EM4
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
O7 | C34 | sing | 1.43Å | 1.43Å | |
O6 | C33 | sing | 1.43Å | 1.41Å | |
C34 | C33 | sing | 1.53Å | 1.52Å | |
C34 | C30 | sing | 1.53Å | 1.52Å | |
C29 | O8 | sing | 1.43Å | 1.43Å | |
C29 | C30 | sing | 1.53Å | 1.54Å | |
C33 | C32 | sing | 1.53Å | 1.55Å | |
C30 | O9 | sing | 1.43Å | 1.45Å | |
C32 | O5 | sing | 1.43Å | 1.42Å | |
C32 | C31 | sing | 1.53Å | 1.54Å | |
O9 | C31 | sing | 1.43Å | 1.44Å | |
C31 | O4 | sing | 1.43Å | 1.43Å | |
O4 | C28 | sing | 1.43Å | 1.42Å | |
C1 | C20 | sing | 1.51Å | 1.56Å | |
C1 | C2 | sing | 1.53Å | 1.55Å | |
C28 | C27 | sing | 1.53Å | 1.55Å | |
C20 | N2 | sing | 1.35Å | 1.34Å | |
C20 | O | doub | 1.21Å | 1.23Å | |
C2 | C3 | sing | 1.53Å | 1.55Å | |
C49 | C50 | sing | 1.53Å | 1.52Å | |
C49 | C48 | sing | 1.53Å | 1.51Å | |
N2 | C27 | sing | 1.46Å | 1.49Å | |
C47 | C48 | sing | 1.53Å | 1.53Å | |
C47 | C46 | sing | 1.53Å | 1.53Å | |
C50 | C51 | sing | 1.53Å | 1.53Å | |
C27 | C26 | sing | 1.53Å | 1.53Å | |
C3 | C4 | sing | 1.53Å | 1.56Å | |
C26 | O3 | sing | 1.43Å | 1.43Å | |
C26 | C25 | sing | 1.53Å | 1.55Å | |
C45 | C46 | sing | 1.53Å | 1.53Å | |
C45 | C44 | sing | 1.53Å | 1.56Å | |
C4 | C5 | sing | 1.53Å | 1.54Å | |
C51 | C52 | sing | 1.53Å | 1.52Å | |
C25 | O2 | sing | 1.43Å | 1.42Å | |
C25 | C24 | sing | 1.53Å | 1.51Å | |
C44 | C39 | sing | 1.53Å | 1.51Å | |
C5 | C6 | sing | 1.53Å | 1.55Å | |
C24 | C23 | sing | 1.53Å | 1.54Å | |
C6 | C7 | sing | 1.53Å | 1.53Å | |
C39 | C38 | sing | 1.53Å | 1.55Å | |
C7 | C40 | sing | 1.53Å | 1.55Å | |
C22 | C23 | sing | 1.53Å | 1.54Å | |
C22 | C21 | sing | 1.51Å | 1.57Å | |
C38 | C37 | sing | 1.53Å | 1.52Å | |
C37 | C36 | sing | 1.53Å | 1.51Å | |
C40 | C41 | sing | 1.53Å | 1.54Å | |
C41 | C42 | sing | 1.53Å | 1.52Å | |
C21 | O1 | doub | 1.21Å | 1.24Å | |
C21 | N1 | sing | 1.35Å | 1.32Å | |
N1 | C19 | sing | 1.46Å | 1.47Å | |
C35 | C36 | sing | 1.53Å | 1.54Å | |
C35 | C43 | sing | 1.53Å | 1.53Å | |
C42 | C43 | sing | 1.53Å | 1.54Å | |
C19 | C18 | sing | 1.53Å | 1.52Å | |
C18 | C17 | sing | 1.53Å | 1.52Å | |
C17 | C16 | sing | 1.53Å | 1.52Å | |
C16 | C15 | sing | 1.53Å | 1.55Å | |
C15 | C14 | sing | 1.53Å | 1.53Å | |
C12 | C11 | doub | 1.38Å | 1.37Å | Aromatic |
C12 | C13 | sing | 1.38Å | 1.39Å | Aromatic |
C14 | C13 | sing | 1.51Å | 1.51Å | |
C11 | C10 | sing | 1.38Å | 1.39Å | Aromatic |
C13 | C8 | doub | 1.38Å | 1.39Å | Aromatic |
C10 | C9 | doub | 1.38Å | 1.40Å | Aromatic |
C8 | C9 | sing | 1.38Å | 1.40Å | Aromatic |
C1 | H1 | sing | 1.09Å | 1.10Å | |
C1 | H2 | sing | 1.09Å | 1.10Å | |
C2 | H3 | sing | 1.09Å | 1.10Å | |
C2 | H4 | sing | 1.09Å | 1.10Å | |
C3 | H5 | sing | 1.09Å | 1.10Å | |
C3 | H6 | sing | 1.09Å | 1.10Å | |
C4 | H7 | sing | 1.09Å | 1.10Å | |
C4 | H8 | sing | 1.09Å | 1.10Å | |
C5 | H9 | sing | 1.09Å | 1.10Å | |
C5 | H10 | sing | 1.09Å | 1.10Å | |
C6 | H11 | sing | 1.09Å | 1.10Å | |
C6 | H12 | sing | 1.09Å | 1.10Å | |
C7 | H13 | sing | 1.09Å | 1.10Å | |
C7 | H14 | sing | 1.09Å | 1.10Å | |
O3 | H15 | sing | 0.97Å | 0.95Å | |
O5 | H16 | sing | 0.97Å | 0.95Å | |
O6 | H17 | sing | 0.97Å | 0.95Å | |
O7 | H18 | sing | 0.97Å | 0.95Å | |
C52 | H19 | sing | 1.09Å | 1.10Å | |
C52 | H20 | sing | 1.09Å | 1.10Å | |
C52 | H21 | sing | 1.09Å | 1.10Å | |
C51 | H22 | sing | 1.09Å | 1.10Å | |
C51 | H23 | sing | 1.09Å | 1.10Å | |
C50 | H24 | sing | 1.09Å | 1.10Å | |
C50 | H25 | sing | 1.09Å | 1.10Å | |
C49 | H26 | sing | 1.09Å | 1.10Å | |
C49 | H27 | sing | 1.09Å | 1.10Å | |
C48 | H28 | sing | 1.09Å | 1.10Å | |
C48 | H29 | sing | 1.09Å | 1.10Å | |
C47 | H30 | sing | 1.09Å | 1.10Å | |
C47 | H31 | sing | 1.09Å | 1.10Å | |
C46 | H32 | sing | 1.09Å | 1.10Å | |
C46 | H33 | sing | 1.09Å | 1.10Å | |
C45 | H34 | sing | 1.09Å | 1.10Å | |
C45 | H35 | sing | 1.09Å | 1.10Å | |
C44 | H36 | sing | 1.09Å | 1.10Å | |
C44 | H37 | sing | 1.09Å | 1.10Å | |
C39 | H38 | sing | 1.09Å | 1.10Å | |
C39 | H39 | sing | 1.09Å | 1.10Å | |
C38 | H40 | sing | 1.09Å | 1.10Å | |
C38 | H41 | sing | 1.09Å | 1.10Å | |
C37 | H42 | sing | 1.09Å | 1.10Å | |
C37 | H43 | sing | 1.09Å | 1.10Å | |
C36 | H44 | sing | 1.09Å | 1.10Å | |
C36 | H45 | sing | 1.09Å | 1.10Å | |
C35 | H46 | sing | 1.09Å | 1.10Å | |
C35 | H47 | sing | 1.09Å | 1.10Å | |
C43 | H48 | sing | 1.09Å | 1.10Å | |
C43 | H49 | sing | 1.09Å | 1.10Å | |
C42 | H50 | sing | 1.09Å | 1.10Å | |
C42 | H51 | sing | 1.09Å | 1.10Å | |
C41 | H52 | sing | 1.09Å | 1.10Å | |
C41 | H53 | sing | 1.09Å | 1.10Å | |
C40 | H54 | sing | 1.09Å | 1.10Å | |
C40 | H55 | sing | 1.09Å | 1.10Å | |
N2 | H56 | sing | 0.97Å | 1.00Å | |
C27 | H57 | sing | 1.09Å | 1.10Å | |
C28 | H58 | sing | 1.09Å | 1.10Å | |
C28 | H59 | sing | 1.09Å | 1.10Å | |
C31 | H60 | sing | 1.09Å | 1.10Å | |
C30 | H61 | sing | 1.09Å | 1.10Å | |
C29 | H62 | sing | 1.09Å | 1.10Å | |
C29 | H63 | sing | 1.09Å | 1.10Å | |
O8 | H64 | sing | 0.97Å | 0.95Å | |
C34 | H65 | sing | 1.09Å | 1.10Å | |
C33 | H66 | sing | 1.09Å | 1.10Å | |
C32 | H67 | sing | 1.09Å | 1.10Å | |
C26 | H68 | sing | 1.09Å | 1.10Å | |
C25 | H69 | sing | 1.09Å | 1.10Å | |
O2 | H70 | sing | 0.97Å | 0.95Å | |
C24 | H71 | sing | 1.09Å | 1.10Å | |
C24 | H72 | sing | 1.09Å | 1.10Å | |
C23 | H73 | sing | 1.09Å | 1.10Å | |
C23 | H74 | sing | 1.09Å | 1.10Å | |
C22 | H75 | sing | 1.09Å | 1.10Å | |
C22 | H76 | sing | 1.09Å | 1.10Å | |
N1 | H77 | sing | 0.97Å | 1.00Å | |
C19 | H78 | sing | 1.09Å | 1.10Å | |
C19 | H79 | sing | 1.09Å | 1.10Å | |
C18 | H80 | sing | 1.09Å | 1.10Å | |
C18 | H81 | sing | 1.09Å | 1.10Å | |
C17 | H82 | sing | 1.09Å | 1.10Å | |
C17 | H83 | sing | 1.09Å | 1.10Å | |
C16 | H84 | sing | 1.09Å | 1.10Å | |
C16 | H85 | sing | 1.09Å | 1.10Å | |
C15 | H86 | sing | 1.09Å | 1.10Å | |
C15 | H87 | sing | 1.09Å | 1.10Å | |
C14 | H88 | sing | 1.09Å | 1.10Å | |
C14 | H89 | sing | 1.09Å | 1.10Å | |
C12 | H90 | sing | 1.08Å | 1.08Å | |
C11 | H91 | sing | 1.08Å | 1.08Å | |
C10 | H92 | sing | 1.08Å | 1.08Å | |
C9 | H93 | sing | 1.08Å | 1.08Å | |
C8 | H94 | sing | 1.08Å | 1.08Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O7 | C34 | C33 | 110.4° | 109.5° |
O7 | C34 | C30 | 109.4° | 109.6° |
C34 | O7 | H18 | 109.5° | 114.0° |
O7 | C34 | H65 | 110.8° | 109.5° |
O6 | C33 | C34 | 108.9° | 109.6° |
O6 | C33 | C32 | 111.8° | 109.5° |
C33 | O6 | H17 | 109.5° | 114.0° |
O6 | C33 | H66 | 109.4° | 109.6° |
C33 | C34 | C30 | 107.3° | 109.2° |
C34 | C33 | C32 | 111.1° | 109.0° |
C33 | C34 | H65 | 109.4° | 109.5° |
C34 | C33 | H66 | 107.9° | 109.5° |
C34 | C30 | C29 | 109.0° | 109.5° |
C34 | C30 | O9 | 109.1° | 109.4° |
C34 | C30 | H61 | 108.5° | 109.5° |
C30 | C34 | H65 | 109.5° | 109.6° |
O8 | C29 | C30 | 110.0° | 109.5° |
O8 | C29 | H62 | 109.3° | 109.5° |
O8 | C29 | H63 | 109.4° | 109.5° |
C29 | O8 | H64 | 109.5° | 114.0° |
C29 | C30 | O9 | 112.6° | 109.4° |
C29 | C30 | H61 | 108.2° | 109.5° |
C30 | C29 | H62 | 109.3° | 109.4° |
C30 | C29 | H63 | 109.4° | 109.5° |
C33 | C32 | O5 | 109.4° | 109.5° |
C33 | C32 | C31 | 110.5° | 109.1° |
C32 | C33 | H66 | 107.6° | 109.6° |
C33 | C32 | H67 | 108.9° | 109.5° |
C30 | O9 | C31 | 117.4° | 114.1° |
O9 | C30 | H61 | 109.4° | 109.5° |
O5 | C32 | C31 | 108.3° | 109.5° |
C32 | O5 | H16 | 109.5° | 114.0° |
O5 | C32 | H67 | 110.6° | 109.6° |
C32 | C31 | O9 | 110.0° | 109.4° |
C32 | C31 | O4 | 108.8° | 109.5° |
C32 | C31 | H60 | 107.8° | 109.5° |
C31 | C32 | H67 | 109.1° | 109.6° |
O9 | C31 | O4 | 112.1° | 109.5° |
O9 | C31 | H60 | 108.9° | 109.5° |
C31 | O4 | C28 | 118.3° | 114.0° |
O4 | C31 | H60 | 109.1° | 109.5° |
O4 | C28 | C27 | 110.5° | 109.5° |
O4 | C28 | H58 | 109.2° | 109.4° |
O4 | C28 | H59 | 109.2° | 109.5° |
C20 | C1 | C2 | 112.6° | 109.4° |
C1 | C20 | N2 | 117.4° | 120.0° |
C1 | C20 | O | 120.9° | 120.0° |
C20 | C1 | H1 | 108.7° | 109.5° |
C20 | C1 | H2 | 108.7° | 109.5° |
C1 | C2 | C3 | 111.3° | 109.5° |
C2 | C1 | H1 | 108.7° | 109.4° |
C2 | C1 | H2 | 108.7° | 109.5° |
C1 | C2 | H3 | 109.0° | 109.5° |
C1 | C2 | H4 | 109.0° | 109.4° |
C28 | C27 | N2 | 111.8° | 109.4° |
C28 | C27 | C26 | 110.7° | 109.5° |
C28 | C27 | H57 | 107.7° | 109.5° |
C27 | C28 | H58 | 109.2° | 109.5° |
C27 | C28 | H59 | 109.2° | 109.5° |
N2 | C20 | O | 121.6° | 120.0° |
C20 | N2 | C27 | 121.0° | 120.0° |
C20 | N2 | H56 | 119.5° | 120.0° |
C2 | C3 | C4 | 106.3° | 109.5° |
C3 | C2 | H3 | 109.0° | 109.5° |
C3 | C2 | H4 | 109.0° | 109.4° |
C2 | C3 | H5 | 110.2° | 109.5° |
C2 | C3 | H6 | 110.3° | 109.4° |
C50 | C49 | C48 | 108.8° | 109.5° |
C49 | C50 | C51 | 109.6° | 109.5° |
C49 | C50 | H24 | 109.4° | 109.5° |
C49 | C50 | H25 | 109.4° | 109.5° |
C50 | C49 | H26 | 109.6° | 109.5° |
C50 | C49 | H27 | 109.6° | 109.4° |
C49 | C48 | C47 | 110.6° | 109.5° |
C48 | C49 | H26 | 109.7° | 109.5° |
C48 | C49 | H27 | 109.6° | 109.4° |
C49 | C48 | H28 | 109.2° | 109.5° |
C49 | C48 | H29 | 109.2° | 109.4° |
N2 | C27 | C26 | 110.1° | 109.5° |
C27 | N2 | H56 | 119.5° | 120.0° |
N2 | C27 | H57 | 108.4° | 109.5° |
C48 | C47 | C46 | 103.4° | 109.5° |
C47 | C48 | H28 | 109.2° | 109.5° |
C47 | C48 | H29 | 109.2° | 109.5° |
C48 | C47 | H30 | 111.0° | 109.5° |
C48 | C47 | H31 | 111.0° | 109.4° |
C47 | C46 | C45 | 109.2° | 109.5° |
C46 | C47 | H30 | 111.0° | 109.5° |
C46 | C47 | H31 | 111.0° | 109.4° |
C47 | C46 | H32 | 109.5° | 109.5° |
C47 | C46 | H33 | 109.5° | 109.5° |
C50 | C51 | C52 | 103.1° | 109.5° |
C50 | C51 | H22 | 111.0° | 109.5° |
C50 | C51 | H23 | 111.0° | 109.4° |
C51 | C50 | H24 | 109.4° | 109.5° |
C51 | C50 | H25 | 109.5° | 109.5° |
C27 | C26 | O3 | 107.9° | 109.5° |
C27 | C26 | C25 | 114.1° | 109.4° |
C26 | C27 | H57 | 107.9° | 109.5° |
C27 | C26 | H68 | 108.2° | 109.5° |
C3 | C4 | C5 | 107.7° | 109.5° |
C4 | C3 | H5 | 110.2° | 109.5° |
C4 | C3 | H6 | 110.2° | 109.5° |
C3 | C4 | H7 | 109.9° | 109.5° |
C3 | C4 | H8 | 109.9° | 109.5° |
O3 | C26 | C25 | 109.0° | 109.5° |
C26 | O3 | H15 | 109.5° | 114.0° |
O3 | C26 | H68 | 109.6° | 109.5° |
C26 | C25 | O2 | 104.9° | 109.5° |
C26 | C25 | C24 | 113.8° | 109.4° |
C25 | C26 | H68 | 108.0° | 109.5° |
C26 | C25 | H69 | 109.1° | 109.5° |
C46 | C45 | C44 | 112.7° | 109.4° |
C45 | C46 | H32 | 109.5° | 109.4° |
C45 | C46 | H33 | 109.5° | 109.5° |
C46 | C45 | H34 | 108.7° | 109.4° |
C46 | C45 | H35 | 108.6° | 109.5° |
C45 | C44 | C39 | 106.5° | 109.4° |
C44 | C45 | H34 | 108.7° | 109.5° |
C44 | C45 | H35 | 108.7° | 109.5° |
C45 | C44 | H36 | 110.2° | 109.5° |
C45 | C44 | H37 | 110.2° | 109.5° |
C4 | C5 | C6 | 111.9° | 109.5° |
C5 | C4 | H7 | 109.9° | 109.5° |
C5 | C4 | H8 | 109.9° | 109.5° |
C4 | C5 | H9 | 108.9° | 109.5° |
C4 | C5 | H10 | 108.9° | 109.5° |
C51 | C52 | H19 | 109.5° | 109.5° |
C51 | C52 | H20 | 109.5° | 109.5° |
C51 | C52 | H21 | 109.5° | 109.5° |
C52 | C51 | H22 | 111.1° | 109.5° |
C52 | C51 | H23 | 111.0° | 109.4° |
O2 | C25 | C24 | 108.6° | 109.5° |
O2 | C25 | H69 | 110.8° | 109.5° |
C25 | O2 | H70 | 109.5° | 114.0° |
C25 | C24 | C23 | 110.0° | 109.5° |
C24 | C25 | H69 | 109.5° | 109.4° |
C25 | C24 | H71 | 109.4° | 109.5° |
C25 | C24 | H72 | 109.3° | 109.5° |
C44 | C39 | C38 | 112.0° | 109.5° |
C39 | C44 | H36 | 110.2° | 109.4° |
C39 | C44 | H37 | 110.2° | 109.5° |
C44 | C39 | H38 | 108.8° | 109.4° |
C44 | C39 | H39 | 108.9° | 109.5° |
C5 | C6 | C7 | 111.7° | 109.5° |
C6 | C5 | H9 | 108.8° | 109.4° |
C6 | C5 | H10 | 108.9° | 109.5° |
C5 | C6 | H11 | 108.9° | 109.4° |
C5 | C6 | H12 | 108.9° | 109.5° |
C24 | C23 | C22 | 109.6° | 109.5° |
C23 | C24 | H71 | 109.3° | 109.4° |
C23 | C24 | H72 | 109.4° | 109.5° |
C24 | C23 | H73 | 109.4° | 109.5° |
C24 | C23 | H74 | 109.4° | 109.5° |
C6 | C7 | C40 | 109.3° | 109.5° |
C7 | C6 | H11 | 108.9° | 109.5° |
C7 | C6 | H12 | 108.9° | 109.5° |
C6 | C7 | H13 | 109.5° | 109.4° |
C6 | C7 | H14 | 109.5° | 109.4° |
C39 | C38 | C37 | 98.7° | 109.5° |
C38 | C39 | H38 | 108.8° | 109.4° |
C38 | C39 | H39 | 108.8° | 109.5° |
C39 | C38 | H40 | 112.1° | 109.4° |
C39 | C38 | H41 | 112.1° | 109.5° |
C7 | C40 | C41 | 106.0° | 109.5° |
C40 | C7 | H13 | 109.5° | 109.5° |
C40 | C7 | H14 | 109.5° | 109.5° |
C7 | C40 | H54 | 110.3° | 109.4° |
C7 | C40 | H55 | 110.3° | 109.5° |
C23 | C22 | C21 | 108.7° | 109.4° |
C22 | C23 | H73 | 109.5° | 109.5° |
C22 | C23 | H74 | 109.5° | 109.5° |
C23 | C22 | H75 | 109.7° | 109.5° |
C23 | C22 | H76 | 109.6° | 109.5° |
C22 | C21 | O1 | 124.5° | 120.0° |
C22 | C21 | N1 | 115.8° | 120.0° |
C21 | C22 | H75 | 109.7° | 109.4° |
C21 | C22 | H76 | 109.7° | 109.5° |
C38 | C37 | C36 | 112.1° | 109.5° |
C37 | C38 | H40 | 112.1° | 109.4° |
C37 | C38 | H41 | 112.1° | 109.5° |
C38 | C37 | H42 | 108.8° | 109.4° |
C38 | C37 | H43 | 108.8° | 109.5° |
C37 | C36 | C35 | 103.8° | 109.5° |
C36 | C37 | H42 | 108.8° | 109.5° |
C36 | C37 | H43 | 108.8° | 109.5° |
C37 | C36 | H44 | 110.9° | 109.5° |
C37 | C36 | H45 | 110.9° | 109.5° |
C40 | C41 | C42 | 108.7° | 109.5° |
C40 | C41 | H52 | 109.6° | 109.5° |
C40 | C41 | H53 | 109.7° | 109.5° |
C41 | C40 | H54 | 110.3° | 109.4° |
C41 | C40 | H55 | 110.3° | 109.5° |
C41 | C42 | C43 | 108.3° | 109.5° |
C41 | C42 | H50 | 109.8° | 109.5° |
C41 | C42 | H51 | 109.8° | 109.5° |
C42 | C41 | H52 | 109.7° | 109.5° |
C42 | C41 | H53 | 109.6° | 109.5° |
O1 | C21 | N1 | 119.7° | 120.0° |
C21 | N1 | C19 | 121.5° | 120.0° |
C21 | N1 | H77 | 119.2° | 120.0° |
N1 | C19 | C18 | 109.2° | 109.5° |
C19 | N1 | H77 | 119.3° | 120.0° |
N1 | C19 | H78 | 109.6° | 109.5° |
N1 | C19 | H79 | 109.5° | 109.4° |
C36 | C35 | C43 | 108.5° | 109.5° |
C35 | C36 | H44 | 110.9° | 109.5° |
C35 | C36 | H45 | 110.9° | 109.5° |
C36 | C35 | H46 | 109.7° | 109.5° |
C36 | C35 | H47 | 109.7° | 109.5° |
C35 | C43 | C42 | 108.3° | 109.5° |
C43 | C35 | H46 | 109.7° | 109.5° |
C43 | C35 | H47 | 109.7° | 109.4° |
C35 | C43 | H48 | 109.7° | 109.5° |
C35 | C43 | H49 | 109.8° | 109.4° |
C42 | C43 | H48 | 109.8° | 109.5° |
C42 | C43 | H49 | 109.8° | 109.5° |
C43 | C42 | H50 | 109.8° | 109.5° |
C43 | C42 | H51 | 109.8° | 109.4° |
C19 | C18 | C17 | 108.9° | 109.5° |
C18 | C19 | H78 | 109.5° | 109.5° |
C18 | C19 | H79 | 109.5° | 109.5° |
C19 | C18 | H80 | 109.6° | 109.5° |
C19 | C18 | H81 | 109.6° | 109.5° |
C18 | C17 | C16 | 108.0° | 109.5° |
C17 | C18 | H80 | 109.6° | 109.5° |
C17 | C18 | H81 | 109.6° | 109.5° |
C18 | C17 | H82 | 109.8° | 109.5° |
C18 | C17 | H83 | 109.8° | 109.5° |
C17 | C16 | C15 | 110.7° | 109.5° |
C16 | C17 | H82 | 109.8° | 109.4° |
C16 | C17 | H83 | 109.8° | 109.4° |
C17 | C16 | H84 | 109.2° | 109.4° |
C17 | C16 | H85 | 109.2° | 109.5° |
C16 | C15 | C14 | 111.4° | 109.5° |
C15 | C16 | H84 | 109.1° | 109.5° |
C15 | C16 | H85 | 109.1° | 109.5° |
C16 | C15 | H86 | 109.0° | 109.4° |
C16 | C15 | H87 | 109.0° | 109.5° |
C15 | C14 | C13 | 118.1° | 109.5° |
C14 | C15 | H86 | 109.0° | 109.5° |
C14 | C15 | H87 | 109.0° | 109.5° |
C15 | C14 | H88 | 107.3° | 109.4° |
C15 | C14 | H89 | 107.3° | 109.5° |
C11 | C12 | C13 | 119.4° | 120.0° |
C12 | C11 | C10 | 121.6° | 120.0° |
C11 | C12 | H90 | 120.3° | 120.0° |
C12 | C11 | H91 | 119.2° | 120.0° |
C12 | C13 | C14 | 118.3° | 120.0° |
C12 | C13 | C8 | 120.5° | 120.0° |
C13 | C12 | H90 | 120.3° | 120.0° |
C14 | C13 | C8 | 121.2° | 120.0° |
C13 | C14 | H88 | 107.2° | 109.5° |
C13 | C14 | H89 | 107.3° | 109.5° |
C11 | C10 | C9 | 118.9° | 120.0° |
C10 | C11 | H91 | 119.2° | 120.0° |
C11 | C10 | H92 | 120.5° | 120.0° |
C13 | C8 | C9 | 119.5° | 120.0° |
C13 | C8 | H94 | 120.2° | 120.0° |
C10 | C9 | C8 | 120.2° | 120.0° |
C9 | C10 | H92 | 120.6° | 120.0° |
C10 | C9 | H93 | 119.9° | 120.0° |
C8 | C9 | H93 | 119.9° | 120.0° |
C9 | C8 | H94 | 120.2° | 120.1° |
H1 | C1 | H2 | 109.5° | 109.5° |
H3 | C2 | H4 | 109.5° | 109.5° |
H5 | C3 | H6 | 109.5° | 109.5° |
H7 | C4 | H8 | 109.5° | 109.4° |
H9 | C5 | H10 | 109.5° | 109.5° |
H11 | C6 | H12 | 109.5° | 109.5° |
H13 | C7 | H14 | 109.5° | 109.5° |
H19 | C52 | H20 | 109.5° | 109.5° |
H19 | C52 | H21 | 109.5° | 109.4° |
H20 | C52 | H21 | 109.5° | 109.4° |
H22 | C51 | H23 | 109.5° | 109.5° |
H24 | C50 | H25 | 109.4° | 109.4° |
H26 | C49 | H27 | 109.5° | 109.5° |
H28 | C48 | H29 | 109.4° | 109.5° |
H30 | C47 | H31 | 109.5° | 109.5° |
H32 | C46 | H33 | 109.5° | 109.5° |
H34 | C45 | H35 | 109.5° | 109.5° |
H36 | C44 | H37 | 109.5° | 109.5° |
H38 | C39 | H39 | 109.5° | 109.5° |
H40 | C38 | H41 | 109.5° | 109.5° |
H42 | C37 | H43 | 109.5° | 109.5° |
H44 | C36 | H45 | 109.5° | 109.4° |
H46 | C35 | H47 | 109.5° | 109.4° |
H48 | C43 | H49 | 109.5° | 109.4° |
H50 | C42 | H51 | 109.5° | 109.5° |
H52 | C41 | H53 | 109.5° | 109.4° |
H54 | C40 | H55 | 109.5° | 109.5° |
H58 | C28 | H59 | 109.5° | 109.5° |
H62 | C29 | H63 | 109.5° | 109.4° |
H71 | C24 | H72 | 109.5° | 109.5° |
H73 | C23 | H74 | 109.5° | 109.5° |
H75 | C22 | H76 | 109.5° | 109.5° |
H78 | C19 | H79 | 109.5° | 109.5° |
H80 | C18 | H81 | 109.4° | 109.5° |
H82 | C17 | H83 | 109.4° | 109.5° |
H84 | C16 | H85 | 109.5° | 109.5° |
H86 | C15 | H87 | 109.4° | 109.5° |
H88 | C14 | H89 | 109.5° | 109.4° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O7 | C34 | C33 | O6 | 64.0° | 56.9° |
O7 | C34 | C33 | C30 | 119.2° | 119.9° |
O7 | C34 | C33 | H65 | 122.2° | 120.1° |
O7 | C34 | C30 | H65 | 121.5° | 120.1° |
O7 | C34 | C30 | C29 | 63.1° | 57.7° |
O7 | C34 | C33 | C32 | 59.6° | 62.9° |
O7 | C34 | C30 | O9 | 60.1° | 62.2° |
O7 | C34 | C30 | H61 | 179.2° | 177.7° |
O7 | C34 | C33 | H66 | 177.3° | 177.1° |
O6 | C33 | C34 | C32 | 123.6° | 119.8° |
O6 | C33 | C34 | H66 | 118.6° | 120.2° |
O6 | C33 | C34 | C30 | 176.8° | 176.8° |
O6 | C33 | C32 | H66 | 120.1° | 120.2° |
O6 | C33 | C32 | O5 | 64.2° | 63.3° |
O6 | C33 | C32 | C31 | 176.7° | 176.9° |
O6 | C33 | C34 | H65 | 58.1° | 63.2° |
O6 | C33 | C32 | H67 | 56.8° | 56.9° |
C33 | C34 | C30 | H65 | 118.6° | 120.0° |
C33 | C34 | C30 | C29 | 177.0° | 177.6° |
C34 | C33 | C32 | H66 | 118.0° | 119.9° |
C33 | C34 | C30 | O9 | 59.7° | 57.6° |
C34 | C33 | C32 | O5 | 173.9° | 176.8° |
C34 | C33 | C32 | C31 | 54.8° | 57.0° |
C34 | C33 | O6 | H17 | 180.0° | 179.9° |
C33 | C34 | O7 | H18 | 180.0° | 60.0° |
C33 | C34 | C30 | H61 | 59.4° | 62.4° |
C34 | C33 | C32 | H67 | 65.1° | 63.0° |
C34 | C30 | C29 | O8 | 127.0° | 175.0° |
C34 | C30 | C29 | O9 | 121.2° | 119.9° |
C34 | C30 | C29 | H61 | 117.9° | 120.0° |
C30 | C34 | C33 | C32 | 59.6° | 57.0° |
C34 | C30 | O9 | H61 | 118.6° | 120.0° |
C34 | C30 | O9 | C31 | 60.1° | 61.2° |
C30 | C34 | O7 | H18 | 62.1° | 179.7° |
C34 | C30 | C29 | H62 | 6.9° | 55.0° |
C34 | C30 | C29 | H63 | 112.9° | 64.9° |
C30 | C34 | C33 | H66 | 58.1° | 63.0° |
O8 | C29 | C30 | H62 | 120.1° | 120.0° |
O8 | C29 | C30 | H63 | 120.1° | 120.1° |
O8 | C29 | C30 | O9 | 5.8° | 65.1° |
O8 | C29 | C30 | H61 | 115.2° | 55.0° |
O8 | C29 | H62 | H63 | 119.8° | 120.1° |
C29 | C30 | O9 | H61 | 120.3° | 120.0° |
C29 | C30 | O9 | C31 | 178.8° | 178.8° |
C30 | C29 | H62 | H63 | 119.8° | 120.0° |
C30 | C29 | O8 | H64 | 180.0° | 180.0° |
C29 | C30 | C34 | H65 | 58.4° | 62.5° |
C33 | C32 | O5 | C31 | 120.5° | 119.6° |
C33 | C32 | O5 | H67 | 120.0° | 120.1° |
C33 | C32 | C31 | H67 | 119.7° | 119.9° |
C33 | C32 | C31 | O9 | 48.7° | 57.6° |
C33 | C32 | C31 | O4 | 74.5° | 62.4° |
C33 | C32 | O5 | H16 | 180.0° | 180.0° |
C32 | C33 | O6 | H17 | 56.8° | 60.5° |
C33 | C32 | C31 | H60 | 167.3° | 177.6° |
C32 | C33 | C34 | H65 | 178.3° | 177.0° |
C30 | O9 | C31 | C32 | 53.8° | 61.2° |
C30 | O9 | C31 | O4 | 67.4° | 58.8° |
C30 | O9 | C31 | H60 | 171.8° | 178.8° |
O9 | C30 | C29 | H62 | 114.2° | 175.0° |
O9 | C30 | C29 | H63 | 125.9° | 55.0° |
O9 | C30 | C34 | H65 | 178.3° | 177.6° |
O5 | C32 | C31 | H67 | 120.5° | 120.2° |
O5 | C32 | C31 | O9 | 168.5° | 177.5° |
O5 | C32 | C31 | O4 | 45.3° | 57.5° |
O5 | C32 | C31 | H60 | 72.9° | 62.6° |
O5 | C32 | C33 | H66 | 55.9° | 56.9° |
C32 | C31 | O9 | O4 | 121.2° | 120.0° |
C32 | C31 | O9 | H60 | 117.9° | 120.0° |
C32 | C31 | O4 | H60 | 117.4° | 120.0° |
C32 | C31 | O4 | C28 | 175.8° | 170.0° |
C31 | C32 | O5 | H16 | 59.5° | 60.4° |
C31 | C32 | C33 | H66 | 63.2° | 62.9° |
O9 | C31 | O4 | H60 | 120.8° | 120.0° |
O9 | C31 | O4 | C28 | 54.0° | 70.1° |
C31 | O9 | C30 | H61 | 58.5° | 58.8° |
O9 | C31 | C32 | H67 | 71.0° | 62.3° |
C31 | O4 | C28 | C27 | 166.1° | 180.0° |
C31 | O4 | C28 | H58 | 46.0° | 60.0° |
C31 | O4 | C28 | H59 | 73.7° | 60.0° |
O4 | C31 | C32 | H67 | 165.8° | 177.7° |
O4 | C28 | C27 | H58 | 120.1° | 119.9° |
O4 | C28 | C27 | H59 | 120.1° | 120.0° |
O4 | C28 | C27 | N2 | 69.0° | 64.4° |
O4 | C28 | C27 | C26 | 54.2° | 55.6° |
O4 | C28 | C27 | H57 | 172.0° | 175.6° |
O4 | C28 | H58 | H59 | 119.5° | 120.0° |
C28 | O4 | C31 | H60 | 66.8° | 50.0° |
C20 | C1 | C2 | H1 | 120.5° | 120.0° |
C20 | C1 | C2 | H2 | 120.5° | 120.0° |
C1 | C20 | N2 | O | 176.3° | 180.0° |
C20 | C1 | C2 | C3 | 79.0° | 180.0° |
C1 | C20 | N2 | C27 | 179.5° | 180.0° |
C20 | C1 | H1 | H2 | 118.5° | 120.1° |
C20 | C1 | C2 | H3 | 160.7° | 60.0° |
C20 | C1 | C2 | H4 | 41.2° | 60.0° |
C1 | C20 | N2 | H56 | 0.5° | 0.1° |
C2 | C1 | C20 | N2 | 135.3° | 179.9° |
C2 | C1 | C20 | O | 48.4° | 0.0° |
C1 | C2 | C3 | H3 | 120.3° | 120.1° |
C1 | C2 | C3 | H4 | 120.3° | 119.9° |
C1 | C2 | C3 | C4 | 168.1° | 180.0° |
C2 | C1 | H1 | H2 | 118.6° | 120.0° |
C1 | C2 | H3 | H4 | 119.2° | 120.0° |
C1 | C2 | C3 | H5 | 72.4° | 60.0° |
C1 | C2 | C3 | H6 | 48.6° | 60.1° |
C28 | C27 | N2 | C20 | 81.3° | 85.1° |
C28 | C27 | N2 | C26 | 123.6° | 120.0° |
C28 | C27 | N2 | H57 | 118.6° | 120.0° |
C28 | C27 | C26 | H57 | 117.6° | 120.0° |
C28 | C27 | C26 | O3 | 57.9° | 54.5° |
C28 | C27 | C26 | C25 | 179.1° | 174.5° |
C28 | C27 | N2 | H56 | 98.6° | 95.0° |
C27 | C28 | H58 | H59 | 119.5° | 120.0° |
C28 | C27 | C26 | H68 | 60.7° | 65.5° |
C20 | N2 | C27 | H56 | 180.0° | 179.9° |
C20 | N2 | C27 | C26 | 155.1° | 155.0° |
N2 | C20 | C1 | H1 | 14.8° | 60.0° |
N2 | C20 | C1 | H2 | 104.3° | 60.1° |
C20 | N2 | C27 | H57 | 37.2° | 34.9° |
O | C20 | N2 | C27 | 3.2° | 0.1° |
O | C20 | C1 | H1 | 168.9° | 120.0° |
O | C20 | C1 | H2 | 72.1° | 120.0° |
O | C20 | N2 | H56 | 176.8° | 180.0° |
C2 | C3 | C4 | H5 | 119.5° | 120.0° |
C2 | C3 | C4 | H6 | 119.5° | 120.0° |
C2 | C3 | C4 | C5 | 161.5° | 180.0° |
C3 | C2 | C1 | H1 | 41.4° | 60.1° |
C3 | C2 | C1 | H2 | 160.5° | 60.0° |
C3 | C2 | H3 | H4 | 119.2° | 120.0° |
C2 | C3 | H5 | H6 | 121.5° | 120.0° |
C2 | C3 | C4 | H7 | 78.8° | 60.0° |
C2 | C3 | C4 | H8 | 41.7° | 60.0° |
C50 | C49 | C48 | H26 | 119.9° | 120.0° |
C50 | C49 | C48 | H27 | 119.9° | 119.9° |
C50 | C49 | C48 | C47 | 91.0° | 180.0° |
C49 | C50 | C51 | H24 | 120.0° | 120.0° |
C49 | C50 | C51 | H25 | 120.0° | 120.0° |
C49 | C50 | C51 | C52 | 169.0° | NaN° |
C49 | C50 | C51 | H22 | 50.0° | 60.0° |
C49 | C50 | C51 | H23 | 72.1° | 60.1° |
C49 | C50 | H24 | H25 | 119.9° | 120.0° |
C50 | C49 | H26 | H27 | 120.3° | 120.0° |
C50 | C49 | C48 | H28 | 29.2° | 60.0° |
C50 | C49 | C48 | H29 | 148.9° | 60.0° |
C49 | C48 | C47 | H28 | 120.2° | 120.0° |
C49 | C48 | C47 | H29 | 120.2° | 119.9° |
C49 | C48 | C47 | C46 | 168.5° | 180.0° |
C48 | C49 | C50 | C51 | 84.2° | 180.0° |
C48 | C49 | C50 | H24 | 35.8° | 60.0° |
C48 | C49 | C50 | H25 | 155.7° | 60.0° |
C48 | C49 | H26 | H27 | 120.3° | 120.0° |
C49 | C48 | H28 | H29 | 119.5° | 120.0° |
C49 | C48 | C47 | H30 | 72.5° | 60.0° |
C49 | C48 | C47 | H31 | 49.5° | 60.1° |
N2 | C27 | C26 | H57 | 118.2° | 120.1° |
N2 | C27 | C26 | O3 | 177.9° | 174.4° |
N2 | C27 | C26 | C25 | 56.7° | 65.6° |
N2 | C27 | C28 | H58 | 51.1° | 55.6° |
N2 | C27 | C28 | H59 | 170.9° | 175.6° |
N2 | C27 | C26 | H68 | 63.5° | 54.4° |
C48 | C47 | C46 | H30 | 119.0° | 120.0° |
C48 | C47 | C46 | H31 | 119.0° | 119.9° |
C48 | C47 | C46 | C45 | 166.6° | 180.0° |
C47 | C48 | C49 | H26 | 149.1° | 60.0° |
C47 | C48 | C49 | H27 | 28.9° | 60.1° |
C47 | C48 | H28 | H29 | 119.5° | 120.0° |
C48 | C47 | H30 | H31 | 122.8° | 120.0° |
C48 | C47 | C46 | H32 | 46.7° | 60.0° |
C48 | C47 | C46 | H33 | 73.4° | 60.1° |
C47 | C46 | C45 | H32 | 119.9° | 120.0° |
C47 | C46 | C45 | H33 | 119.9° | 120.0° |
C47 | C46 | C45 | C44 | 144.4° | 180.0° |
C46 | C47 | C48 | H28 | 48.3° | 60.0° |
C46 | C47 | C48 | H29 | 71.4° | 60.1° |
C46 | C47 | H30 | H31 | 122.8° | 120.0° |
C47 | C46 | H32 | H33 | 120.2° | 120.0° |
C47 | C46 | C45 | H34 | 95.1° | 60.0° |
C47 | C46 | C45 | H35 | 24.0° | 60.0° |
C50 | C51 | C52 | H22 | 119.0° | 120.0° |
C50 | C51 | C52 | H23 | 119.0° | 119.9° |
C50 | C51 | C52 | H19 | 180.0° | 60.0° |
C50 | C51 | C52 | H20 | 60.0° | 180.0° |
C50 | C51 | C52 | H21 | 60.0° | 60.0° |
C50 | C51 | H22 | H23 | 122.9° | 120.0° |
C51 | C50 | H24 | H25 | 119.9° | 120.0° |
C51 | C50 | C49 | H26 | 35.7° | 60.0° |
C51 | C50 | C49 | H27 | 155.9° | 60.1° |
C27 | C26 | O3 | C25 | 124.4° | 120.0° |
C27 | C26 | O3 | H68 | 117.6° | 120.0° |
C27 | C26 | C25 | H68 | 120.3° | 120.0° |
C27 | C26 | C25 | O2 | 163.3° | 60.0° |
C27 | C26 | C25 | C24 | 44.7° | 179.9° |
C27 | C26 | O3 | H15 | 180.0° | 65.0° |
C26 | C27 | N2 | H56 | 24.9° | 24.9° |
C26 | C27 | C28 | H58 | 174.4° | 175.5° |
C26 | C27 | C28 | H59 | 65.9° | 64.5° |
C27 | C26 | C25 | H69 | 77.9° | 60.0° |
C3 | C4 | C5 | H7 | 119.8° | 120.0° |
C3 | C4 | C5 | H8 | 119.7° | 120.0° |
C3 | C4 | C5 | C6 | 151.9° | 180.0° |
C4 | C3 | C2 | H3 | 47.8° | 60.0° |
C4 | C3 | C2 | H4 | 71.6° | 60.0° |
C4 | C3 | H5 | H6 | 121.4° | 120.0° |
C3 | C4 | H7 | H8 | 120.8° | 120.0° |
C3 | C4 | C5 | H9 | 87.7° | 60.1° |
C3 | C4 | C5 | H10 | 31.5° | 60.0° |
O3 | C26 | C25 | H68 | 119.0° | 120.0° |
O3 | C26 | C25 | O2 | 42.7° | 180.0° |
O3 | C26 | C25 | C24 | 75.9° | 60.0° |
O3 | C26 | C27 | H57 | 59.8° | 65.5° |
O3 | C26 | C25 | H69 | 161.4° | 60.0° |
C26 | C25 | O2 | C24 | 122.1° | 120.0° |
C26 | C25 | O2 | H69 | 117.6° | 120.0° |
C26 | C25 | C24 | H69 | 122.4° | 120.0° |
C26 | C25 | C24 | C23 | 162.4° | 175.0° |
C25 | C26 | O3 | H15 | 55.6° | 55.0° |
C25 | C26 | C27 | H57 | 61.5° | 54.5° |
C26 | C25 | O2 | H70 | 180.0° | 60.0° |
C26 | C25 | C24 | H71 | 77.5° | 55.0° |
C26 | C25 | C24 | H72 | 42.3° | 65.0° |
C46 | C45 | C44 | H34 | 120.5° | 119.9° |
C46 | C45 | C44 | H35 | 120.5° | 120.0° |
C46 | C45 | C44 | C39 | 62.9° | NaN° |
C45 | C46 | C47 | H30 | 74.3° | 60.0° |
C45 | C46 | C47 | H31 | 47.6° | 60.0° |
C45 | C46 | H32 | H33 | 120.1° | 120.0° |
C46 | C45 | H34 | H35 | 118.5° | 120.0° |
C46 | C45 | C44 | H36 | 56.6° | 60.1° |
C46 | C45 | C44 | H37 | 177.5° | 60.0° |
C45 | C44 | C39 | H36 | 119.5° | 120.0° |
C45 | C44 | C39 | H37 | 119.5° | 120.0° |
C45 | C44 | C39 | C38 | 161.0° | 180.0° |
C44 | C45 | C46 | H32 | 24.5° | 60.0° |
C44 | C45 | C46 | H33 | 95.6° | 60.0° |
C44 | C45 | H34 | H35 | 118.6° | 120.1° |
C45 | C44 | H36 | H37 | 121.4° | 120.1° |
C45 | C44 | C39 | H38 | 40.7° | 60.0° |
C45 | C44 | C39 | H39 | 78.6° | 60.0° |
C4 | C5 | C6 | H9 | 120.4° | 120.0° |
C4 | C5 | C6 | H10 | 120.4° | 120.0° |
C4 | C5 | C6 | C7 | 81.2° | NaN° |
C5 | C4 | C3 | H5 | 42.0° | 60.1° |
C5 | C4 | C3 | H6 | 79.0° | 60.0° |
C5 | C4 | H7 | H8 | 120.8° | 120.0° |
C4 | C5 | H9 | H10 | 118.9° | 120.0° |
C4 | C5 | C6 | H11 | 158.5° | 60.0° |
C4 | C5 | C6 | H12 | 39.2° | 60.0° |
C51 | C52 | H19 | H20 | 120.0° | 120.0° |
C51 | C52 | H19 | H21 | 120.0° | 120.0° |
C51 | C52 | H20 | H21 | 120.0° | 120.0° |
C52 | C51 | H22 | H23 | 123.0° | 120.0° |
C52 | C51 | C50 | H24 | 71.0° | 60.0° |
C52 | C51 | C50 | H25 | 48.9° | 60.0° |
O2 | C25 | C24 | H69 | 121.1° | 120.0° |
O2 | C25 | C24 | C23 | 46.0° | 65.0° |
O2 | C25 | C26 | H68 | 76.4° | 60.0° |
O2 | C25 | C24 | H71 | 166.0° | 175.0° |
O2 | C25 | C24 | H72 | 74.1° | 55.0° |
C25 | C24 | C23 | H71 | 120.1° | 120.1° |
C25 | C24 | C23 | H72 | 120.1° | 120.0° |
C25 | C24 | C23 | C22 | 72.5° | 179.9° |
C24 | C25 | C26 | H68 | 165.0° | 60.0° |
C24 | C25 | O2 | H70 | 57.9° | 60.0° |
C25 | C24 | H71 | H72 | 119.8° | 120.0° |
C25 | C24 | C23 | H73 | 167.5° | 59.9° |
C25 | C24 | C23 | H74 | 47.5° | 60.0° |
C44 | C39 | C38 | H38 | 120.4° | 119.9° |
C44 | C39 | C38 | H39 | 120.4° | 120.1° |
C44 | C39 | C38 | C37 | 161.4° | 180.0° |
C39 | C44 | C45 | H34 | 176.6° | 60.1° |
C39 | C44 | C45 | H35 | 57.5° | 60.0° |
C39 | C44 | H36 | H37 | 121.4° | 120.0° |
C44 | C39 | H38 | H39 | 118.9° | 120.1° |
C44 | C39 | C38 | H40 | 80.4° | 60.1° |
C44 | C39 | C38 | H41 | 43.1° | 59.9° |
C5 | C6 | C7 | H11 | 120.3° | 119.9° |
C5 | C6 | C7 | H12 | 120.3° | 120.0° |
C5 | C6 | C7 | C40 | 97.9° | 180.0° |
C6 | C5 | C4 | H7 | 32.1° | 60.0° |
C6 | C5 | C4 | H8 | 88.4° | 60.0° |
C6 | C5 | H9 | H10 | 118.9° | 120.0° |
C5 | C6 | H11 | H12 | 119.0° | 120.0° |
C5 | C6 | C7 | H13 | 142.1° | 60.0° |
C5 | C6 | C7 | H14 | 22.0° | 60.0° |
C24 | C23 | C22 | H73 | 120.0° | 120.0° |
C24 | C23 | C22 | H74 | 120.0° | 120.0° |
C24 | C23 | C22 | C21 | 151.6° | 180.0° |
C23 | C24 | C25 | H69 | 75.2° | 55.0° |
C23 | C24 | H71 | H72 | 119.8° | 120.0° |
C24 | C23 | H73 | H74 | 119.9° | 120.0° |
C24 | C23 | C22 | H75 | 88.6° | 60.1° |
C24 | C23 | C22 | H76 | 31.7° | 60.0° |
C6 | C7 | C40 | H13 | 120.0° | 119.9° |
C6 | C7 | C40 | H14 | 120.0° | 120.0° |
C6 | C7 | C40 | C41 | 174.5° | 180.0° |
C7 | C6 | C5 | H9 | 39.2° | 60.0° |
C7 | C6 | C5 | H10 | 158.4° | 60.0° |
C7 | C6 | H11 | H12 | 119.0° | 120.1° |
C6 | C7 | H13 | H14 | 120.1° | 119.9° |
C6 | C7 | C40 | H54 | 66.1° | 60.1° |
C6 | C7 | C40 | H55 | 55.0° | 60.0° |
C39 | C38 | C37 | H40 | 118.2° | 119.9° |
C39 | C38 | C37 | H41 | 118.2° | 120.1° |
C39 | C38 | C37 | C36 | 155.4° | 180.0° |
C38 | C39 | C44 | H36 | 79.5° | 60.1° |
C38 | C39 | C44 | H37 | 41.5° | 60.0° |
C38 | C39 | H38 | H39 | 118.8° | 120.0° |
C39 | C38 | H40 | H41 | 125.0° | 120.0° |
C39 | C38 | C37 | H42 | 84.2° | 60.1° |
C39 | C38 | C37 | H43 | 35.0° | 59.9° |
C7 | C40 | C41 | H54 | 119.4° | 119.9° |
C7 | C40 | C41 | H55 | 119.4° | 120.0° |
C7 | C40 | C41 | C42 | 159.0° | 180.0° |
C40 | C7 | C6 | H11 | 22.4° | 60.1° |
C40 | C7 | C6 | H12 | 141.7° | 60.0° |
C40 | C7 | H13 | H14 | 120.1° | 120.1° |
C7 | C40 | C41 | H52 | 81.1° | 60.0° |
C7 | C40 | C41 | H53 | 39.2° | 60.0° |
C7 | C40 | H54 | H55 | 121.6° | 120.0° |
C23 | C22 | C21 | H75 | 119.9° | 120.0° |
C23 | C22 | C21 | H76 | 119.9° | 120.0° |
C23 | C22 | C21 | O1 | 76.6° | 0.1° |
C23 | C22 | C21 | N1 | 105.1° | 180.0° |
C22 | C23 | C24 | H71 | 47.6° | 60.0° |
C22 | C23 | C24 | H72 | 167.4° | 60.0° |
C22 | C23 | H73 | H74 | 120.0° | 120.0° |
C23 | C22 | H75 | H76 | 120.4° | 120.1° |
C22 | C21 | O1 | N1 | 178.2° | 180.0° |
C22 | C21 | N1 | C19 | 178.4° | 180.0° |
C21 | C22 | C23 | H73 | 31.5° | 60.0° |
C21 | C22 | C23 | H74 | 88.4° | 60.0° |
C21 | C22 | H75 | H76 | 120.4° | 120.0° |
C22 | C21 | N1 | H77 | 1.7° | 0.0° |
C38 | C37 | C36 | H42 | 120.4° | 120.0° |
C38 | C37 | C36 | H43 | 120.4° | 120.0° |
C38 | C37 | C36 | C35 | 176.1° | 180.0° |
C37 | C38 | C39 | H38 | 41.0° | 60.1° |
C37 | C38 | C39 | H39 | 78.2° | 59.9° |
C37 | C38 | H40 | H41 | 125.1° | 120.0° |
C38 | C37 | H42 | H43 | 118.8° | 120.0° |
C38 | C37 | C36 | H44 | 57.0° | 60.0° |
C38 | C37 | C36 | H45 | 64.8° | 60.0° |
C37 | C36 | C35 | H44 | 119.1° | 120.0° |
C37 | C36 | C35 | H45 | 119.1° | 120.0° |
C37 | C36 | C35 | C43 | 94.8° | 180.0° |
C36 | C37 | C38 | H40 | 37.2° | 60.0° |
C36 | C37 | C38 | H41 | 86.4° | 60.0° |
C36 | C37 | H42 | H43 | 118.8° | 120.0° |
C37 | C36 | H44 | H45 | 122.6° | 120.0° |
C37 | C36 | C35 | H46 | 145.4° | 60.0° |
C37 | C36 | C35 | H47 | 25.1° | 60.0° |
C40 | C41 | C42 | H52 | 119.9° | 120.0° |
C40 | C41 | C42 | H53 | 119.9° | 120.0° |
C40 | C41 | C42 | C43 | 177.1° | 180.0° |
C41 | C40 | C7 | H13 | 54.5° | 60.1° |
C41 | C40 | C7 | H14 | 65.6° | 60.0° |
C40 | C41 | C42 | H50 | 57.3° | 60.0° |
C40 | C41 | C42 | H51 | 63.1° | 60.1° |
C40 | C41 | H52 | H53 | 120.4° | 120.0° |
C41 | C40 | H54 | H55 | 121.6° | 120.0° |
C41 | C42 | C43 | C35 | 91.0° | 180.0° |
C41 | C42 | C43 | H50 | 119.8° | 120.0° |
C41 | C42 | C43 | H51 | 119.8° | 120.0° |
C41 | C42 | C43 | H48 | 28.8° | 60.0° |
C41 | C42 | C43 | H49 | 149.2° | 60.0° |
C41 | C42 | H50 | H51 | 120.5° | 120.0° |
C42 | C41 | H52 | H53 | 120.3° | 120.0° |
C42 | C41 | C40 | H54 | 39.6° | 60.1° |
C42 | C41 | C40 | H55 | 81.5° | 60.0° |
O1 | C21 | N1 | C19 | 0.0° | 0.0° |
O1 | C21 | C22 | H75 | 163.5° | 120.0° |
O1 | C21 | C22 | H76 | 43.3° | 120.0° |
O1 | C21 | N1 | H77 | 180.0° | 180.0° |
C21 | N1 | C19 | H77 | 180.0° | 180.0° |
C21 | N1 | C19 | C18 | 178.8° | 180.0° |
N1 | C21 | C22 | H75 | 14.8° | 60.0° |
N1 | C21 | C22 | H76 | 135.0° | 60.0° |
C21 | N1 | C19 | H78 | 58.8° | 60.0° |
C21 | N1 | C19 | H79 | 61.3° | 60.0° |
N1 | C19 | C18 | H78 | 120.0° | 120.0° |
N1 | C19 | C18 | H79 | 120.0° | 120.0° |
N1 | C19 | C18 | C17 | 81.2° | 180.0° |
N1 | C19 | H78 | H79 | 120.1° | 120.0° |
N1 | C19 | C18 | H80 | 38.7° | 60.0° |
N1 | C19 | C18 | H81 | 158.9° | 60.0° |
C36 | C35 | C43 | H46 | 119.8° | 120.0° |
C36 | C35 | C43 | H47 | 119.8° | 120.0° |
C36 | C35 | C43 | C42 | 175.9° | 180.0° |
C35 | C36 | C37 | H42 | 63.5° | 60.0° |
C35 | C36 | C37 | H43 | 55.7° | 60.0° |
C35 | C36 | H44 | H45 | 122.7° | 120.0° |
C36 | C35 | H46 | H47 | 120.4° | 120.0° |
C36 | C35 | C43 | H48 | 56.1° | 60.0° |
C36 | C35 | C43 | H49 | 64.3° | 60.0° |
C35 | C43 | C42 | H48 | 119.8° | 120.0° |
C35 | C43 | C42 | H49 | 119.8° | 120.0° |
C43 | C35 | C36 | H44 | 24.3° | 60.0° |
C43 | C35 | C36 | H45 | 146.1° | 60.0° |
C43 | C35 | H46 | H47 | 120.5° | 119.9° |
C35 | C43 | H48 | H49 | 120.5° | 119.9° |
C35 | C43 | C42 | H50 | 28.8° | 60.0° |
C35 | C43 | C42 | H51 | 149.2° | 60.0° |
C42 | C43 | C35 | H46 | 64.2° | 60.0° |
C42 | C43 | C35 | H47 | 56.1° | 60.0° |
C42 | C43 | H48 | H49 | 120.6° | 120.0° |
C43 | C42 | H50 | H51 | 120.5° | 120.0° |
C43 | C42 | C41 | H52 | 63.0° | 60.0° |
C43 | C42 | C41 | H53 | 57.2° | 60.0° |
C19 | C18 | C17 | H80 | 119.9° | 120.0° |
C19 | C18 | C17 | H81 | 119.9° | 120.0° |
C19 | C18 | C17 | C16 | 90.6° | 180.0° |
C18 | C19 | N1 | H77 | 1.3° | 0.1° |
C18 | C19 | H78 | H79 | 120.1° | 120.0° |
C19 | C18 | H80 | H81 | 120.3° | 120.0° |
C19 | C18 | C17 | H82 | 29.2° | 60.0° |
C19 | C18 | C17 | H83 | 149.6° | 60.1° |
C18 | C17 | C16 | H82 | 119.8° | 120.0° |
C18 | C17 | C16 | H83 | 119.8° | 120.0° |
C18 | C17 | C16 | C15 | 77.6° | 180.0° |
C17 | C18 | C19 | H78 | 158.8° | 60.0° |
C17 | C18 | C19 | H79 | 38.8° | 60.0° |
C17 | C18 | H80 | H81 | 120.3° | 120.0° |
C18 | C17 | H82 | H83 | 120.7° | 120.1° |
C18 | C17 | C16 | H84 | 42.6° | 60.0° |
C18 | C17 | C16 | H85 | 162.2° | 60.0° |
C17 | C16 | C15 | H84 | 120.2° | 120.0° |
C17 | C16 | C15 | H85 | 120.2° | 120.0° |
C17 | C16 | C15 | C14 | 150.8° | 180.0° |
C16 | C17 | C18 | H80 | 149.5° | 60.0° |
C16 | C17 | C18 | H81 | 29.3° | 60.0° |
C16 | C17 | H82 | H83 | 120.7° | 120.0° |
C17 | C16 | H84 | H85 | 119.5° | 120.0° |
C17 | C16 | C15 | H86 | 30.4° | 60.0° |
C17 | C16 | C15 | H87 | 88.9° | 60.0° |
C16 | C15 | C14 | H86 | 120.3° | 120.0° |
C16 | C15 | C14 | H87 | 120.3° | 120.0° |
C16 | C15 | C14 | C13 | 53.5° | 180.0° |
C15 | C16 | C17 | H82 | 162.6° | 60.0° |
C15 | C16 | C17 | H83 | 42.2° | 60.0° |
C15 | C16 | H84 | H85 | 119.4° | 120.0° |
C16 | C15 | H86 | H87 | 119.1° | 120.0° |
C16 | C15 | C14 | H88 | 174.7° | 60.0° |
C16 | C15 | C14 | H89 | 67.8° | 59.9° |
C15 | C14 | C13 | C12 | 31.1° | 89.8° |
C15 | C14 | C13 | H88 | 121.2° | 119.9° |
C15 | C14 | C13 | H89 | 121.2° | 120.0° |
C15 | C14 | C13 | C8 | 147.3° | 90.0° |
C14 | C15 | C16 | H84 | 89.0° | 60.0° |
C14 | C15 | C16 | H85 | 30.6° | 60.0° |
C14 | C15 | H86 | H87 | 119.1° | 120.0° |
C15 | C14 | H88 | H89 | 116.1° | 120.0° |
C11 | C12 | C13 | H90 | 180.0° | 179.9° |
C11 | C12 | C13 | C14 | 178.8° | 180.0° |
C12 | C11 | C10 | H91 | 180.0° | 180.0° |
C11 | C12 | C13 | C8 | 0.5° | 0.3° |
C12 | C11 | C10 | C9 | 0.4° | 0.0° |
C12 | C11 | C10 | H92 | 179.6° | 179.9° |
C12 | C13 | C14 | C8 | 178.4° | 179.8° |
C13 | C12 | C11 | C10 | 0.1° | 0.0° |
C12 | C13 | C8 | C9 | 0.8° | 0.4° |
C12 | C13 | C14 | H88 | 90.2° | 150.3° |
C12 | C13 | C14 | H89 | 152.3° | 30.3° |
C13 | C12 | C11 | H91 | 179.9° | 179.9° |
C12 | C13 | C8 | H94 | 179.2° | 179.7° |
C14 | C13 | C8 | C9 | 179.1° | 179.8° |
C13 | C14 | C15 | H86 | 66.8° | 60.0° |
C13 | C14 | C15 | H87 | 173.8° | 60.0° |
C13 | C14 | H88 | H89 | 116.1° | 120.1° |
C14 | C13 | C12 | H90 | 1.2° | 0.0° |
C14 | C13 | C8 | H94 | 0.9° | 0.1° |
C11 | C10 | C9 | H92 | 180.0° | 180.0° |
C11 | C10 | C9 | C8 | 0.0° | 0.2° |
C10 | C11 | C12 | H90 | 179.8° | 180.0° |
C11 | C10 | C9 | H93 | 180.0° | 180.0° |
C13 | C8 | C9 | C10 | 0.5° | 0.4° |
C13 | C8 | C9 | H94 | 180.0° | 179.9° |
C8 | C13 | C14 | H88 | 91.5° | 30.0° |
C8 | C13 | C14 | H89 | 26.0° | 150.0° |
C8 | C13 | C12 | H90 | 179.6° | 179.8° |
C13 | C8 | C9 | H93 | 179.5° | 179.7° |
C10 | C9 | C8 | H93 | 180.0° | 179.8° |
C9 | C10 | C11 | H91 | 179.6° | 180.0° |
C10 | C9 | C8 | H94 | 179.4° | 179.7° |
C8 | C9 | C10 | H92 | 179.9° | 179.9° |
H1 | C1 | C2 | H3 | 78.9° | 60.0° |
H1 | C1 | C2 | H4 | 161.7° | 180.0° |
H2 | C1 | C2 | H3 | 40.2° | 180.0° |
H2 | C1 | C2 | H4 | 79.2° | 60.0° |
H3 | C2 | C3 | H5 | 167.3° | 180.0° |
H3 | C2 | C3 | H6 | 71.6° | 60.0° |
H4 | C2 | C3 | H5 | 47.9° | 60.0° |
H4 | C2 | C3 | H6 | 168.9° | 180.0° |
H5 | C3 | C4 | H7 | 161.7° | 180.0° |
H5 | C3 | C4 | H8 | 77.8° | 60.0° |
H6 | C3 | C4 | H7 | 40.7° | 60.0° |
H6 | C3 | C4 | H8 | 161.3° | 180.0° |
H7 | C4 | C5 | H9 | 152.5° | 180.0° |
H7 | C4 | C5 | H10 | 88.2° | 60.0° |
H8 | C4 | C5 | H9 | 32.0° | 60.0° |
H8 | C4 | C5 | H10 | 151.2° | 180.0° |
H9 | C5 | C6 | H11 | 81.1° | 180.0° |
H9 | C5 | C6 | H12 | 159.5° | 60.0° |
H10 | C5 | C6 | H11 | 38.1° | 60.0° |
H10 | C5 | C6 | H12 | 81.2° | 180.0° |
H11 | C6 | C7 | H13 | 97.6° | 180.0° |
H11 | C6 | C7 | H14 | 142.3° | 60.0° |
H12 | C6 | C7 | H13 | 21.7° | 60.0° |
H12 | C6 | C7 | H14 | 98.3° | 180.0° |
H13 | C7 | C40 | H54 | 174.0° | 180.0° |
H13 | C7 | C40 | H55 | 65.0° | 60.0° |
H14 | C7 | C40 | H54 | 53.9° | 59.9° |
H14 | C7 | C40 | H55 | 175.0° | 179.9° |
H15 | O3 | C26 | H68 | 62.4° | 175.0° |
H16 | O5 | C32 | H67 | 60.1° | 59.9° |
H17 | O6 | C33 | H66 | 62.3° | 59.7° |
H18 | O7 | C34 | H65 | 58.6° | 60.1° |
H19 | C52 | H20 | H21 | 120.0° | 119.9° |
H19 | C52 | C51 | H22 | 61.0° | 180.0° |
H19 | C52 | C51 | H23 | 61.1° | 60.0° |
H20 | C52 | C51 | H22 | 179.0° | 60.0° |
H20 | C52 | C51 | H23 | 59.0° | 60.1° |
H21 | C52 | C51 | H22 | 59.0° | 60.0° |
H21 | C52 | C51 | H23 | 178.9° | 180.0° |
H22 | C51 | C50 | H24 | 170.0° | 180.0° |
H22 | C51 | C50 | H25 | 70.1° | 60.0° |
H23 | C51 | C50 | H24 | 48.0° | 60.0° |
H23 | C51 | C50 | H25 | 167.9° | 179.9° |
H24 | C50 | C49 | H26 | 155.7° | 180.0° |
H24 | C50 | C49 | H27 | 84.1° | 60.0° |
H25 | C50 | C49 | H26 | 84.3° | 60.0° |
H25 | C50 | C49 | H27 | 35.8° | 179.9° |
H26 | C49 | C48 | H28 | 90.7° | 180.0° |
H26 | C49 | C48 | H29 | 28.9° | 60.0° |
H27 | C49 | C48 | H28 | 149.1° | 59.9° |
H27 | C49 | C48 | H29 | 91.3° | 180.0° |
H28 | C48 | C47 | H30 | 167.3° | 180.0° |
H28 | C48 | C47 | H31 | 70.7° | 59.9° |
H29 | C48 | C47 | H30 | 47.7° | 60.0° |
H29 | C48 | C47 | H31 | 169.6° | 180.0° |
H30 | C47 | C46 | H32 | 165.8° | 180.0° |
H30 | C47 | C46 | H33 | 45.6° | 60.0° |
H31 | C47 | C46 | H32 | 72.3° | 59.9° |
H31 | C47 | C46 | H33 | 167.6° | 180.0° |
H32 | C46 | C45 | H34 | 145.0° | 180.0° |
H32 | C46 | C45 | H35 | 96.0° | 60.0° |
H33 | C46 | C45 | H34 | 24.9° | 60.0° |
H33 | C46 | C45 | H35 | 143.9° | 180.0° |
H34 | C45 | C44 | H36 | 63.9° | 180.0° |
H34 | C45 | C44 | H37 | 57.0° | 59.9° |
H35 | C45 | C44 | H36 | 177.0° | 60.0° |
H35 | C45 | C44 | H37 | 62.0° | 180.0° |
H36 | C44 | C39 | H38 | 160.2° | 180.0° |
H36 | C44 | C39 | H39 | 40.9° | 60.0° |
H37 | C44 | C39 | H38 | 78.8° | 60.0° |
H37 | C44 | C39 | H39 | 161.9° | 180.0° |
H38 | C39 | C38 | H40 | 159.2° | 180.0° |
H38 | C39 | C38 | H41 | 77.2° | 60.0° |
H39 | C39 | C38 | H40 | 40.0° | 60.0° |
H39 | C39 | C38 | H41 | 163.5° | 180.0° |
H40 | C38 | C37 | H42 | 157.5° | 180.0° |
H40 | C38 | C37 | H43 | 83.2° | 60.0° |
H41 | C38 | C37 | H42 | 34.0° | 60.0° |
H41 | C38 | C37 | H43 | 153.2° | 180.0° |
H42 | C37 | C36 | H44 | 177.4° | 180.0° |
H42 | C37 | C36 | H45 | 55.6° | 60.0° |
H43 | C37 | C36 | H44 | 63.4° | 60.0° |
H43 | C37 | C36 | H45 | 174.8° | 180.0° |
H44 | C36 | C35 | H46 | 95.5° | 180.0° |
H44 | C36 | C35 | H47 | 144.1° | 60.0° |
H45 | C36 | C35 | H46 | 26.3° | 60.0° |
H45 | C36 | C35 | H47 | 94.0° | 180.0° |
H46 | C35 | C43 | H48 | 175.9° | 180.0° |
H46 | C35 | C43 | H49 | 55.6° | 60.1° |
H47 | C35 | C43 | H48 | 63.7° | 60.1° |
H47 | C35 | C43 | H49 | 175.9° | 180.0° |
H48 | C43 | C42 | H50 | 148.6° | 180.0° |
H48 | C43 | C42 | H51 | 91.0° | 60.0° |
H49 | C43 | C42 | H50 | 91.0° | 60.0° |
H49 | C43 | C42 | H51 | 29.4° | 180.0° |
H50 | C42 | C41 | H52 | 177.2° | 180.0° |
H50 | C42 | C41 | H53 | 62.6° | 60.0° |
H51 | C42 | C41 | H52 | 56.8° | 60.0° |
H51 | C42 | C41 | H53 | 177.0° | 180.0° |
H52 | C41 | C40 | H54 | 159.5° | 60.0° |
H52 | C41 | C40 | H55 | 38.4° | 180.0° |
H53 | C41 | C40 | H54 | 80.3° | 180.0° |
H53 | C41 | C40 | H55 | 158.6° | 60.0° |
H56 | N2 | C27 | H57 | 142.8° | 145.0° |
H57 | C27 | C28 | H58 | 67.9° | 64.5° |
H57 | C27 | C28 | H59 | 51.8° | 55.6° |
H57 | C27 | C26 | H68 | 178.3° | 174.5° |
H60 | C31 | C32 | H67 | 47.6° | 57.7° |
H61 | C30 | C29 | H62 | 124.8° | 65.0° |
H61 | C30 | C29 | H63 | 5.0° | 175.1° |
H61 | C30 | C34 | H65 | 59.2° | 57.6° |
H62 | C29 | O8 | H64 | 59.9° | 60.0° |
H63 | C29 | O8 | H64 | 59.9° | 60.0° |
H65 | C34 | C33 | H66 | 60.5° | 57.1° |
H66 | C33 | C32 | H67 | 177.0° | 177.1° |
H68 | C26 | C25 | H69 | 42.4° | 180.0° |
H69 | C25 | O2 | H70 | 62.5° | 180.0° |
H69 | C25 | C24 | H71 | 44.9° | 65.0° |
H69 | C25 | C24 | H72 | 164.7° | 175.0° |
H71 | C24 | C23 | H73 | 72.4° | 180.0° |
H71 | C24 | C23 | H74 | 167.6° | 60.0° |
H72 | C24 | C23 | H73 | 47.4° | 60.0° |
H72 | C24 | C23 | H74 | 72.5° | 180.0° |
H73 | C23 | C22 | H75 | 151.4° | 180.0° |
H73 | C23 | C22 | H76 | 88.3° | 60.0° |
H74 | C23 | C22 | H75 | 31.4° | 59.9° |
H74 | C23 | C22 | H76 | 151.7° | 180.0° |
H77 | N1 | C19 | H78 | 121.2° | 120.0° |
H77 | N1 | C19 | H79 | 118.7° | 120.0° |
H78 | C19 | C18 | H80 | 81.2° | 180.0° |
H78 | C19 | C18 | H81 | 38.9° | 60.0° |
H79 | C19 | C18 | H80 | 158.7° | 60.0° |
H79 | C19 | C18 | H81 | 81.1° | 180.0° |
H80 | C18 | C17 | H82 | 90.7° | 180.0° |
H80 | C18 | C17 | H83 | 29.7° | 59.9° |
H81 | C18 | C17 | H82 | 149.1° | 60.0° |
H81 | C18 | C17 | H83 | 90.4° | 179.9° |
H82 | C17 | C16 | H84 | 77.2° | 180.0° |
H82 | C17 | C16 | H85 | 42.4° | 60.0° |
H83 | C17 | C16 | H84 | 162.3° | 60.0° |
H83 | C17 | C16 | H85 | 78.0° | 180.0° |
H84 | C16 | C15 | H86 | 150.6° | 180.0° |
H84 | C16 | C15 | H87 | 31.3° | 60.0° |
H85 | C16 | C15 | H86 | 89.7° | 60.0° |
H85 | C16 | C15 | H87 | 150.9° | 180.0° |
H86 | C15 | C14 | H88 | 54.4° | 180.0° |
H86 | C15 | C14 | H89 | 171.9° | 60.1° |
H87 | C15 | C14 | H88 | 65.0° | 60.0° |
H87 | C15 | C14 | H89 | 52.6° | 179.9° |
H90 | C12 | C11 | H91 | 0.2° | 0.0° |
H91 | C11 | C10 | H92 | 0.4° | 0.0° |
H92 | C10 | C9 | H93 | 0.1° | 0.0° |
H93 | C9 | C8 | H94 | 0.6° | 0.1° |