PRD_002339
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C9 | N1 | sing | 1.47Å | 1.47Å | |
C9 | C8 | sing | 1.53Å | 1.49Å | |
C7 | N3 | sing | 1.47Å | 1.46Å | |
C7 | C10 | sing | 1.53Å | 1.49Å | |
N1 | C10 | sing | 1.47Å | 1.47Å | |
N2 | C6 | doub | 1.32Å | 1.33Å | Aromatic |
N2 | C1 | sing | 1.33Å | 1.33Å | Aromatic |
N3 | C8 | sing | 1.47Å | 1.46Å | |
N3 | C1 | sing | 1.38Å | 1.37Å | |
C6 | N4 | sing | 1.32Å | 1.33Å | Aromatic |
C1 | C2 | doub | 1.40Å | 1.42Å | Aromatic |
N4 | C3 | doub | 1.33Å | 1.33Å | Aromatic |
C2 | C3 | sing | 1.41Å | 1.40Å | Aromatic |
C2 | C4 | sing | 1.46Å | 1.41Å | Aromatic |
C3 | N5 | sing | 1.37Å | 1.36Å | Aromatic |
C4 | C5 | doub | 1.34Å | 1.35Å | Aromatic |
N5 | C5 | sing | 1.37Å | 1.37Å | Aromatic |
C4 | H1 | sing | 1.08Å | 1.08Å | |
C5 | H2 | sing | 1.08Å | 1.08Å | |
C6 | H3 | sing | 1.08Å | 1.08Å | |
C7 | H4 | sing | 1.09Å | 1.10Å | |
C7 | H5 | sing | 1.09Å | 1.10Å | |
C8 | H6 | sing | 1.09Å | 1.10Å | |
C8 | H7 | sing | 1.09Å | 1.10Å | |
C9 | H8 | sing | 1.09Å | 1.10Å | |
C9 | H9 | sing | 1.09Å | 1.10Å | |
C10 | H10 | sing | 1.09Å | 1.10Å | |
C10 | H11 | sing | 1.09Å | 1.10Å | |
N5 | H12 | sing | 0.97Å | 1.00Å | |
C11 | C12 | sing | 1.51Å | 1.51Å | |
C11 | O1 | doub | 1.21Å | 1.22Å | |
C12 | C13 | sing | 1.53Å | 1.52Å | |
C12 | H13 | sing | 1.09Å | 1.10Å | |
C12 | H14 | sing | 1.09Å | 1.10Å | |
C13 | C14 | sing | 1.53Å | 1.54Å | |
C13 | H15 | sing | 1.09Å | 1.10Å | |
C13 | H16 | sing | 1.09Å | 1.10Å | |
C14 | C15 | sing | 1.53Å | 1.53Å | |
C14 | H17 | sing | 1.09Å | 1.10Å | |
C14 | H18 | sing | 1.09Å | 1.10Å | |
C15 | C16 | sing | 1.53Å | 1.53Å | |
C15 | H19 | sing | 1.09Å | 1.10Å | |
C15 | H20 | sing | 1.09Å | 1.10Å | |
C16 | C17 | sing | 1.53Å | 1.54Å | |
C16 | H21 | sing | 1.09Å | 1.10Å | |
C16 | H22 | sing | 1.09Å | 1.10Å | |
C17 | C18 | sing | 1.53Å | 1.54Å | |
C17 | H23 | sing | 1.09Å | 1.10Å | |
C17 | H24 | sing | 1.09Å | 1.10Å | |
C18 | C19 | sing | 1.51Å | 1.51Å | |
C18 | H25 | sing | 1.09Å | 1.10Å | |
C18 | H26 | sing | 1.09Å | 1.10Å | |
C19 | O2 | doub | 1.21Å | 1.23Å | |
N6 | C20 | sing | 1.46Å | 1.46Å | |
N6 | H27 | sing | 0.97Å | 1.00Å | |
C20 | C21 | sing | 1.53Å | 1.54Å | |
C20 | C25 | sing | 1.51Å | 1.53Å | |
C20 | H28 | sing | 1.09Å | 1.10Å | |
C21 | C22 | sing | 1.53Å | 1.53Å | |
C21 | H29 | sing | 1.09Å | 1.10Å | |
C21 | H30 | sing | 1.09Å | 1.10Å | |
C22 | C23 | sing | 1.53Å | 1.53Å | |
C22 | H31 | sing | 1.09Å | 1.10Å | |
C22 | H32 | sing | 1.09Å | 1.10Å | |
C23 | N7 | sing | 1.47Å | 1.46Å | |
C23 | H33 | sing | 1.09Å | 1.10Å | |
C23 | H34 | sing | 1.09Å | 1.10Å | |
N7 | C24 | sing | 1.37Å | 1.45Å | |
N7 | H35 | sing | 0.97Å | 1.00Å | |
C24 | N8 | sing | 1.33Å | 1.42Å | |
C24 | N9 | doub | 1.33Å | 1.31Å | |
N8 | H36 | sing | 0.97Å | 1.00Å | |
N8 | H37 | sing | 0.97Å | 1.00Å | |
N9 | H38 | sing | 0.97Å | 1.00Å | |
N9 | H39 | sing | 0.97Å | 1.00Å | |
C25 | O3 | doub | 1.21Å | 1.23Å | |
N10 | C26 | sing | 1.46Å | 1.45Å | |
N10 | H40 | sing | 0.97Å | 1.00Å | |
C26 | C27 | sing | 1.53Å | 1.52Å | |
C26 | C31 | sing | 1.51Å | 1.52Å | |
C26 | H41 | sing | 1.09Å | 1.10Å | |
C27 | C28 | sing | 1.53Å | 1.51Å | |
C27 | H42 | sing | 1.09Å | 1.10Å | |
C27 | H43 | sing | 1.09Å | 1.10Å | |
C28 | C29 | sing | 1.53Å | 1.50Å | |
C28 | H44 | sing | 1.09Å | 1.10Å | |
C28 | H45 | sing | 1.09Å | 1.10Å | |
C29 | N11 | sing | 1.47Å | 1.45Å | |
C29 | H46 | sing | 1.09Å | 1.10Å | |
C29 | H47 | sing | 1.09Å | 1.10Å | |
N11 | C30 | sing | 1.37Å | 1.36Å | |
N11 | H48 | sing | 0.97Å | 1.00Å | |
C30 | N12 | sing | 1.33Å | 1.39Å | |
C30 | N13 | doub | 1.33Å | 1.31Å | |
N12 | H49 | sing | 0.97Å | 1.00Å | |
N12 | H50 | sing | 0.97Å | 1.00Å | |
N13 | H51 | sing | 0.97Å | 1.00Å | |
N13 | H52 | sing | 0.97Å | 1.00Å | |
C31 | O4 | doub | 1.21Å | 1.23Å | |
N14 | C32 | sing | 1.46Å | 1.46Å | |
N14 | H53 | sing | 0.97Å | 1.00Å | |
C32 | C33 | sing | 1.53Å | 1.54Å | |
C32 | C37 | sing | 1.51Å | 1.53Å | |
C32 | H54 | sing | 1.09Å | 1.10Å | |
C33 | C34 | sing | 1.53Å | 1.53Å | |
C33 | H55 | sing | 1.09Å | 1.10Å | |
C33 | H56 | sing | 1.09Å | 1.10Å | |
C34 | C35 | sing | 1.53Å | 1.52Å | |
C34 | H57 | sing | 1.09Å | 1.10Å | |
C34 | H58 | sing | 1.09Å | 1.10Å | |
C35 | N15 | sing | 1.47Å | 1.46Å | |
C35 | H59 | sing | 1.09Å | 1.10Å | |
C35 | H60 | sing | 1.09Å | 1.10Å | |
N15 | C36 | sing | 1.37Å | 1.41Å | |
N15 | H61 | sing | 0.97Å | 1.00Å | |
C36 | N16 | sing | 1.33Å | 1.30Å | |
C36 | N17 | doub | 1.33Å | 1.41Å | |
N16 | H62 | sing | 0.97Å | 1.00Å | |
N16 | H63 | sing | 0.97Å | 1.00Å | |
N17 | H64 | sing | 0.97Å | 1.00Å | |
N17 | H65 | sing | 0.97Å | 1.00Å | |
C37 | O5 | doub | 1.21Å | 1.22Å | |
N18 | C38 | sing | 1.47Å | 1.45Å | |
N18 | H66 | sing | 0.97Å | 1.00Å | |
C38 | C39 | sing | 1.53Å | 1.53Å | |
C38 | C43 | sing | 1.51Å | 1.53Å | |
C38 | H67 | sing | 1.09Å | 1.10Å | |
C39 | C40 | sing | 1.53Å | 1.53Å | |
C39 | H68 | sing | 1.09Å | 1.10Å | |
C39 | H69 | sing | 1.09Å | 1.10Å | |
C40 | C41 | sing | 1.53Å | 1.52Å | |
C40 | H70 | sing | 1.09Å | 1.10Å | |
C40 | H71 | sing | 1.09Å | 1.10Å | |
C41 | N19 | sing | 1.46Å | 1.46Å | |
C41 | H72 | sing | 1.09Å | 1.10Å | |
C41 | H73 | sing | 1.09Å | 1.10Å | |
N19 | C42 | sing | 1.37Å | 1.43Å | |
N19 | H74 | sing | 0.97Å | 1.00Å | |
C42 | N20 | sing | 1.33Å | 1.31Å | |
C42 | N21 | doub | 1.33Å | 1.41Å | |
N20 | H75 | sing | 0.97Å | 1.00Å | |
N20 | H76 | sing | 0.97Å | 1.00Å | |
N21 | H77 | sing | 0.97Å | 1.00Å | |
N21 | H78 | sing | 0.97Å | 1.00Å | |
C43 | O6 | doub | 1.21Å | 1.22Å | |
N22 | C44 | sing | 1.47Å | 1.45Å | |
N22 | H79 | sing | 0.97Å | 1.00Å | |
C44 | C45 | sing | 1.53Å | 1.52Å | |
C44 | C49 | sing | 1.51Å | 1.52Å | |
C44 | H80 | sing | 1.09Å | 1.10Å | |
C45 | C46 | sing | 1.53Å | 1.53Å | |
C45 | H81 | sing | 1.09Å | 1.10Å | |
C45 | H82 | sing | 1.09Å | 1.10Å | |
C46 | C47 | sing | 1.53Å | 1.50Å | |
C46 | H83 | sing | 1.09Å | 1.10Å | |
C46 | H84 | sing | 1.09Å | 1.10Å | |
C47 | N23 | sing | 1.46Å | 1.45Å | |
C47 | H85 | sing | 1.09Å | 1.10Å | |
C47 | H86 | sing | 1.09Å | 1.10Å | |
N23 | C48 | sing | 1.37Å | 1.40Å | |
N23 | H87 | sing | 0.97Å | 1.00Å | |
C48 | N24 | sing | 1.33Å | 1.31Å | |
C48 | N25 | doub | 1.33Å | 1.38Å | |
N24 | H88 | sing | 0.97Å | 1.00Å | |
N24 | H89 | sing | 0.97Å | 1.00Å | |
N25 | H90 | sing | 0.97Å | 1.00Å | |
N25 | H91 | sing | 0.97Å | 1.00Å | |
C49 | O7 | doub | 1.21Å | 1.22Å | |
N26 | C50 | sing | 1.46Å | 1.45Å | |
N26 | H92 | sing | 0.97Å | 1.00Å | |
C50 | C51 | sing | 1.53Å | 1.52Å | |
C50 | C55 | sing | 1.51Å | 1.53Å | |
C50 | H93 | sing | 1.09Å | 1.10Å | |
C51 | C52 | sing | 1.53Å | 1.51Å | |
C51 | H94 | sing | 1.09Å | 1.10Å | |
C51 | H95 | sing | 1.09Å | 1.10Å | |
C52 | C53 | sing | 1.53Å | 1.50Å | |
C52 | H96 | sing | 1.09Å | 1.10Å | |
C52 | H97 | sing | 1.09Å | 1.10Å | |
C53 | N27 | sing | 1.47Å | 1.45Å | |
C53 | H98 | sing | 1.09Å | 1.10Å | |
C53 | H99 | sing | 1.09Å | 1.10Å | |
N27 | C54 | sing | 1.37Å | 1.41Å | |
N27 | H100 | sing | 0.97Å | 1.00Å | |
C54 | N28 | sing | 1.33Å | 1.41Å | |
C54 | N29 | doub | 1.33Å | 1.29Å | |
N28 | H101 | sing | 0.97Å | 1.00Å | |
N28 | H102 | sing | 0.97Å | 1.00Å | |
N29 | H103 | sing | 0.97Å | 1.00Å | |
N29 | H104 | sing | 0.97Å | 1.00Å | |
C55 | O8 | doub | 1.21Å | 1.23Å | |
N30 | H105 | sing | 0.97Å | 1.00Å | |
N30 | H106 | sing | 0.97Å | 1.00Å | |
N1 | C11 | sing | 1.35Å | 1.34Å | |
C19 | N6 | sing | 1.35Å | 1.34Å | |
C25 | N10 | sing | 1.35Å | 1.34Å | |
C31 | N14 | sing | 1.35Å | 1.34Å | |
C37 | N18 | sing | 1.35Å | 1.33Å | |
C43 | N22 | sing | 1.35Å | 1.33Å | |
C49 | N26 | sing | 1.35Å | 1.33Å | |
C55 | N30 | sing | 1.35Å | 1.32Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
N1 | C9 | C8 | 110.5° | 108.5° |
C9 | N1 | C10 | 114.6° | 118.2° |
N1 | C9 | H8 | 109.2° | 109.6° |
N1 | C9 | H9 | 109.2° | 109.6° |
C9 | N1 | C11 | 121.0° | 120.9° |
C9 | C8 | N3 | 110.2° | 109.2° |
C9 | C8 | H6 | 109.3° | 110.0° |
C9 | C8 | H7 | 109.3° | 109.2° |
C8 | C9 | H8 | 109.2° | 109.7° |
C8 | C9 | H9 | 109.2° | 109.6° |
N3 | C7 | C10 | 109.8° | 109.3° |
C7 | N3 | C8 | 110.3° | 111.0° |
C7 | N3 | C1 | 119.0° | 111.1° |
N3 | C7 | H4 | 109.4° | 109.5° |
N3 | C7 | H5 | 109.4° | 109.5° |
C7 | C10 | N1 | 110.6° | 108.5° |
C10 | C7 | H4 | 109.4° | 109.2° |
C10 | C7 | H5 | 109.4° | 109.8° |
C7 | C10 | H10 | 109.2° | 109.6° |
C7 | C10 | H11 | 109.2° | 109.6° |
N1 | C10 | H10 | 109.2° | 109.6° |
N1 | C10 | H11 | 109.2° | 109.6° |
C10 | N1 | C11 | 123.5° | 120.9° |
C6 | N2 | C1 | 113.9° | 121.0° |
N2 | C6 | N4 | 129.1° | 122.7° |
N2 | C6 | H3 | 115.5° | 118.7° |
N2 | C1 | N3 | 116.1° | 120.8° |
N2 | C1 | C2 | 125.3° | 118.3° |
C8 | N3 | C1 | 129.3° | 111.1° |
N3 | C8 | H6 | 109.3° | 109.5° |
N3 | C8 | H7 | 109.3° | 109.5° |
N3 | C1 | C2 | 118.6° | 120.9° |
C6 | N4 | C3 | 114.1° | 120.7° |
N4 | C6 | H3 | 115.5° | 118.6° |
C1 | C2 | C3 | 112.0° | 118.6° |
C1 | C2 | C4 | 141.1° | 135.1° |
N4 | C3 | C2 | 125.6° | 118.6° |
N4 | C3 | N5 | 126.2° | 134.3° |
C3 | C2 | C4 | 106.8° | 106.2° |
C2 | C3 | N5 | 108.2° | 107.1° |
C2 | C4 | C5 | 106.7° | 106.8° |
C2 | C4 | H1 | 126.6° | 126.6° |
C3 | N5 | C5 | 107.9° | 110.0° |
C3 | N5 | H12 | 126.0° | 125.0° |
C4 | C5 | N5 | 110.3° | 109.8° |
C5 | C4 | H1 | 126.7° | 126.6° |
C4 | C5 | H2 | 124.9° | 125.1° |
N5 | C5 | H2 | 124.8° | 125.1° |
C5 | N5 | H12 | 126.0° | 125.0° |
H4 | C7 | H5 | 109.5° | 109.5° |
H6 | C8 | H7 | 109.5° | 109.4° |
H8 | C9 | H9 | 109.5° | 109.7° |
H10 | C10 | H11 | 109.5° | 109.8° |
C12 | C11 | O1 | 121.3° | 120.0° |
C11 | C12 | C13 | 113.8° | 109.5° |
C11 | C12 | H13 | 108.4° | 109.4° |
C11 | C12 | H14 | 108.4° | 109.5° |
C12 | C11 | N1 | 117.0° | 120.0° |
O1 | C11 | N1 | 121.7° | 120.0° |
C13 | C12 | H13 | 108.4° | 109.5° |
C13 | C12 | H14 | 108.4° | 109.5° |
C12 | C13 | C14 | 112.1° | 109.4° |
C12 | C13 | H15 | 108.8° | 109.5° |
C12 | C13 | H16 | 108.8° | 109.5° |
H13 | C12 | H14 | 109.5° | 109.5° |
C14 | C13 | H15 | 108.8° | 109.5° |
C14 | C13 | H16 | 108.8° | 109.5° |
C13 | C14 | C15 | 113.1° | 109.4° |
C13 | C14 | H17 | 108.6° | 109.5° |
C13 | C14 | H18 | 108.5° | 109.5° |
H15 | C13 | H16 | 109.5° | 109.5° |
C15 | C14 | H17 | 108.5° | 109.5° |
C15 | C14 | H18 | 108.6° | 109.5° |
C14 | C15 | C16 | 115.2° | 109.4° |
C14 | C15 | H19 | 108.0° | 109.5° |
C14 | C15 | H20 | 108.0° | 109.5° |
H17 | C14 | H18 | 109.5° | 109.5° |
C16 | C15 | H19 | 108.0° | 109.4° |
C16 | C15 | H20 | 108.1° | 109.5° |
C15 | C16 | C17 | 114.3° | 109.4° |
C15 | C16 | H21 | 108.3° | 109.4° |
C15 | C16 | H22 | 108.2° | 109.6° |
H19 | C15 | H20 | 109.5° | 109.5° |
C17 | C16 | H21 | 108.2° | 109.5° |
C17 | C16 | H22 | 108.2° | 109.5° |
C16 | C17 | C18 | 113.8° | 109.4° |
C16 | C17 | H23 | 108.4° | 109.5° |
C16 | C17 | H24 | 108.4° | 109.5° |
H21 | C16 | H22 | 109.5° | 109.5° |
C18 | C17 | H23 | 108.4° | 109.5° |
C18 | C17 | H24 | 108.3° | 109.5° |
C17 | C18 | C19 | 113.8° | 109.4° |
C17 | C18 | H25 | 108.3° | 109.5° |
C17 | C18 | H26 | 108.4° | 109.5° |
H23 | C17 | H24 | 109.5° | 109.5° |
C19 | C18 | H25 | 108.4° | 109.4° |
C19 | C18 | H26 | 108.3° | 109.4° |
C18 | C19 | O2 | 121.6° | 120.0° |
C18 | C19 | N6 | 115.7° | 120.0° |
H25 | C18 | H26 | 109.5° | 109.5° |
O2 | C19 | N6 | 122.7° | 120.0° |
C20 | N6 | H27 | 118.5° | 120.0° |
N6 | C20 | C21 | 111.8° | 109.5° |
N6 | C20 | C25 | 111.7° | 109.5° |
N6 | C20 | H28 | 108.4° | 109.5° |
C20 | N6 | C19 | 123.0° | 120.0° |
H27 | N6 | C19 | 118.5° | 119.9° |
C21 | C20 | C25 | 109.9° | 109.4° |
C21 | C20 | H28 | 107.4° | 109.4° |
C20 | C21 | C22 | 116.5° | 109.5° |
C20 | C21 | H29 | 107.7° | 109.5° |
C20 | C21 | H30 | 107.7° | 109.5° |
C25 | C20 | H28 | 107.4° | 109.5° |
C20 | C25 | O3 | 120.7° | 120.0° |
C20 | C25 | N10 | 116.3° | 120.0° |
C22 | C21 | H29 | 107.7° | 109.5° |
C22 | C21 | H30 | 107.7° | 109.5° |
C21 | C22 | C23 | 111.5° | 109.5° |
C21 | C22 | H31 | 108.9° | 109.4° |
C21 | C22 | H32 | 108.9° | 109.5° |
H29 | C21 | H30 | 109.5° | 109.5° |
C23 | C22 | H31 | 109.0° | 109.5° |
C23 | C22 | H32 | 109.0° | 109.5° |
C22 | C23 | N7 | 112.2° | 109.5° |
C22 | C23 | H33 | 108.8° | 109.5° |
C22 | C23 | H34 | 108.8° | 109.5° |
H31 | C22 | H32 | 109.5° | 109.5° |
N7 | C23 | H33 | 108.8° | 109.5° |
N7 | C23 | H34 | 108.8° | 109.5° |
C23 | N7 | C24 | 120.7° | 120.0° |
C23 | N7 | H35 | 119.7° | 120.0° |
H33 | C23 | H34 | 109.5° | 109.4° |
C24 | N7 | H35 | 119.7° | 120.0° |
N7 | C24 | N8 | 115.2° | 120.0° |
N7 | C24 | N9 | 119.1° | 120.0° |
N8 | C24 | N9 | 125.7° | 120.0° |
C24 | N8 | H36 | 120.0° | 120.0° |
C24 | N8 | H37 | 120.0° | 120.0° |
C24 | N9 | H38 | 120.0° | 120.0° |
C24 | N9 | H39 | 120.0° | 120.0° |
H36 | N8 | H37 | 120.0° | 120.0° |
H38 | N9 | H39 | 120.0° | 120.0° |
O3 | C25 | N10 | 123.0° | 120.0° |
C26 | N10 | H40 | 119.1° | 119.9° |
N10 | C26 | C27 | 110.8° | 109.5° |
N10 | C26 | C31 | 110.6° | 109.5° |
N10 | C26 | H41 | 109.0° | 109.4° |
C26 | N10 | C25 | 121.8° | 120.1° |
H40 | N10 | C25 | 119.1° | 120.0° |
C27 | C26 | C31 | 110.1° | 109.5° |
C27 | C26 | H41 | 108.1° | 109.4° |
C26 | C27 | C28 | 111.9° | 109.5° |
C26 | C27 | H42 | 108.9° | 109.4° |
C26 | C27 | H43 | 108.9° | 109.4° |
C31 | C26 | H41 | 108.1° | 109.5° |
C26 | C31 | O4 | 120.2° | 120.0° |
C26 | C31 | N14 | 116.2° | 120.0° |
C28 | C27 | H42 | 108.9° | 109.5° |
C28 | C27 | H43 | 108.9° | 109.5° |
C27 | C28 | C29 | 111.3° | 109.5° |
C27 | C28 | H44 | 109.0° | 109.5° |
C27 | C28 | H45 | 109.0° | 109.5° |
H42 | C27 | H43 | 109.4° | 109.5° |
C29 | C28 | H44 | 109.0° | 109.5° |
C29 | C28 | H45 | 109.0° | 109.5° |
C28 | C29 | N11 | 111.1° | 109.5° |
C28 | C29 | H46 | 109.0° | 109.4° |
C28 | C29 | H47 | 109.1° | 109.5° |
H44 | C28 | H45 | 109.5° | 109.4° |
N11 | C29 | H46 | 109.1° | 109.4° |
N11 | C29 | H47 | 109.1° | 109.5° |
C29 | N11 | C30 | 119.9° | 120.0° |
C29 | N11 | H48 | 120.1° | 120.0° |
H46 | C29 | H47 | 109.5° | 109.5° |
C30 | N11 | H48 | 120.1° | 120.0° |
N11 | C30 | N12 | 112.2° | 120.0° |
N11 | C30 | N13 | 128.0° | 120.0° |
N12 | C30 | N13 | 119.8° | 120.0° |
C30 | N12 | H49 | 120.0° | 119.9° |
C30 | N12 | H50 | 120.0° | 120.0° |
C30 | N13 | H51 | 120.0° | 120.0° |
C30 | N13 | H52 | 120.0° | 120.0° |
H49 | N12 | H50 | 120.0° | 120.0° |
H51 | N13 | H52 | 120.0° | 120.0° |
O4 | C31 | N14 | 123.6° | 120.0° |
C32 | N14 | H53 | 118.6° | 120.0° |
N14 | C32 | C33 | 110.9° | 109.5° |
N14 | C32 | C37 | 112.1° | 109.5° |
N14 | C32 | H54 | 108.1° | 109.5° |
C32 | N14 | C31 | 122.8° | 120.0° |
H53 | N14 | C31 | 118.6° | 120.0° |
C33 | C32 | C37 | 111.3° | 109.4° |
C33 | C32 | H54 | 107.1° | 109.5° |
C32 | C33 | C34 | 113.4° | 109.4° |
C32 | C33 | H55 | 108.5° | 109.5° |
C32 | C33 | H56 | 108.5° | 109.5° |
C37 | C32 | H54 | 107.1° | 109.5° |
C32 | C37 | O5 | 120.8° | 120.0° |
C32 | C37 | N18 | 116.4° | 120.0° |
C34 | C33 | H55 | 108.5° | 109.5° |
C34 | C33 | H56 | 108.5° | 109.5° |
C33 | C34 | C35 | 111.8° | 109.4° |
C33 | C34 | H57 | 108.9° | 109.4° |
C33 | C34 | H58 | 108.9° | 109.4° |
H55 | C33 | H56 | 109.5° | 109.5° |
C35 | C34 | H57 | 108.9° | 109.5° |
C35 | C34 | H58 | 108.9° | 109.5° |
C34 | C35 | N15 | 111.9° | 109.5° |
C34 | C35 | H59 | 108.8° | 109.5° |
C34 | C35 | H60 | 108.9° | 109.5° |
H57 | C34 | H58 | 109.4° | 109.5° |
N15 | C35 | H59 | 108.8° | 109.5° |
N15 | C35 | H60 | 108.9° | 109.5° |
C35 | N15 | C36 | 123.0° | 120.0° |
C35 | N15 | H61 | 118.5° | 119.9° |
H59 | C35 | H60 | 109.5° | 109.4° |
C36 | N15 | H61 | 118.5° | 120.1° |
N15 | C36 | N16 | 118.8° | 120.0° |
N15 | C36 | N17 | 114.6° | 120.0° |
N16 | C36 | N17 | 126.6° | 120.0° |
C36 | N16 | H62 | 120.0° | 120.0° |
C36 | N16 | H63 | 120.0° | 120.0° |
C36 | N17 | H64 | 120.0° | 120.0° |
C36 | N17 | H65 | 120.0° | 120.0° |
H62 | N16 | H63 | 120.0° | 120.0° |
H64 | N17 | H65 | 120.0° | 120.0° |
O5 | C37 | N18 | 122.7° | 120.0° |
C38 | N18 | H66 | 119.5° | 119.9° |
N18 | C38 | C39 | 111.5° | 109.4° |
N18 | C38 | C43 | 109.2° | 109.5° |
N18 | C38 | H67 | 109.0° | 109.5° |
C38 | N18 | C37 | 121.0° | 120.0° |
H66 | N18 | C37 | 119.5° | 120.0° |
C39 | C38 | C43 | 111.0° | 109.5° |
C39 | C38 | H67 | 108.0° | 109.5° |
C38 | C39 | C40 | 112.9° | 109.5° |
C38 | C39 | H68 | 108.6° | 109.5° |
C38 | C39 | H69 | 108.6° | 109.5° |
C43 | C38 | H67 | 108.0° | 109.5° |
C38 | C43 | O6 | 120.9° | 120.0° |
C38 | C43 | N22 | 115.8° | 120.0° |
C40 | C39 | H68 | 108.6° | 109.4° |
C40 | C39 | H69 | 108.6° | 109.4° |
C39 | C40 | C41 | 111.8° | 109.5° |
C39 | C40 | H70 | 108.9° | 109.4° |
C39 | C40 | H71 | 108.9° | 109.5° |
H68 | C39 | H69 | 109.4° | 109.5° |
C41 | C40 | H70 | 108.9° | 109.5° |
C41 | C40 | H71 | 108.9° | 109.5° |
C40 | C41 | N19 | 112.1° | 109.5° |
C40 | C41 | H72 | 108.8° | 109.4° |
C40 | C41 | H73 | 108.8° | 109.5° |
H70 | C40 | H71 | 109.5° | 109.4° |
N19 | C41 | H72 | 108.8° | 109.5° |
N19 | C41 | H73 | 108.8° | 109.4° |
C41 | N19 | C42 | 120.9° | 120.0° |
C41 | N19 | H74 | 119.5° | 120.0° |
H72 | C41 | H73 | 109.4° | 109.5° |
C42 | N19 | H74 | 119.5° | 120.0° |
N19 | C42 | N20 | 120.8° | 120.0° |
N19 | C42 | N21 | 113.7° | 120.0° |
N20 | C42 | N21 | 125.5° | 120.0° |
C42 | N20 | H75 | 120.0° | 120.0° |
C42 | N20 | H76 | 120.0° | 120.0° |
C42 | N21 | H77 | 120.0° | 120.0° |
C42 | N21 | H78 | 120.0° | 120.0° |
H75 | N20 | H76 | 120.0° | 120.0° |
H77 | N21 | H78 | 120.0° | 120.0° |
O6 | C43 | N22 | 123.3° | 120.0° |
C44 | N22 | H79 | 119.2° | 120.0° |
N22 | C44 | C45 | 109.9° | 109.4° |
N22 | C44 | C49 | 111.0° | 109.5° |
N22 | C44 | H80 | 109.2° | 109.5° |
C44 | N22 | C43 | 121.6° | 120.0° |
H79 | N22 | C43 | 119.2° | 120.0° |
C45 | C44 | C49 | 109.9° | 109.5° |
C45 | C44 | H80 | 108.4° | 109.5° |
C44 | C45 | C46 | 111.0° | 109.5° |
C44 | C45 | H81 | 109.1° | 109.4° |
C44 | C45 | H82 | 109.1° | 109.5° |
C49 | C44 | H80 | 108.3° | 109.5° |
C44 | C49 | O7 | 120.5° | 120.0° |
C44 | C49 | N26 | 116.2° | 120.0° |
C46 | C45 | H81 | 109.1° | 109.4° |
C46 | C45 | H82 | 109.1° | 109.5° |
C45 | C46 | C47 | 110.3° | 109.5° |
C45 | C46 | H83 | 109.3° | 109.4° |
C45 | C46 | H84 | 109.3° | 109.5° |
H81 | C45 | H82 | 109.5° | 109.5° |
C47 | C46 | H83 | 109.2° | 109.5° |
C47 | C46 | H84 | 109.3° | 109.5° |
C46 | C47 | N23 | 112.4° | 109.5° |
C46 | C47 | H85 | 108.8° | 109.5° |
C46 | C47 | H86 | 108.7° | 109.5° |
H83 | C46 | H84 | 109.4° | 109.5° |
N23 | C47 | H85 | 108.7° | 109.4° |
N23 | C47 | H86 | 108.8° | 109.5° |
C47 | N23 | C48 | 126.2° | 120.0° |
C47 | N23 | H87 | 116.9° | 120.0° |
H85 | C47 | H86 | 109.5° | 109.5° |
C48 | N23 | H87 | 116.9° | 120.0° |
N23 | C48 | N24 | 117.5° | 120.0° |
N23 | C48 | N25 | 114.9° | 120.0° |
N24 | C48 | N25 | 127.6° | 120.0° |
C48 | N24 | H88 | 120.0° | 120.0° |
C48 | N24 | H89 | 120.0° | 120.0° |
C48 | N25 | H90 | 120.0° | 120.1° |
C48 | N25 | H91 | 120.0° | 120.0° |
H88 | N24 | H89 | 120.0° | 120.0° |
H90 | N25 | H91 | 120.0° | 120.0° |
O7 | C49 | N26 | 123.2° | 120.0° |
C50 | N26 | H92 | 119.3° | 120.0° |
N26 | C50 | C51 | 109.5° | 109.5° |
N26 | C50 | C55 | 111.3° | 109.5° |
N26 | C50 | H93 | 108.8° | 109.4° |
C50 | N26 | C49 | 121.5° | 120.0° |
H92 | N26 | C49 | 119.2° | 120.0° |
C51 | C50 | C55 | 111.5° | 109.5° |
C51 | C50 | H93 | 107.9° | 109.5° |
C50 | C51 | C52 | 113.3° | 109.5° |
C50 | C51 | H94 | 108.5° | 109.4° |
C50 | C51 | H95 | 108.5° | 109.4° |
C55 | C50 | H93 | 107.7° | 109.5° |
C50 | C55 | O8 | 120.1° | 120.0° |
C50 | C55 | N30 | 117.0° | 120.0° |
C52 | C51 | H94 | 108.5° | 109.5° |
C52 | C51 | H95 | 108.5° | 109.5° |
C51 | C52 | C53 | 110.1° | 109.5° |
C51 | C52 | H96 | 109.3° | 109.5° |
C51 | C52 | H97 | 109.3° | 109.5° |
H94 | C51 | H95 | 109.5° | 109.5° |
C53 | C52 | H96 | 109.3° | 109.4° |
C53 | C52 | H97 | 109.3° | 109.4° |
C52 | C53 | N27 | 111.4° | 109.5° |
C52 | C53 | H98 | 109.0° | 109.5° |
C52 | C53 | H99 | 109.0° | 109.5° |
H96 | C52 | H97 | 109.5° | 109.5° |
N27 | C53 | H98 | 109.0° | 109.4° |
N27 | C53 | H99 | 109.0° | 109.5° |
C53 | N27 | C54 | 124.7° | 120.0° |
C53 | N27 | H100 | 117.6° | 120.0° |
H98 | C53 | H99 | 109.5° | 109.4° |
C54 | N27 | H100 | 117.7° | 120.0° |
N27 | C54 | N28 | 118.2° | 120.0° |
N27 | C54 | N29 | 122.3° | 120.0° |
N28 | C54 | N29 | 119.4° | 120.1° |
C54 | N28 | H101 | 120.0° | 120.0° |
C54 | N28 | H102 | 120.0° | 120.0° |
C54 | N29 | H103 | 120.0° | 119.9° |
C54 | N29 | H104 | 120.0° | 120.0° |
H101 | N28 | H102 | 120.0° | 120.0° |
H103 | N29 | H104 | 120.0° | 120.0° |
O8 | C55 | N30 | 122.9° | 120.0° |
H105 | N30 | H106 | 120.0° | 120.0° |
H105 | N30 | C55 | 120.0° | 120.0° |
H106 | N30 | C55 | 120.0° | 120.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
N1 | C9 | C8 | H8 | 120.2° | 119.7° |
N1 | C9 | C8 | H9 | 120.2° | 119.7° |
C9 | N1 | C10 | C7 | 50.9° | 51.0° |
C9 | N1 | C10 | C11 | 169.5° | 179.8° |
N1 | C9 | C8 | N3 | 54.4° | 54.2° |
N1 | C9 | C8 | H6 | 174.5° | 66.0° |
N1 | C9 | C8 | H7 | 65.8° | 173.9° |
N1 | C9 | H8 | H9 | 119.5° | 120.4° |
C9 | N1 | C10 | H10 | 69.3° | 170.6° |
C9 | N1 | C10 | H11 | 171.0° | 68.7° |
C9 | N1 | C11 | C12 | 166.8° | 0.3° |
C9 | N1 | C11 | O1 | 10.3° | 179.7° |
C9 | C8 | N3 | C7 | 61.4° | 63.6° |
C8 | C9 | N1 | C10 | 50.2° | 51.2° |
C9 | C8 | N3 | H6 | 120.1° | 120.5° |
C9 | C8 | N3 | H7 | 120.1° | 119.5° |
C9 | C8 | N3 | C1 | 132.6° | 172.3° |
C9 | C8 | H6 | H7 | 119.7° | 120.0° |
C8 | C9 | H8 | H9 | 119.5° | 120.5° |
C8 | C9 | N1 | C11 | 140.0° | 128.5° |
N3 | C7 | C10 | H4 | 120.1° | 119.8° |
N3 | C7 | C10 | H5 | 120.0° | 120.1° |
N3 | C7 | C10 | N1 | 55.3° | 53.8° |
C7 | N3 | C1 | N2 | 31.8° | 124.4° |
C7 | N3 | C8 | C1 | 166.0° | 124.2° |
C7 | N3 | C1 | C2 | 147.9° | 55.9° |
N3 | C7 | H4 | H5 | 119.8° | 120.1° |
C7 | N3 | C8 | H6 | 178.5° | 56.9° |
C7 | N3 | C8 | H7 | 58.7° | 176.9° |
N3 | C7 | C10 | H10 | 64.9° | 173.5° |
N3 | C7 | C10 | H11 | 175.5° | 65.8° |
C7 | C10 | N1 | H10 | 120.2° | 119.7° |
C7 | C10 | N1 | H11 | 120.2° | 119.7° |
C10 | C7 | N3 | C8 | 61.8° | 63.4° |
C10 | C7 | N3 | C1 | 130.5° | 172.5° |
C10 | C7 | H4 | H5 | 119.8° | 120.2° |
C7 | C10 | H10 | H11 | 119.5° | 120.5° |
C7 | C10 | N1 | C11 | 139.6° | 128.8° |
N1 | C10 | C7 | H4 | 175.4° | 173.6° |
N1 | C10 | C7 | H5 | 64.7° | 66.3° |
C10 | N1 | C9 | H8 | 70.0° | 68.5° |
C10 | N1 | C9 | H9 | 170.4° | 170.9° |
N1 | C10 | H10 | H11 | 119.5° | 120.5° |
C10 | N1 | C11 | C12 | 2.0° | 180.0° |
C10 | N1 | C11 | O1 | 179.1° | 0.0° |
C6 | N2 | C1 | N3 | 179.8° | 179.7° |
N2 | C6 | N4 | H3 | 180.0° | 180.0° |
C6 | N2 | C1 | C2 | 0.2° | 0.1° |
N2 | C6 | N4 | C3 | 0.1° | 0.0° |
N2 | C1 | N3 | C8 | 163.3° | 0.3° |
N2 | C1 | N3 | C2 | 179.6° | 179.7° |
C1 | N2 | C6 | N4 | 0.1° | 0.1° |
N2 | C1 | C2 | C3 | 0.1° | 0.0° |
N2 | C1 | C2 | C4 | 178.7° | 180.0° |
C1 | N2 | C6 | H3 | 179.9° | 180.0° |
C8 | N3 | C1 | C2 | 17.1° | 180.0° |
C8 | N3 | C7 | H4 | 178.1° | 177.0° |
C8 | N3 | C7 | H5 | 58.2° | 56.9° |
N3 | C8 | H6 | H7 | 119.7° | 120.0° |
N3 | C8 | C9 | H8 | 65.8° | 65.5° |
N3 | C8 | C9 | H9 | 174.5° | 173.9° |
N3 | C1 | C2 | C3 | 179.7° | 179.7° |
N3 | C1 | C2 | C4 | 0.9° | 0.3° |
C1 | N3 | C7 | H4 | 10.5° | 52.8° |
C1 | N3 | C7 | H5 | 109.4° | 67.2° |
C1 | N3 | C8 | H6 | 12.5° | 67.2° |
C1 | N3 | C8 | H7 | 107.2° | 52.7° |
C6 | N4 | C3 | C2 | 0.2° | 0.0° |
C6 | N4 | C3 | N5 | 178.8° | 180.0° |
C1 | C2 | C3 | N4 | 0.1° | 0.0° |
C1 | C2 | C3 | C4 | 179.3° | 180.0° |
C1 | C2 | C3 | N5 | 179.1° | 180.0° |
C1 | C2 | C4 | C5 | 179.0° | 180.0° |
C1 | C2 | C4 | H1 | 1.0° | 0.0° |
N4 | C3 | C2 | N5 | 179.2° | 180.0° |
N4 | C3 | C2 | C4 | 179.4° | 180.0° |
N4 | C3 | N5 | C5 | 179.6° | 180.0° |
C3 | N4 | C6 | H3 | 179.9° | 180.0° |
N4 | C3 | N5 | H12 | 0.4° | 0.1° |
C3 | C2 | C4 | C5 | 0.1° | 0.0° |
C2 | C3 | N5 | C5 | 0.4° | 0.0° |
C3 | C2 | C4 | H1 | 179.9° | 180.0° |
C2 | C3 | N5 | H12 | 179.6° | 180.0° |
C4 | C2 | C3 | N5 | 0.2° | 0.0° |
C2 | C4 | C5 | H1 | 180.0° | 180.0° |
C2 | C4 | C5 | N5 | 0.3° | 0.0° |
C2 | C4 | C5 | H2 | 179.6° | 180.0° |
C3 | N5 | C5 | C4 | 0.5° | 0.0° |
C3 | N5 | C5 | H12 | 180.0° | 180.0° |
C3 | N5 | C5 | H2 | 179.5° | 180.0° |
C4 | C5 | N5 | H2 | 180.0° | 180.0° |
C4 | C5 | N5 | H12 | 179.5° | 180.0° |
N5 | C5 | C4 | H1 | 179.7° | 180.0° |
H1 | C4 | C5 | H2 | 0.4° | 0.0° |
H2 | C5 | N5 | H12 | 0.5° | 0.0° |
H4 | C7 | C10 | H10 | 55.2° | 66.7° |
H4 | C7 | C10 | H11 | 64.5° | 53.9° |
H5 | C7 | C10 | H10 | 175.1° | 53.4° |
H5 | C7 | C10 | H11 | 55.4° | 174.0° |
H6 | C8 | C9 | H8 | 54.3° | 174.3° |
H6 | C8 | C9 | H9 | 65.4° | 53.7° |
H7 | C8 | C9 | H8 | 174.1° | 54.1° |
H7 | C8 | C9 | H9 | 54.4° | 66.4° |
H8 | C9 | N1 | C11 | 99.8° | 111.7° |
H9 | C9 | N1 | C11 | 19.8° | 8.8° |
H10 | C10 | N1 | C11 | 100.2° | 9.1° |
H11 | C10 | N1 | C11 | 19.5° | 111.5° |
C12 | C11 | O1 | N1 | 177.0° | 180.0° |
C11 | C12 | C13 | H13 | 120.6° | 120.0° |
C11 | C12 | C13 | H14 | 120.6° | 120.0° |
C11 | C12 | H13 | H14 | 118.0° | 120.0° |
C11 | C12 | C13 | C14 | 175.3° | 180.0° |
C11 | C12 | C13 | H15 | 64.4° | 60.0° |
C11 | C12 | C13 | H16 | 54.9° | 60.0° |
O1 | C11 | C12 | C13 | 14.0° | 0.0° |
O1 | C11 | C12 | H13 | 134.6° | 120.0° |
O1 | C11 | C12 | H14 | 106.6° | 120.0° |
C13 | C12 | H13 | H14 | 118.0° | 120.0° |
C12 | C13 | C14 | H15 | 120.4° | 120.0° |
C12 | C13 | C14 | H16 | 120.4° | 120.0° |
C12 | C13 | H15 | H16 | 118.8° | 120.0° |
C12 | C13 | C14 | C15 | 170.5° | NaN° |
C12 | C13 | C14 | H17 | 68.9° | 60.0° |
C12 | C13 | C14 | H18 | 50.0° | 60.0° |
C13 | C12 | C11 | N1 | 163.1° | 180.0° |
H13 | C12 | C13 | C14 | 54.6° | 60.0° |
H13 | C12 | C13 | H15 | 175.0° | 180.0° |
H13 | C12 | C13 | H16 | 65.7° | 59.9° |
H13 | C12 | C11 | N1 | 42.5° | 60.0° |
H14 | C12 | C13 | C14 | 64.1° | 60.0° |
H14 | C12 | C13 | H15 | 56.3° | 59.9° |
H14 | C12 | C13 | H16 | 175.5° | 180.0° |
H14 | C12 | C11 | N1 | 76.3° | 60.0° |
C14 | C13 | H15 | H16 | 118.8° | 120.0° |
C13 | C14 | C15 | H17 | 120.5° | 120.0° |
C13 | C14 | C15 | H18 | 120.6° | 120.0° |
C13 | C14 | H17 | H18 | 118.3° | 120.0° |
C13 | C14 | C15 | C16 | 170.4° | 180.0° |
C13 | C14 | C15 | H19 | 68.7° | 60.0° |
C13 | C14 | C15 | H20 | 49.6° | 60.0° |
H15 | C13 | C14 | C15 | 50.2° | 60.0° |
H15 | C13 | C14 | H17 | 170.7° | 180.0° |
H15 | C13 | C14 | H18 | 70.4° | 59.9° |
H16 | C13 | C14 | C15 | 69.1° | 60.0° |
H16 | C13 | C14 | H17 | 51.5° | 60.0° |
H16 | C13 | C14 | H18 | 170.4° | 180.0° |
C15 | C14 | H17 | H18 | 118.3° | 120.0° |
C14 | C15 | C16 | H19 | 120.8° | 119.9° |
C14 | C15 | C16 | H20 | 120.8° | 120.0° |
C14 | C15 | H19 | H20 | 117.4° | 120.0° |
C14 | C15 | C16 | C17 | 139.7° | NaN° |
C14 | C15 | C16 | H21 | 18.9° | 60.1° |
C14 | C15 | C16 | H22 | 99.6° | 60.0° |
H17 | C14 | C15 | C16 | 49.9° | 60.0° |
H17 | C14 | C15 | H19 | 170.7° | 180.0° |
H17 | C14 | C15 | H20 | 70.9° | 60.0° |
H18 | C14 | C15 | C16 | 69.0° | 60.0° |
H18 | C14 | C15 | H19 | 51.8° | 59.9° |
H18 | C14 | C15 | H20 | 170.2° | 180.0° |
C16 | C15 | H19 | H20 | 117.4° | 120.0° |
C15 | C16 | C17 | H21 | 120.7° | 119.9° |
C15 | C16 | C17 | H22 | 120.7° | 120.1° |
C15 | C16 | H21 | H22 | 117.8° | 120.1° |
C15 | C16 | C17 | C18 | 45.4° | 180.0° |
C15 | C16 | C17 | H23 | 75.3° | 60.0° |
C15 | C16 | C17 | H24 | 166.0° | 60.0° |
H19 | C15 | C16 | C17 | 99.5° | 60.1° |
H19 | C15 | C16 | H21 | 139.7° | 180.0° |
H19 | C15 | C16 | H22 | 21.2° | 59.9° |
H20 | C15 | C16 | C17 | 18.8° | 60.0° |
H20 | C15 | C16 | H21 | 101.9° | 60.0° |
H20 | C15 | C16 | H22 | 139.5° | 180.0° |
C17 | C16 | H21 | H22 | 117.8° | 120.0° |
C16 | C17 | C18 | H23 | 120.7° | 120.0° |
C16 | C17 | C18 | H24 | 120.6° | 120.0° |
C16 | C17 | H23 | H24 | 118.0° | 120.0° |
C16 | C17 | C18 | C19 | 99.5° | 180.0° |
C16 | C17 | C18 | H25 | 21.2° | 60.0° |
C16 | C17 | C18 | H26 | 139.9° | 60.0° |
H21 | C16 | C17 | C18 | 166.1° | 60.0° |
H21 | C16 | C17 | H23 | 45.5° | 180.0° |
H21 | C16 | C17 | H24 | 73.3° | 59.9° |
H22 | C16 | C17 | C18 | 75.3° | 60.0° |
H22 | C16 | C17 | H23 | 164.0° | 60.0° |
H22 | C16 | C17 | H24 | 45.3° | 179.9° |
C18 | C17 | H23 | H24 | 118.0° | 120.0° |
C17 | C18 | C19 | H25 | 120.6° | 120.0° |
C17 | C18 | C19 | H26 | 120.6° | 120.0° |
C17 | C18 | H25 | H26 | 118.0° | 120.1° |
C17 | C18 | C19 | O2 | 20.0° | 0.0° |
C17 | C18 | C19 | N6 | 160.2° | 180.0° |
H23 | C17 | C18 | C19 | 139.9° | 60.0° |
H23 | C17 | C18 | H25 | 99.5° | 180.0° |
H23 | C17 | C18 | H26 | 19.2° | 59.9° |
H24 | C17 | C18 | C19 | 21.2° | 60.0° |
H24 | C17 | C18 | H25 | 141.8° | 59.9° |
H24 | C17 | C18 | H26 | 99.5° | 180.0° |
C19 | C18 | H25 | H26 | 118.0° | 120.0° |
C18 | C19 | O2 | N6 | 179.8° | 180.0° |
C18 | C19 | N6 | C20 | 102.2° | 180.0° |
C18 | C19 | N6 | H27 | 77.8° | 0.0° |
H25 | C18 | C19 | O2 | 100.7° | 120.0° |
H25 | C18 | C19 | N6 | 79.2° | 60.0° |
H26 | C18 | C19 | O2 | 140.6° | 120.0° |
H26 | C18 | C19 | N6 | 39.6° | 60.0° |
O2 | C19 | N6 | C20 | 77.6° | 0.0° |
O2 | C19 | N6 | H27 | 102.4° | 180.0° |
C20 | N6 | H27 | C19 | 180.0° | 180.0° |
N6 | C20 | C21 | C25 | 124.6° | 120.0° |
N6 | C20 | C21 | H28 | 118.8° | 120.0° |
N6 | C20 | C25 | H28 | 118.8° | 120.0° |
N6 | C20 | C21 | C22 | 42.4° | 65.0° |
N6 | C20 | C21 | H29 | 163.4° | 175.0° |
N6 | C20 | C21 | H30 | 78.7° | 55.0° |
N6 | C20 | C25 | O3 | 102.9° | 0.0° |
N6 | C20 | C25 | N10 | 77.0° | 180.0° |
H27 | N6 | C20 | C21 | 50.0° | 95.0° |
H27 | N6 | C20 | C25 | 173.6° | 25.0° |
H27 | N6 | C20 | H28 | 68.2° | 145.1° |
C21 | C20 | C25 | H28 | 116.6° | 120.0° |
C20 | C21 | C22 | H29 | 121.0° | 120.0° |
C20 | C21 | C22 | H30 | 121.0° | 120.0° |
C20 | C21 | H29 | H30 | 116.8° | 120.0° |
C20 | C21 | C22 | C23 | 122.2° | 180.0° |
C20 | C21 | C22 | H31 | 1.9° | 60.1° |
C20 | C21 | C22 | H32 | 117.5° | 60.0° |
C21 | C20 | C25 | O3 | 21.8° | 120.0° |
C21 | C20 | N6 | C19 | 130.0° | 85.0° |
C21 | C20 | C25 | N10 | 158.3° | 60.1° |
C25 | C20 | C21 | C22 | 167.0° | 175.0° |
C25 | C20 | C21 | H29 | 72.0° | 55.0° |
C25 | C20 | C21 | H30 | 45.9° | 65.0° |
C20 | C25 | O3 | N10 | 179.9° | 179.9° |
C20 | C25 | N10 | C26 | 143.8° | 180.0° |
C20 | C25 | N10 | H40 | 36.2° | 0.1° |
C25 | C20 | N6 | C19 | 6.4° | 155.0° |
H28 | C20 | C21 | C22 | 76.4° | 55.0° |
H28 | C20 | C21 | H29 | 44.6° | 65.0° |
H28 | C20 | C21 | H30 | 162.5° | 175.0° |
H28 | C20 | C25 | O3 | 138.4° | 120.0° |
H28 | C20 | N6 | C19 | 111.8° | 35.0° |
H28 | C20 | C25 | N10 | 41.8° | 59.9° |
C22 | C21 | H29 | H30 | 116.8° | 120.0° |
C21 | C22 | C23 | H31 | 120.3° | 119.9° |
C21 | C22 | C23 | H32 | 120.3° | 120.1° |
C21 | C22 | H31 | H32 | 119.0° | 120.1° |
C21 | C22 | C23 | N7 | 70.5° | 180.0° |
C21 | C22 | C23 | H33 | 49.9° | 60.0° |
C21 | C22 | C23 | H34 | 169.1° | 59.9° |
H29 | C21 | C22 | C23 | 116.8° | 60.0° |
H29 | C21 | C22 | H31 | 122.9° | 180.0° |
H29 | C21 | C22 | H32 | 3.6° | 60.0° |
H30 | C21 | C22 | C23 | 1.2° | 60.0° |
H30 | C21 | C22 | H31 | 119.2° | 60.0° |
H30 | C21 | C22 | H32 | 121.5° | 180.0° |
C23 | C22 | H31 | H32 | 119.1° | 120.0° |
C22 | C23 | N7 | H33 | 120.4° | 120.0° |
C22 | C23 | N7 | H34 | 120.4° | 120.0° |
C22 | C23 | H33 | H34 | 118.8° | 120.0° |
C22 | C23 | N7 | C24 | 117.9° | 180.0° |
C22 | C23 | N7 | H35 | 62.1° | 0.0° |
H31 | C22 | C23 | N7 | 169.2° | 60.0° |
H31 | C22 | C23 | H33 | 70.4° | 179.9° |
H31 | C22 | C23 | H34 | 48.8° | 60.0° |
H32 | C22 | C23 | N7 | 49.8° | 60.0° |
H32 | C22 | C23 | H33 | 170.2° | 60.0° |
H32 | C22 | C23 | H34 | 70.6° | 180.0° |
N7 | C23 | H33 | H34 | 118.7° | 120.0° |
C23 | N7 | C24 | H35 | 180.0° | 180.0° |
C23 | N7 | C24 | N8 | 152.1° | 0.0° |
C23 | N7 | C24 | N9 | 28.6° | 179.9° |
H33 | C23 | N7 | C24 | 2.5° | 60.0° |
H33 | C23 | N7 | H35 | 177.5° | 120.0° |
H34 | C23 | N7 | C24 | 121.7° | 60.0° |
H34 | C23 | N7 | H35 | 58.3° | 120.1° |
N7 | C24 | N8 | N9 | 179.3° | 179.9° |
N7 | C24 | N8 | H36 | 179.2° | 0.0° |
N7 | C24 | N8 | H37 | 0.7° | 180.0° |
N7 | C24 | N9 | H38 | 179.3° | 180.0° |
N7 | C24 | N9 | H39 | 0.7° | 0.1° |
H35 | N7 | C24 | N8 | 27.9° | 180.0° |
H35 | N7 | C24 | N9 | 151.4° | 0.0° |
C24 | N8 | H36 | H37 | 180.0° | 180.0° |
N8 | C24 | N9 | H38 | 0.0° | 0.1° |
N8 | C24 | N9 | H39 | 180.0° | 180.0° |
N9 | C24 | N8 | H36 | 0.0° | 180.0° |
N9 | C24 | N8 | H37 | 180.0° | 0.1° |
C24 | N9 | H38 | H39 | 180.0° | 179.9° |
O3 | C25 | N10 | C26 | 36.4° | 0.0° |
O3 | C25 | N10 | H40 | 143.6° | 180.0° |
C26 | N10 | H40 | C25 | 180.0° | 180.0° |
N10 | C26 | C27 | C31 | 122.7° | 120.0° |
N10 | C26 | C27 | H41 | 119.4° | 120.0° |
N10 | C26 | C31 | H41 | 119.3° | 120.0° |
N10 | C26 | C27 | C28 | 105.0° | 65.0° |
N10 | C26 | C27 | H42 | 134.6° | 175.0° |
N10 | C26 | C27 | H43 | 15.4° | 55.1° |
N10 | C26 | C31 | O4 | 31.5° | 0.0° |
N10 | C26 | C31 | N14 | 148.2° | 180.0° |
H40 | N10 | C26 | C27 | 56.6° | 95.0° |
H40 | N10 | C26 | C31 | 65.9° | 25.0° |
H40 | N10 | C26 | H41 | 175.4° | 145.0° |
C27 | C26 | C31 | H41 | 117.9° | 120.0° |
C26 | C27 | C28 | H42 | 120.4° | 120.0° |
C26 | C27 | C28 | H43 | 120.4° | 120.0° |
C26 | C27 | H42 | H43 | 118.9° | 119.9° |
C26 | C27 | C28 | C29 | 134.1° | 180.0° |
C26 | C27 | C28 | H44 | 13.8° | 60.0° |
C26 | C27 | C28 | H45 | 105.6° | 60.0° |
C27 | C26 | C31 | O4 | 91.4° | 120.0° |
C27 | C26 | N10 | C25 | 123.4° | 85.0° |
C27 | C26 | C31 | N14 | 89.0° | 60.0° |
C31 | C26 | C27 | C28 | 132.3° | 175.0° |
C31 | C26 | C27 | H42 | 11.9° | 55.0° |
C31 | C26 | C27 | H43 | 107.4° | 65.0° |
C26 | C31 | O4 | N14 | 179.7° | 180.0° |
C26 | C31 | N14 | C32 | 144.0° | 180.0° |
C26 | C31 | N14 | H53 | 36.0° | 0.0° |
C31 | C26 | N10 | C25 | 114.1° | 155.0° |
H41 | C26 | C27 | C28 | 14.4° | 55.0° |
H41 | C26 | C27 | H42 | 106.0° | 65.0° |
H41 | C26 | C27 | H43 | 134.7° | 175.0° |
H41 | C26 | C31 | O4 | 150.7° | 120.0° |
H41 | C26 | N10 | C25 | 4.6° | 35.0° |
H41 | C26 | C31 | N14 | 28.9° | 60.0° |
C28 | C27 | H42 | H43 | 118.9° | 120.1° |
C27 | C28 | C29 | H44 | 120.3° | 120.0° |
C27 | C28 | C29 | H45 | 120.3° | 120.0° |
C27 | C28 | H44 | H45 | 119.2° | 120.0° |
C27 | C28 | C29 | N11 | 173.5° | 180.0° |
C27 | C28 | C29 | H46 | 66.3° | 60.1° |
C27 | C28 | C29 | H47 | 53.2° | 60.0° |
H42 | C27 | C28 | C29 | 105.5° | 60.0° |
H42 | C27 | C28 | H44 | 134.2° | 180.0° |
H42 | C27 | C28 | H45 | 14.8° | 60.0° |
H43 | C27 | C28 | C29 | 13.8° | 60.0° |
H43 | C27 | C28 | H44 | 106.5° | 60.0° |
H43 | C27 | C28 | H45 | 134.0° | 180.0° |
C29 | C28 | H44 | H45 | 119.2° | 120.0° |
C28 | C29 | N11 | H46 | 120.2° | 119.9° |
C28 | C29 | N11 | H47 | 120.2° | 120.0° |
C28 | C29 | H46 | H47 | 119.2° | 120.0° |
C28 | C29 | N11 | C30 | 163.7° | 180.0° |
C28 | C29 | N11 | H48 | 16.4° | 0.0° |
H44 | C28 | C29 | N11 | 53.2° | 60.0° |
H44 | C28 | C29 | H46 | 173.5° | 179.9° |
H44 | C28 | C29 | H47 | 67.0° | 60.0° |
H45 | C28 | C29 | N11 | 66.2° | 60.0° |
H45 | C28 | C29 | H46 | 54.0° | 60.0° |
H45 | C28 | C29 | H47 | 173.5° | 180.0° |
N11 | C29 | H46 | H47 | 119.3° | 120.1° |
C29 | N11 | C30 | H48 | 180.0° | 180.0° |
C29 | N11 | C30 | N12 | 178.8° | 0.0° |
C29 | N11 | C30 | N13 | 1.6° | 180.0° |
H46 | C29 | N11 | C30 | 43.4° | 60.0° |
H46 | C29 | N11 | H48 | 136.6° | 119.9° |
H47 | C29 | N11 | C30 | 76.1° | 60.0° |
H47 | C29 | N11 | H48 | 103.9° | 120.0° |
N11 | C30 | N12 | N13 | 179.7° | 180.0° |
N11 | C30 | N12 | H49 | 179.7° | 0.1° |
N11 | C30 | N12 | H50 | 0.3° | 179.9° |
N11 | C30 | N13 | H51 | 179.7° | 180.0° |
N11 | C30 | N13 | H52 | 0.3° | 0.1° |
H48 | N11 | C30 | N12 | 1.2° | 180.0° |
H48 | N11 | C30 | N13 | 178.5° | 0.1° |
C30 | N12 | H49 | H50 | 180.0° | 179.9° |
N12 | C30 | N13 | H51 | 0.0° | 0.0° |
N12 | C30 | N13 | H52 | 180.0° | 180.0° |
N13 | C30 | N12 | H49 | 0.0° | 179.9° |
N13 | C30 | N12 | H50 | 180.0° | 0.1° |
C30 | N13 | H51 | H52 | 180.0° | 180.0° |
O4 | C31 | N14 | C32 | 36.4° | 0.0° |
O4 | C31 | N14 | H53 | 143.6° | 180.0° |
C32 | N14 | H53 | C31 | 180.0° | 180.0° |
N14 | C32 | C33 | C37 | 125.6° | 120.0° |
N14 | C32 | C33 | H54 | 117.7° | 120.0° |
N14 | C32 | C37 | H54 | 118.4° | 120.0° |
N14 | C32 | C33 | C34 | 162.4° | 65.0° |
N14 | C32 | C33 | H55 | 77.0° | 175.0° |
N14 | C32 | C33 | H56 | 41.8° | 55.0° |
N14 | C32 | C37 | O5 | 52.0° | 0.1° |
N14 | C32 | C37 | N18 | 126.4° | 180.0° |
H53 | N14 | C32 | C33 | 38.5° | 94.9° |
H53 | N14 | C32 | C37 | 163.6° | 25.0° |
H53 | N14 | C32 | H54 | 78.6° | 145.0° |
C33 | C32 | C37 | H54 | 116.7° | 120.0° |
C32 | C33 | C34 | H55 | 120.6° | 120.0° |
C32 | C33 | C34 | H56 | 120.6° | 120.0° |
C32 | C33 | H55 | H56 | 118.2° | 120.0° |
C32 | C33 | C34 | C35 | 170.2° | 180.0° |
C32 | C33 | C34 | H57 | 49.8° | 60.0° |
C32 | C33 | C34 | H58 | 69.4° | 60.0° |
C33 | C32 | C37 | O5 | 72.9° | 120.1° |
C33 | C32 | N14 | C31 | 141.5° | 85.0° |
C33 | C32 | C37 | N18 | 108.8° | 60.0° |
C37 | C32 | C33 | C34 | 72.0° | 175.0° |
C37 | C32 | C33 | H55 | 48.5° | 55.0° |
C37 | C32 | C33 | H56 | 167.4° | 65.0° |
C32 | C37 | O5 | N18 | 178.2° | 179.9° |
C32 | C37 | N18 | C38 | 166.9° | 180.0° |
C32 | C37 | N18 | H66 | 13.1° | 0.0° |
C37 | C32 | N14 | C31 | 16.4° | 155.0° |
H54 | C32 | C33 | C34 | 44.7° | 55.0° |
H54 | C32 | C33 | H55 | 165.3° | 64.9° |
H54 | C32 | C33 | H56 | 75.9° | 175.1° |
H54 | C32 | C37 | O5 | 170.4° | 120.0° |
H54 | C32 | N14 | C31 | 101.4° | 35.0° |
H54 | C32 | C37 | N18 | 8.0° | 59.9° |
C34 | C33 | H55 | H56 | 118.2° | 120.1° |
C33 | C34 | C35 | H57 | 120.3° | 119.9° |
C33 | C34 | C35 | H58 | 120.4° | 120.0° |
C33 | C34 | H57 | H58 | 118.9° | 120.0° |
C33 | C34 | C35 | N15 | 62.6° | 180.0° |
C33 | C34 | C35 | H59 | 57.8° | 60.0° |
C33 | C34 | C35 | H60 | 177.1° | 60.0° |
H55 | C33 | C34 | C35 | 69.3° | 60.1° |
H55 | C33 | C34 | H57 | 170.4° | 180.0° |
H55 | C33 | C34 | H58 | 51.1° | 60.0° |
H56 | C33 | C34 | C35 | 49.6° | 60.0° |
H56 | C33 | C34 | H57 | 70.8° | 60.0° |
H56 | C33 | C34 | H58 | 170.0° | 180.0° |
C35 | C34 | H57 | H58 | 119.0° | 120.1° |
C34 | C35 | N15 | H59 | 120.3° | 120.0° |
C34 | C35 | N15 | H60 | 120.4° | 120.0° |
C34 | C35 | H59 | H60 | 118.9° | 120.0° |
C34 | C35 | N15 | C36 | 77.6° | 180.0° |
C34 | C35 | N15 | H61 | 102.4° | 0.0° |
H57 | C34 | C35 | N15 | 177.1° | 60.1° |
H57 | C34 | C35 | H59 | 62.6° | 179.9° |
H57 | C34 | C35 | H60 | 56.7° | 59.9° |
H58 | C34 | C35 | N15 | 57.8° | 60.1° |
H58 | C34 | C35 | H59 | 178.1° | 60.0° |
H58 | C34 | C35 | H60 | 62.6° | 179.9° |
N15 | C35 | H59 | H60 | 118.9° | 120.0° |
C35 | N15 | C36 | H61 | 180.0° | 180.0° |
C35 | N15 | C36 | N16 | 179.3° | 0.0° |
C35 | N15 | C36 | N17 | 0.1° | 180.0° |
H59 | C35 | N15 | C36 | 162.0° | 60.0° |
H59 | C35 | N15 | H61 | 18.0° | 120.0° |
H60 | C35 | N15 | C36 | 42.8° | 60.0° |
H60 | C35 | N15 | H61 | 137.3° | 120.0° |
N15 | C36 | N16 | N17 | 179.1° | 180.0° |
N15 | C36 | N16 | H62 | 179.1° | 0.1° |
N15 | C36 | N16 | H63 | 0.9° | 180.0° |
N15 | C36 | N17 | H64 | 179.1° | 180.0° |
N15 | C36 | N17 | H65 | 0.9° | 0.1° |
H61 | N15 | C36 | N16 | 0.8° | 180.0° |
H61 | N15 | C36 | N17 | 180.0° | 0.0° |
C36 | N16 | H62 | H63 | 180.0° | 179.9° |
N16 | C36 | N17 | H64 | 0.0° | 0.1° |
N16 | C36 | N17 | H65 | 180.0° | 180.0° |
N17 | C36 | N16 | H62 | 0.0° | 180.0° |
N17 | C36 | N16 | H63 | 180.0° | 0.1° |
C36 | N17 | H64 | H65 | 180.0° | 179.9° |
O5 | C37 | N18 | C38 | 14.8° | 0.1° |
O5 | C37 | N18 | H66 | 165.2° | 179.9° |
C38 | N18 | H66 | C37 | 180.0° | 180.0° |
N18 | C38 | C39 | C43 | 122.0° | 120.0° |
N18 | C38 | C39 | H67 | 119.7° | 120.0° |
N18 | C38 | C43 | H67 | 118.5° | 120.0° |
N18 | C38 | C39 | C40 | 63.1° | 65.0° |
N18 | C38 | C39 | H68 | 176.3° | 175.0° |
N18 | C38 | C39 | H69 | 57.4° | 55.0° |
N18 | C38 | C43 | O6 | 50.7° | 0.1° |
N18 | C38 | C43 | N22 | 126.9° | 180.0° |
H66 | N18 | C38 | C39 | 27.6° | 95.0° |
H66 | N18 | C38 | C43 | 95.5° | 25.0° |
H66 | N18 | C38 | H67 | 146.7° | 145.0° |
C39 | C38 | C43 | H67 | 118.2° | 120.0° |
C38 | C39 | C40 | H68 | 120.5° | 120.0° |
C38 | C39 | C40 | H69 | 120.5° | 120.0° |
C38 | C39 | H68 | H69 | 118.4° | 120.0° |
C38 | C39 | C40 | C41 | 138.6° | 180.0° |
C38 | C39 | C40 | H70 | 18.2° | 60.0° |
C38 | C39 | C40 | H71 | 101.1° | 60.0° |
C39 | C38 | C43 | O6 | 72.6° | 120.0° |
C39 | C38 | N18 | C37 | 152.4° | 85.0° |
C39 | C38 | C43 | N22 | 109.7° | 60.0° |
C43 | C38 | C39 | C40 | 174.8° | 175.0° |
C43 | C38 | C39 | H68 | 54.3° | 55.0° |
C43 | C38 | C39 | H69 | 64.7° | 65.0° |
C38 | C43 | O6 | N22 | 177.5° | 179.9° |
C38 | C43 | N22 | C44 | 170.6° | 180.0° |
C38 | C43 | N22 | H79 | 9.4° | 0.1° |
C43 | C38 | N18 | C37 | 84.5° | 155.0° |
H67 | C38 | C39 | C40 | 56.6° | 55.0° |
H67 | C38 | C39 | H68 | 63.9° | 65.0° |
H67 | C38 | C39 | H69 | 177.1° | 175.0° |
H67 | C38 | C43 | O6 | 169.2° | 120.0° |
H67 | C38 | N18 | C37 | 33.3° | 34.9° |
H67 | C38 | C43 | N22 | 8.5° | 60.0° |
C40 | C39 | H68 | H69 | 118.4° | 120.0° |
C39 | C40 | C41 | H70 | 120.4° | 120.0° |
C39 | C40 | C41 | H71 | 120.4° | 120.1° |
C39 | C40 | H70 | H71 | 118.9° | 120.0° |
C39 | C40 | C41 | N19 | 95.1° | 180.0° |
C39 | C40 | C41 | H72 | 25.3° | 60.0° |
C39 | C40 | C41 | H73 | 144.5° | 60.0° |
H68 | C39 | C40 | C41 | 100.9° | 60.0° |
H68 | C39 | C40 | H70 | 138.7° | NaN° |
H68 | C39 | C40 | H71 | 19.5° | 60.1° |
H69 | C39 | C40 | C41 | 18.0° | 60.0° |
H69 | C39 | C40 | H70 | 102.3° | 60.0° |
H69 | C39 | C40 | H71 | 138.4° | 180.0° |
C41 | C40 | H70 | H71 | 118.9° | 120.0° |
C40 | C41 | N19 | H72 | 120.4° | 120.0° |
C40 | C41 | N19 | H73 | 120.4° | 120.0° |
C40 | C41 | H72 | H73 | 118.8° | 120.0° |
C40 | C41 | N19 | C42 | 77.8° | 180.0° |
C40 | C41 | N19 | H74 | 102.2° | 0.0° |
H70 | C40 | C41 | N19 | 144.5° | 60.0° |
H70 | C40 | C41 | H72 | 95.1° | 180.0° |
H70 | C40 | C41 | H73 | 24.1° | 60.0° |
H71 | C40 | C41 | N19 | 25.2° | 60.0° |
H71 | C40 | C41 | H72 | 145.6° | 60.1° |
H71 | C40 | C41 | H73 | 95.2° | 179.9° |
N19 | C41 | H72 | H73 | 118.8° | 120.0° |
C41 | N19 | C42 | H74 | 180.0° | 180.0° |
C41 | N19 | C42 | N20 | 23.6° | 0.0° |
C41 | N19 | C42 | N21 | 156.2° | 180.0° |
H72 | C41 | N19 | C42 | 161.8° | 60.0° |
H72 | C41 | N19 | H74 | 18.2° | 120.0° |
H73 | C41 | N19 | C42 | 42.6° | 60.0° |
H73 | C41 | N19 | H74 | 137.4° | 120.0° |
N19 | C42 | N20 | N21 | 179.8° | 180.0° |
N19 | C42 | N20 | H75 | 179.8° | 0.0° |
N19 | C42 | N20 | H76 | 0.2° | 179.9° |
N19 | C42 | N21 | H77 | 179.8° | 0.0° |
N19 | C42 | N21 | H78 | 0.2° | 180.0° |
H74 | N19 | C42 | N20 | 156.4° | 180.0° |
H74 | N19 | C42 | N21 | 23.8° | 0.0° |
C42 | N20 | H75 | H76 | 180.0° | 179.9° |
N20 | C42 | N21 | H77 | 0.0° | 180.0° |
N20 | C42 | N21 | H78 | 180.0° | 0.0° |
N21 | C42 | N20 | H75 | 0.0° | 180.0° |
N21 | C42 | N20 | H76 | 180.0° | 0.1° |
C42 | N21 | H77 | H78 | 180.0° | 180.0° |
O6 | C43 | N22 | C44 | 11.8° | 0.1° |
O6 | C43 | N22 | H79 | 168.2° | 180.0° |
C44 | N22 | H79 | C43 | 180.0° | 180.0° |
N22 | C44 | C45 | C49 | 122.5° | 120.0° |
N22 | C44 | C45 | H80 | 119.3° | 120.0° |
N22 | C44 | C49 | H80 | 119.9° | 120.0° |
N22 | C44 | C45 | C46 | 67.3° | 65.0° |
N22 | C44 | C45 | H81 | 172.5° | 175.0° |
N22 | C44 | C45 | H82 | 52.9° | 55.0° |
N22 | C44 | C49 | O7 | 23.6° | 0.1° |
N22 | C44 | C49 | N26 | 158.7° | 180.0° |
H79 | N22 | C44 | C45 | 5.0° | 95.0° |
H79 | N22 | C44 | C49 | 116.9° | 25.0° |
H79 | N22 | C44 | H80 | 123.8° | 145.0° |
C45 | C44 | C49 | H80 | 118.2° | 120.0° |
C44 | C45 | C46 | H81 | 120.2° | 119.9° |
C44 | C45 | C46 | H82 | 120.2° | 120.0° |
C44 | C45 | H81 | H82 | 119.3° | 120.0° |
C44 | C45 | C46 | C47 | 161.5° | 180.0° |
C44 | C45 | C46 | H83 | 78.4° | 60.0° |
C44 | C45 | C46 | H84 | 41.4° | 59.9° |
C45 | C44 | C49 | O7 | 98.2° | 119.9° |
C45 | C44 | N22 | C43 | 175.0° | 85.0° |
C45 | C44 | C49 | N26 | 79.5° | 60.0° |
C49 | C44 | C45 | C46 | 170.2° | 175.0° |
C49 | C44 | C45 | H81 | 50.0° | 55.0° |
C49 | C44 | C45 | H82 | 69.6° | 65.0° |
C44 | C49 | O7 | N26 | 177.5° | 179.9° |
C44 | C49 | N26 | C50 | 177.3° | 180.0° |
C44 | C49 | N26 | H92 | 2.7° | 0.0° |
C49 | C44 | N22 | C43 | 63.2° | 155.0° |
H80 | C44 | C45 | C46 | 52.0° | 55.0° |
H80 | C44 | C45 | H81 | 68.2° | 65.0° |
H80 | C44 | C45 | H82 | 172.3° | 175.0° |
H80 | C44 | C49 | O7 | 143.6° | 120.1° |
H80 | C44 | N22 | C43 | 56.2° | 34.9° |
H80 | C44 | C49 | N26 | 38.8° | 60.0° |
C46 | C45 | H81 | H82 | 119.3° | 120.0° |
C45 | C46 | C47 | H83 | 120.2° | 120.0° |
C45 | C46 | C47 | H84 | 120.1° | 120.0° |
C45 | C46 | H83 | H84 | 119.6° | 120.0° |
C45 | C46 | C47 | N23 | 170.1° | 180.0° |
C45 | C46 | C47 | H85 | 69.5° | 60.0° |
C45 | C46 | C47 | H86 | 49.6° | 60.0° |
H81 | C45 | C46 | C47 | 41.3° | 60.1° |
H81 | C45 | C46 | H83 | 161.4° | 179.9° |
H81 | C45 | C46 | H84 | 78.9° | 60.0° |
H82 | C45 | C46 | C47 | 78.3° | 60.0° |
H82 | C45 | C46 | H83 | 41.9° | 60.0° |
H82 | C45 | C46 | H84 | 161.6° | 180.0° |
C47 | C46 | H83 | H84 | 119.6° | 120.0° |
C46 | C47 | N23 | H85 | 120.4° | 120.0° |
C46 | C47 | N23 | H86 | 120.4° | 120.0° |
C46 | C47 | H85 | H86 | 118.7° | 120.0° |
C46 | C47 | N23 | C48 | 88.5° | 180.0° |
C46 | C47 | N23 | H87 | 91.5° | 0.0° |
H83 | C46 | C47 | N23 | 49.9° | 60.0° |
H83 | C46 | C47 | H85 | 170.3° | NaN° |
H83 | C46 | C47 | H86 | 70.5° | 60.0° |
H84 | C46 | C47 | N23 | 69.8° | 60.0° |
H84 | C46 | C47 | H85 | 50.6° | 60.0° |
H84 | C46 | C47 | H86 | 169.7° | 180.0° |
N23 | C47 | H85 | H86 | 118.7° | 120.0° |
C47 | N23 | C48 | H87 | 180.0° | 180.0° |
C47 | N23 | C48 | N24 | 178.2° | 0.0° |
C47 | N23 | C48 | N25 | 1.2° | 180.0° |
H85 | C47 | N23 | C48 | 32.0° | 60.0° |
H85 | C47 | N23 | H87 | 148.0° | 120.0° |
H86 | C47 | N23 | C48 | 151.1° | 60.0° |
H86 | C47 | N23 | H87 | 28.9° | 120.1° |
N23 | C48 | N24 | N25 | 179.3° | 180.0° |
N23 | C48 | N24 | H88 | 179.3° | 0.0° |
N23 | C48 | N24 | H89 | 0.7° | 180.0° |
N23 | C48 | N25 | H90 | 179.3° | 0.0° |
N23 | C48 | N25 | H91 | 0.7° | 179.9° |
H87 | N23 | C48 | N24 | 1.8° | 179.9° |
H87 | N23 | C48 | N25 | 178.8° | 0.1° |
C48 | N24 | H88 | H89 | 180.0° | 180.0° |
N24 | C48 | N25 | H90 | 0.0° | 180.0° |
N24 | C48 | N25 | H91 | 180.0° | 0.1° |
N25 | C48 | N24 | H88 | 0.0° | 180.0° |
N25 | C48 | N24 | H89 | 180.0° | 0.0° |
C48 | N25 | H90 | H91 | 180.0° | 179.9° |
O7 | C49 | N26 | C50 | 0.3° | 0.0° |
O7 | C49 | N26 | H92 | 179.7° | 179.9° |
C50 | N26 | H92 | C49 | 180.0° | 179.9° |
N26 | C50 | C51 | C55 | 123.6° | 120.0° |
N26 | C50 | C51 | H93 | 118.2° | 120.0° |
N26 | C50 | C55 | H93 | 119.1° | 120.0° |
N26 | C50 | C51 | C52 | 169.4° | 65.0° |
N26 | C50 | C51 | H94 | 48.9° | 175.0° |
N26 | C50 | C51 | H95 | 70.0° | 55.0° |
N26 | C50 | C55 | O8 | 135.6° | 0.0° |
N26 | C50 | C55 | N30 | 43.5° | 179.9° |
H92 | N26 | C50 | C51 | 8.0° | 25.1° |
H92 | N26 | C50 | C55 | 115.8° | 95.0° |
H92 | N26 | C50 | H93 | 125.7° | 145.1° |
C51 | C50 | C55 | H93 | 118.2° | 120.0° |
C50 | C51 | C52 | H94 | 120.6° | 120.0° |
C50 | C51 | C52 | H95 | 120.5° | 120.0° |
C50 | C51 | H94 | H95 | 118.2° | 120.0° |
C50 | C51 | C52 | C53 | 170.8° | 180.0° |
C50 | C51 | C52 | H96 | 50.7° | 60.0° |
C50 | C51 | C52 | H97 | 69.1° | 60.0° |
C51 | C50 | C55 | O8 | 101.7° | 120.0° |
C51 | C50 | N26 | C49 | 172.0° | 155.0° |
C51 | C50 | C55 | N30 | 79.1° | 60.0° |
C55 | C50 | C51 | C52 | 45.8° | 175.0° |
C55 | C50 | C51 | H94 | 74.8° | 55.0° |
C55 | C50 | C51 | H95 | 166.4° | 65.0° |
C50 | C55 | O8 | N30 | 179.1° | 179.9° |
C50 | C55 | N30 | H105 | 179.1° | 0.1° |
C50 | C55 | N30 | H106 | 0.8° | 180.0° |
C55 | C50 | N26 | C49 | 64.2° | 85.0° |
H93 | C50 | C51 | C52 | 72.3° | 55.0° |
H93 | C50 | C51 | H94 | 167.1° | 65.0° |
H93 | C50 | C51 | H95 | 48.2° | 175.0° |
H93 | C50 | C55 | O8 | 16.5° | 120.0° |
H93 | C50 | N26 | C49 | 54.3° | 35.0° |
H93 | C50 | C55 | N30 | 162.6° | 60.0° |
C52 | C51 | H94 | H95 | 118.3° | 120.1° |
C51 | C52 | C53 | H96 | 120.1° | 120.0° |
C51 | C52 | C53 | H97 | 120.1° | 120.0° |
C51 | C52 | H96 | H97 | 119.7° | 120.1° |
C51 | C52 | C53 | N27 | 170.8° | 180.0° |
C51 | C52 | C53 | H98 | 50.5° | 60.0° |
C51 | C52 | C53 | H99 | 68.9° | 60.0° |
H94 | C51 | C52 | C53 | 68.6° | 60.0° |
H94 | C51 | C52 | H96 | 171.3° | 180.0° |
H94 | C51 | C52 | H97 | 51.5° | 59.9° |
H95 | C51 | C52 | C53 | 50.3° | 60.0° |
H95 | C51 | C52 | H96 | 69.8° | 59.9° |
H95 | C51 | C52 | H97 | 170.4° | NaN° |
C53 | C52 | H96 | H97 | 119.8° | 119.9° |
C52 | C53 | N27 | H98 | 120.3° | 120.0° |
C52 | C53 | N27 | H99 | 120.3° | 120.1° |
C52 | C53 | H98 | H99 | 119.1° | 120.0° |
C52 | C53 | N27 | C54 | 87.9° | 180.0° |
C52 | C53 | N27 | H100 | 92.1° | 0.0° |
H96 | C52 | C53 | N27 | 69.1° | 60.0° |
H96 | C52 | C53 | H98 | 170.6° | 180.0° |
H96 | C52 | C53 | H99 | 51.2° | 60.0° |
H97 | C52 | C53 | N27 | 50.7° | 60.0° |
H97 | C52 | C53 | H98 | 69.6° | 60.0° |
H97 | C52 | C53 | H99 | 171.0° | 180.0° |
N27 | C53 | H98 | H99 | 119.1° | 120.0° |
C53 | N27 | C54 | H100 | 180.0° | 180.0° |
C53 | N27 | C54 | N28 | 1.0° | 0.0° |
C53 | N27 | C54 | N29 | 176.3° | 180.0° |
H98 | C53 | N27 | C54 | 32.4° | 60.0° |
H98 | C53 | N27 | H100 | 147.6° | 120.0° |
H99 | C53 | N27 | C54 | 151.8° | 59.9° |
H99 | C53 | N27 | H100 | 28.2° | 120.0° |
N27 | C54 | N28 | N29 | 177.3° | 180.0° |
N27 | C54 | N28 | H101 | 177.3° | 0.0° |
N27 | C54 | N28 | H102 | 2.6° | 179.9° |
N27 | C54 | N29 | H103 | 177.2° | 180.0° |
N27 | C54 | N29 | H104 | 2.8° | 0.0° |
H100 | N27 | C54 | N28 | 179.0° | 180.0° |
H100 | N27 | C54 | N29 | 3.8° | 0.0° |
C54 | N28 | H101 | H102 | 180.0° | 179.9° |
N28 | C54 | N29 | H103 | 0.0° | 0.0° |
N28 | C54 | N29 | H104 | 180.0° | 180.0° |
N29 | C54 | N28 | H101 | 0.0° | 180.0° |
N29 | C54 | N28 | H102 | 180.0° | 0.1° |
C54 | N29 | H103 | H104 | 180.0° | 180.0° |
O8 | C55 | N30 | H105 | 0.0° | 180.0° |
O8 | C55 | N30 | H106 | 180.0° | 0.0° |
H105 | N30 | H106 | C55 | 180.0° | 180.0° |