PRD_000927
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
N1 | C1 | sing | 1.47Å | 1.50Å | |
N1 | H1 | sing | 1.01Å | 1.00Å | |
N1 | H2 | sing | 1.01Å | 1.00Å | |
C1 | C2 | sing | 1.51Å | 1.54Å | |
C1 | C3 | sing | 1.53Å | 1.53Å | |
C1 | H3 | sing | 1.09Å | 1.10Å | |
C2 | O1 | doub | 1.21Å | 1.23Å | |
C3 | H4 | sing | 1.09Å | 1.10Å | |
C3 | H5 | sing | 1.09Å | 1.10Å | |
C3 | H6 | sing | 1.09Å | 1.10Å | |
N2 | C4 | sing | 1.46Å | 1.48Å | |
N2 | H7 | sing | 0.97Å | 1.00Å | |
C4 | C5 | sing | 1.51Å | 1.56Å | |
C4 | C6 | sing | 1.53Å | 1.56Å | |
C4 | H8 | sing | 1.09Å | 1.10Å | |
C5 | O2 | doub | 1.22Å | 1.24Å | |
C6 | S1 | sing | 1.81Å | 1.84Å | |
C6 | H9 | sing | 1.09Å | 1.10Å | |
C6 | H10 | sing | 1.09Å | 1.10Å | |
N3 | C7 | sing | 1.47Å | 1.49Å | |
N3 | H11 | sing | 0.97Å | 1.00Å | |
C7 | C8 | sing | 1.51Å | 1.55Å | |
C7 | C9 | sing | 1.53Å | 1.55Å | |
C7 | H12 | sing | 1.09Å | 1.10Å | |
C8 | O3 | doub | 1.21Å | 1.23Å | |
C9 | O4 | sing | 1.43Å | 1.41Å | |
C9 | H13 | sing | 1.09Å | 1.10Å | |
C9 | H14 | sing | 1.09Å | 1.10Å | |
O4 | H15 | sing | 0.97Å | 0.95Å | |
N4 | C10 | sing | 1.46Å | 1.47Å | |
N4 | H16 | sing | 0.97Å | 1.00Å | |
C10 | C11 | sing | 1.51Å | 1.53Å | |
C10 | C12 | sing | 1.53Å | 1.54Å | |
C10 | H17 | sing | 1.09Å | 1.10Å | |
C11 | O5 | doub | 1.21Å | 1.22Å | |
C12 | C13 | sing | 1.53Å | 1.54Å | |
C12 | H18 | sing | 1.09Å | 1.10Å | |
C12 | H19 | sing | 1.09Å | 1.10Å | |
C13 | C14 | sing | 1.53Å | 1.54Å | |
C13 | H20 | sing | 1.09Å | 1.10Å | |
C13 | H21 | sing | 1.09Å | 1.10Å | |
C14 | N5 | sing | 1.46Å | 1.48Å | |
C14 | H22 | sing | 1.09Å | 1.10Å | |
C14 | H23 | sing | 1.09Å | 1.10Å | |
N5 | C15 | sing | 1.37Å | 1.34Å | |
N5 | H24 | sing | 0.97Å | 1.00Å | |
C15 | N6 | sing | 1.33Å | 1.34Å | |
C15 | N7 | doub | 1.33Å | 1.33Å | |
N6 | H25 | sing | 0.97Å | 1.00Å | |
N6 | H26 | sing | 0.97Å | 1.00Å | |
N7 | H27 | sing | 0.97Å | 1.00Å | |
N7 | H28 | sing | 0.97Å | 1.00Å | |
N8 | C16 | sing | 1.46Å | 1.46Å | |
N8 | H29 | sing | 0.98Å | 1.00Å | |
C16 | C17 | sing | 1.51Å | 1.51Å | |
C16 | C18 | sing | 1.53Å | 1.55Å | |
C16 | H30 | sing | 1.10Å | 1.10Å | |
C17 | O6 | doub | 1.21Å | 1.22Å | |
C18 | C19 | sing | 1.51Å | 1.51Å | |
C18 | H31 | sing | 1.09Å | 1.10Å | |
C18 | H32 | sing | 1.09Å | 1.10Å | |
C19 | C20 | doub | 1.38Å | 1.38Å | Aromatic |
C19 | C21 | sing | 1.38Å | 1.39Å | Aromatic |
C20 | C22 | sing | 1.38Å | 1.36Å | Aromatic |
C20 | H33 | sing | 1.08Å | 1.08Å | |
C21 | C23 | doub | 1.38Å | 1.39Å | Aromatic |
C21 | H34 | sing | 1.08Å | 1.08Å | |
C22 | C24 | doub | 1.39Å | 1.34Å | Aromatic |
C22 | H35 | sing | 1.08Å | 1.08Å | |
C23 | C24 | sing | 1.39Å | 1.39Å | Aromatic |
C23 | H36 | sing | 1.08Å | 1.08Å | |
C24 | O7 | sing | 1.36Å | 1.36Å | |
O7 | H37 | sing | 0.97Å | 0.95Å | |
N9 | C25 | sing | 1.47Å | 1.43Å | |
N9 | H38 | sing | 0.97Å | 1.00Å | |
C25 | C26 | sing | 1.51Å | 1.53Å | |
C25 | C27 | sing | 1.53Å | 1.52Å | |
C25 | H39 | sing | 1.09Å | 1.10Å | |
C26 | O8 | doub | 1.22Å | 1.21Å | |
C27 | C28 | sing | 1.53Å | 1.52Å | |
C27 | H40 | sing | 1.09Å | 1.10Å | |
C27 | H41 | sing | 1.09Å | 1.10Å | |
C28 | C29 | sing | 1.51Å | 1.50Å | |
C28 | H42 | sing | 1.09Å | 1.10Å | |
C28 | H43 | sing | 1.09Å | 1.10Å | |
C29 | O9 | doub | 1.21Å | 1.24Å | |
C29 | O10 | sing | 1.34Å | 1.25Å | |
O10 | H44 | sing | 0.97Å | 0.95Å | |
N10 | C30 | sing | 1.47Å | 1.45Å | |
N10 | H45 | sing | 0.97Å | 1.00Å | |
C30 | C31 | sing | 1.50Å | 1.54Å | |
C30 | C32 | sing | 1.53Å | 1.56Å | |
C30 | H46 | sing | 1.10Å | 1.10Å | |
C31 | O11 | doub | 1.22Å | 1.23Å | |
C32 | C33 | sing | 1.53Å | 1.51Å | |
C32 | C34 | sing | 1.53Å | 1.53Å | |
C32 | H47 | sing | 1.09Å | 1.10Å | |
C33 | H48 | sing | 1.09Å | 1.10Å | |
C33 | H49 | sing | 1.09Å | 1.10Å | |
C33 | H50 | sing | 1.09Å | 1.10Å | |
C34 | H51 | sing | 1.09Å | 1.10Å | |
C34 | H52 | sing | 1.09Å | 1.10Å | |
C34 | H53 | sing | 1.09Å | 1.10Å | |
N11 | C35 | sing | 1.47Å | 1.50Å | |
N11 | H54 | sing | 0.97Å | 1.00Å | |
C35 | C36 | sing | 1.51Å | 1.56Å | |
C35 | C37 | sing | 1.53Å | 1.54Å | |
C35 | H55 | sing | 1.09Å | 1.10Å | |
C36 | O12 | doub | 1.21Å | 1.24Å | |
C37 | C38 | sing | 1.51Å | 1.51Å | |
C37 | H56 | sing | 1.09Å | 1.10Å | |
C37 | H57 | sing | 1.09Å | 1.10Å | |
C38 | O13 | doub | 1.21Å | 1.22Å | |
C38 | O14 | sing | 1.34Å | 1.26Å | |
O14 | H58 | sing | 0.97Å | 0.95Å | |
N12 | C39 | sing | 1.47Å | 1.47Å | |
N12 | H59 | sing | 0.97Å | 1.00Å | |
C39 | C40 | sing | 1.51Å | 1.53Å | |
C39 | C41 | sing | 1.53Å | 1.52Å | |
C39 | H60 | sing | 1.09Å | 1.10Å | |
C40 | O15 | doub | 1.21Å | 1.21Å | |
C41 | S2 | sing | 1.82Å | 1.80Å | |
C41 | H61 | sing | 1.09Å | 1.10Å | |
C41 | H62 | sing | 1.09Å | 1.10Å | |
N13 | C42 | sing | 1.47Å | 1.46Å | |
N13 | H63 | sing | 0.97Å | 1.00Å | |
C42 | C43 | sing | 1.50Å | 1.50Å | |
C42 | C44 | sing | 1.52Å | 1.51Å | |
C42 | H64 | sing | 1.10Å | 1.10Å | |
C43 | O16 | doub | 1.24Å | 1.24Å | |
C44 | C45 | sing | 1.53Å | 1.51Å | |
C44 | H65 | sing | 1.09Å | 1.10Å | |
C44 | H66 | sing | 1.09Å | 1.10Å | |
C45 | C46 | sing | 1.53Å | 1.53Å | |
C45 | H67 | sing | 1.09Å | 1.10Å | |
C45 | H68 | sing | 1.09Å | 1.10Å | |
C46 | N14 | sing | 1.46Å | 1.47Å | |
C46 | H69 | sing | 1.09Å | 1.10Å | |
C46 | H70 | sing | 1.09Å | 1.10Å | |
N14 | C47 | sing | 1.37Å | 1.33Å | |
N14 | H71 | sing | 0.97Å | 1.00Å | |
C47 | N15 | sing | 1.33Å | 1.32Å | |
C47 | N16 | doub | 1.33Å | 1.32Å | |
N15 | H72 | sing | 0.97Å | 1.00Å | |
N15 | H73 | sing | 0.97Å | 1.00Å | |
N16 | H74 | sing | 0.97Å | 1.00Å | |
N16 | H75 | sing | 0.97Å | 1.00Å | |
N17 | C48 | sing | 1.45Å | 1.45Å | |
N17 | H76 | sing | 1.00Å | 1.00Å | |
C48 | C49 | sing | 1.51Å | 1.50Å | |
C48 | H77 | sing | 1.09Å | 1.10Å | |
C48 | H78 | sing | 1.09Å | 1.10Å | |
C49 | O17 | doub | 1.21Å | 1.22Å | |
N18 | C50 | sing | 1.47Å | 1.45Å | |
N18 | H79 | sing | 0.97Å | 1.00Å | |
C50 | C51 | sing | 1.50Å | 1.50Å | |
C50 | C52 | sing | 1.53Å | 1.54Å | |
C50 | H80 | sing | 1.08Å | 1.10Å | |
C51 | O18 | doub | 1.24Å | 1.22Å | |
C52 | C53 | sing | 1.53Å | 1.48Å | |
C52 | H81 | sing | 1.09Å | 1.10Å | |
C52 | H82 | sing | 1.09Å | 1.10Å | |
C53 | C54 | sing | 1.53Å | 1.50Å | |
C53 | H83 | sing | 1.09Å | 1.10Å | |
C53 | H84 | sing | 1.09Å | 1.10Å | |
C54 | N19 | sing | 1.46Å | 1.45Å | |
C54 | H85 | sing | 1.09Å | 1.10Å | |
C54 | H86 | sing | 1.09Å | 1.10Å | |
N19 | C55 | sing | 1.37Å | 1.33Å | |
N19 | H87 | sing | 0.97Å | 1.00Å | |
C55 | N20 | sing | 1.33Å | 1.32Å | |
C55 | N21 | doub | 1.33Å | 1.35Å | |
N20 | H88 | sing | 0.97Å | 1.00Å | |
N20 | H89 | sing | 0.97Å | 1.00Å | |
N21 | H90 | sing | 0.97Å | 1.00Å | |
N21 | H91 | sing | 0.97Å | 1.00Å | |
N22 | C56 | sing | 1.45Å | 1.42Å | |
C56 | C57 | sing | 1.52Å | 1.49Å | |
C56 | C58 | sing | 1.52Å | 1.56Å | |
C57 | O19 | doub | 1.22Å | 1.21Å | |
C58 | C59 | sing | 1.53Å | 1.53Å | |
N22 | H92 | sing | 1.01Å | 1.00Å | |
C56 | H93 | sing | 1.10Å | 1.10Å | |
C58 | H94 | sing | 1.09Å | 1.10Å | |
C58 | H95 | sing | 1.09Å | 1.10Å | |
C59 | H96 | sing | 1.09Å | 1.10Å | |
C59 | H97 | sing | 1.09Å | 1.10Å | |
C59 | H98 | sing | 1.09Å | 1.10Å | |
N23 | C60 | sing | 1.46Å | 1.46Å | |
N23 | H99 | sing | 0.98Å | 1.00Å | |
C60 | C61 | sing | 1.51Å | 1.51Å | |
C60 | C62 | sing | 1.52Å | 1.52Å | |
C60 | H100 | sing | 1.10Å | 1.10Å | |
C61 | O20 | doub | 1.21Å | 1.23Å | |
C62 | O21 | sing | 1.43Å | 1.40Å | |
C62 | H101 | sing | 1.09Å | 1.10Å | |
C62 | H102 | sing | 1.09Å | 1.10Å | |
O21 | H103 | sing | 0.97Å | 0.95Å | |
N24 | C63 | sing | 1.46Å | 1.46Å | |
N24 | H104 | sing | 0.97Å | 1.00Å | |
C63 | C64 | sing | 1.51Å | 1.50Å | |
C63 | C65 | sing | 1.53Å | 1.53Å | |
C63 | H105 | sing | 1.09Å | 1.10Å | |
C64 | O22 | doub | 1.22Å | 1.24Å | |
C65 | H106 | sing | 1.09Å | 1.10Å | |
C65 | H107 | sing | 1.09Å | 1.10Å | |
C65 | H108 | sing | 1.09Å | 1.10Å | |
N25 | C66 | sing | 1.47Å | 1.46Å | |
N25 | H109 | sing | 0.97Å | 1.00Å | |
C66 | C67 | sing | 1.51Å | 1.53Å | |
C66 | C68 | sing | 1.53Å | 1.54Å | |
C66 | H110 | sing | 1.09Å | 1.10Å | |
C67 | O23 | doub | 1.21Å | 1.23Å | |
C68 | S3 | sing | 1.81Å | 1.81Å | |
C68 | H111 | sing | 1.09Å | 1.10Å | |
C68 | H112 | sing | 1.09Å | 1.10Å | |
N26 | C69 | sing | 1.46Å | 1.46Å | |
N26 | H113 | sing | 0.97Å | 1.00Å | |
C69 | C70 | sing | 1.51Å | 1.52Å | |
C69 | H114 | sing | 1.09Å | 1.10Å | |
C69 | H115 | sing | 1.09Å | 1.10Å | |
C70 | O24 | doub | 1.21Å | 1.23Å | |
N27 | H116 | sing | 0.97Å | 1.00Å | |
N27 | H117 | sing | 0.97Å | 1.00Å | |
C71 | C72 | doub | 1.38Å | 1.40Å | Aromatic |
C71 | C76 | sing | 1.39Å | 1.42Å | Aromatic |
C71 | C77 | sing | 1.50Å | 1.42Å | |
C72 | C73 | sing | 1.38Å | 1.41Å | Aromatic |
C73 | C74 | doub | 1.38Å | 1.40Å | Aromatic |
C73 | C78 | sing | 1.51Å | 1.39Å | |
C74 | C75 | sing | 1.38Å | 1.39Å | Aromatic |
C75 | C76 | doub | 1.38Å | 1.41Å | Aromatic |
C75 | C79 | sing | 1.51Å | 1.39Å | |
C72 | H118 | sing | 1.08Å | 1.08Å | |
C74 | H119 | sing | 1.08Å | 1.08Å | |
C76 | H120 | sing | 1.08Å | 1.08Å | |
C77 | H121 | sing | 1.09Å | 1.10Å | |
C77 | H122 | sing | 1.09Å | 1.10Å | |
C78 | H123 | sing | 1.09Å | 1.10Å | |
C78 | H124 | sing | 1.09Å | 1.10Å | |
C79 | H125 | sing | 1.09Å | 1.10Å | |
C79 | H126 | sing | 1.09Å | 1.10Å | |
C2 | N2 | sing | 1.35Å | 1.34Å | |
C5 | N3 | sing | 1.34Å | 1.35Å | |
S1 | C78 | sing | 1.81Å | 1.84Å | |
C8 | N4 | sing | 1.35Å | 1.33Å | |
C11 | N8 | sing | 1.34Å | 1.33Å | |
C17 | N9 | sing | 1.35Å | 1.33Å | |
C26 | N10 | sing | 1.35Å | 1.32Å | |
C31 | N11 | sing | 1.35Å | 1.34Å | |
C36 | N12 | sing | 1.35Å | 1.33Å | |
C40 | N13 | sing | 1.35Å | 1.33Å | |
S2 | C77 | sing | 1.81Å | 1.88Å | |
C43 | N17 | sing | 1.33Å | 1.33Å | |
C49 | N18 | sing | 1.34Å | 1.32Å | |
C51 | N22 | sing | 1.32Å | 1.32Å | |
C57 | N23 | sing | 1.34Å | 1.33Å | |
C61 | N24 | sing | 1.35Å | 1.33Å | |
C64 | N25 | sing | 1.35Å | 1.32Å | |
C67 | N26 | sing | 1.35Å | 1.33Å | |
S3 | C79 | sing | 1.82Å | 1.84Å | |
C70 | N27 | sing | 1.35Å | 1.33Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C1 | N1 | H1 | 109.5° | 111.0° |
C1 | N1 | H2 | 109.5° | 111.0° |
N1 | C1 | C2 | 111.9° | 109.5° |
N1 | C1 | C3 | 110.3° | 109.5° |
N1 | C1 | H3 | 108.0° | 109.5° |
H1 | N1 | H2 | 109.5° | 111.0° |
C2 | C1 | C3 | 111.2° | 109.5° |
C2 | C1 | H3 | 107.5° | 109.5° |
C1 | C2 | O1 | 120.7° | 120.0° |
C1 | C2 | N2 | 116.4° | 120.0° |
C3 | C1 | H3 | 107.6° | 109.4° |
C1 | C3 | H4 | 109.5° | 109.5° |
C1 | C3 | H5 | 109.5° | 109.5° |
C1 | C3 | H6 | 109.5° | 109.5° |
O1 | C2 | N2 | 122.9° | 120.1° |
H4 | C3 | H5 | 109.5° | 109.5° |
H4 | C3 | H6 | 109.4° | 109.5° |
H5 | C3 | H6 | 109.4° | 109.5° |
C4 | N2 | H7 | 118.6° | 120.0° |
N2 | C4 | C5 | 110.8° | 110.0° |
N2 | C4 | C6 | 109.1° | 109.7° |
N2 | C4 | H8 | 107.5° | 109.2° |
C4 | N2 | C2 | 122.8° | 120.0° |
H7 | N2 | C2 | 118.6° | 120.0° |
C5 | C4 | C6 | 116.0° | 109.6° |
C5 | C4 | H8 | 106.6° | 109.1° |
C4 | C5 | O2 | 120.3° | 119.3° |
C4 | C5 | N3 | 117.0° | 120.9° |
C6 | C4 | H8 | 106.5° | 109.2° |
C4 | C6 | S1 | 126.1° | 109.8° |
C4 | C6 | H9 | 105.2° | 109.5° |
C4 | C6 | H10 | 105.2° | 109.4° |
O2 | C5 | N3 | 122.7° | 119.9° |
S1 | C6 | H9 | 105.2° | 109.3° |
S1 | C6 | H10 | 105.2° | 109.4° |
C6 | S1 | C78 | 119.2° | 103.2° |
H9 | C6 | H10 | 109.5° | 109.4° |
C7 | N3 | H11 | 118.7° | 119.5° |
N3 | C7 | C8 | 116.7° | 109.8° |
N3 | C7 | C9 | 109.9° | 109.0° |
N3 | C7 | H12 | 106.4° | 109.5° |
C7 | N3 | C5 | 122.6° | 120.1° |
H11 | N3 | C5 | 118.7° | 120.5° |
C8 | C7 | C9 | 111.7° | 109.6° |
C8 | C7 | H12 | 105.7° | 109.5° |
C7 | C8 | O3 | 121.3° | 119.8° |
C7 | C8 | N4 | 116.1° | 120.5° |
C9 | C7 | H12 | 105.7° | 109.5° |
C7 | C9 | O4 | 113.2° | 109.5° |
C7 | C9 | H13 | 108.6° | 109.4° |
C7 | C9 | H14 | 108.5° | 109.5° |
O3 | C8 | N4 | 122.4° | 119.8° |
O4 | C9 | H13 | 108.5° | 109.4° |
O4 | C9 | H14 | 108.5° | 109.5° |
C9 | O4 | H15 | 109.5° | 114.0° |
H13 | C9 | H14 | 109.4° | 109.4° |
C10 | N4 | H16 | 117.9° | 119.2° |
N4 | C10 | C11 | 111.8° | 109.2° |
N4 | C10 | C12 | 109.6° | 109.5° |
N4 | C10 | H17 | 109.7° | 110.1° |
C10 | N4 | C8 | 124.1° | 120.4° |
H16 | N4 | C8 | 118.0° | 120.3° |
C11 | C10 | C12 | 108.1° | 109.1° |
C11 | C10 | H17 | 108.8° | 109.3° |
C10 | C11 | O5 | 120.2° | 118.9° |
C10 | C11 | N8 | 116.7° | 119.3° |
C12 | C10 | H17 | 108.7° | 109.7° |
C10 | C12 | C13 | 114.6° | 109.4° |
C10 | C12 | H18 | 108.1° | 109.5° |
C10 | C12 | H19 | 108.1° | 109.5° |
O5 | C11 | N8 | 123.1° | 121.8° |
C13 | C12 | H18 | 108.2° | 109.4° |
C13 | C12 | H19 | 108.2° | 109.5° |
C12 | C13 | C14 | 114.2° | 109.5° |
C12 | C13 | H20 | 108.3° | 109.5° |
C12 | C13 | H21 | 108.3° | 109.5° |
H18 | C12 | H19 | 109.5° | 109.5° |
C14 | C13 | H20 | 108.3° | 109.4° |
C14 | C13 | H21 | 108.3° | 109.4° |
C13 | C14 | N5 | 113.3° | 109.5° |
C13 | C14 | H22 | 108.5° | 109.4° |
C13 | C14 | H23 | 108.5° | 109.4° |
H20 | C13 | H21 | 109.4° | 109.4° |
N5 | C14 | H22 | 108.5° | 109.5° |
N5 | C14 | H23 | 108.5° | 109.5° |
C14 | N5 | C15 | 126.1° | 120.0° |
C14 | N5 | H24 | 117.0° | 120.0° |
H22 | C14 | H23 | 109.5° | 109.4° |
C15 | N5 | H24 | 117.0° | 120.0° |
N5 | C15 | N6 | 122.6° | 120.0° |
N5 | C15 | N7 | 119.1° | 120.0° |
N6 | C15 | N7 | 118.4° | 120.0° |
C15 | N6 | H25 | 120.0° | 119.9° |
C15 | N6 | H26 | 120.0° | 120.0° |
C15 | N7 | H27 | 120.0° | 120.1° |
C15 | N7 | H28 | 120.0° | 120.0° |
H25 | N6 | H26 | 120.0° | 120.1° |
H27 | N7 | H28 | 120.0° | 119.9° |
C16 | N8 | H29 | 118.3° | 118.8° |
N8 | C16 | C17 | 110.4° | 110.4° |
N8 | C16 | C18 | 110.3° | 110.7° |
N8 | C16 | H30 | 109.7° | 108.5° |
C16 | N8 | C11 | 123.5° | 123.0° |
H29 | N8 | C11 | 118.2° | 118.1° |
C17 | C16 | C18 | 109.0° | 110.1° |
C17 | C16 | H30 | 108.9° | 108.6° |
C16 | C17 | O6 | 119.6° | 120.4° |
C16 | C17 | N9 | 116.8° | 119.8° |
C18 | C16 | H30 | 108.5° | 108.5° |
C16 | C18 | C19 | 111.6° | 109.5° |
C16 | C18 | H31 | 108.9° | 109.5° |
C16 | C18 | H32 | 108.9° | 109.5° |
O6 | C17 | N9 | 123.6° | 119.9° |
C19 | C18 | H31 | 108.9° | 109.4° |
C19 | C18 | H32 | 108.9° | 109.4° |
C18 | C19 | C20 | 120.0° | 119.9° |
C18 | C19 | C21 | 121.8° | 119.9° |
H31 | C18 | H32 | 109.5° | 109.5° |
C20 | C19 | C21 | 118.2° | 120.1° |
C19 | C20 | C22 | 121.9° | 120.0° |
C19 | C20 | H33 | 119.1° | 119.9° |
C19 | C21 | C23 | 120.0° | 120.0° |
C19 | C21 | H34 | 120.0° | 120.0° |
C22 | C20 | H33 | 119.0° | 120.0° |
C20 | C22 | C24 | 119.7° | 120.0° |
C20 | C22 | H35 | 120.2° | 120.0° |
C23 | C21 | H34 | 120.0° | 120.0° |
C21 | C23 | C24 | 119.2° | 120.0° |
C21 | C23 | H36 | 120.3° | 120.0° |
C24 | C22 | H35 | 120.2° | 120.0° |
C22 | C24 | C23 | 121.0° | 119.9° |
C22 | C24 | O7 | 115.5° | 120.1° |
C24 | C23 | H36 | 120.4° | 120.0° |
C23 | C24 | O7 | 123.5° | 120.1° |
C24 | O7 | H37 | 109.5° | 113.9° |
C25 | N9 | H38 | 119.8° | 120.4° |
N9 | C25 | C26 | 109.8° | 109.7° |
N9 | C25 | C27 | 111.9° | 109.1° |
N9 | C25 | H39 | 109.4° | 109.3° |
C25 | N9 | C17 | 120.4° | 119.7° |
H38 | N9 | C17 | 119.8° | 119.9° |
C26 | C25 | C27 | 109.2° | 109.8° |
C26 | C25 | H39 | 108.1° | 109.3° |
C25 | C26 | O8 | 121.6° | 119.2° |
C25 | C26 | N10 | 115.0° | 121.5° |
C27 | C25 | H39 | 108.3° | 109.7° |
C25 | C27 | C28 | 110.5° | 109.5° |
C25 | C27 | H40 | 109.2° | 109.4° |
C25 | C27 | H41 | 109.2° | 109.5° |
O8 | C26 | N10 | 123.4° | 119.3° |
C28 | C27 | H40 | 109.2° | 109.5° |
C28 | C27 | H41 | 109.2° | 109.5° |
C27 | C28 | C29 | 113.8° | 109.4° |
C27 | C28 | H42 | 108.4° | 109.5° |
C27 | C28 | H43 | 108.4° | 109.5° |
H40 | C27 | H41 | 109.5° | 109.5° |
C29 | C28 | H42 | 108.4° | 109.5° |
C29 | C28 | H43 | 108.4° | 109.4° |
C28 | C29 | O9 | 117.6° | 120.0° |
C28 | C29 | O10 | 118.1° | 120.0° |
H42 | C28 | H43 | 109.5° | 109.5° |
O9 | C29 | O10 | 124.2° | 120.0° |
C29 | O10 | H44 | 109.5° | 117.0° |
C30 | N10 | H45 | 118.5° | 119.5° |
N10 | C30 | C31 | 111.6° | 111.0° |
N10 | C30 | C32 | 108.6° | 109.6° |
N10 | C30 | H46 | 109.8° | 108.9° |
C30 | N10 | C26 | 123.0° | 119.3° |
H45 | N10 | C26 | 118.5° | 121.1° |
C31 | C30 | C32 | 109.8° | 110.0° |
C31 | C30 | H46 | 108.7° | 108.4° |
C30 | C31 | O11 | 120.0° | 119.2° |
C30 | C31 | N11 | 117.0° | 121.6° |
C32 | C30 | H46 | 108.4° | 108.9° |
C30 | C32 | C33 | 110.7° | 109.5° |
C30 | C32 | C34 | 110.4° | 109.5° |
C30 | C32 | H47 | 108.0° | 109.5° |
O11 | C31 | N11 | 122.9° | 119.2° |
C33 | C32 | C34 | 110.7° | 109.4° |
C33 | C32 | H47 | 108.6° | 109.4° |
C32 | C33 | H48 | 109.5° | 109.4° |
C32 | C33 | H49 | 109.5° | 109.5° |
C32 | C33 | H50 | 109.4° | 109.5° |
C34 | C32 | H47 | 108.3° | 109.5° |
C32 | C34 | H51 | 109.5° | 109.4° |
C32 | C34 | H52 | 109.5° | 109.5° |
C32 | C34 | H53 | 109.5° | 109.4° |
H48 | C33 | H49 | 109.5° | 109.5° |
H48 | C33 | H50 | 109.5° | 109.4° |
H49 | C33 | H50 | 109.5° | 109.5° |
H51 | C34 | H52 | 109.5° | 109.5° |
H51 | C34 | H53 | 109.5° | 109.5° |
H52 | C34 | H53 | 109.4° | 109.5° |
C35 | N11 | H54 | 118.8° | 119.2° |
N11 | C35 | C36 | 109.5° | 110.5° |
N11 | C35 | C37 | 108.9° | 109.4° |
N11 | C35 | H55 | 109.3° | 109.4° |
C35 | N11 | C31 | 122.5° | 120.4° |
H54 | N11 | C31 | 118.7° | 120.4° |
C36 | C35 | C37 | 111.7° | 109.2° |
C36 | C35 | H55 | 108.6° | 109.0° |
C35 | C36 | O12 | 121.4° | 120.3° |
C35 | C36 | N12 | 115.0° | 119.2° |
C37 | C35 | H55 | 108.8° | 109.4° |
C35 | C37 | C38 | 114.1° | 109.4° |
C35 | C37 | H56 | 108.3° | 109.5° |
C35 | C37 | H57 | 108.3° | 109.5° |
O12 | C36 | N12 | 123.6° | 120.5° |
C38 | C37 | H56 | 108.3° | 109.5° |
C38 | C37 | H57 | 108.3° | 109.5° |
C37 | C38 | O13 | 118.7° | 120.0° |
C37 | C38 | O14 | 120.1° | 120.0° |
H56 | C37 | H57 | 109.5° | 109.5° |
O13 | C38 | O14 | 121.1° | 120.0° |
C38 | O14 | H58 | 109.5° | 117.0° |
C39 | N12 | H59 | 118.6° | 119.5° |
N12 | C39 | C40 | 112.5° | 109.1° |
N12 | C39 | C41 | 110.1° | 109.1° |
N12 | C39 | H60 | 107.9° | 109.7° |
C39 | N12 | C36 | 122.7° | 120.5° |
H59 | N12 | C36 | 118.7° | 120.0° |
C40 | C39 | C41 | 111.5° | 109.6° |
C40 | C39 | H60 | 107.2° | 110.1° |
C39 | C40 | O15 | 120.3° | 119.0° |
C39 | C40 | N13 | 118.6° | 120.0° |
C41 | C39 | H60 | 107.4° | 109.2° |
C39 | C41 | S2 | 112.8° | 110.2° |
C39 | C41 | H61 | 108.6° | 109.5° |
C39 | C41 | H62 | 108.6° | 109.6° |
O15 | C40 | N13 | 121.1° | 121.0° |
S2 | C41 | H61 | 108.6° | 109.0° |
S2 | C41 | H62 | 108.6° | 109.2° |
C41 | S2 | C77 | 105.6° | 103.1° |
H61 | C41 | H62 | 109.4° | 109.4° |
C42 | N13 | H63 | 119.3° | 119.2° |
N13 | C42 | C43 | 113.3° | 108.6° |
N13 | C42 | C44 | 109.5° | 109.1° |
N13 | C42 | H64 | 108.2° | 107.5° |
C42 | N13 | C40 | 121.3° | 120.5° |
H63 | N13 | C40 | 119.4° | 120.2° |
C43 | C42 | C44 | 110.4° | 114.3° |
C43 | C42 | H64 | 107.6° | 108.7° |
C42 | C43 | O16 | 121.4° | 115.3° |
C42 | C43 | N17 | 116.0° | 129.7° |
C44 | C42 | H64 | 107.5° | 108.4° |
C42 | C44 | C45 | 113.0° | 109.4° |
C42 | C44 | H65 | 108.6° | 109.5° |
C42 | C44 | H66 | 108.6° | 109.4° |
O16 | C43 | N17 | 122.5° | 115.1° |
C45 | C44 | H65 | 108.6° | 109.5° |
C45 | C44 | H66 | 108.5° | 109.5° |
C44 | C45 | C46 | 109.3° | 109.4° |
C44 | C45 | H67 | 109.5° | 109.5° |
C44 | C45 | H68 | 109.5° | 109.4° |
H65 | C44 | H66 | 109.5° | 109.5° |
C46 | C45 | H67 | 109.5° | 109.5° |
C46 | C45 | H68 | 109.5° | 109.5° |
C45 | C46 | N14 | 112.8° | 109.4° |
C45 | C46 | H69 | 108.6° | 109.5° |
C45 | C46 | H70 | 108.6° | 109.5° |
H67 | C45 | H68 | 109.5° | 109.5° |
N14 | C46 | H69 | 108.6° | 109.5° |
N14 | C46 | H70 | 108.6° | 109.5° |
C46 | N14 | C47 | 125.2° | 120.0° |
C46 | N14 | H71 | 117.4° | 120.1° |
H69 | C46 | H70 | 109.5° | 109.4° |
C47 | N14 | H71 | 117.4° | 119.9° |
N14 | C47 | N15 | 119.0° | 120.0° |
N14 | C47 | N16 | 121.5° | 120.0° |
N15 | C47 | N16 | 119.4° | 119.9° |
C47 | N15 | H72 | 120.0° | 119.9° |
C47 | N15 | H73 | 120.0° | 120.0° |
C47 | N16 | H74 | 120.0° | 120.0° |
C47 | N16 | H75 | 120.0° | 120.0° |
H72 | N15 | H73 | 120.0° | 120.0° |
H74 | N16 | H75 | 120.0° | 120.0° |
C48 | N17 | H76 | 119.5° | 116.1° |
N17 | C48 | C49 | 111.7° | 110.1° |
N17 | C48 | H77 | 108.9° | 110.5° |
N17 | C48 | H78 | 108.9° | 110.2° |
C48 | N17 | C43 | 120.9° | 128.6° |
H76 | N17 | C43 | 119.6° | 115.3° |
C49 | C48 | H77 | 108.9° | 109.4° |
C49 | C48 | H78 | 108.9° | 106.4° |
C48 | C49 | O17 | 122.2° | 119.6° |
C48 | C49 | N18 | 114.5° | 120.0° |
H77 | C48 | H78 | 109.5° | 110.1° |
O17 | C49 | N18 | 123.3° | 120.4° |
C50 | N18 | H79 | 119.1° | 119.5° |
N18 | C50 | C51 | 106.7° | 107.8° |
N18 | C50 | C52 | 112.3° | 109.2° |
N18 | C50 | H80 | 108.9° | 108.1° |
C50 | N18 | C49 | 121.8° | 120.0° |
H79 | N18 | C49 | 119.1° | 120.5° |
C51 | C50 | C52 | 112.9° | 110.0° |
C51 | C50 | H80 | 108.3° | 111.7° |
C50 | C51 | O18 | 120.8° | 115.6° |
C50 | C51 | N22 | 115.0° | 128.6° |
C52 | C50 | H80 | 107.7° | 109.9° |
C50 | C52 | C53 | 114.1° | 109.5° |
C50 | C52 | H81 | 108.3° | 109.5° |
C50 | C52 | H82 | 108.3° | 109.5° |
O18 | C51 | N22 | 124.1° | 115.9° |
C53 | C52 | H81 | 108.3° | 109.4° |
C53 | C52 | H82 | 108.3° | 109.4° |
C52 | C53 | C54 | 109.1° | 109.5° |
C52 | C53 | H83 | 109.6° | 109.5° |
C52 | C53 | H84 | 109.6° | 109.5° |
H81 | C52 | H82 | 109.5° | 109.5° |
C54 | C53 | H83 | 109.6° | 109.5° |
C54 | C53 | H84 | 109.6° | 109.5° |
C53 | C54 | N19 | 112.0° | 109.5° |
C53 | C54 | H85 | 108.8° | 109.5° |
C53 | C54 | H86 | 108.8° | 109.5° |
H83 | C53 | H84 | 109.5° | 109.4° |
N19 | C54 | H85 | 108.9° | 109.5° |
N19 | C54 | H86 | 108.8° | 109.5° |
C54 | N19 | C55 | 123.8° | 120.0° |
C54 | N19 | H87 | 118.1° | 120.1° |
H85 | C54 | H86 | 109.5° | 109.4° |
C55 | N19 | H87 | 118.1° | 119.9° |
N19 | C55 | N20 | 119.5° | 120.0° |
N19 | C55 | N21 | 120.7° | 120.0° |
N20 | C55 | N21 | 119.8° | 120.0° |
C55 | N20 | H88 | 120.0° | 120.0° |
C55 | N20 | H89 | 120.0° | 120.0° |
C55 | N21 | H90 | 120.0° | 120.0° |
C55 | N21 | H91 | 120.0° | 120.0° |
H88 | N20 | H89 | 120.0° | 120.0° |
H90 | N21 | H91 | 120.0° | 120.0° |
N22 | C56 | C57 | 109.6° | 108.5° |
N22 | C56 | C58 | 109.9° | 113.0° |
C56 | N22 | H92 | 119.0° | 114.1° |
N22 | C56 | H93 | 109.3° | 108.7° |
C56 | N22 | C51 | 122.0° | 131.8° |
C57 | C56 | C58 | 112.0° | 110.7° |
C56 | C57 | O19 | 119.7° | 116.6° |
C57 | C56 | H93 | 108.4° | 107.5° |
C56 | C57 | N23 | 119.3° | 122.8° |
C56 | C58 | C59 | 109.0° | 109.5° |
C58 | C56 | H93 | 107.6° | 108.3° |
C56 | C58 | H94 | 109.6° | 109.5° |
C56 | C58 | H95 | 109.6° | 109.5° |
O19 | C57 | N23 | 121.0° | 120.7° |
C59 | C58 | H94 | 109.6° | 109.5° |
C59 | C58 | H95 | 109.6° | 109.5° |
C58 | C59 | H96 | 109.5° | 109.5° |
C58 | C59 | H97 | 109.5° | 109.5° |
C58 | C59 | H98 | 109.5° | 109.5° |
H92 | N22 | C51 | 119.0° | 114.1° |
H94 | C58 | H95 | 109.5° | 109.5° |
H96 | C59 | H97 | 109.5° | 109.4° |
H96 | C59 | H98 | 109.4° | 109.5° |
H97 | C59 | H98 | 109.5° | 109.4° |
C60 | N23 | H99 | 120.8° | 115.5° |
N23 | C60 | C61 | 110.0° | 110.5° |
N23 | C60 | C62 | 113.0° | 111.5° |
N23 | C60 | H100 | 108.2° | 107.8° |
C60 | N23 | C57 | 118.5° | 123.7° |
H99 | N23 | C57 | 120.7° | 120.7° |
C61 | C60 | C62 | 110.5° | 110.6° |
C61 | C60 | H100 | 107.5° | 108.0° |
C60 | C61 | O20 | 120.4° | 119.9° |
C60 | C61 | N24 | 114.5° | 119.7° |
C62 | C60 | H100 | 107.4° | 108.2° |
C60 | C62 | O21 | 112.6° | 109.5° |
C60 | C62 | H101 | 108.7° | 109.5° |
C60 | C62 | H102 | 108.7° | 109.5° |
O20 | C61 | N24 | 125.2° | 120.4° |
O21 | C62 | H101 | 108.7° | 109.5° |
O21 | C62 | H102 | 108.7° | 109.4° |
C62 | O21 | H103 | 109.5° | 114.0° |
H101 | C62 | H102 | 109.5° | 109.5° |
C63 | N24 | H104 | 118.2° | 119.9° |
N24 | C63 | C64 | 105.6° | 110.1° |
N24 | C63 | C65 | 111.2° | 109.8° |
N24 | C63 | H105 | 110.5° | 109.3° |
C63 | N24 | C61 | 123.6° | 120.6° |
H104 | N24 | C61 | 118.2° | 119.5° |
C64 | C63 | C65 | 110.3° | 109.7° |
C64 | C63 | H105 | 109.8° | 109.0° |
C63 | C64 | O22 | 121.2° | 118.9° |
C63 | C64 | N25 | 115.2° | 121.3° |
C65 | C63 | H105 | 109.5° | 109.0° |
C63 | C65 | H106 | 109.5° | 109.5° |
C63 | C65 | H107 | 109.5° | 109.4° |
C63 | C65 | H108 | 109.4° | 109.5° |
O22 | C64 | N25 | 123.5° | 119.8° |
H106 | C65 | H107 | 109.4° | 109.5° |
H106 | C65 | H108 | 109.5° | 109.5° |
H107 | C65 | H108 | 109.5° | 109.5° |
C66 | N25 | H109 | 119.3° | 119.3° |
N25 | C66 | C67 | 106.8° | 109.3° |
N25 | C66 | C68 | 110.8° | 109.4° |
N25 | C66 | H110 | 109.0° | 109.7° |
C66 | N25 | C64 | 121.5° | 120.2° |
H109 | N25 | C64 | 119.3° | 120.5° |
C67 | C66 | C68 | 114.2° | 109.4° |
C67 | C66 | H110 | 108.0° | 109.5° |
C66 | C67 | O23 | 121.1° | 120.0° |
C66 | C67 | N26 | 115.8° | 120.0° |
C68 | C66 | H110 | 107.9° | 109.4° |
C66 | C68 | S3 | 117.3° | 109.6° |
C66 | C68 | H111 | 107.5° | 109.1° |
C66 | C68 | H112 | 107.5° | 109.7° |
O23 | C67 | N26 | 123.0° | 120.0° |
S3 | C68 | H111 | 107.5° | 109.2° |
S3 | C68 | H112 | 107.5° | 109.7° |
C68 | S3 | C79 | 111.3° | 103.1° |
H111 | C68 | H112 | 109.5° | 109.5° |
C69 | N26 | H113 | 118.8° | 120.0° |
N26 | C69 | C70 | 111.9° | 109.5° |
N26 | C69 | H114 | 108.9° | 109.5° |
N26 | C69 | H115 | 108.9° | 109.5° |
C69 | N26 | C67 | 122.4° | 120.0° |
H113 | N26 | C67 | 118.8° | 120.0° |
C70 | C69 | H114 | 108.9° | 109.5° |
C70 | C69 | H115 | 108.9° | 109.4° |
C69 | C70 | O24 | 120.5° | 120.0° |
C69 | C70 | N27 | 116.9° | 120.0° |
H114 | C69 | H115 | 109.5° | 109.4° |
O24 | C70 | N27 | 122.6° | 120.0° |
H116 | N27 | H117 | 120.0° | 120.1° |
H116 | N27 | C70 | 120.0° | 120.0° |
H117 | N27 | C70 | 120.0° | 120.0° |
C72 | C71 | C76 | 119.6° | 120.1° |
C72 | C71 | C77 | 118.6° | 120.4° |
C71 | C72 | C73 | 119.4° | 119.8° |
C71 | C72 | H118 | 120.3° | 120.1° |
C76 | C71 | C77 | 121.8° | 119.4° |
C71 | C76 | C75 | 120.5° | 119.7° |
C71 | C76 | H120 | 119.8° | 120.1° |
C71 | C77 | H121 | 108.7° | 109.3° |
C71 | C77 | H122 | 108.7° | 109.4° |
C71 | C77 | S2 | 112.4° | 110.4° |
C72 | C73 | C74 | 120.4° | 120.2° |
C72 | C73 | C78 | 121.3° | 120.2° |
C73 | C72 | H118 | 120.3° | 120.1° |
C74 | C73 | C78 | 118.2° | 119.6° |
C73 | C74 | C75 | 120.8° | 119.8° |
C73 | C74 | H119 | 119.6° | 120.1° |
C73 | C78 | H123 | 111.2° | 109.6° |
C73 | C78 | H124 | 111.1° | 109.4° |
C73 | C78 | S1 | 102.7° | 109.4° |
C74 | C75 | C76 | 119.3° | 120.3° |
C74 | C75 | C79 | 117.1° | 120.1° |
C75 | C74 | H119 | 119.6° | 120.1° |
C76 | C75 | C79 | 123.7° | 119.6° |
C75 | C76 | H120 | 119.7° | 120.2° |
C75 | C79 | H125 | 107.2° | 109.5° |
C75 | C79 | H126 | 107.2° | 109.6° |
C75 | C79 | S3 | 118.5° | 109.2° |
H121 | C77 | H122 | 109.5° | 109.0° |
H121 | C77 | S2 | 108.8° | 109.4° |
H122 | C77 | S2 | 108.7° | 109.3° |
H123 | C78 | H124 | 109.4° | 109.3° |
H123 | C78 | S1 | 111.1° | 109.6° |
H124 | C78 | S1 | 111.2° | 109.5° |
H125 | C79 | H126 | 109.5° | 109.5° |
H125 | C79 | S3 | 107.2° | 109.5° |
H126 | C79 | S3 | 107.2° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C1 | N1 | H1 | H2 | 120.0° | 123.9° |
N1 | C1 | C2 | C3 | 123.9° | 120.0° |
N1 | C1 | C2 | H3 | 118.5° | 120.0° |
N1 | C1 | C3 | H3 | 117.6° | 120.0° |
N1 | C1 | C2 | O1 | 19.3° | 0.0° |
N1 | C1 | C3 | H4 | 180.0° | 60.0° |
N1 | C1 | C3 | H5 | 60.0° | 180.0° |
N1 | C1 | C3 | H6 | 60.0° | 60.0° |
N1 | C1 | C2 | N2 | 160.3° | 180.0° |
H1 | N1 | C1 | C2 | 180.0° | 56.1° |
H1 | N1 | C1 | C3 | 55.6° | 63.9° |
H1 | N1 | C1 | H3 | 61.8° | 176.1° |
H2 | N1 | C1 | C2 | 60.0° | 180.0° |
H2 | N1 | C1 | C3 | 175.6° | 60.0° |
H2 | N1 | C1 | H3 | 58.2° | 59.9° |
C2 | C1 | C3 | H3 | 117.5° | 120.0° |
C1 | C2 | O1 | N2 | 179.6° | 180.0° |
C2 | C1 | C3 | H4 | 55.2° | 60.0° |
C2 | C1 | C3 | H5 | 175.2° | 60.0° |
C2 | C1 | C3 | H6 | 64.8° | 180.0° |
C1 | C2 | N2 | C4 | 177.3° | 180.0° |
C1 | C2 | N2 | H7 | 2.7° | 0.0° |
C3 | C1 | C2 | O1 | 104.6° | 120.0° |
C1 | C3 | H4 | H5 | 120.0° | 120.0° |
C1 | C3 | H4 | H6 | 120.0° | 120.0° |
C1 | C3 | H5 | H6 | 120.0° | 120.0° |
C3 | C1 | C2 | N2 | 75.8° | 60.0° |
H3 | C1 | C2 | O1 | 137.8° | 120.0° |
H3 | C1 | C3 | H4 | 62.4° | 180.0° |
H3 | C1 | C3 | H5 | 57.7° | 60.0° |
H3 | C1 | C3 | H6 | 177.6° | 59.9° |
H3 | C1 | C2 | N2 | 41.8° | 60.0° |
O1 | C2 | N2 | C4 | 2.3° | 0.1° |
O1 | C2 | N2 | H7 | 177.7° | 180.0° |
H4 | C3 | H5 | H6 | 119.9° | 120.0° |
C4 | N2 | H7 | C2 | 180.0° | 179.9° |
N2 | C4 | C5 | C6 | 125.1° | 120.7° |
N2 | C4 | C5 | H8 | 116.6° | 119.7° |
N2 | C4 | C6 | H8 | 115.7° | 119.7° |
N2 | C4 | C5 | O2 | 52.0° | 144.8° |
N2 | C4 | C6 | S1 | 102.6° | 10.6° |
N2 | C4 | C6 | H9 | 135.2° | 109.5° |
N2 | C4 | C6 | H10 | 19.6° | 130.6° |
N2 | C4 | C5 | N3 | 126.6° | 35.4° |
H7 | N2 | C4 | C5 | 34.9° | 95.0° |
H7 | N2 | C4 | C6 | 93.9° | 25.6° |
H7 | N2 | C4 | H8 | 150.9° | 145.3° |
C5 | C4 | C6 | H8 | 118.4° | 119.5° |
C4 | C5 | O2 | N3 | 178.6° | 179.8° |
C5 | C4 | C6 | S1 | 23.3° | 131.4° |
C5 | C4 | C6 | H9 | 98.9° | 11.4° |
C5 | C4 | C6 | H10 | 145.5° | 108.5° |
C4 | C5 | N3 | C7 | 165.5° | 176.0° |
C4 | C5 | N3 | H11 | 14.5° | 3.9° |
C5 | C4 | N2 | C2 | 145.1° | 85.0° |
C6 | C4 | C5 | O2 | 73.0° | 94.5° |
C4 | C6 | S1 | H9 | 122.2° | 120.2° |
C4 | C6 | S1 | H10 | 122.2° | 120.0° |
C4 | C6 | H9 | H10 | 112.5° | 119.9° |
C6 | C4 | N2 | C2 | 86.1° | 154.3° |
C6 | C4 | C5 | N3 | 108.3° | 85.3° |
C4 | C6 | S1 | C78 | 4.2° | 162.1° |
H8 | C4 | C5 | O2 | 168.6° | 25.1° |
H8 | C4 | C6 | S1 | 141.7° | 109.1° |
H8 | C4 | C6 | H9 | 19.4° | 130.9° |
H8 | C4 | C6 | H10 | 96.1° | 11.0° |
H8 | C4 | N2 | C2 | 29.0° | 34.7° |
H8 | C4 | C5 | N3 | 10.0° | 155.1° |
O2 | C5 | N3 | C7 | 13.2° | 3.8° |
O2 | C5 | N3 | H11 | 166.8° | 176.3° |
S1 | C6 | H9 | H10 | 112.5° | 119.8° |
C6 | S1 | C78 | C73 | 154.6° | 162.7° |
C6 | S1 | C78 | H123 | 35.7° | 77.2° |
C6 | S1 | C78 | H124 | 86.5° | 42.7° |
H9 | C6 | S1 | C78 | 126.5° | 41.9° |
H10 | C6 | S1 | C78 | 118.0° | 77.9° |
C7 | N3 | H11 | C5 | 180.0° | 179.9° |
N3 | C7 | C8 | C9 | 127.6° | 119.7° |
N3 | C7 | C8 | H12 | 118.0° | 120.2° |
N3 | C7 | C9 | H12 | 114.4° | 119.7° |
N3 | C7 | C8 | O3 | 19.3° | 8.9° |
N3 | C7 | C9 | O4 | 68.6° | 65.0° |
N3 | C7 | C9 | H13 | 170.8° | 55.0° |
N3 | C7 | C9 | H14 | 51.9° | 174.9° |
N3 | C7 | C8 | N4 | 164.9° | 171.7° |
H11 | N3 | C7 | C8 | 69.4° | 29.4° |
H11 | N3 | C7 | C9 | 59.0° | 90.6° |
H11 | N3 | C7 | H12 | 173.0° | 149.7° |
C8 | C7 | C9 | H12 | 114.4° | 120.1° |
C7 | C8 | O3 | N4 | 175.5° | 179.4° |
C8 | C7 | C9 | O4 | 62.6° | 174.9° |
C8 | C7 | C9 | H13 | 58.0° | 65.2° |
C8 | C7 | C9 | H14 | 176.9° | 54.8° |
C7 | C8 | N4 | C10 | 175.5° | 174.8° |
C7 | C8 | N4 | H16 | 4.5° | 5.6° |
C8 | C7 | N3 | C5 | 110.6° | 150.7° |
C9 | C7 | C8 | O3 | 146.9° | 128.6° |
C7 | C9 | O4 | H13 | 120.6° | 120.0° |
C7 | C9 | O4 | H14 | 120.5° | 120.0° |
C7 | C9 | H13 | H14 | 118.3° | 120.0° |
C7 | C9 | O4 | H15 | 180.0° | 180.0° |
C9 | C7 | N3 | C5 | 120.9° | 89.3° |
C9 | C7 | C8 | N4 | 37.3° | 52.0° |
H12 | C7 | C8 | O3 | 98.7° | 111.3° |
H12 | C7 | C9 | O4 | 177.0° | 54.8° |
H12 | C7 | C9 | H13 | 56.4° | 174.7° |
H12 | C7 | C9 | H14 | 62.5° | 65.3° |
H12 | C7 | N3 | C5 | 7.0° | 30.4° |
H12 | C7 | C8 | N4 | 77.1° | 68.0° |
O3 | C8 | N4 | C10 | 8.7° | 5.8° |
O3 | C8 | N4 | H16 | 171.3° | 173.7° |
O4 | C9 | H13 | H14 | 118.3° | 120.1° |
H13 | C9 | O4 | H15 | 59.4° | 60.0° |
H14 | C9 | O4 | H15 | 59.4° | 60.0° |
C10 | N4 | H16 | C8 | 180.0° | 179.6° |
N4 | C10 | C11 | C12 | 120.8° | 119.6° |
N4 | C10 | C11 | H17 | 121.3° | 120.5° |
N4 | C10 | C12 | H17 | 119.9° | 120.8° |
N4 | C10 | C11 | O5 | 176.3° | 41.3° |
N4 | C10 | C12 | C13 | 64.2° | 65.0° |
N4 | C10 | C12 | H18 | 175.0° | 54.9° |
N4 | C10 | C12 | H19 | 56.5° | 174.9° |
N4 | C10 | C11 | N8 | 5.6° | 138.4° |
H16 | N4 | C10 | C11 | 94.4° | 62.9° |
H16 | N4 | C10 | C12 | 25.5° | 56.5° |
H16 | N4 | C10 | H17 | 144.8° | 177.1° |
C11 | C10 | C12 | H17 | 118.0° | 119.7° |
C10 | C11 | O5 | N8 | 177.9° | 179.6° |
C11 | C10 | C12 | C13 | 57.9° | 175.5° |
C11 | C10 | C12 | H18 | 62.9° | 64.5° |
C11 | C10 | C12 | H19 | 178.7° | 55.5° |
C10 | C11 | N8 | C16 | 177.1° | 179.4° |
C10 | C11 | N8 | H29 | 2.9° | 0.6° |
C11 | C10 | N4 | C8 | 85.6° | 117.5° |
C12 | C10 | C11 | O5 | 62.9° | 78.4° |
C10 | C12 | C13 | H18 | 120.7° | 120.0° |
C10 | C12 | C13 | H19 | 120.7° | 120.0° |
C10 | C12 | H18 | H19 | 117.6° | 120.0° |
C10 | C12 | C13 | C14 | 127.6° | 180.0° |
C10 | C12 | C13 | H20 | 6.9° | 60.0° |
C10 | C12 | C13 | H21 | 111.7° | 60.0° |
C12 | C10 | N4 | C8 | 154.5° | 123.1° |
C12 | C10 | C11 | N8 | 115.1° | 102.0° |
H17 | C10 | C11 | O5 | 55.1° | 161.7° |
H17 | C10 | C12 | C13 | 175.9° | 55.8° |
H17 | C10 | C12 | H18 | 55.1° | 175.8° |
H17 | C10 | C12 | H19 | 63.3° | 64.2° |
H17 | C10 | N4 | C8 | 35.2° | 2.5° |
H17 | C10 | C11 | N8 | 126.9° | 17.9° |
O5 | C11 | N8 | C16 | 4.9° | 1.0° |
O5 | C11 | N8 | H29 | 175.1° | 179.0° |
C13 | C12 | H18 | H19 | 117.7° | 120.0° |
C12 | C13 | C14 | H20 | 120.7° | 120.0° |
C12 | C13 | C14 | H21 | 120.7° | 120.0° |
C12 | C13 | H20 | H21 | 117.8° | 120.1° |
C12 | C13 | C14 | N5 | 148.8° | 180.0° |
C12 | C13 | C14 | H22 | 90.6° | 60.0° |
C12 | C13 | C14 | H23 | 28.2° | 60.0° |
H18 | C12 | C13 | C14 | 111.7° | 60.0° |
H18 | C12 | C13 | H20 | 127.6° | 180.0° |
H18 | C12 | C13 | H21 | 9.1° | 60.0° |
H19 | C12 | C13 | C14 | 6.9° | 60.0° |
H19 | C12 | C13 | H20 | 113.8° | 60.0° |
H19 | C12 | C13 | H21 | 127.6° | 180.0° |
C14 | C13 | H20 | H21 | 117.8° | 119.9° |
C13 | C14 | N5 | H22 | 120.6° | 120.0° |
C13 | C14 | N5 | H23 | 120.6° | 120.0° |
C13 | C14 | H22 | H23 | 118.3° | 119.9° |
C13 | C14 | N5 | C15 | 94.1° | 180.0° |
C13 | C14 | N5 | H24 | 85.9° | 0.0° |
H20 | C13 | C14 | N5 | 28.1° | 60.0° |
H20 | C13 | C14 | H22 | 148.6° | 180.0° |
H20 | C13 | C14 | H23 | 92.5° | 60.1° |
H21 | C13 | C14 | N5 | 90.5° | 60.0° |
H21 | C13 | C14 | H22 | 30.1° | 60.1° |
H21 | C13 | C14 | H23 | 148.9° | 180.0° |
N5 | C14 | H22 | H23 | 118.2° | 120.1° |
C14 | N5 | C15 | H24 | 180.0° | 180.0° |
C14 | N5 | C15 | N6 | 0.3° | 0.1° |
C14 | N5 | C15 | N7 | 179.9° | 180.0° |
H22 | C14 | N5 | C15 | 145.3° | 60.0° |
H22 | C14 | N5 | H24 | 34.7° | 120.0° |
H23 | C14 | N5 | C15 | 26.5° | 60.0° |
H23 | C14 | N5 | H24 | 153.5° | 120.0° |
N5 | C15 | N6 | N7 | 179.6° | 179.9° |
N5 | C15 | N6 | H25 | 179.6° | 0.1° |
N5 | C15 | N6 | H26 | 0.4° | 180.0° |
N5 | C15 | N7 | H27 | 179.6° | 0.0° |
N5 | C15 | N7 | H28 | 0.4° | 179.9° |
H24 | N5 | C15 | N6 | 179.8° | 179.9° |
H24 | N5 | C15 | N7 | 0.2° | 0.0° |
C15 | N6 | H25 | H26 | 180.0° | 179.9° |
N6 | C15 | N7 | H27 | 0.0° | 179.9° |
N6 | C15 | N7 | H28 | 180.0° | 0.0° |
N7 | C15 | N6 | H25 | 0.0° | 180.0° |
N7 | C15 | N6 | H26 | 180.0° | 0.1° |
C15 | N7 | H27 | H28 | 180.0° | 180.0° |
C16 | N8 | H29 | C11 | 180.0° | 180.0° |
N8 | C16 | C17 | C18 | 121.2° | 122.5° |
N8 | C16 | C17 | H30 | 120.5° | 118.9° |
N8 | C16 | C18 | H30 | 120.2° | 119.0° |
N8 | C16 | C17 | O6 | 174.8° | 55.8° |
N8 | C16 | C18 | C19 | 65.3° | 65.0° |
N8 | C16 | C18 | H31 | 55.0° | 55.0° |
N8 | C16 | C18 | H32 | 174.4° | 175.0° |
N8 | C16 | C17 | N9 | 5.1° | 124.5° |
H29 | N8 | C16 | C17 | 85.5° | 117.0° |
H29 | N8 | C16 | C18 | 35.0° | 120.9° |
H29 | N8 | C16 | H30 | 154.5° | 2.0° |
C17 | C16 | C18 | H30 | 118.5° | 118.7° |
C16 | C17 | O6 | N9 | 179.9° | 179.8° |
C17 | C16 | C18 | C19 | 173.4° | 172.7° |
C17 | C16 | C18 | H31 | 66.3° | 67.3° |
C17 | C16 | C18 | H32 | 53.0° | 52.7° |
C16 | C17 | N9 | C25 | 170.9° | 176.9° |
C16 | C17 | N9 | H38 | 9.2° | 3.5° |
C17 | C16 | N8 | C11 | 94.5° | 63.0° |
C18 | C16 | C17 | O6 | 53.6° | 66.7° |
C16 | C18 | C19 | H31 | 120.3° | 120.0° |
C16 | C18 | C19 | H32 | 120.3° | 120.0° |
C16 | C18 | H31 | H32 | 119.0° | 120.1° |
C16 | C18 | C19 | C20 | 74.8° | 90.0° |
C16 | C18 | C19 | C21 | 104.0° | 90.2° |
C18 | C16 | N8 | C11 | 145.0° | 59.1° |
C18 | C16 | C17 | N9 | 126.3° | 113.1° |
H30 | C16 | C17 | O6 | 64.7° | 174.7° |
H30 | C16 | C18 | C19 | 54.9° | 54.0° |
H30 | C16 | C18 | H31 | 175.2° | 174.0° |
H30 | C16 | C18 | H32 | 65.5° | 66.0° |
H30 | C16 | N8 | C11 | 25.5° | 178.1° |
H30 | C16 | C17 | N9 | 115.4° | 5.6° |
O6 | C17 | N9 | C25 | 9.0° | 3.3° |
O6 | C17 | N9 | H38 | 170.9° | 176.3° |
C19 | C18 | H31 | H32 | 119.0° | 119.9° |
C18 | C19 | C20 | C21 | 178.9° | 179.8° |
C18 | C19 | C20 | C22 | 178.6° | 179.9° |
C18 | C19 | C20 | H33 | 1.4° | 0.0° |
C18 | C19 | C21 | C23 | 178.9° | 180.0° |
C18 | C19 | C21 | H34 | 1.2° | 0.1° |
H31 | C18 | C19 | C20 | 164.9° | 30.0° |
H31 | C18 | C19 | C21 | 16.3° | 149.8° |
H32 | C18 | C19 | C20 | 45.5° | 150.0° |
H32 | C18 | C19 | C21 | 135.7° | 29.8° |
C19 | C20 | C22 | H33 | 180.0° | 179.9° |
C20 | C19 | C21 | C23 | 0.0° | 0.2° |
C20 | C19 | C21 | H34 | 180.0° | 179.7° |
C19 | C20 | C22 | C24 | 0.2° | 0.0° |
C19 | C20 | C22 | H35 | 179.8° | 180.0° |
C21 | C19 | C20 | C22 | 0.3° | 0.2° |
C21 | C19 | C20 | H33 | 179.7° | 179.8° |
C19 | C21 | C23 | H34 | 180.0° | 179.9° |
C19 | C21 | C23 | C24 | 0.4° | 0.0° |
C19 | C21 | C23 | H36 | 179.6° | 179.9° |
C20 | C22 | C24 | H35 | 180.0° | 179.9° |
C20 | C22 | C24 | C23 | 0.3° | 0.2° |
C20 | C22 | C24 | O7 | 179.4° | 180.0° |
H33 | C20 | C22 | C24 | 179.8° | 180.0° |
H33 | C20 | C22 | H35 | 0.2° | 0.1° |
C21 | C23 | C24 | C22 | 0.6° | 0.2° |
C21 | C23 | C24 | H36 | 180.0° | 179.9° |
C21 | C23 | C24 | O7 | 179.7° | 179.9° |
H34 | C21 | C23 | C24 | 179.6° | 180.0° |
H34 | C21 | C23 | H36 | 0.4° | 0.1° |
C22 | C24 | C23 | O7 | 179.1° | 179.8° |
C22 | C24 | C23 | H36 | 179.4° | 179.7° |
C22 | C24 | O7 | H37 | 180.0° | 90.1° |
H35 | C22 | C24 | C23 | 179.7° | 179.7° |
H35 | C22 | C24 | O7 | 0.6° | 0.1° |
C23 | C24 | O7 | H37 | 0.8° | 89.8° |
H36 | C23 | C24 | O7 | 0.3° | 0.2° |
C25 | N9 | H38 | C17 | 180.0° | 179.6° |
N9 | C25 | C26 | C27 | 123.1° | 119.9° |
N9 | C25 | C26 | H39 | 119.3° | 119.8° |
N9 | C25 | C27 | H39 | 120.7° | 119.7° |
N9 | C25 | C26 | O8 | 45.7° | 12.1° |
N9 | C25 | C27 | C28 | 168.3° | 65.0° |
N9 | C25 | C27 | H40 | 71.6° | 55.0° |
N9 | C25 | C27 | H41 | 48.2° | 175.0° |
N9 | C25 | C26 | N10 | 135.5° | 168.1° |
H38 | N9 | C25 | C26 | 95.8° | 27.5° |
H38 | N9 | C25 | C27 | 25.7° | 92.8° |
H38 | N9 | C25 | H39 | 145.7° | 147.3° |
C26 | C25 | C27 | H39 | 117.5° | 120.1° |
C25 | C26 | O8 | N10 | 178.8° | 179.8° |
C26 | C25 | C27 | C28 | 46.5° | 174.8° |
C26 | C25 | C27 | H40 | 166.6° | 65.2° |
C26 | C25 | C27 | H41 | 73.6° | 54.8° |
C25 | C26 | N10 | C30 | 175.3° | 176.8° |
C25 | C26 | N10 | H45 | 4.7° | 3.9° |
C26 | C25 | N9 | C17 | 84.2° | 152.2° |
C27 | C25 | C26 | O8 | 77.4° | 132.0° |
C25 | C27 | C28 | H40 | 120.1° | 120.0° |
C25 | C27 | C28 | H41 | 120.2° | 120.0° |
C25 | C27 | H40 | H41 | 119.6° | 120.0° |
C25 | C27 | C28 | C29 | 144.5° | 180.0° |
C25 | C27 | C28 | H42 | 94.9° | 60.0° |
C25 | C27 | C28 | H43 | 23.8° | 60.0° |
C27 | C25 | N9 | C17 | 154.3° | 87.5° |
C27 | C25 | C26 | N10 | 101.5° | 48.2° |
H39 | C25 | C26 | O8 | 165.0° | 107.7° |
H39 | C25 | C27 | C28 | 71.0° | 54.7° |
H39 | C25 | C27 | H40 | 49.1° | 174.7° |
H39 | C25 | C27 | H41 | 168.9° | 65.3° |
H39 | C25 | N9 | C17 | 34.3° | 32.4° |
H39 | C25 | C26 | N10 | 16.1° | 72.2° |
O8 | C26 | N10 | C30 | 3.5° | 3.4° |
O8 | C26 | N10 | H45 | 176.5° | 175.9° |
C28 | C27 | H40 | H41 | 119.5° | 120.1° |
C27 | C28 | C29 | H42 | 120.6° | 120.0° |
C27 | C28 | C29 | H43 | 120.6° | 120.0° |
C27 | C28 | H42 | H43 | 118.0° | 120.0° |
C27 | C28 | C29 | O9 | 74.0° | 0.0° |
C27 | C28 | C29 | O10 | 107.7° | 180.0° |
H40 | C27 | C28 | C29 | 24.3° | 60.0° |
H40 | C27 | C28 | H42 | 145.0° | 180.0° |
H40 | C27 | C28 | H43 | 96.3° | 59.9° |
H41 | C27 | C28 | C29 | 95.4° | 60.0° |
H41 | C27 | C28 | H42 | 25.3° | 60.0° |
H41 | C27 | C28 | H43 | 144.0° | 180.0° |
C29 | C28 | H42 | H43 | 118.1° | 120.0° |
C28 | C29 | O9 | O10 | 178.3° | 179.9° |
C28 | C29 | O10 | H44 | 178.3° | 180.0° |
H42 | C28 | C29 | O9 | 46.7° | 120.0° |
H42 | C28 | C29 | O10 | 131.7° | 59.9° |
H43 | C28 | C29 | O9 | 165.4° | 120.0° |
H43 | C28 | C29 | O10 | 13.0° | 60.1° |
O9 | C29 | O10 | H44 | 0.0° | 0.1° |
C30 | N10 | H45 | C26 | 180.0° | 179.4° |
N10 | C30 | C31 | C32 | 120.4° | 121.5° |
N10 | C30 | C31 | H46 | 121.2° | 119.5° |
N10 | C30 | C32 | H46 | 119.2° | 119.0° |
N10 | C30 | C31 | O11 | 53.1° | 106.8° |
N10 | C30 | C32 | C33 | 179.5° | 180.0° |
N10 | C30 | C32 | C34 | 56.5° | 60.0° |
N10 | C30 | C32 | H47 | 61.7° | 60.0° |
N10 | C30 | C31 | N11 | 130.0° | 72.9° |
H45 | N10 | C30 | C31 | 109.7° | 53.4° |
H45 | N10 | C30 | C32 | 11.4° | 68.4° |
H45 | N10 | C30 | H46 | 129.7° | 172.6° |
C31 | C30 | C32 | H46 | 118.6° | 118.7° |
C30 | C31 | O11 | N11 | 176.7° | 179.7° |
C31 | C30 | C32 | C33 | 58.3° | 57.7° |
C31 | C30 | C32 | C34 | 178.8° | 177.7° |
C31 | C30 | C32 | H47 | 60.5° | 62.3° |
C30 | C31 | N11 | C35 | 169.9° | 171.5° |
C30 | C31 | N11 | H54 | 10.1° | 8.9° |
C31 | C30 | N10 | C26 | 70.3° | 127.3° |
C32 | C30 | C31 | O11 | 67.3° | 131.7° |
C30 | C32 | C33 | C34 | 122.8° | 120.1° |
C30 | C32 | C33 | H47 | 118.4° | 120.0° |
C30 | C32 | C34 | H47 | 118.0° | 120.0° |
C30 | C32 | C33 | H48 | 180.0° | 60.0° |
C30 | C32 | C33 | H49 | 60.0° | 180.0° |
C30 | C32 | C33 | H50 | 60.0° | 59.9° |
C30 | C32 | C34 | H51 | 180.0° | 60.0° |
C30 | C32 | C34 | H52 | 60.0° | 180.0° |
C30 | C32 | C34 | H53 | 60.0° | 60.0° |
C32 | C30 | N10 | C26 | 168.6° | 111.0° |
C32 | C30 | C31 | N11 | 109.6° | 48.6° |
H46 | C30 | C31 | O11 | 174.3° | 12.7° |
H46 | C30 | C32 | C33 | 60.3° | 61.0° |
H46 | C30 | C32 | C34 | 62.7° | 59.0° |
H46 | C30 | C32 | H47 | 179.1° | 179.1° |
H46 | C30 | N10 | C26 | 50.3° | 8.0° |
H46 | C30 | C31 | N11 | 8.8° | 167.6° |
O11 | C31 | N11 | C35 | 7.0° | 8.8° |
O11 | C31 | N11 | H54 | 173.0° | 170.8° |
C33 | C32 | C34 | H47 | 119.0° | 119.9° |
C32 | C33 | H48 | H49 | 120.0° | 120.0° |
C32 | C33 | H48 | H50 | 120.0° | 120.0° |
C32 | C33 | H49 | H50 | 120.0° | 120.1° |
C33 | C32 | C34 | H51 | 57.0° | 180.0° |
C33 | C32 | C34 | H52 | 63.0° | 59.9° |
C33 | C32 | C34 | H53 | 177.0° | 60.1° |
C34 | C32 | C33 | H48 | 57.2° | 60.1° |
C34 | C32 | C33 | H49 | 177.3° | 59.9° |
C34 | C32 | C33 | H50 | 62.8° | 180.0° |
C32 | C34 | H51 | H52 | 120.0° | 120.0° |
C32 | C34 | H51 | H53 | 120.1° | 119.9° |
C32 | C34 | H52 | H53 | 120.0° | 120.0° |
H47 | C32 | C33 | H48 | 61.6° | 180.0° |
H47 | C32 | C33 | H49 | 58.5° | 60.0° |
H47 | C32 | C33 | H50 | 178.4° | 60.1° |
H47 | C32 | C34 | H51 | 62.0° | 60.1° |
H47 | C32 | C34 | H52 | 178.0° | 60.0° |
H47 | C32 | C34 | H53 | 58.1° | 180.0° |
H48 | C33 | H49 | H50 | 120.0° | 119.9° |
H51 | C34 | H52 | H53 | 119.9° | 120.0° |
C35 | N11 | H54 | C31 | 180.0° | 179.6° |
N11 | C35 | C36 | C37 | 120.8° | 120.4° |
N11 | C35 | C36 | H55 | 119.3° | 120.2° |
N11 | C35 | C37 | H55 | 119.1° | 119.8° |
N11 | C35 | C36 | O12 | 116.6° | 56.1° |
N11 | C35 | C37 | C38 | 179.7° | 65.0° |
N11 | C35 | C37 | H56 | 59.0° | 55.0° |
N11 | C35 | C37 | H57 | 59.6° | 175.0° |
N11 | C35 | C36 | N12 | 62.6° | 123.9° |
H54 | N11 | C35 | C36 | 138.9° | 47.3° |
H54 | N11 | C35 | C37 | 98.7° | 72.9° |
H54 | N11 | C35 | H55 | 20.1° | 167.2° |
C36 | C35 | C37 | H55 | 119.8° | 119.2° |
C35 | C36 | O12 | N12 | 179.2° | 180.0° |
C36 | C35 | C37 | C38 | 59.2° | 174.0° |
C36 | C35 | C37 | H56 | 179.9° | 66.1° |
C36 | C35 | C37 | H57 | 61.5° | 54.0° |
C35 | C36 | N12 | C39 | 168.6° | 173.5° |
C35 | C36 | N12 | H59 | 11.4° | 6.4° |
C36 | C35 | N11 | C31 | 41.1° | 132.2° |
C37 | C35 | C36 | O12 | 4.1° | 64.3° |
C35 | C37 | C38 | H56 | 120.7° | 120.0° |
C35 | C37 | C38 | H57 | 120.7° | 120.0° |
C35 | C37 | H56 | H57 | 117.9° | 120.0° |
C35 | C37 | C38 | O13 | 19.9° | 0.0° |
C35 | C37 | C38 | O14 | 162.2° | 180.0° |
C37 | C35 | N11 | C31 | 81.3° | 107.5° |
C37 | C35 | C36 | N12 | 176.6° | 115.7° |
H55 | C35 | C36 | O12 | 124.1° | 176.3° |
H55 | C35 | C37 | C38 | 60.6° | 54.8° |
H55 | C35 | C37 | H56 | 60.1° | 174.8° |
H55 | C35 | C37 | H57 | 178.7° | 65.2° |
H55 | C35 | N11 | C31 | 159.9° | 12.3° |
H55 | C35 | C36 | N12 | 56.7° | 3.7° |
O12 | C36 | N12 | C39 | 10.7° | 6.4° |
O12 | C36 | N12 | H59 | 169.3° | 173.6° |
C38 | C37 | H56 | H57 | 117.9° | 120.0° |
C37 | C38 | O13 | O14 | 177.9° | 179.9° |
C37 | C38 | O14 | H58 | 177.8° | 180.0° |
H56 | C37 | C38 | O13 | 100.8° | 120.0° |
H56 | C37 | C38 | O14 | 77.1° | 60.0° |
H57 | C37 | C38 | O13 | 140.6° | 120.0° |
H57 | C37 | C38 | O14 | 41.5° | 59.9° |
O13 | C38 | O14 | H58 | 0.0° | 0.1° |
C39 | N12 | H59 | C36 | 180.0° | 179.9° |
N12 | C39 | C40 | C41 | 124.2° | 119.4° |
N12 | C39 | C40 | H60 | 118.5° | 120.4° |
N12 | C39 | C41 | H60 | 117.3° | 119.9° |
N12 | C39 | C40 | O15 | 159.8° | 110.3° |
N12 | C39 | C41 | S2 | 72.9° | 144.1° |
N12 | C39 | C41 | H61 | 166.6° | 24.3° |
N12 | C39 | C41 | H62 | 47.6° | 95.7° |
N12 | C39 | C40 | N13 | 17.3° | 69.1° |
H59 | N12 | C39 | C40 | 112.3° | 68.1° |
H59 | N12 | C39 | C41 | 12.8° | 51.6° |
H59 | N12 | C39 | H60 | 129.7° | 171.2° |
C40 | C39 | C41 | H60 | 117.2° | 120.7° |
C39 | C40 | O15 | N13 | 177.0° | 179.5° |
C40 | C39 | C41 | S2 | 52.7° | 96.4° |
C40 | C39 | C41 | H61 | 67.8° | 143.7° |
C40 | C39 | C41 | H62 | 173.2° | 23.7° |
C39 | C40 | N13 | C42 | 173.5° | 178.7° |
C39 | C40 | N13 | H63 | 6.6° | 0.8° |
C40 | C39 | N12 | C36 | 67.7° | 111.8° |
C41 | C39 | C40 | O15 | 76.0° | 130.2° |
C39 | C41 | S2 | H61 | 120.5° | 120.1° |
C39 | C41 | S2 | H62 | 120.5° | 120.4° |
C39 | C41 | H61 | H62 | 118.4° | 120.1° |
C41 | C39 | N12 | C36 | 167.2° | 128.5° |
C41 | C39 | C40 | N13 | 106.9° | 50.3° |
C39 | C41 | S2 | C77 | 160.3° | 153.7° |
H60 | C39 | C40 | O15 | 41.3° | 10.1° |
H60 | C39 | C41 | S2 | 169.9° | 24.3° |
H60 | C39 | C41 | H61 | 49.3° | 95.6° |
H60 | C39 | C41 | H62 | 69.6° | 144.4° |
H60 | C39 | N12 | C36 | 50.3° | 8.9° |
H60 | C39 | C40 | N13 | 135.8° | 170.4° |
O15 | C40 | N13 | C42 | 3.6° | 0.8° |
O15 | C40 | N13 | H63 | 176.4° | 179.7° |
S2 | C41 | H61 | H62 | 118.5° | 119.3° |
C41 | S2 | C77 | C71 | 62.8° | 156.6° |
C41 | S2 | C77 | H121 | 176.7° | 36.2° |
C41 | S2 | C77 | H122 | 57.6° | 83.1° |
H61 | C41 | S2 | C77 | 39.8° | 86.2° |
H62 | C41 | S2 | C77 | 79.2° | 33.3° |
C42 | N13 | H63 | C40 | 180.0° | 179.5° |
N13 | C42 | C43 | C44 | 123.3° | 122.1° |
N13 | C42 | C43 | H64 | 119.6° | 116.7° |
N13 | C42 | C44 | H64 | 117.4° | 116.8° |
N13 | C42 | C43 | O16 | 157.0° | 52.1° |
N13 | C42 | C44 | C45 | 62.2° | 61.6° |
N13 | C42 | C44 | H65 | 58.4° | 58.4° |
N13 | C42 | C44 | H66 | 177.3° | 178.4° |
N13 | C42 | C43 | N17 | 25.5° | 127.7° |
H63 | N13 | C42 | C43 | 68.7° | 13.4° |
H63 | N13 | C42 | C44 | 55.1° | 111.8° |
H63 | N13 | C42 | H64 | 172.0° | 130.8° |
C43 | C42 | C44 | H64 | 117.2° | 121.4° |
C42 | C43 | O16 | N17 | 177.3° | 179.8° |
C43 | C42 | C44 | C45 | 172.3° | 176.6° |
C43 | C42 | C44 | H65 | 67.1° | 63.4° |
C43 | C42 | C44 | H66 | 51.8° | 56.6° |
C42 | C43 | N17 | C48 | 178.6° | 0.8° |
C42 | C43 | N17 | H76 | 1.4° | 179.4° |
C43 | C42 | N13 | C40 | 111.3° | 166.1° |
C44 | C42 | C43 | O16 | 33.7° | 174.2° |
C42 | C44 | C45 | H65 | 120.5° | 120.0° |
C42 | C44 | C45 | H66 | 120.5° | 119.9° |
C42 | C44 | H65 | H66 | 118.4° | 120.0° |
C42 | C44 | C45 | C46 | 179.3° | 173.0° |
C42 | C44 | C45 | H67 | 60.7° | 53.0° |
C42 | C44 | C45 | H68 | 59.4° | 67.0° |
C44 | C42 | N13 | C40 | 124.9° | 68.7° |
C44 | C42 | C43 | N17 | 148.8° | 5.6° |
H64 | C42 | C43 | O16 | 83.4° | 64.6° |
H64 | C42 | C44 | C45 | 55.2° | 55.2° |
H64 | C42 | C44 | H65 | 175.7° | 175.2° |
H64 | C42 | C44 | H66 | 65.3° | 64.8° |
H64 | C42 | N13 | C40 | 7.9° | 48.7° |
H64 | C42 | C43 | N17 | 94.1° | 115.6° |
O16 | C43 | N17 | C48 | 1.2° | 179.0° |
O16 | C43 | N17 | H76 | 178.9° | 0.8° |
C45 | C44 | H65 | H66 | 118.3° | 120.0° |
C44 | C45 | C46 | H67 | 120.0° | 120.0° |
C44 | C45 | C46 | H68 | 120.0° | 120.0° |
C44 | C45 | H67 | H68 | 120.1° | 120.0° |
C44 | C45 | C46 | N14 | 176.3° | 180.0° |
C44 | C45 | C46 | H69 | 63.2° | 60.0° |
C44 | C45 | C46 | H70 | 55.8° | 60.0° |
H65 | C44 | C45 | C46 | 58.8° | 67.0° |
H65 | C44 | C45 | H67 | 178.8° | 173.0° |
H65 | C44 | C45 | H68 | 61.1° | 53.0° |
H66 | C44 | C45 | C46 | 60.1° | 53.1° |
H66 | C44 | C45 | H67 | 59.9° | 66.9° |
H66 | C44 | C45 | H68 | 179.9° | 173.1° |
C46 | C45 | H67 | H68 | 120.1° | 120.1° |
C45 | C46 | N14 | H69 | 120.5° | 120.0° |
C45 | C46 | N14 | H70 | 120.5° | 120.1° |
C45 | C46 | H69 | H70 | 118.4° | 120.0° |
C45 | C46 | N14 | C47 | 74.8° | 180.0° |
C45 | C46 | N14 | H71 | 105.1° | 0.1° |
H67 | C45 | C46 | N14 | 56.3° | 60.1° |
H67 | C45 | C46 | H69 | 176.8° | 180.0° |
H67 | C45 | C46 | H70 | 64.2° | 60.0° |
H68 | C45 | C46 | N14 | 63.7° | 60.0° |
H68 | C45 | C46 | H69 | 56.8° | 60.0° |
H68 | C45 | C46 | H70 | 175.8° | 179.9° |
N14 | C46 | H69 | H70 | 118.5° | 120.0° |
C46 | N14 | C47 | H71 | 180.0° | 180.0° |
C46 | N14 | C47 | N15 | 177.0° | 0.0° |
C46 | N14 | C47 | N16 | 0.1° | 180.0° |
H69 | C46 | N14 | C47 | 164.7° | 60.0° |
H69 | C46 | N14 | H71 | 15.3° | 120.0° |
H70 | C46 | N14 | C47 | 45.6° | 60.0° |
H70 | C46 | N14 | H71 | 134.4° | 120.0° |
N14 | C47 | N15 | N16 | 177.2° | 180.0° |
N14 | C47 | N15 | H72 | 177.2° | 0.0° |
N14 | C47 | N15 | H73 | 2.7° | 180.0° |
N14 | C47 | N16 | H74 | 177.2° | 0.0° |
N14 | C47 | N16 | H75 | 2.8° | 180.0° |
H71 | N14 | C47 | N15 | 2.9° | 180.0° |
H71 | N14 | C47 | N16 | 179.9° | 0.0° |
C47 | N15 | H72 | H73 | 180.0° | 180.0° |
N15 | C47 | N16 | H74 | 0.0° | 180.0° |
N15 | C47 | N16 | H75 | 180.0° | 0.0° |
N16 | C47 | N15 | H72 | 0.0° | 180.0° |
N16 | C47 | N15 | H73 | 180.0° | 0.0° |
C47 | N16 | H74 | H75 | 180.0° | 180.0° |
C48 | N17 | H76 | C43 | 180.0° | 179.8° |
N17 | C48 | C49 | H77 | 120.4° | 121.7° |
N17 | C48 | C49 | H78 | 120.3° | 119.4° |
N17 | C48 | H77 | H78 | 119.0° | 122.0° |
N17 | C48 | C49 | O17 | 17.2° | 28.1° |
N17 | C48 | C49 | N18 | 160.2° | 151.8° |
H76 | N17 | C48 | C49 | 98.0° | 9.6° |
H76 | N17 | C48 | H77 | 141.7° | 111.4° |
H76 | N17 | C48 | H78 | 22.3° | 126.6° |
C49 | C48 | H77 | H78 | 118.9° | 116.6° |
C48 | C49 | O17 | N18 | 177.2° | 179.9° |
C48 | C49 | N18 | C50 | 170.0° | 157.8° |
C48 | C49 | N18 | H79 | 10.0° | 22.3° |
C49 | C48 | N17 | C43 | 82.0° | 170.2° |
H77 | C48 | C49 | O17 | 137.5° | 149.8° |
H77 | C48 | N17 | C43 | 38.3° | 68.9° |
H77 | C48 | C49 | N18 | 39.9° | 30.2° |
H78 | C48 | C49 | O17 | 103.2° | 91.3° |
H78 | C48 | N17 | C43 | 157.6° | 53.1° |
H78 | C48 | C49 | N18 | 79.4° | 88.8° |
O17 | C49 | N18 | C50 | 12.6° | 22.2° |
O17 | C49 | N18 | H79 | 167.4° | 157.7° |
C50 | N18 | H79 | C49 | 180.0° | 179.9° |
N18 | C50 | C51 | C52 | 123.8° | 119.0° |
N18 | C50 | C51 | H80 | 117.0° | 118.6° |
N18 | C50 | C52 | H80 | 119.8° | 118.4° |
N18 | C50 | C51 | O18 | 42.4° | 10.5° |
N18 | C50 | C52 | C53 | 72.2° | 65.0° |
N18 | C50 | C52 | H81 | 167.1° | 54.9° |
N18 | C50 | C52 | H82 | 48.5° | 175.0° |
N18 | C50 | C51 | N22 | 134.3° | 169.9° |
H79 | N18 | C50 | C51 | 127.2° | 56.3° |
H79 | N18 | C50 | C52 | 3.0° | 63.2° |
H79 | N18 | C50 | H80 | 116.2° | 177.2° |
C51 | C50 | C52 | H80 | 119.5° | 123.4° |
C50 | C51 | O18 | N22 | 176.3° | 179.7° |
C51 | C50 | C52 | C53 | 48.5° | 176.9° |
C51 | C50 | C52 | H81 | 72.2° | 63.2° |
C51 | C50 | C52 | H82 | 169.1° | 56.9° |
C50 | C51 | N22 | C56 | 179.3° | 35.3° |
C50 | C51 | N22 | H92 | 0.7° | 144.8° |
C51 | C50 | N18 | C49 | 52.9° | 123.9° |
C52 | C50 | C51 | O18 | 81.5° | 108.5° |
C50 | C52 | C53 | H81 | 120.7° | 119.9° |
C50 | C52 | C53 | H82 | 120.7° | 120.0° |
C50 | C52 | H81 | H82 | 117.9° | 120.1° |
C50 | C52 | C53 | C54 | 174.5° | 180.0° |
C50 | C52 | C53 | H83 | 54.5° | 60.0° |
C50 | C52 | C53 | H84 | 65.6° | 60.0° |
C52 | C50 | N18 | C49 | 177.1° | 116.6° |
C52 | C50 | C51 | N22 | 101.9° | 71.1° |
H80 | C50 | C51 | O18 | 159.4° | 129.1° |
H80 | C50 | C52 | C53 | 167.9° | 53.5° |
H80 | C50 | C52 | H81 | 47.3° | 173.4° |
H80 | C50 | C52 | H82 | 71.4° | 66.5° |
H80 | C50 | N18 | C49 | 63.8° | 3.0° |
H80 | C50 | C51 | N22 | 17.2° | 51.2° |
O18 | C51 | N22 | C56 | 2.8° | 145.1° |
O18 | C51 | N22 | H92 | 177.2° | 34.8° |
C53 | C52 | H81 | H82 | 117.9° | 120.0° |
C52 | C53 | C54 | H83 | 120.0° | 120.0° |
C52 | C53 | C54 | H84 | 119.9° | 120.0° |
C52 | C53 | H83 | H84 | 120.2° | 120.0° |
C52 | C53 | C54 | N19 | 68.4° | 180.0° |
C52 | C53 | C54 | H85 | 52.0° | 60.0° |
C52 | C53 | C54 | H86 | 171.2° | 60.0° |
H81 | C52 | C53 | C54 | 64.9° | 60.0° |
H81 | C52 | C53 | H83 | 175.2° | 179.9° |
H81 | C52 | C53 | H84 | 55.1° | 60.0° |
H82 | C52 | C53 | C54 | 53.8° | 60.0° |
H82 | C52 | C53 | H83 | 66.2° | 60.0° |
H82 | C52 | C53 | H84 | 173.7° | 180.0° |
C54 | C53 | H83 | H84 | 120.2° | 120.0° |
C53 | C54 | N19 | H85 | 120.4° | 120.0° |
C53 | C54 | N19 | H86 | 120.4° | 120.0° |
C53 | C54 | H85 | H86 | 118.8° | 120.0° |
C53 | C54 | N19 | C55 | 170.3° | 180.0° |
C53 | C54 | N19 | H87 | 9.7° | 0.0° |
H83 | C53 | C54 | N19 | 171.6° | 60.0° |
H83 | C53 | C54 | H85 | 68.0° | 180.0° |
H83 | C53 | C54 | H86 | 51.3° | 60.1° |
H84 | C53 | C54 | N19 | 51.5° | 60.0° |
H84 | C53 | C54 | H85 | 171.9° | 60.1° |
H84 | C53 | C54 | H86 | 68.9° | NaN° |
N19 | C54 | H85 | H86 | 118.8° | 120.0° |
C54 | N19 | C55 | H87 | 180.0° | 180.0° |
C54 | N19 | C55 | N20 | 0.5° | 0.0° |
C54 | N19 | C55 | N21 | 179.8° | 180.0° |
H85 | C54 | N19 | C55 | 69.3° | 60.0° |
H85 | C54 | N19 | H87 | 110.7° | 120.0° |
H86 | C54 | N19 | C55 | 49.9° | 60.0° |
H86 | C54 | N19 | H87 | 130.0° | 120.0° |
N19 | C55 | N20 | N21 | 179.2° | 180.0° |
N19 | C55 | N20 | H88 | 179.2° | 0.0° |
N19 | C55 | N20 | H89 | 0.8° | 180.0° |
N19 | C55 | N21 | H90 | 179.2° | 180.0° |
N19 | C55 | N21 | H91 | 0.8° | 0.1° |
H87 | N19 | C55 | N20 | 179.4° | 180.0° |
H87 | N19 | C55 | N21 | 0.2° | 0.0° |
C55 | N20 | H88 | H89 | 180.0° | 180.0° |
N20 | C55 | N21 | H90 | 0.0° | 0.0° |
N20 | C55 | N21 | H91 | 180.0° | 180.0° |
N21 | C55 | N20 | H88 | 0.0° | 180.0° |
N21 | C55 | N20 | H89 | 180.0° | 0.0° |
C55 | N21 | H90 | H91 | 180.0° | 180.0° |
N22 | C56 | C57 | C58 | 122.3° | 124.5° |
N22 | C56 | C57 | H93 | 119.2° | 117.4° |
N22 | C56 | C58 | H93 | 119.0° | 120.5° |
N22 | C56 | C57 | O19 | 165.7° | 59.9° |
N22 | C56 | C58 | C59 | 79.9° | 174.3° |
C56 | N22 | H92 | C51 | 180.0° | 179.9° |
N22 | C56 | C58 | H94 | 40.1° | 65.7° |
N22 | C56 | C58 | H95 | 160.2° | 54.3° |
N22 | C56 | C57 | N23 | 16.1° | 118.1° |
C57 | C56 | C58 | H93 | 119.0° | 117.6° |
C56 | C57 | O19 | N23 | 178.2° | 178.1° |
C57 | C56 | C58 | C59 | 42.2° | 63.8° |
C57 | C56 | N22 | H92 | 83.1° | 44.7° |
C57 | C56 | C58 | H94 | 162.1° | 56.2° |
C57 | C56 | C58 | H95 | 77.7° | 176.2° |
C56 | C57 | N23 | C60 | 174.0° | 168.1° |
C56 | C57 | N23 | H99 | 5.9° | 14.0° |
C57 | C56 | N22 | C51 | 96.9° | 135.1° |
C58 | C56 | C57 | O19 | 43.4° | 175.6° |
C56 | C58 | C59 | H94 | 119.9° | 120.0° |
C56 | C58 | C59 | H95 | 119.9° | 120.0° |
C58 | C56 | N22 | H92 | 40.4° | 167.8° |
C56 | C58 | H94 | H95 | 120.2° | 120.0° |
C56 | C58 | C59 | H96 | 180.0° | 175.0° |
C56 | C58 | C59 | H97 | 60.0° | 65.0° |
C56 | C58 | C59 | H98 | 60.0° | 55.0° |
C58 | C56 | N22 | C51 | 139.6° | 12.1° |
C58 | C56 | C57 | N23 | 138.3° | 6.4° |
O19 | C57 | C56 | H93 | 75.1° | 57.5° |
O19 | C57 | N23 | C60 | 4.2° | 13.9° |
O19 | C57 | N23 | H99 | 175.8° | 163.9° |
C59 | C58 | C56 | H93 | 161.2° | 53.8° |
C59 | C58 | H94 | H95 | 120.2° | 120.0° |
C58 | C59 | H96 | H97 | 120.0° | 120.0° |
C58 | C59 | H96 | H98 | 120.0° | 120.0° |
C58 | C59 | H97 | H98 | 120.0° | 120.0° |
H92 | N22 | C56 | H93 | 158.3° | 72.0° |
H93 | C56 | C58 | H94 | 78.9° | 173.8° |
H93 | C56 | C58 | H95 | 41.3° | 66.2° |
H93 | C56 | N22 | C51 | 21.7° | 108.2° |
H93 | C56 | C57 | N23 | 103.2° | 124.5° |
H94 | C58 | C59 | H96 | 60.1° | 55.0° |
H94 | C58 | C59 | H97 | 179.9° | 175.0° |
H94 | C58 | C59 | H98 | 59.9° | 65.0° |
H95 | C58 | C59 | H96 | 60.1° | 65.0° |
H95 | C58 | C59 | H97 | 59.9° | 55.0° |
H95 | C58 | C59 | H98 | 179.9° | 175.0° |
H96 | C59 | H97 | H98 | 120.0° | 120.0° |
C60 | N23 | H99 | C57 | 180.0° | 178.0° |
N23 | C60 | C61 | C62 | 125.5° | 124.0° |
N23 | C60 | C61 | H100 | 117.6° | 117.8° |
N23 | C60 | C62 | H100 | 119.3° | 118.5° |
N23 | C60 | C61 | O20 | 26.2° | 82.0° |
N23 | C60 | C62 | O21 | 83.6° | 61.8° |
N23 | C60 | C62 | H101 | 155.9° | 58.2° |
N23 | C60 | C62 | H102 | 36.8° | 178.3° |
N23 | C60 | C61 | N24 | 152.5° | 98.7° |
H99 | N23 | C60 | C61 | 102.9° | 97.9° |
H99 | N23 | C60 | C62 | 21.1° | 138.6° |
H99 | N23 | C60 | H100 | 140.0° | 19.9° |
C61 | C60 | C62 | H100 | 117.0° | 118.1° |
C60 | C61 | O20 | N24 | 178.5° | 179.3° |
C61 | C60 | C62 | O21 | 40.1° | 174.8° |
C61 | C60 | C62 | H101 | 80.4° | 65.2° |
C61 | C60 | C62 | H102 | 160.6° | 54.9° |
C60 | C61 | N24 | C63 | 171.6° | 176.7° |
C60 | C61 | N24 | H104 | 8.5° | 2.6° |
C61 | C60 | N23 | C57 | 77.2° | 80.0° |
C62 | C60 | C61 | O20 | 99.3° | 42.0° |
C60 | C62 | O21 | H101 | 120.5° | 120.0° |
C60 | C62 | O21 | H102 | 120.5° | 120.0° |
C60 | C62 | H101 | H102 | 118.6° | 120.0° |
C60 | C62 | O21 | H103 | 159.7° | 179.9° |
C62 | C60 | N23 | C57 | 158.8° | 43.5° |
C62 | C60 | C61 | N24 | 82.1° | 137.3° |
H100 | C60 | C61 | O20 | 143.8° | 160.2° |
H100 | C60 | C62 | O21 | 157.1° | 56.7° |
H100 | C60 | C62 | H101 | 36.6° | 176.7° |
H100 | C60 | C62 | H102 | 82.5° | 63.3° |
H100 | C60 | N23 | C57 | 40.0° | 162.1° |
H100 | C60 | C61 | N24 | 34.9° | 19.0° |
O20 | C61 | N24 | C63 | 9.9° | 2.6° |
O20 | C61 | N24 | H104 | 170.1° | 178.1° |
O21 | C62 | H101 | H102 | 118.6° | 120.0° |
H101 | C62 | O21 | H103 | 39.2° | 60.0° |
H102 | C62 | O21 | H103 | 79.8° | 60.1° |
C63 | N24 | H104 | C61 | 180.0° | 179.3° |
N24 | C63 | C64 | C65 | 120.2° | 120.9° |
N24 | C63 | C64 | H105 | 119.1° | 119.8° |
N24 | C63 | C65 | H105 | 122.3° | 119.7° |
N24 | C63 | C64 | O22 | 94.4° | 106.6° |
N24 | C63 | C65 | H106 | 180.0° | 60.0° |
N24 | C63 | C65 | H107 | 60.0° | 180.0° |
N24 | C63 | C65 | H108 | 60.0° | 60.0° |
N24 | C63 | C64 | N25 | 82.6° | 72.9° |
H104 | N24 | C63 | C64 | 86.2° | 27.6° |
H104 | N24 | C63 | C65 | 33.4° | 93.2° |
H104 | N24 | C63 | H105 | 155.1° | 147.2° |
C64 | C63 | C65 | H105 | 120.9° | 119.3° |
C63 | C64 | O22 | N25 | 176.7° | 179.6° |
C64 | C63 | C65 | H106 | 63.2° | 61.0° |
C64 | C63 | C65 | H107 | 176.8° | 58.9° |
C64 | C63 | C65 | H108 | 56.8° | 178.9° |
C63 | C64 | N25 | C66 | 173.8° | 178.6° |
C63 | C64 | N25 | H109 | 6.2° | 2.0° |
C64 | C63 | N24 | C61 | 93.8° | 151.7° |
C65 | C63 | C64 | O22 | 25.8° | 132.5° |
C63 | C65 | H106 | H107 | 120.0° | 120.0° |
C63 | C65 | H106 | H108 | 120.0° | 120.0° |
C63 | C65 | H107 | H108 | 120.0° | 120.0° |
C65 | C63 | N24 | C61 | 146.6° | 87.4° |
C65 | C63 | C64 | N25 | 157.2° | 48.0° |
H105 | C63 | C64 | O22 | 146.5° | 13.1° |
H105 | C63 | C65 | H106 | 57.7° | 179.7° |
H105 | C63 | C65 | H107 | 62.3° | 60.3° |
H105 | C63 | C65 | H108 | 177.7° | 59.6° |
H105 | C63 | N24 | C61 | 24.9° | 32.1° |
H105 | C63 | C64 | N25 | 36.5° | 167.3° |
O22 | C64 | N25 | C66 | 9.3° | 1.8° |
O22 | C64 | N25 | H109 | 170.7° | 177.5° |
H106 | C65 | H107 | H108 | 120.0° | 120.0° |
C66 | N25 | H109 | C64 | 180.0° | 179.3° |
N25 | C66 | C67 | C68 | 122.9° | 119.8° |
N25 | C66 | C67 | H110 | 117.1° | 120.2° |
N25 | C66 | C68 | H110 | 119.2° | 120.2° |
N25 | C66 | C67 | O23 | 39.5° | 20.0° |
N25 | C66 | C68 | S3 | 161.6° | 93.9° |
N25 | C66 | C68 | H111 | 77.3° | 146.5° |
N25 | C66 | C68 | H112 | 40.5° | 26.5° |
N25 | C66 | C67 | N26 | 137.8° | 160.0° |
H109 | N25 | C66 | C67 | 36.9° | 59.6° |
H109 | N25 | C66 | C68 | 88.1° | 60.2° |
H109 | N25 | C66 | H110 | 153.3° | 179.7° |
C67 | C66 | C68 | H110 | 120.1° | 120.1° |
C66 | C67 | O23 | N26 | 177.1° | 180.0° |
C67 | C66 | C68 | S3 | 40.9° | 25.8° |
C67 | C66 | C68 | H111 | 162.0° | 93.8° |
C67 | C66 | C68 | H112 | 80.2° | 146.2° |
C66 | C67 | N26 | C69 | 170.0° | 180.0° |
C66 | C67 | N26 | H113 | 10.0° | 0.0° |
C67 | C66 | N25 | C64 | 143.1° | 119.8° |
C68 | C66 | C67 | O23 | 83.4° | 99.8° |
C66 | C68 | S3 | H111 | 121.1° | 119.5° |
C66 | C68 | S3 | H112 | 121.1° | 120.5° |
C66 | C68 | H111 | H112 | 116.5° | 120.1° |
C68 | C66 | N25 | C64 | 91.9° | 120.4° |
C68 | C66 | C67 | N26 | 99.3° | 80.2° |
C66 | C68 | S3 | C79 | 89.0° | 148.5° |
H110 | C66 | C67 | O23 | 156.6° | 140.2° |
H110 | C66 | C68 | S3 | 79.2° | 145.8° |
H110 | C66 | C68 | H111 | 41.9° | 26.2° |
H110 | C66 | C68 | H112 | 159.7° | 93.7° |
H110 | C66 | N25 | C64 | 26.7° | 0.4° |
H110 | C66 | C67 | N26 | 20.7° | 39.8° |
O23 | C67 | N26 | C69 | 7.2° | 0.1° |
O23 | C67 | N26 | H113 | 172.8° | 180.0° |
S3 | C68 | H111 | H112 | 116.5° | 120.1° |
C68 | S3 | C79 | C75 | 59.1° | 172.7° |
C68 | S3 | C79 | H125 | 62.2° | 67.4° |
C68 | S3 | C79 | H126 | 179.6° | 52.7° |
H111 | C68 | S3 | C79 | 32.1° | 92.0° |
H112 | C68 | S3 | C79 | 149.9° | 28.0° |
C69 | N26 | H113 | C67 | 180.0° | 179.9° |
N26 | C69 | C70 | H114 | 120.4° | 120.0° |
N26 | C69 | C70 | H115 | 120.3° | 120.0° |
N26 | C69 | H114 | H115 | 118.9° | 120.0° |
N26 | C69 | C70 | O24 | 167.5° | 0.0° |
N26 | C69 | C70 | N27 | 12.2° | 180.0° |
H113 | N26 | C69 | C70 | 73.0° | 0.0° |
H113 | N26 | C69 | H114 | 47.3° | 120.1° |
H113 | N26 | C69 | H115 | 166.6° | 120.0° |
C70 | C69 | H114 | H115 | 118.9° | 119.9° |
C69 | C70 | O24 | N27 | 179.7° | 179.9° |
C69 | C70 | N27 | H116 | 179.7° | 0.0° |
C69 | C70 | N27 | H117 | 0.3° | 179.9° |
C70 | C69 | N26 | C67 | 107.0° | 179.9° |
H114 | C69 | C70 | O24 | 47.1° | 120.0° |
H114 | C69 | N26 | C67 | 132.7° | 60.0° |
H114 | C69 | C70 | N27 | 132.6° | 59.9° |
H115 | C69 | C70 | O24 | 72.2° | 120.1° |
H115 | C69 | N26 | C67 | 13.3° | 59.9° |
H115 | C69 | C70 | N27 | 108.1° | 60.0° |
O24 | C70 | N27 | H116 | 0.0° | 180.0° |
O24 | C70 | N27 | H117 | 180.0° | 0.0° |
H116 | N27 | H117 | C70 | 180.0° | 180.0° |
C72 | C71 | C76 | C77 | 176.8° | 179.6° |
C71 | C72 | C73 | H118 | 180.0° | 180.0° |
C71 | C72 | C73 | C74 | 3.2° | 0.0° |
C71 | C72 | C73 | C78 | 178.6° | 180.0° |
C72 | C71 | C76 | C75 | 0.8° | 0.4° |
C72 | C71 | C76 | H120 | 179.2° | 179.8° |
C72 | C71 | C77 | H121 | 127.4° | 68.6° |
C72 | C71 | C77 | H122 | 8.3° | 172.2° |
C72 | C71 | C77 | S2 | 112.1° | 51.8° |
C76 | C71 | C72 | C73 | 2.5° | 0.3° |
C71 | C76 | C75 | C74 | 0.2° | 0.2° |
C71 | C76 | C75 | H120 | 180.0° | 179.8° |
C71 | C76 | C75 | C79 | 179.7° | 179.7° |
C76 | C71 | C72 | H118 | 177.5° | 179.7° |
C76 | C71 | C77 | H121 | 55.8° | 111.1° |
C76 | C71 | C77 | H122 | 174.9° | 8.2° |
C76 | C71 | C77 | S2 | 64.7° | 128.5° |
C77 | C71 | C72 | C73 | 179.3° | 179.3° |
C77 | C71 | C76 | C75 | 177.6° | 179.2° |
C77 | C71 | C72 | H118 | 0.7° | 0.7° |
C77 | C71 | C76 | H120 | 2.4° | 0.6° |
C71 | C77 | H121 | H122 | 118.6° | 119.5° |
C71 | C77 | H121 | S2 | 122.7° | 121.0° |
C71 | C77 | H122 | S2 | 122.7° | 121.0° |
C72 | C73 | C74 | C78 | 175.6° | 180.0° |
C72 | C73 | C74 | C75 | 2.1° | 0.2° |
C72 | C73 | C74 | H119 | 177.8° | 179.5° |
C72 | C73 | C78 | H123 | 18.8° | 2.3° |
C72 | C73 | C78 | H124 | 140.9° | 122.2° |
C72 | C73 | C78 | S1 | 100.2° | 117.9° |
C73 | C74 | C75 | H119 | 180.0° | 179.7° |
C73 | C74 | C75 | C76 | 0.4° | 0.1° |
C73 | C74 | C75 | C79 | 179.1° | 180.0° |
C74 | C73 | C72 | H118 | 176.9° | 180.0° |
C74 | C73 | C78 | H123 | 165.7° | 177.7° |
C74 | C73 | C78 | H124 | 43.5° | 57.8° |
C74 | C73 | C78 | S1 | 75.4° | 62.1° |
C78 | C73 | C74 | C75 | 177.7° | 179.8° |
C78 | C73 | C72 | H118 | 1.4° | 0.0° |
C78 | C73 | C74 | H119 | 2.3° | 0.5° |
C73 | C78 | H123 | H124 | 123.1° | 119.9° |
C73 | C78 | H123 | S1 | 113.7° | 120.1° |
C73 | C78 | H124 | S1 | 113.7° | 119.9° |
C74 | C75 | C76 | C79 | 179.5° | 179.9° |
C74 | C75 | C76 | H120 | 179.8° | 180.0° |
C74 | C75 | C79 | H125 | 10.8° | 33.3° |
C74 | C75 | C79 | H126 | 128.2° | 153.5° |
C74 | C75 | C79 | S3 | 110.5° | 86.6° |
C76 | C75 | C74 | H119 | 179.6° | 179.6° |
C76 | C75 | C79 | H125 | 168.7° | 146.8° |
C76 | C75 | C79 | H126 | 51.2° | 26.6° |
C76 | C75 | C79 | S3 | 70.0° | 93.3° |
C79 | C75 | C74 | H119 | 1.0° | 0.3° |
C79 | C75 | C76 | H120 | 0.3° | 0.0° |
C75 | C79 | H125 | H126 | 115.9° | 120.2° |
C75 | C79 | H125 | S3 | 128.1° | 119.7° |
C75 | C79 | H126 | S3 | 128.1° | 119.7° |
H121 | C77 | H122 | S2 | 118.7° | 119.5° |
H123 | C78 | H124 | S1 | 123.2° | 120.0° |
H125 | C79 | H126 | S3 | 115.9° | 120.1° |