 | C26 | H51 | 120.0° | 119.9° |
O13 | C25 | C26 | O14 | 180.0° | 65.0° |
C25 | O13 | C24 | H48 | 60.0° | 60.0° |
C25 | O13 | C24 | H49 | 60.1° | 60.1° |
O13 | C25 | H50 | H51 | 120.1° | 119.9° |
O13 | C25 | C26 | H52 | 60.1° | 175.0° |
O13 | C25 | C26 | H53 | 60.0° | 54.9° |
C25 | C26 | O14 | H52 | 120.0° | 120.0° |
C25 | C26 | O14 | H53 | 120.0° | 120.0° |
C25 | C26 | O14 | C27 | 179.9° | 180.0° |
C26 | C25 | H50 | H51 | 120.2° | 120.0° |
C25 | C26 | H52 | H53 | 120.1° | 120.1° |
C26 | O14 | C27 | C28 | 179.9° | 180.0° |
O14 | C26 | C25 | H50 | 60.0° | 55.0° |
O14 | C26 | C25 | H51 | 60.1° | 175.0° |
O14 | C26 | H52 | H53 | 120.1° | 120.0° |
C26 | O14 | C27 | H54 | 59.9° | 60.0° |
C26 | O14 | C27 | H55 | 60.1° | 60.0° |
O14 | C27 | C28 | H54 | 119.9° | 120.0° |
O14 | C27 | C28 | H55 | 119.9° | 120.0° |
O14 | C27 | C28 | O15 | 180.0° | 65.0° |
C27 | O14 | C26 | H52 | 60.0° | 60.0° |
C27 | O14 | C26 | H53 | 60.1° | 60.0° |
O14 | C27 | H54 | H55 | 120.1° | 120.0° |
O14 | C27 | C28 | H56 | 60.0° | 175.0° |
O14 | C27 | C28 | H57 | 60.1° | 55.0° |
C27 | C28 | O15 | H56 | 120.0° | 120.0° |
C27 | C28 | O15 | H57 | 120.0° | 120.0° |
C27 | C28 | O15 | C29 | 180.0° | 180.0° |
C28 | C27 | H54 | H55 | 120.2° | 120.0° |
C27 | C28 | H56 | H57 | 120.0° | 120.0° |
C28 | O15 | C29 | C30 | 180.0° | 180.0° |
O15 | C28 | C27 | H54 | 60.1° | 55.0° |
O15 | C28 | C27 | H55 | 60.0° | 175.0° |
O15 | C28 | H56 | H57 | 120.1° | 120.0° |
C28 | O15 | C29 | H58 | 60.0° | 60.0° |
C28 | O15 | C29 | H59 | 60.1° | 60.1° |
O15 | C29 | C30 | H58 | 120.0° | 120.0° |
O15 | C29 | C30 | H59 | 120.0° | 120.0° |
O15 | C29 | C30 | O16 | 179.9° | 65.0° |
C29 | O15 | C28 | H56 | 60.0° | 59.9° |
C29 | O15 | C28 | H57 | 60.0° | 60.0° |
O15 | C29 | H58 | H59 | 120.1° | 120.0° |
O15 | C29 | C30 | H60 | 60.1° | 175.0° |
O15 | C29 | C30 | H61 | 59.9° | 55.0° |
C29 | C30 | O16 | H60 | 120.0° | 120.0° |
C29 | C30 | O16 | H61 | 120.0° | 120.0° |
C29 | C30 | O16 | C31 | 180.0° | 180.0° |
C30 | C29 | H58 | H59 | 120.0° | 120.0° |
C29 | C30 | H60 | H61 | 120.0° | 119.9° |
C30 | O16 | C31 | C32 | 179.9° | 180.0° |
O16 | C30 | C29 | H58 | 59.9° | 55.0° |
O16 | C30 | C29 | H59 | 60.1° | 175.0° |
O16 | C30 | H60 | H61 | 120.1° | 120.1° |
C30 | O16 | C31 | H62 | 60.1° | 60.0° |
C30 | O16 | C31 | H63 | 59.9° | 60.0° |
O16 | C31 | C32 | H62 | 120.0° | 120.0° |
O16 | C31 | C32 | H63 | 120.0° | 119.9° |
O16 | C31 | C32 | O17 | 179.6° | 65.0° |
C31 | O16 | C30 | H60 | 60.0° | 60.0° |
C31 | O16 | C30 | H61 | 60.0° | 60.0° |
O16 | C31 | H62 | H63 | 120.0° | 120.0° |
O16 | C31 | C32 | H64 | 60.4° | 175.0° |
O16 | C31 | C32 | H65 | 59.6° | 55.0° |
C31 | C32 | O17 | H64 | 120.0° | 120.0° |
C31 | C32 | O17 | H65 | 120.0° | 120.0° |
C31 | C32 | O17 | C33 | 179.5° | 180.0° |
C32 | C31 | H62 | H63 | 120.0° | 120.0° |
C31 | C32 | H64 | H65 | 120.0° | 120.0° |
C32 | O17 | C33 | C34 | 178.9° | 180.0° |
O17 | C32 | C31 | H62 | 59.6° | 55.0° |
O17 | C32 | C31 | H63 | 60.4° | 175.1° |
O17 | C32 | H64 | H65 | 120.0° | 120.0° |
C32 | O17 | C33 | H66 | 61.1° | 60.0° |
C32 | O17 | C33 | H67 | 58.8° | 60.0° |
O17 | C33 | C34 | H66 | 120.0° | 120.1° |
O17 | C33 | C34 | H67 | 120.0° | 120.0° |
O17 | C33 | C34 | O18 | 64.9° | 65.0° |
C33 | O17 | C32 | H64 | 59.5° | 60.0° |
C33 | O17 | C32 | H65 | 60.5° | 60.0° |
O17 | C33 | H66 | H67 | 119.9° | 120.0° |
O17 | C33 | C34 | H68 | 55.6° | 175.0° |
O17 | C33 | C34 | H69 | 174.7° | 54.9° |
C33 | C34 | O18 | H68 | 120.4° | 120.0° |
C33 | C34 | O18 | H69 | 120.4° | 119.9° |
C34 | C33 | H66 | H67 | 119.9° | 120.0° |
C33 | C34 | H68 | H69 | 118.7° | 120.0° |
C33 | C34 | O18 | H70 | 180.0° | 180.0° |
O18 | C34 | C33 | H66 | 175.1° | 55.0° |
O18 | C34 | C33 | H67 | 55.1° | 175.0° |
O18 | C34 | H68 | H69 | 118.7° | 120.0° |
H1 | O1 | C1 | H2 | 59.6° | 60.1° |
H1 | O1 | C1 | H3 | 59.6° | 59.9° |
H2 | C1 | C2 | H4 | 61.4° | 65.0° |
H2 | C1 | C2 | H5 | 178.7° | 175.0° |
H3 | C1 | C2 | H4 | 57.8° | 54.9° |
H3 | C1 | C2 | H5 | 62.1° | 65.0° |
H6 | C3 | C4 | H8 | 177.7° | 65.0° |
H6 | C3 | C4 | H9 | 57.7° | 175.0° |
H7 | C3 | C4 | H8 | 62.3° | 55.0° |
H7 | C3 | C4 | H9 | 177.7° | 65.0° |
H10 | C5 | C6 | H12 | 178.3° | 65.0° |
H10 | C5 | C6 | H13 | 61.7° | 175.0° |
H11 | C5 | C6 | H12 | 58.3° | 54.9° |
H11 | C5 | C6 | H13 | 178.3° | 65.0° |
H14 | C7 | C8 | H16 | 179.2° | 65.1° |
H14 | C7 | C8 | H17 | 59.2° | 175.0° |
H15 | C7 | C8 | H16 | 60.8° | 55.0° |
H15 | C7 | C8 | H17 | 179.2° | 65.0° |
H18 | C9 | C10 | H20 | 179.9° | 65.1° |
H18 | C9 | C10 | H21 | 59.8° | 174.9° |
H19 | C9 | C10 | H20 | 60.1° | 55.0° |
H19 | C9 | C10 | H21 | 179.8° | 65.0° |
H22 | C11 | C12 | H24 | 180.0° | 65.1° |
H22 | C11 | C12 | H25 | 59.9° | 175.0° |
H23 | C11 | C12 | H24 | 59.9° | 55.0° |
H23 | C11 | C12 | H25 | NaN° | 64.9° |
H26 | C13 | C14 | H28 | 180.0° | 65.0° |
H26 | C13 | C14 | H29 | 59.9° | 174.9° |
H27 | C13 | C14 | H28 | 59.9° | 55.0° |
H27 | C13 | C14 | H29 | 180.0° | 65.1° |
H30 | C15 | C16 | H32 | NaN° | 64.9° |
H30 | C15 | C16 | H33 | 59.9° | 175.0° |
H31 | C15 | C16 | H32 | 59.9° | 55.0° |
H31 | C15 | C16 | H33 | 179.9° | 65.0° |
H34 | C17 | C18 | H36 | 180.0° | 65.0° |
H34 | C17 | C18 | H37 | 59.9° | 175.0° |
H35 | C17 | C18 | H36 | 59.9° | 55.0° |
H35 | C17 | C18 | H37 | 180.0° | 65.0° |
H38 | C19 | C20 | H40 | 180.0° | 65.0° |
H38 | C19 | C20 | H41 | 59.8° | 175.0° |
H39 | C19 | C20 | H40 | 59.9° | 55.1° |
H39 | C19 | C20 | H41 | NaN° | 65.0° |
H42 | C21 | C22 | H44 | 180.0° | 65.0° |
H42 | C21 | C22 | H45 | 59.9° | 175.0° |
H43 | C21 | C22 | H44 | 59.9° | 55.0° |
H43 | C21 | C22 | H45 | 180.0° | 65.0° |
H46 | C23 | C24 | H48 | 180.0° | 65.0° |
H46 | C23 | C24 | H49 | 59.9° | 175.0° |
H47 | C23 | C24 | H48 | 59.9° | 55.0° |
H47 | C23 | C24 | H49 | NaN° | 65.1° |
H50 | C25 | C26 | H52 | 180.0° | 65.0° |
H50 | C25 | C26 | H53 | 60.0° | 175.0° |
H51 | C25 | C26 | H52 | 59.9° | 55.0° |
H51 | C25 | C26 | H53 | 179.9° | 65.0° |
H54 | C27 | C28 | H56 | 179.9° | 65.0° |
H54 | C27 | C28 | H57 | 59.9° | 175.0° |
H55 | C27 | C28 | H56 | 60.0° | 55.0° |
H55 | C27 | C28 | H57 | 180.0° | 64.9° |
H58 | C29 | C30 | H60 | 179.9° | 65.0° |
H58 | C29 | C30 | H61 | 60.1° | 175.0° |
H59 | C29 | C30 | H60 | 59.9° | 55.0° |
H59 | C29 | C30 | H61 | 179.9° | 65.0° |
H62 | C31 | C32 | H64 | 179.6° | 65.0° |
H62 | C31 | C32 | H65 | 60.4° | 175.0° |
H63 | C31 | C32 | H64 | 59.6° | 55.0° |
H63 | C31 | C32 | H65 | 179.6° | 64.9° |
H66 | C33 | C34 | H68 | 64.5° | 65.0° |
H66 | C33 | C34 | H69 | 54.7° | 175.0° |
H67 | C33 | C34 | H68 | 175.6° | 55.0° |
H67 | C33 | C34 | H69 | 65.3° | 65.1° |
H68 | C34 | O18 | H70 | 59.6° | 60.0° |
H69 | C34 | O18 | H70 | 59.6° | 60.0° |