WXW
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
O | C | doub | 1.21Å | 1.22Å | |
C | N | sing | 1.35Å | 1.38Å | |
C | C25 | sing | 1.49Å | 1.51Å | |
N | C1 | sing | 1.47Å | 1.47Å | |
C1 | C2 | sing | 1.53Å | 1.54Å | |
C1 | C24 | sing | 1.53Å | 1.54Å | |
C2 | C3 | sing | 1.53Å | 1.53Å | |
C3 | C4 | sing | 1.53Å | 1.53Å | |
C4 | C5 | sing | 1.52Å | 1.53Å | |
C23 | C4 | sing | 1.53Å | 1.54Å | |
C5 | C6 | sing | 1.50Å | 1.51Å | |
C6 | N1 | sing | 1.36Å | 1.38Å | |
O2 | C6 | doub | 1.21Å | 1.21Å | |
N1 | C7 | sing | 1.48Å | 1.47Å | |
C7 | C8 | sing | 1.51Å | 1.50Å | |
C17 | C7 | sing | 1.51Å | 1.52Å | |
C8 | N2 | sing | 1.37Å | 1.38Å | |
O1 | C8 | doub | 1.21Å | 1.22Å | |
N2 | C9 | sing | 1.48Å | 1.47Å | |
C10 | C9 | sing | 1.53Å | 1.53Å | |
C9 | C45 | sing | 1.51Å | 1.51Å | |
C11 | C10 | sing | 1.51Å | 1.51Å | |
C11 | C12 | doub | 1.38Å | 1.38Å | Aromatic |
C16 | C11 | sing | 1.38Å | 1.39Å | Aromatic |
C12 | C13 | sing | 1.38Å | 1.39Å | Aromatic |
C13 | C14 | doub | 1.38Å | 1.38Å | Aromatic |
C14 | C15 | sing | 1.38Å | 1.38Å | Aromatic |
C15 | C16 | doub | 1.38Å | 1.39Å | Aromatic |
C17 | C18 | doub | 1.38Å | 1.39Å | Aromatic |
C22 | C17 | sing | 1.38Å | 1.39Å | Aromatic |
C18 | C19 | sing | 1.38Å | 1.39Å | Aromatic |
C19 | C20 | doub | 1.38Å | 1.39Å | Aromatic |
C20 | C21 | sing | 1.38Å | 1.39Å | Aromatic |
C21 | C22 | doub | 1.38Å | 1.40Å | Aromatic |
C24 | C23 | sing | 1.53Å | 1.54Å | |
C25 | O3 | sing | 1.43Å | 1.42Å | |
O3 | C26 | sing | 1.36Å | 1.36Å | |
C26 | C27 | sing | 1.39Å | 1.39Å | Aromatic |
C26 | C33 | doub | 1.39Å | 1.39Å | Aromatic |
O4 | C27 | sing | 1.36Å | 1.36Å | |
C27 | C30 | doub | 1.39Å | 1.39Å | Aromatic |
C28 | O4 | sing | 1.43Å | 1.42Å | |
C29 | C28 | sing | 1.53Å | 1.53Å | |
C30 | C31 | sing | 1.38Å | 1.39Å | Aromatic |
C31 | C32 | doub | 1.38Å | 1.39Å | Aromatic |
C32 | C33 | sing | 1.38Å | 1.39Å | Aromatic |
C33 | C34 | sing | 1.50Å | 1.52Å | |
C34 | N3 | sing | 1.47Å | 1.47Å | |
N3 | C35 | sing | 1.41Å | 1.42Å | |
C35 | C36 | sing | 1.39Å | 1.40Å | Aromatic |
C35 | C38 | doub | 1.39Å | 1.39Å | Aromatic |
C36 | C37 | doub | 1.38Å | 1.40Å | Aromatic |
C37 | C40 | sing | 1.38Å | 1.40Å | Aromatic |
C38 | C39 | sing | 1.38Å | 1.38Å | Aromatic |
C39 | C40 | doub | 1.38Å | 1.38Å | Aromatic |
C40 | C41 | sing | 1.50Å | 1.52Å | |
C41 | C42 | sing | 1.53Å | 1.54Å | |
C43 | C42 | sing | 1.51Å | 1.53Å | |
C42 | N5 | sing | 1.48Å | 1.48Å | |
N4 | C43 | sing | 1.35Å | 1.39Å | |
O5 | C43 | doub | 1.21Å | 1.21Å | |
C44 | N4 | sing | 1.47Å | 1.47Å | |
N5 | C45 | sing | 1.36Å | 1.39Å | |
C45 | O6 | doub | 1.21Å | 1.21Å | |
C9 | H1 | sing | 1.09Å | 1.10Å | |
C10 | H15 | sing | 1.09Å | 1.10Å | |
C10 | H14 | sing | 1.09Å | 1.10Å | |
C16 | H20 | sing | 1.08Å | 1.08Å | |
C15 | H19 | sing | 1.08Å | 1.08Å | |
C14 | H18 | sing | 1.08Å | 1.08Å | |
C13 | H17 | sing | 1.08Å | 1.08Å | |
C12 | H16 | sing | 1.08Å | 1.08Å | |
N2 | H13 | sing | 0.97Å | 1.00Å | |
C7 | H | sing | 1.09Å | 1.10Å | |
C22 | H25 | sing | 1.08Å | 1.08Å | |
C21 | H24 | sing | 1.08Å | 1.08Å | |
C20 | H23 | sing | 1.08Å | 1.08Å | |
C19 | H22 | sing | 1.08Å | 1.08Å | |
C18 | H21 | sing | 1.08Å | 1.08Å | |
N1 | H12 | sing | 0.97Å | 1.00Å | |
C5 | H10 | sing | 1.09Å | 1.10Å | |
C5 | H11 | sing | 1.09Å | 1.10Å | |
C4 | H9 | sing | 1.10Å | 1.10Å | |
C3 | H7 | sing | 1.09Å | 1.10Å | |
C3 | H8 | sing | 1.09Å | 1.10Å | |
C2 | H5 | sing | 1.09Å | 1.10Å | |
C2 | H6 | sing | 1.09Å | 1.10Å | |
C23 | H26 | sing | 1.09Å | 1.10Å | |
C23 | H27 | sing | 1.09Å | 1.10Å | |
C24 | H29 | sing | 1.09Å | 1.10Å | |
C24 | H28 | sing | 1.09Å | 1.10Å | |
C1 | H4 | sing | 1.09Å | 1.10Å | |
N | H3 | sing | 0.97Å | 1.00Å | |
N5 | H53 | sing | 0.97Å | 1.00Å | |
C42 | H2 | sing | 1.09Å | 1.10Å | |
N4 | H49 | sing | 0.97Å | 1.00Å | |
C44 | H50 | sing | 1.09Å | 1.10Å | |
C44 | H52 | sing | 1.09Å | 1.10Å | |
C44 | H51 | sing | 1.09Å | 1.10Å | |
C41 | H48 | sing | 1.09Å | 1.10Å | |
C41 | H47 | sing | 1.09Å | 1.10Å | |
C37 | H44 | sing | 1.08Å | 1.08Å | |
C36 | H43 | sing | 1.08Å | 1.08Å | |
C39 | H46 | sing | 1.08Å | 1.08Å | |
C38 | H45 | sing | 1.08Å | 1.08Å | |
N3 | H42 | sing | 0.97Å | 1.00Å | |
C34 | H41 | sing | 1.09Å | 1.10Å | |
C34 | H40 | sing | 1.09Å | 1.10Å | |
C25 | H30 | sing | 1.09Å | 1.10Å | |
C25 | H31 | sing | 1.09Å | 1.10Å | |
C32 | H39 | sing | 1.08Å | 1.08Å | |
C31 | H38 | sing | 1.08Å | 1.08Å | |
C30 | H37 | sing | 1.08Å | 1.08Å | |
C28 | H33 | sing | 1.09Å | 1.10Å | |
C28 | H32 | sing | 1.09Å | 1.10Å | |
C29 | H36 | sing | 1.09Å | 1.10Å | |
C29 | H35 | sing | 1.09Å | 1.10Å | |
C29 | H34 | sing | 1.09Å | 1.10Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O | C | N | 119.0° | 120.8° |
O | C | C25 | 120.0° | 121.2° |
N | C | C25 | 121.0° | 118.0° |
C | N | C1 | 129.4° | 120.0° |
C | N | H3 | 115.3° | 120.0° |
C | C25 | O3 | 106.3° | 109.3° |
C | C25 | H30 | 110.2° | 109.8° |
C | C25 | H31 | 110.3° | 109.4° |
N | C1 | C2 | 105.6° | 110.0° |
N | C1 | C24 | 112.1° | 110.4° |
N | C1 | H4 | 110.2° | 109.0° |
C1 | N | H3 | 115.3° | 120.0° |
C2 | C1 | C24 | 110.4° | 109.3° |
C1 | C2 | C3 | 113.3° | 110.3° |
C1 | C2 | H5 | 108.5° | 109.3° |
C1 | C2 | H6 | 108.5° | 109.2° |
C2 | C1 | H4 | 109.2° | 109.3° |
C1 | C24 | C23 | 111.3° | 110.5° |
C1 | C24 | H29 | 109.0° | 109.2° |
C1 | C24 | H28 | 109.0° | 109.1° |
C24 | C1 | H4 | 109.3° | 108.9° |
C2 | C3 | C4 | 109.3° | 110.4° |
C2 | C3 | H7 | 109.5° | 109.3° |
C2 | C3 | H8 | 109.5° | 109.1° |
C3 | C2 | H5 | 108.5° | 109.4° |
C3 | C2 | H6 | 108.5° | 109.3° |
C3 | C4 | C5 | 108.8° | 110.1° |
C3 | C4 | C23 | 112.0° | 109.3° |
C3 | C4 | H9 | 107.0° | 107.7° |
C4 | C3 | H7 | 109.5° | 109.3° |
C4 | C3 | H8 | 109.5° | 109.3° |
C5 | C4 | C23 | 114.6° | 111.8° |
C4 | C5 | C6 | 114.0° | 112.2° |
C4 | C5 | H10 | 108.3° | 109.0° |
C4 | C5 | H11 | 108.3° | 108.9° |
C5 | C4 | H9 | 107.0° | 109.1° |
C4 | C23 | C24 | 108.9° | 110.7° |
C23 | C4 | H9 | 107.0° | 108.7° |
C4 | C23 | H26 | 109.6° | 109.3° |
C4 | C23 | H27 | 109.6° | 109.2° |
C5 | C6 | N1 | 119.7° | 119.3° |
C5 | C6 | O2 | 119.1° | 120.3° |
C6 | C5 | H10 | 108.3° | 108.9° |
C6 | C5 | H11 | 108.3° | 108.9° |
N1 | C6 | O2 | 121.2° | 120.3° |
C6 | N1 | C7 | 119.3° | 117.1° |
C6 | N1 | H12 | 120.3° | 121.4° |
N1 | C7 | C8 | 107.1° | 109.2° |
N1 | C7 | C17 | 112.7° | 109.6° |
N1 | C7 | H | 109.8° | 109.5° |
C7 | N1 | H12 | 120.4° | 121.5° |
C8 | C7 | C17 | 108.8° | 109.5° |
C7 | C8 | N2 | 117.0° | 118.9° |
C7 | C8 | O1 | 121.2° | 120.6° |
C8 | C7 | H | 109.3° | 109.5° |
C7 | C17 | C18 | 120.1° | 120.0° |
C7 | C17 | C22 | 120.8° | 119.9° |
C17 | C7 | H | 109.1° | 109.5° |
N2 | C8 | O1 | 121.7° | 120.5° |
C8 | N2 | C9 | 124.3° | 115.7° |
C8 | N2 | H13 | 117.8° | 122.2° |
N2 | C9 | C10 | 109.5° | 109.7° |
N2 | C9 | C45 | 111.0° | 108.5° |
N2 | C9 | H1 | 108.4° | 109.7° |
C9 | N2 | H13 | 117.8° | 122.2° |
C10 | C9 | C45 | 112.2° | 109.7° |
C9 | C10 | C11 | 109.8° | 109.5° |
C10 | C9 | H1 | 107.6° | 109.6° |
C9 | C10 | H15 | 109.4° | 109.4° |
C9 | C10 | H14 | 109.4° | 109.4° |
C9 | C45 | N5 | 121.5° | 118.4° |
C9 | C45 | O6 | 118.2° | 120.8° |
C45 | C9 | H1 | 107.9° | 109.7° |
C10 | C11 | C12 | 120.5° | 120.0° |
C10 | C11 | C16 | 120.3° | 120.0° |
C11 | C10 | H15 | 109.4° | 109.5° |
C11 | C10 | H14 | 109.4° | 109.5° |
C12 | C11 | C16 | 119.3° | 120.0° |
C11 | C12 | C13 | 120.3° | 120.0° |
C11 | C12 | H16 | 119.8° | 120.1° |
C11 | C16 | C15 | 120.5° | 120.0° |
C11 | C16 | H20 | 119.8° | 120.0° |
C12 | C13 | C14 | 120.1° | 119.9° |
C12 | C13 | H17 | 120.0° | 120.0° |
C13 | C12 | H16 | 119.8° | 119.9° |
C13 | C14 | C15 | 119.8° | 120.0° |
C13 | C14 | H18 | 120.1° | 119.9° |
C14 | C13 | H17 | 120.0° | 120.1° |
C14 | C15 | C16 | 120.0° | 120.0° |
C14 | C15 | H19 | 120.0° | 120.0° |
C15 | C14 | H18 | 120.1° | 120.1° |
C15 | C16 | H20 | 119.7° | 120.0° |
C16 | C15 | H19 | 120.0° | 120.0° |
C18 | C17 | C22 | 119.1° | 120.0° |
C17 | C18 | C19 | 120.6° | 120.0° |
C17 | C18 | H21 | 119.7° | 119.9° |
C17 | C22 | C21 | 120.2° | 119.9° |
C17 | C22 | H25 | 119.9° | 120.0° |
C18 | C19 | C20 | 120.2° | 120.0° |
C18 | C19 | H22 | 119.9° | 120.0° |
C19 | C18 | H21 | 119.7° | 120.1° |
C19 | C20 | C21 | 119.4° | 119.9° |
C19 | C20 | H23 | 120.3° | 120.0° |
C20 | C19 | H22 | 119.9° | 120.0° |
C20 | C21 | C22 | 120.4° | 120.1° |
C20 | C21 | H24 | 119.8° | 119.9° |
C21 | C20 | H23 | 120.3° | 120.0° |
C21 | C22 | H25 | 119.9° | 120.0° |
C22 | C21 | H24 | 119.8° | 120.0° |
C24 | C23 | H26 | 109.6° | 109.3° |
C24 | C23 | H27 | 109.6° | 109.2° |
C23 | C24 | H29 | 109.0° | 109.3° |
C23 | C24 | H28 | 109.0° | 109.3° |
C25 | O3 | C26 | 122.6° | 118.5° |
O3 | C25 | H30 | 110.2° | 109.4° |
O3 | C25 | H31 | 110.2° | 109.4° |
O3 | C26 | C27 | 119.6° | 120.9° |
O3 | C26 | C33 | 119.5° | 119.3° |
C27 | C26 | C33 | 120.9° | 119.9° |
C26 | C27 | O4 | 118.0° | 120.1° |
C26 | C27 | C30 | 119.6° | 119.8° |
C26 | C33 | C32 | 119.0° | 120.1° |
C26 | C33 | C34 | 119.9° | 118.9° |
O4 | C27 | C30 | 122.4° | 120.1° |
C27 | O4 | C28 | 125.0° | 117.0° |
C27 | C30 | C31 | 119.8° | 120.0° |
C27 | C30 | H37 | 120.1° | 120.0° |
O4 | C28 | C29 | 108.1° | 109.5° |
O4 | C28 | H33 | 109.8° | 109.5° |
O4 | C28 | H32 | 109.8° | 109.5° |
C29 | C28 | H33 | 109.8° | 109.4° |
C29 | C28 | H32 | 109.8° | 109.5° |
C28 | C29 | H36 | 109.5° | 109.5° |
C28 | C29 | H35 | 109.5° | 109.4° |
C28 | C29 | H34 | 109.4° | 109.5° |
C30 | C31 | C32 | 120.5° | 120.3° |
C30 | C31 | H38 | 119.8° | 119.9° |
C31 | C30 | H37 | 120.1° | 120.0° |
C31 | C32 | C33 | 120.3° | 120.1° |
C31 | C32 | H39 | 119.8° | 119.9° |
C32 | C31 | H38 | 119.8° | 119.9° |
C32 | C33 | C34 | 121.1° | 121.0° |
C33 | C32 | H39 | 119.9° | 120.0° |
C33 | C34 | N3 | 108.9° | 111.1° |
C33 | C34 | H41 | 109.6° | 109.2° |
C33 | C34 | H40 | 109.6° | 109.2° |
C34 | N3 | C35 | 125.0° | 116.4° |
C34 | N3 | H42 | 105.5° | 121.7° |
N3 | C34 | H41 | 109.6° | 109.1° |
N3 | C34 | H40 | 109.6° | 109.2° |
N3 | C35 | C36 | 125.7° | 120.3° |
N3 | C35 | C38 | 115.7° | 119.7° |
C35 | N3 | H42 | 105.5° | 121.8° |
C36 | C35 | C38 | 118.5° | 120.0° |
C35 | C36 | C37 | 120.0° | 119.9° |
C35 | C36 | H43 | 120.0° | 120.0° |
C35 | C38 | C39 | 121.4° | 119.8° |
C35 | C38 | H45 | 119.3° | 120.1° |
C36 | C37 | C40 | 120.4° | 120.1° |
C36 | C37 | H44 | 119.8° | 119.9° |
C37 | C36 | H43 | 120.0° | 120.1° |
C37 | C40 | C39 | 118.9° | 120.0° |
C37 | C40 | C41 | 123.2° | 120.4° |
C40 | C37 | H44 | 119.8° | 120.0° |
C38 | C39 | C40 | 120.7° | 120.2° |
C38 | C39 | H46 | 119.6° | 119.9° |
C39 | C38 | H45 | 119.3° | 120.1° |
C39 | C40 | C41 | 117.9° | 119.6° |
C40 | C39 | H46 | 119.6° | 119.9° |
C40 | C41 | C42 | 111.1° | 110.1° |
C40 | C41 | H48 | 109.1° | 109.4° |
C40 | C41 | H47 | 109.1° | 109.2° |
C41 | C42 | C43 | 109.2° | 109.5° |
C41 | C42 | N5 | 111.5° | 109.3° |
C41 | C42 | H2 | 106.9° | 109.5° |
C42 | C41 | H48 | 109.1° | 109.3° |
C42 | C41 | H47 | 109.1° | 109.3° |
C43 | C42 | N5 | 114.2° | 109.5° |
C42 | C43 | N4 | 129.1° | 120.0° |
C42 | C43 | O5 | 115.1° | 120.0° |
C43 | C42 | H2 | 107.1° | 109.5° |
C42 | N5 | C45 | 122.3° | 116.5° |
C42 | N5 | H53 | 118.8° | 121.7° |
N5 | C42 | H2 | 107.6° | 109.5° |
N4 | C43 | O5 | 115.8° | 120.0° |
C43 | N4 | C44 | 126.7° | 120.0° |
C43 | N4 | H49 | 116.6° | 120.0° |
C44 | N4 | H49 | 116.7° | 120.0° |
N4 | C44 | H50 | 109.5° | 109.5° |
N4 | C44 | H52 | 109.5° | 109.5° |
N4 | C44 | H51 | 109.5° | 109.4° |
N5 | C45 | O6 | 120.3° | 120.8° |
C45 | N5 | H53 | 118.9° | 121.8° |
H15 | C10 | H14 | 109.5° | 109.5° |
H10 | C5 | H11 | 109.5° | 108.9° |
H7 | C3 | H8 | 109.5° | 109.3° |
H5 | C2 | H6 | 109.5° | 109.3° |
H26 | C23 | H27 | 109.5° | 109.2° |
H29 | C24 | H28 | 109.5° | 109.3° |
H50 | C44 | H52 | 109.5° | 109.5° |
H50 | C44 | H51 | 109.5° | 109.4° |
H52 | C44 | H51 | 109.5° | 109.5° |
H48 | C41 | H47 | 109.4° | 109.4° |
H41 | C34 | H40 | 109.4° | 109.2° |
H30 | C25 | H31 | 109.5° | 109.4° |
H33 | C28 | H32 | 109.4° | 109.4° |
H36 | C29 | H35 | 109.5° | 109.4° |
H36 | C29 | H34 | 109.5° | 109.5° |
H35 | C29 | H34 | 109.5° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O | C | N | C25 | 179.3° | 179.7° |
O | C | N | C1 | 0.4° | 2.5° |
O | C | C25 | O3 | 138.9° | 31.8° |
O | C | N | H3 | 179.6° | 177.5° |
O | C | C25 | H30 | 101.6° | 151.9° |
O | C | C25 | H31 | 19.4° | 87.9° |
C | N | C1 | H3 | 180.0° | 180.0° |
C | N | C1 | C2 | 169.6° | 18.5° |
C | N | C1 | C24 | 70.2° | 139.2° |
N | C | C25 | O3 | 40.4° | 148.5° |
C | N | C1 | H4 | 51.7° | 101.3° |
N | C | C25 | H30 | 79.1° | 28.4° |
N | C | C25 | H31 | 159.9° | 91.7° |
C25 | C | N | C1 | 178.9° | 177.2° |
C | C25 | O3 | H30 | 119.5° | 120.3° |
C | C25 | O3 | H31 | 119.5° | 119.8° |
C | C25 | O3 | C26 | 149.0° | 174.1° |
C25 | C | N | H3 | 1.1° | 2.8° |
C | C25 | H30 | H31 | 121.5° | 120.2° |
N | C1 | C2 | C24 | 121.4° | 121.3° |
N | C1 | C2 | H4 | 118.5° | 119.6° |
N | C1 | C24 | H4 | 122.5° | 119.6° |
N | C1 | C2 | C3 | 67.9° | 177.6° |
N | C1 | C24 | C23 | 62.3° | 125.7° |
N | C1 | C2 | H5 | 171.5° | 62.2° |
N | C1 | C2 | H6 | 52.7° | 57.4° |
N | C1 | C24 | H29 | 57.9° | 114.0° |
N | C1 | C24 | H28 | 177.4° | 5.4° |
C2 | C1 | C24 | H4 | 120.1° | 119.3° |
C1 | C2 | C3 | H5 | 120.6° | 120.2° |
C1 | C2 | C3 | H6 | 120.6° | 120.1° |
C1 | C2 | C3 | C4 | 54.2° | 56.5° |
C2 | C1 | C24 | C23 | 55.1° | 4.6° |
C1 | C2 | C3 | H7 | 174.2° | 176.8° |
C1 | C2 | C3 | H8 | 65.7° | 63.7° |
C1 | C2 | H5 | H6 | 118.2° | 119.5° |
C2 | C1 | C24 | H29 | 175.3° | 124.9° |
C2 | C1 | C24 | H28 | 65.2° | 115.6° |
C2 | C1 | N | H3 | 10.4° | 161.5° |
C24 | C1 | C2 | C3 | 53.5° | 61.1° |
C1 | C24 | C23 | C4 | 58.1° | 55.7° |
C1 | C24 | C23 | H29 | 120.3° | 120.2° |
C1 | C24 | C23 | H28 | 120.3° | 120.1° |
C24 | C1 | C2 | H5 | 67.1° | 59.1° |
C24 | C1 | C2 | H6 | 174.1° | 178.7° |
C1 | C24 | C23 | H26 | 178.0° | 176.1° |
C1 | C24 | C23 | H27 | 61.8° | 64.5° |
C1 | C24 | H29 | H28 | 119.2° | 119.3° |
C24 | C1 | N | H3 | 109.8° | 40.8° |
C2 | C3 | C4 | H7 | 120.0° | 120.3° |
C2 | C3 | C4 | H8 | 120.0° | 120.1° |
C2 | C3 | C4 | C5 | 174.7° | 127.0° |
C2 | C3 | C4 | C23 | 57.5° | 3.8° |
C2 | C3 | C4 | H9 | 59.4° | 114.1° |
C2 | C3 | H7 | H8 | 120.1° | 119.4° |
C3 | C2 | H5 | H6 | 118.3° | 119.7° |
C3 | C2 | C1 | H4 | 173.6° | 57.9° |
C3 | C4 | C5 | C23 | 126.2° | 121.8° |
C3 | C4 | C5 | H9 | 115.3° | 118.0° |
C3 | C4 | C23 | H9 | 116.9° | 117.3° |
C3 | C4 | C5 | C6 | 179.0° | 106.9° |
C3 | C4 | C23 | C24 | 60.0° | 60.3° |
C3 | C4 | C5 | H10 | 60.4° | 13.7° |
C3 | C4 | C5 | H11 | 58.3° | 132.5° |
C4 | C3 | H7 | H8 | 120.1° | 119.6° |
C4 | C3 | C2 | H5 | 66.4° | 63.7° |
C4 | C3 | C2 | H6 | 174.8° | 176.6° |
C3 | C4 | C23 | H26 | 179.8° | 179.3° |
C3 | C4 | C23 | H27 | 59.9° | 59.9° |
C5 | C4 | C23 | H9 | 118.5° | 120.4° |
C4 | C5 | C6 | H10 | 120.7° | 120.7° |
C4 | C5 | C6 | H11 | 120.6° | 120.6° |
C4 | C5 | C6 | N1 | 103.4° | 160.9° |
C4 | C5 | C6 | O2 | 74.6° | 19.1° |
C5 | C4 | C23 | C24 | 175.4° | 177.5° |
C4 | C5 | H10 | H11 | 118.0° | 118.7° |
C5 | C4 | C3 | H7 | 54.7° | 6.7° |
C5 | C4 | C3 | H8 | 65.3° | 112.9° |
C5 | C4 | C23 | H26 | 55.5° | 57.1° |
C5 | C4 | C23 | H27 | 64.7° | 62.3° |
C23 | C4 | C5 | C6 | 52.7° | 14.9° |
C4 | C23 | C24 | H26 | 119.9° | 120.3° |
C4 | C23 | C24 | H27 | 119.9° | 120.3° |
C23 | C4 | C5 | H10 | 173.4° | 135.5° |
C23 | C4 | C5 | H11 | 67.9° | 105.8° |
C23 | C4 | C3 | H7 | 177.5° | 116.5° |
C23 | C4 | C3 | H8 | 62.4° | 123.9° |
C4 | C23 | H26 | H27 | 120.3° | 119.4° |
C4 | C23 | C24 | H29 | 178.4° | 64.5° |
C4 | C23 | C24 | H28 | 62.1° | 175.9° |
C5 | C6 | N1 | O2 | 178.0° | 180.0° |
C5 | C6 | N1 | C7 | 173.4° | 178.7° |
C5 | C6 | N1 | H12 | 6.6° | 1.3° |
C6 | C5 | H10 | H11 | 117.9° | 118.7° |
C6 | C5 | C4 | H9 | 65.7° | 135.1° |
C6 | N1 | C7 | H12 | 180.0° | 180.0° |
C6 | N1 | C7 | C8 | 152.0° | 116.6° |
C6 | N1 | C7 | C17 | 88.4° | 123.5° |
C6 | N1 | C7 | H | 33.4° | 3.4° |
N1 | C6 | C5 | H10 | 135.9° | 40.2° |
N1 | C6 | C5 | H11 | 17.2° | 78.5° |
O2 | C6 | N1 | C7 | 4.6° | 1.3° |
O2 | C6 | N1 | H12 | 175.4° | 178.8° |
O2 | C6 | C5 | H10 | 46.0° | 139.8° |
O2 | C6 | C5 | H11 | 164.7° | 101.5° |
N1 | C7 | C8 | C17 | 122.1° | 120.0° |
N1 | C7 | C8 | H | 118.9° | 120.0° |
N1 | C7 | C17 | H | 122.2° | 120.1° |
N1 | C7 | C8 | N2 | 153.9° | 178.3° |
N1 | C7 | C8 | O1 | 27.2° | 1.7° |
N1 | C7 | C17 | C18 | 118.9° | 140.2° |
N1 | C7 | C17 | C22 | 61.1° | 40.0° |
C8 | C7 | C17 | H | 119.1° | 120.1° |
C7 | C8 | N2 | O1 | 178.9° | 180.0° |
C7 | C8 | N2 | C9 | 173.1° | 177.0° |
C8 | C7 | C17 | C18 | 122.5° | 100.0° |
C8 | C7 | C17 | C22 | 57.6° | 79.7° |
C7 | C8 | N2 | H13 | 6.9° | 2.9° |
C8 | C7 | N1 | H12 | 28.1° | 63.5° |
C17 | C7 | C8 | N2 | 84.0° | 61.7° |
C17 | C7 | C8 | O1 | 94.9° | 118.3° |
C7 | C17 | C18 | C22 | 179.9° | 179.8° |
C7 | C17 | C18 | C19 | 179.9° | 179.7° |
C7 | C17 | C22 | C21 | 179.8° | 180.0° |
C7 | C17 | C22 | H25 | 0.1° | 0.0° |
C7 | C17 | C18 | H21 | 0.1° | 0.1° |
C17 | C7 | N1 | H12 | 91.5° | 56.5° |
C8 | N2 | C9 | H13 | 180.0° | 179.9° |
C8 | N2 | C9 | C10 | 146.4° | 128.1° |
C8 | N2 | C9 | C45 | 89.2° | 112.1° |
C8 | N2 | C9 | H1 | 29.2° | 7.7° |
N2 | C8 | C7 | H | 35.0° | 58.4° |
O1 | C8 | N2 | C9 | 5.8° | 3.0° |
O1 | C8 | N2 | H13 | 174.2° | 177.1° |
O1 | C8 | C7 | H | 146.1° | 121.7° |
N2 | C9 | C10 | C45 | 123.7° | 119.0° |
N2 | C9 | C10 | H1 | 117.7° | 120.5° |
N2 | C9 | C45 | H1 | 118.7° | 119.7° |
N2 | C9 | C10 | C11 | 70.6° | 66.0° |
N2 | C9 | C45 | N5 | 8.1° | 159.4° |
N2 | C9 | C45 | O6 | 169.5° | 20.9° |
N2 | C9 | C10 | H15 | 169.3° | 174.0° |
N2 | C9 | C10 | H14 | 49.4° | 54.0° |
C10 | C9 | C45 | H1 | 118.4° | 120.5° |
C9 | C10 | C11 | H15 | 120.1° | 120.0° |
C9 | C10 | C11 | H14 | 120.0° | 119.9° |
C9 | C10 | C11 | C12 | 77.4° | 90.0° |
C9 | C10 | C11 | C16 | 103.0° | 89.7° |
C10 | C9 | C45 | N5 | 114.8° | 39.6° |
C10 | C9 | C45 | O6 | 67.6° | 140.7° |
C9 | C10 | H15 | H14 | 119.9° | 120.0° |
C10 | C9 | N2 | H13 | 33.6° | 52.0° |
C45 | C9 | C10 | C11 | 165.7° | 175.0° |
C9 | C45 | N5 | C42 | 175.3° | 168.5° |
C9 | C45 | N5 | O6 | 177.5° | 179.7° |
C45 | C9 | C10 | H15 | 45.6° | 55.0° |
C45 | C9 | C10 | H14 | 74.3° | 65.0° |
C45 | C9 | N2 | H13 | 90.8° | 67.8° |
C9 | C45 | N5 | H53 | 4.7° | 11.4° |
C10 | C11 | C12 | C16 | 179.6° | 179.7° |
C10 | C11 | C12 | C13 | 179.9° | 179.6° |
C10 | C11 | C16 | C15 | 179.8° | 180.0° |
C11 | C10 | C9 | H1 | 47.1° | 54.5° |
C11 | C10 | H15 | H14 | 119.8° | 120.0° |
C10 | C11 | C16 | H20 | 0.1° | 0.0° |
C10 | C11 | C12 | H16 | 0.1° | 0.0° |
C11 | C12 | C13 | H16 | 180.0° | 179.6° |
C11 | C12 | C13 | C14 | 0.4° | 0.6° |
C12 | C11 | C16 | C15 | 0.3° | 0.3° |
C12 | C11 | C10 | H15 | 162.5° | 30.0° |
C12 | C11 | C10 | H14 | 42.6° | 150.0° |
C12 | C11 | C16 | H20 | 179.7° | 179.7° |
C11 | C12 | C13 | H17 | 179.6° | 179.7° |
C16 | C11 | C12 | C13 | 0.3° | 0.6° |
C11 | C16 | C15 | C14 | 0.3° | 0.0° |
C11 | C16 | C15 | H20 | 180.0° | 180.0° |
C16 | C11 | C10 | H15 | 17.1° | 150.3° |
C16 | C11 | C10 | H14 | 137.0° | 30.2° |
C11 | C16 | C15 | H19 | 179.7° | 180.0° |
C16 | C11 | C12 | H16 | 179.7° | 179.7° |
C12 | C13 | C14 | H17 | 180.0° | 179.7° |
C12 | C13 | C14 | C15 | 0.4° | 0.3° |
C12 | C13 | C14 | H18 | 179.6° | 179.7° |
C13 | C14 | C15 | H18 | 180.0° | 180.0° |
C13 | C14 | C15 | C16 | 0.3° | 0.0° |
C13 | C14 | C15 | H19 | 179.6° | 179.9° |
C14 | C13 | C12 | H16 | 179.6° | 179.7° |
C14 | C15 | C16 | H19 | 180.0° | 179.9° |
C14 | C15 | C16 | H20 | 179.7° | 180.0° |
C15 | C14 | C13 | H17 | 179.6° | 180.0° |
C16 | C15 | C14 | H18 | 179.6° | 180.0° |
C17 | C18 | C19 | H21 | 180.0° | 179.8° |
C17 | C18 | C19 | C20 | 0.1° | 0.5° |
C18 | C17 | C22 | C21 | 0.2° | 0.2° |
C18 | C17 | C7 | H | 3.4° | 20.1° |
C18 | C17 | C22 | H25 | 179.8° | 179.8° |
C17 | C18 | C19 | H22 | 180.0° | 179.7° |
C22 | C17 | C18 | C19 | 0.2° | 0.5° |
C17 | C22 | C21 | C20 | 0.1° | 0.1° |
C17 | C22 | C21 | H25 | 180.0° | 180.0° |
C22 | C17 | C7 | H | 176.7° | 160.2° |
C17 | C22 | C21 | H24 | 179.9° | 180.0° |
C22 | C17 | C18 | H21 | 179.8° | 179.7° |
C18 | C19 | C20 | H22 | 180.0° | 179.8° |
C18 | C19 | C20 | C21 | 0.0° | 0.2° |
C18 | C19 | C20 | H23 | 180.0° | 179.7° |
C19 | C20 | C21 | H23 | 180.0° | 180.0° |
C19 | C20 | C21 | C22 | 0.0° | 0.1° |
C19 | C20 | C21 | H24 | 180.0° | 180.0° |
C20 | C19 | C18 | H21 | 179.9° | 179.7° |
C20 | C21 | C22 | H24 | 180.0° | 179.9° |
C20 | C21 | C22 | H25 | 179.9° | 179.9° |
C21 | C20 | C19 | H22 | 180.0° | 180.0° |
C22 | C21 | C20 | H23 | 180.0° | 180.0° |
C24 | C23 | C4 | H9 | 57.0° | 57.0° |
C24 | C23 | H26 | H27 | 120.3° | 119.4° |
C23 | C24 | H29 | H28 | 119.2° | 119.6° |
C23 | C24 | C1 | H4 | 175.2° | 114.7° |
C25 | O3 | C26 | C27 | 77.2° | 25.4° |
C25 | O3 | C26 | C33 | 102.8° | 155.1° |
O3 | C25 | H30 | H31 | 121.4° | 119.8° |
O3 | C26 | C27 | C33 | 180.0° | 179.5° |
O3 | C26 | C27 | O4 | 0.4° | 0.7° |
O3 | C26 | C27 | C30 | 179.8° | 179.3° |
O3 | C26 | C33 | C32 | 179.9° | 179.5° |
O3 | C26 | C33 | C34 | 0.5° | 0.0° |
C26 | O3 | C25 | H30 | 29.5° | 65.6° |
C26 | O3 | C25 | H31 | 91.5° | 54.3° |
C26 | C27 | O4 | C30 | 179.4° | 180.0° |
C26 | C27 | O4 | C28 | 167.9° | 180.0° |
C26 | C27 | C30 | C31 | 0.4° | 0.1° |
C27 | C26 | C33 | C32 | 0.1° | 0.0° |
C27 | C26 | C33 | C34 | 179.4° | 179.5° |
C26 | C27 | C30 | H37 | 179.6° | 179.8° |
C33 | C26 | C27 | O4 | 179.7° | 179.8° |
C33 | C26 | C27 | C30 | 0.2° | 0.2° |
C26 | C33 | C32 | C31 | 0.1° | 0.2° |
C26 | C33 | C32 | C34 | 179.5° | 179.5° |
C26 | C33 | C34 | N3 | 58.4° | 167.0° |
C26 | C33 | C34 | H41 | 178.3° | 72.6° |
C26 | C33 | C34 | H40 | 61.5° | 46.6° |
C26 | C33 | C32 | H39 | 179.9° | 179.7° |
C27 | O4 | C28 | C29 | 172.6° | 180.0° |
O4 | C27 | C30 | C31 | 179.8° | 179.9° |
O4 | C27 | C30 | H37 | 0.2° | 0.2° |
C27 | O4 | C28 | H33 | 52.8° | 60.0° |
C27 | O4 | C28 | H32 | 67.6° | 59.9° |
C30 | C27 | O4 | C28 | 12.7° | 0.1° |
C27 | C30 | C31 | H37 | 180.0° | 179.9° |
C27 | C30 | C31 | C32 | 0.4° | 0.1° |
C27 | C30 | C31 | H38 | 179.6° | 179.9° |
O4 | C28 | C29 | H33 | 119.8° | 120.0° |
O4 | C28 | C29 | H32 | 119.8° | 120.0° |
O4 | C28 | H33 | H32 | 120.7° | 120.0° |
O4 | C28 | C29 | H36 | 180.0° | 180.0° |
O4 | C28 | C29 | H35 | 60.0° | 60.1° |
O4 | C28 | C29 | H34 | 60.0° | 60.0° |
C29 | C28 | H33 | H32 | 120.6° | 120.0° |
C28 | C29 | H36 | H35 | 120.0° | 119.9° |
C28 | C29 | H36 | H34 | 120.0° | 120.1° |
C28 | C29 | H35 | H34 | 120.0° | 120.0° |
C30 | C31 | C32 | H38 | 180.0° | 180.0° |
C30 | C31 | C32 | C33 | 0.3° | 0.3° |
C30 | C31 | C32 | H39 | 179.7° | 179.6° |
C31 | C32 | C33 | H39 | 180.0° | 179.9° |
C31 | C32 | C33 | C34 | 179.4° | 179.3° |
C32 | C31 | C30 | H37 | 179.6° | 179.9° |
C32 | C33 | C34 | N3 | 122.1° | 13.5° |
C32 | C33 | C34 | H41 | 2.2° | 106.8° |
C32 | C33 | C34 | H40 | 117.9° | 133.9° |
C33 | C32 | C31 | H38 | 179.7° | 179.7° |
C33 | C34 | N3 | H41 | 119.9° | 120.4° |
C33 | C34 | N3 | H40 | 119.9° | 120.4° |
C33 | C34 | N3 | C35 | 119.0° | 178.7° |
C33 | C34 | N3 | H42 | 3.1° | 1.3° |
C33 | C34 | H41 | H40 | 120.3° | 119.2° |
C34 | C33 | C32 | H39 | 0.6° | 0.9° |
C34 | N3 | C35 | H42 | 122.1° | 180.0° |
C34 | N3 | C35 | C36 | 10.4° | 110.5° |
C34 | N3 | C35 | C38 | 166.0° | 66.5° |
N3 | C34 | H41 | H40 | 120.3° | 119.2° |
N3 | C35 | C36 | C38 | 176.3° | 177.0° |
N3 | C35 | C36 | C37 | 178.0° | 174.3° |
N3 | C35 | C38 | C39 | 178.2° | 174.5° |
N3 | C35 | C36 | H43 | 2.0° | 5.6° |
N3 | C35 | C38 | H45 | 1.8° | 5.6° |
C35 | N3 | C34 | H41 | 121.1° | 58.4° |
C35 | N3 | C34 | H40 | 0.9° | 60.9° |
C35 | C36 | C37 | H43 | 180.0° | 180.0° |
C35 | C36 | C37 | C40 | 0.7° | 0.5° |
C36 | C35 | C38 | C39 | 1.5° | 2.5° |
C35 | C36 | C37 | H44 | 179.3° | 179.5° |
C36 | C35 | C38 | H45 | 178.5° | 177.4° |
C36 | C35 | N3 | H42 | 132.5° | 69.5° |
C38 | C35 | C36 | C37 | 1.7° | 2.7° |
C35 | C38 | C39 | H45 | 180.0° | 180.0° |
C35 | C38 | C39 | C40 | 0.4° | 0.3° |
C38 | C35 | C36 | H43 | 178.3° | 177.4° |
C35 | C38 | C39 | H46 | 179.6° | 179.7° |
C38 | C35 | N3 | H42 | 43.9° | 113.5° |
C36 | C37 | C40 | H44 | 180.0° | 180.0° |
C36 | C37 | C40 | C39 | 0.4° | 1.8° |
C36 | C37 | C40 | C41 | 179.2° | 178.9° |
C37 | C40 | C39 | C38 | 0.5° | 1.9° |
C37 | C40 | C39 | C41 | 178.9° | 179.3° |
C37 | C40 | C41 | C42 | 105.7° | 48.8° |
C37 | C40 | C41 | H48 | 14.5° | 71.4° |
C37 | C40 | C41 | H47 | 134.0° | 168.9° |
C40 | C37 | C36 | H43 | 179.3° | 179.5° |
C37 | C40 | C39 | H46 | 179.5° | 178.1° |
C38 | C39 | C40 | H46 | 180.0° | 180.0° |
C38 | C39 | C40 | C41 | 179.5° | 178.7° |
C39 | C40 | C41 | C42 | 75.4° | 131.9° |
C39 | C40 | C41 | H48 | 164.3° | 107.9° |
C39 | C40 | C41 | H47 | 44.9° | 11.7° |
C39 | C40 | C37 | H44 | 179.6° | 178.2° |
C40 | C39 | C38 | H45 | 179.6° | 179.7° |
C40 | C41 | C42 | H48 | 120.3° | 120.3° |
C40 | C41 | C42 | H47 | 120.3° | 120.0° |
C40 | C41 | C42 | C43 | 161.8° | 6.4° |
C40 | C41 | C42 | N5 | 71.1° | 113.5° |
C40 | C41 | C42 | H2 | 46.3° | 126.6° |
C40 | C41 | H48 | H47 | 119.3° | 119.6° |
C41 | C40 | C37 | H44 | 0.7° | 1.1° |
C41 | C40 | C39 | H46 | 0.5° | 1.2° |
C41 | C42 | C43 | N5 | 125.5° | 119.8° |
C41 | C42 | C43 | H2 | 115.4° | 120.1° |
C41 | C42 | N5 | H2 | 117.0° | 119.9° |
C41 | C42 | C43 | N4 | 105.3° | 125.0° |
C41 | C42 | C43 | O5 | 74.8° | 55.0° |
C41 | C42 | N5 | C45 | 137.7° | 128.0° |
C41 | C42 | N5 | H53 | 42.3° | 52.1° |
C42 | C41 | H48 | H47 | 119.2° | 119.7° |
C43 | C42 | N5 | H2 | 118.7° | 120.1° |
C42 | C43 | N4 | O5 | 179.9° | 180.0° |
C42 | C43 | N4 | C44 | 0.6° | 175.0° |
C43 | C42 | N5 | C45 | 98.0° | 8.0° |
C43 | C42 | N5 | H53 | 82.0° | 172.1° |
C42 | C43 | N4 | H49 | 179.4° | 5.0° |
C43 | C42 | C41 | H48 | 41.6° | 113.8° |
C43 | C42 | C41 | H47 | 77.9° | 126.5° |
N5 | C42 | C43 | N4 | 20.2° | 115.2° |
N5 | C42 | C43 | O5 | 159.7° | 64.8° |
C42 | N5 | C45 | H53 | 180.0° | 179.9° |
C42 | N5 | C45 | O6 | 2.2° | 11.8° |
N5 | C42 | C41 | H48 | 168.6° | 126.3° |
N5 | C42 | C41 | H47 | 49.2° | 6.5° |
C43 | N4 | C44 | H49 | 180.0° | 180.0° |
N4 | C43 | C42 | H2 | 139.2° | 4.9° |
C43 | N4 | C44 | H50 | 180.0° | 180.0° |
C43 | N4 | C44 | H52 | 60.0° | 60.0° |
C43 | N4 | C44 | H51 | 60.0° | 60.0° |
O5 | C43 | N4 | C44 | 179.5° | 5.0° |
O5 | C43 | C42 | H2 | 40.7° | 175.1° |
O5 | C43 | N4 | H49 | 0.5° | 175.0° |
N4 | C44 | H50 | H52 | 120.0° | 120.1° |
N4 | C44 | H50 | H51 | 120.0° | 119.9° |
N4 | C44 | H52 | H51 | 120.0° | 120.0° |
N5 | C45 | C9 | H1 | 126.7° | 80.9° |
C45 | N5 | C42 | H2 | 20.7° | 112.1° |
O6 | C45 | C9 | H1 | 50.8° | 98.9° |
O6 | C45 | N5 | H53 | 177.8° | 168.4° |
H1 | C9 | C10 | H15 | 73.0° | 65.5° |
H1 | C9 | C10 | H14 | 167.1° | 174.5° |
H1 | C9 | N2 | H13 | 150.8° | 172.4° |
H20 | C16 | C15 | H19 | 0.3° | 0.1° |
H19 | C15 | C14 | H18 | 0.4° | 0.0° |
H18 | C14 | C13 | H17 | 0.4° | 0.0° |
H17 | C13 | C12 | H16 | 0.4° | 0.0° |
H | C7 | N1 | H12 | 146.6° | 176.6° |
H25 | C22 | C21 | H24 | 0.1° | 0.0° |
H24 | C21 | C20 | H23 | 0.0° | 0.0° |
H23 | C20 | C19 | H22 | 0.1° | 0.0° |
H22 | C19 | C18 | H21 | 0.0° | 0.1° |
H10 | C5 | C4 | H9 | 55.0° | 104.3° |
H11 | C5 | C4 | H9 | 173.7° | 14.4° |
H9 | C4 | C3 | H7 | 60.6° | 125.6° |
H9 | C4 | C3 | H8 | 179.3° | 6.0° |
H9 | C4 | C23 | H26 | 62.9° | 63.3° |
H9 | C4 | C23 | H27 | 176.8° | 177.3° |
H7 | C3 | C2 | H5 | 53.6° | 56.6° |
H7 | C3 | C2 | H6 | 65.2° | 63.1° |
H8 | C3 | C2 | H5 | 173.7° | 176.1° |
H8 | C3 | C2 | H6 | 54.8° | 56.4° |
H5 | C2 | C1 | H4 | 53.0° | 178.2° |
H6 | C2 | C1 | H4 | 65.8° | 62.2° |
H26 | C23 | C24 | H29 | 61.7° | 55.8° |
H26 | C23 | C24 | H28 | 57.8° | 63.8° |
H27 | C23 | C24 | H29 | 58.5° | 175.2° |
H27 | C23 | C24 | H28 | 178.0° | 55.6° |
H29 | C24 | C1 | H4 | 64.5° | 5.6° |
H28 | C24 | C1 | H4 | 54.9° | 125.0° |
H4 | C1 | N | H3 | 128.3° | 78.8° |
H53 | N5 | C42 | H2 | 159.3° | 67.8° |
H2 | C42 | C41 | H48 | 73.9° | 6.3° |
H2 | C42 | C41 | H47 | 166.6° | 113.4° |
H49 | N4 | C44 | H50 | 0.0° | 0.1° |
H49 | N4 | C44 | H52 | 120.0° | 120.0° |
H49 | N4 | C44 | H51 | 120.0° | 120.0° |
H50 | C44 | H52 | H51 | 120.0° | 120.0° |
H44 | C37 | C36 | H43 | 0.7° | 0.5° |
H46 | C39 | C38 | H45 | 0.4° | 0.3° |
H42 | N3 | C34 | H41 | 116.8° | 121.6° |
H42 | N3 | C34 | H40 | 123.0° | 119.1° |
H39 | C32 | C31 | H38 | 0.3° | 0.4° |
H38 | C31 | C30 | H37 | 0.4° | 0.0° |
H33 | C28 | C29 | H36 | 60.2° | 60.0° |
H33 | C28 | C29 | H35 | 179.8° | 179.9° |
H33 | C28 | C29 | H34 | 59.8° | 60.0° |
H32 | C28 | C29 | H36 | 60.2° | 60.0° |
H32 | C28 | C29 | H35 | 59.8° | 60.0° |
H32 | C28 | C29 | H34 | 179.8° | 180.0° |
H36 | C29 | H35 | H34 | 120.0° | 120.0° |