PRD_001259
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
N1 | C1 | sing | 1.47Å | 1.49Å | |
N1 | H1 | sing | 1.01Å | 1.00Å | |
N1 | H2 | sing | 1.01Å | 1.00Å | |
C1 | C2 | sing | 1.51Å | 1.52Å | |
C1 | H3 | sing | 1.09Å | 1.10Å | |
C1 | H4 | sing | 1.09Å | 1.10Å | |
C2 | O1 | doub | 1.21Å | 1.23Å | |
N2 | C3 | sing | 1.47Å | 1.47Å | |
N2 | H5 | sing | 0.97Å | 1.00Å | |
C3 | C4 | sing | 1.51Å | 1.53Å | |
C3 | C5 | sing | 1.53Å | 1.53Å | |
C3 | H6 | sing | 1.09Å | 1.10Å | |
C4 | O2 | doub | 1.21Å | 1.22Å | |
C5 | C6 | sing | 1.53Å | 1.52Å | |
C5 | H7 | sing | 1.09Å | 1.10Å | |
C5 | H8 | sing | 1.09Å | 1.10Å | |
C6 | C7 | sing | 1.53Å | 1.52Å | |
C6 | H9 | sing | 1.09Å | 1.10Å | |
C6 | H10 | sing | 1.09Å | 1.10Å | |
C7 | N3 | sing | 1.46Å | 1.46Å | |
C7 | H11 | sing | 1.09Å | 1.10Å | |
C7 | H12 | sing | 1.09Å | 1.10Å | |
N3 | C8 | sing | 1.37Å | 1.34Å | |
N3 | H13 | sing | 0.97Å | 1.00Å | |
C8 | N4 | sing | 1.33Å | 1.33Å | |
C8 | N5 | doub | 1.33Å | 1.33Å | |
N4 | H14 | sing | 0.97Å | 1.00Å | |
N4 | H15 | sing | 0.97Å | 1.00Å | |
N5 | H16 | sing | 0.97Å | 1.00Å | |
N5 | H17 | sing | 0.97Å | 1.00Å | |
N6 | C9 | sing | 1.47Å | 1.46Å | |
N6 | H18 | sing | 0.97Å | 1.00Å | |
C9 | C10 | sing | 1.51Å | 1.53Å | |
C9 | C11 | sing | 1.53Å | 1.53Å | |
C9 | H19 | sing | 1.09Å | 1.10Å | |
C10 | O3 | doub | 1.21Å | 1.23Å | |
C11 | S1 | sing | 1.81Å | 1.83Å | |
C11 | H20 | sing | 1.09Å | 1.10Å | |
C11 | H21 | sing | 1.09Å | 1.10Å | |
N7 | C12 | sing | 1.47Å | 1.46Å | |
N7 | H22 | sing | 0.97Å | 1.00Å | |
C12 | C13 | sing | 1.51Å | 1.53Å | |
C12 | C14 | sing | 1.53Å | 1.55Å | |
C12 | H23 | sing | 1.09Å | 1.10Å | |
C13 | O4 | doub | 1.21Å | 1.23Å | |
C14 | O5 | sing | 1.43Å | 1.43Å | |
C14 | C15 | sing | 1.53Å | 1.52Å | |
C14 | H24 | sing | 1.09Å | 1.10Å | |
O5 | H25 | sing | 0.97Å | 0.95Å | |
C15 | H26 | sing | 1.09Å | 1.10Å | |
C15 | H27 | sing | 1.09Å | 1.10Å | |
C15 | H28 | sing | 1.09Å | 1.10Å | |
N8 | C16 | sing | 1.47Å | 1.47Å | |
N8 | H29 | sing | 0.97Å | 1.00Å | |
C16 | C17 | sing | 1.51Å | 1.54Å | |
C16 | C18 | sing | 1.53Å | 1.54Å | |
C16 | H30 | sing | 1.09Å | 1.10Å | |
C17 | O6 | doub | 1.21Å | 1.23Å | |
C18 | C19 | sing | 1.53Å | 1.53Å | |
C18 | H31 | sing | 1.09Å | 1.10Å | |
C18 | H32 | sing | 1.09Å | 1.10Å | |
C19 | C20 | sing | 1.53Å | 1.52Å | |
C19 | H33 | sing | 1.09Å | 1.10Å | |
C19 | H34 | sing | 1.09Å | 1.10Å | |
C20 | C21 | sing | 1.53Å | 1.52Å | |
C20 | H35 | sing | 1.09Å | 1.10Å | |
C20 | H36 | sing | 1.09Å | 1.10Å | |
C21 | N9 | sing | 1.47Å | 1.49Å | |
C21 | H37 | sing | 1.09Å | 1.10Å | |
C21 | H38 | sing | 1.09Å | 1.10Å | |
N9 | H39 | sing | 1.01Å | 1.00Å | |
N9 | H40 | sing | 1.01Å | 1.00Å | |
N9 | H41 | sing | 1.01Å | 1.00Å | |
N10 | C22 | sing | 1.47Å | 1.46Å | |
N10 | H42 | sing | 0.97Å | 1.00Å | |
C22 | C23 | sing | 1.51Å | 1.53Å | |
C22 | C24 | sing | 1.53Å | 1.53Å | |
C22 | H43 | sing | 1.09Å | 1.10Å | |
C23 | O7 | doub | 1.21Å | 1.23Å | |
C24 | O8 | sing | 1.43Å | 1.42Å | |
C24 | H44 | sing | 1.09Å | 1.10Å | |
C24 | H45 | sing | 1.09Å | 1.10Å | |
O8 | H46 | sing | 0.97Å | 0.95Å | |
N11 | C25 | sing | 1.47Å | 1.46Å | |
N11 | H47 | sing | 0.97Å | 1.00Å | |
C25 | C26 | sing | 1.51Å | 1.53Å | |
C25 | C27 | sing | 1.53Å | 1.55Å | |
C25 | H48 | sing | 1.09Å | 1.10Å | |
C26 | O9 | doub | 1.21Å | 1.23Å | |
C27 | C28 | sing | 1.53Å | 1.53Å | |
C27 | C29 | sing | 1.53Å | 1.52Å | |
C27 | H49 | sing | 1.09Å | 1.10Å | |
C28 | C30 | sing | 1.53Å | 1.52Å | |
C28 | H50 | sing | 1.09Å | 1.10Å | |
C28 | H51 | sing | 1.09Å | 1.10Å | |
C29 | H52 | sing | 1.09Å | 1.10Å | |
C29 | H53 | sing | 1.09Å | 1.10Å | |
C29 | H54 | sing | 1.09Å | 1.10Å | |
C30 | H55 | sing | 1.09Å | 1.10Å | |
C30 | H56 | sing | 1.09Å | 1.10Å | |
C30 | H57 | sing | 1.09Å | 1.10Å | |
N12 | C31 | sing | 1.46Å | 1.47Å | |
N12 | C35 | sing | 1.47Å | 1.47Å | |
C31 | C32 | sing | 1.50Å | 1.53Å | |
C31 | C33 | sing | 1.54Å | 1.54Å | |
C31 | H58 | sing | 1.09Å | 1.10Å | |
C32 | O10 | doub | 1.21Å | 1.23Å | |
C33 | C34 | sing | 1.54Å | 1.49Å | |
C33 | H59 | sing | 1.09Å | 1.10Å | |
C33 | H60 | sing | 1.09Å | 1.10Å | |
C34 | C35 | sing | 1.53Å | 1.50Å | |
C34 | H61 | sing | 1.09Å | 1.10Å | |
C34 | H62 | sing | 1.09Å | 1.10Å | |
C35 | H63 | sing | 1.09Å | 1.10Å | |
C35 | H64 | sing | 1.09Å | 1.10Å | |
N13 | C36 | sing | 1.46Å | 1.47Å | |
N13 | C40 | sing | 1.46Å | 1.47Å | |
C36 | C37 | sing | 1.51Å | 1.53Å | |
C36 | C38 | sing | 1.53Å | 1.53Å | |
C36 | H65 | sing | 1.09Å | 1.10Å | |
C37 | O11 | doub | 1.21Å | 1.23Å | |
C38 | C39 | sing | 1.53Å | 1.49Å | |
C38 | H66 | sing | 1.09Å | 1.10Å | |
C38 | H67 | sing | 1.09Å | 1.10Å | |
C39 | C40 | sing | 1.53Å | 1.50Å | |
C39 | H68 | sing | 1.09Å | 1.10Å | |
C39 | H69 | sing | 1.09Å | 1.10Å | |
C40 | H70 | sing | 1.09Å | 1.10Å | |
C40 | H71 | sing | 1.09Å | 1.10Å | |
N14 | C41 | sing | 1.47Å | 1.46Å | |
N14 | H72 | sing | 0.97Å | 1.00Å | |
C41 | C42 | sing | 1.51Å | 1.52Å | |
C41 | C43 | sing | 1.53Å | 1.55Å | |
C41 | H73 | sing | 1.09Å | 1.10Å | |
C42 | O12 | doub | 1.21Å | 1.23Å | |
C43 | C44 | sing | 1.53Å | 1.53Å | |
C43 | C45 | sing | 1.53Å | 1.52Å | |
C43 | H74 | sing | 1.09Å | 1.10Å | |
C44 | C46 | sing | 1.53Å | 1.51Å | |
C44 | H75 | sing | 1.09Å | 1.10Å | |
C44 | H76 | sing | 1.09Å | 1.10Å | |
C45 | H77 | sing | 1.09Å | 1.10Å | |
C45 | H78 | sing | 1.09Å | 1.10Å | |
C45 | H79 | sing | 1.09Å | 1.10Å | |
C46 | H80 | sing | 1.09Å | 1.10Å | |
C46 | H81 | sing | 1.09Å | 1.10Å | |
C46 | H82 | sing | 1.09Å | 1.10Å | |
N15 | C47 | sing | 1.47Å | 1.46Å | |
N15 | H83 | sing | 0.97Å | 1.00Å | |
C47 | C48 | sing | 1.51Å | 1.53Å | |
C47 | C49 | sing | 1.53Å | 1.53Å | |
C47 | H84 | sing | 1.09Å | 1.10Å | |
C48 | O13 | doub | 1.21Å | 1.23Å | |
C49 | S2 | sing | 1.82Å | 1.82Å | |
C49 | H85 | sing | 1.09Å | 1.10Å | |
C49 | H86 | sing | 1.09Å | 1.10Å | |
N16 | C50 | sing | 1.47Å | 1.46Å | |
N16 | H87 | sing | 0.97Å | 1.00Å | |
C50 | C51 | sing | 1.51Å | 1.53Å | |
C50 | C52 | sing | 1.53Å | 1.53Å | |
C50 | H88 | sing | 1.09Å | 1.10Å | |
C51 | O14 | doub | 1.21Å | 1.24Å | |
C52 | C53 | sing | 1.51Å | 1.51Å | |
C52 | H89 | sing | 1.09Å | 1.10Å | |
C52 | H90 | sing | 1.09Å | 1.10Å | |
C53 | C54 | doub | 1.38Å | 1.39Å | Aromatic |
C53 | C55 | sing | 1.38Å | 1.39Å | Aromatic |
C54 | C56 | sing | 1.38Å | 1.38Å | Aromatic |
C54 | H91 | sing | 1.08Å | 1.08Å | |
C55 | C57 | doub | 1.38Å | 1.38Å | Aromatic |
C55 | H92 | sing | 1.08Å | 1.08Å | |
C56 | C58 | doub | 1.38Å | 1.38Å | Aromatic |
C56 | H93 | sing | 1.08Å | 1.08Å | |
C57 | C58 | sing | 1.38Å | 1.38Å | Aromatic |
C57 | H94 | sing | 1.08Å | 1.08Å | |
C58 | H95 | sing | 1.08Å | 1.08Å | |
N17 | C59 | sing | 1.47Å | 1.47Å | |
N17 | C63 | sing | 1.47Å | 1.47Å | |
C59 | C60 | sing | 1.51Å | 1.53Å | |
C59 | C61 | sing | 1.54Å | 1.54Å | |
C59 | H96 | sing | 1.09Å | 1.10Å | |
C60 | O15 | doub | 1.21Å | 1.23Å | |
C61 | C62 | sing | 1.55Å | 1.49Å | |
C61 | H97 | sing | 1.09Å | 1.10Å | |
C61 | H98 | sing | 1.09Å | 1.10Å | |
C62 | C63 | sing | 1.55Å | 1.50Å | |
C62 | H99 | sing | 1.09Å | 1.10Å | |
C62 | H100 | sing | 1.09Å | 1.10Å | |
C63 | H101 | sing | 1.09Å | 1.10Å | |
C63 | H102 | sing | 1.09Å | 1.10Å | |
N18 | C64 | sing | 1.46Å | 1.46Å | |
N18 | H103 | sing | 0.97Å | 1.00Å | |
C64 | C65 | sing | 1.51Å | 1.53Å | |
C64 | C66 | sing | 1.53Å | 1.53Å | |
C64 | H104 | sing | 1.09Å | 1.10Å | |
C65 | O16 | doub | 1.21Å | 1.25Å | |
C65 | O19 | sing | 1.34Å | 1.25Å | |
C66 | C67 | sing | 1.51Å | 1.52Å | |
C66 | H105 | sing | 1.09Å | 1.10Å | |
C66 | H106 | sing | 1.09Å | 1.10Å | |
C67 | O17 | doub | 1.21Å | 1.25Å | |
C67 | O18 | sing | 1.34Å | 1.25Å | |
O18 | H107 | sing | 0.97Å | 0.95Å | |
O19 | H108 | sing | 0.97Å | 0.95Å | |
C2 | N2 | sing | 1.35Å | 1.33Å | |
C4 | N6 | sing | 1.35Å | 1.33Å | |
C10 | N7 | sing | 1.36Å | 1.34Å | |
S1 | S2 | sing | 2.05Å | 2.03Å | |
C13 | N8 | sing | 1.35Å | 1.33Å | |
C17 | N10 | sing | 1.36Å | 1.34Å | |
C23 | N11 | sing | 1.35Å | 1.33Å | |
C26 | N12 | sing | 1.35Å | 1.35Å | |
C32 | N13 | sing | 1.35Å | 1.35Å | |
C37 | N14 | sing | 1.36Å | 1.33Å | |
C42 | N15 | sing | 1.35Å | 1.33Å | |
C48 | N16 | sing | 1.35Å | 1.33Å | |
C51 | N17 | sing | 1.35Å | 1.35Å | |
C60 | N18 | 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 | 112.6° | 109.5° |
N1 | C1 | H3 | 108.7° | 109.5° |
N1 | C1 | H4 | 108.7° | 109.5° |
H1 | N1 | H2 | 109.5° | 111.0° |
C2 | C1 | H3 | 108.7° | 109.5° |
C2 | C1 | H4 | 108.7° | 109.5° |
C1 | C2 | O1 | 120.6° | 120.0° |
C1 | C2 | N2 | 116.2° | 120.0° |
H3 | C1 | H4 | 109.5° | 109.4° |
O1 | C2 | N2 | 123.2° | 120.1° |
C3 | N2 | H5 | 119.1° | 120.0° |
N2 | C3 | C4 | 110.7° | 109.5° |
N2 | C3 | C5 | 110.9° | 109.5° |
N2 | C3 | H6 | 109.0° | 109.5° |
C3 | N2 | C2 | 121.7° | 120.0° |
H5 | N2 | C2 | 119.1° | 120.0° |
C4 | C3 | C5 | 109.9° | 109.5° |
C4 | C3 | H6 | 108.2° | 109.4° |
C3 | C4 | O2 | 120.5° | 120.0° |
C3 | C4 | N6 | 116.8° | 120.0° |
C5 | C3 | H6 | 108.2° | 109.5° |
C3 | C5 | C6 | 114.0° | 109.4° |
C3 | C5 | H7 | 108.3° | 109.5° |
C3 | C5 | H8 | 108.3° | 109.5° |
O2 | C4 | N6 | 122.7° | 120.0° |
C6 | C5 | H7 | 108.3° | 109.5° |
C6 | C5 | H8 | 108.3° | 109.5° |
C5 | C6 | C7 | 111.2° | 109.5° |
C5 | C6 | H9 | 109.0° | 109.5° |
C5 | C6 | H10 | 109.1° | 109.5° |
H7 | C5 | H8 | 109.5° | 109.5° |
C7 | C6 | H9 | 109.0° | 109.4° |
C7 | C6 | H10 | 109.0° | 109.5° |
C6 | C7 | N3 | 112.3° | 109.5° |
C6 | C7 | H11 | 108.8° | 109.4° |
C6 | C7 | H12 | 108.8° | 109.5° |
H9 | C6 | H10 | 109.5° | 109.5° |
N3 | C7 | H11 | 108.8° | 109.5° |
N3 | C7 | H12 | 108.8° | 109.5° |
C7 | N3 | C8 | 124.1° | 120.0° |
C7 | N3 | H13 | 117.9° | 120.0° |
H11 | C7 | H12 | 109.5° | 109.5° |
C8 | N3 | H13 | 118.0° | 120.0° |
N3 | C8 | N4 | 120.5° | 120.0° |
N3 | C8 | N5 | 119.8° | 120.0° |
N4 | C8 | N5 | 119.7° | 120.0° |
C8 | N4 | H14 | 120.0° | 120.0° |
C8 | N4 | H15 | 120.0° | 120.0° |
C8 | N5 | H16 | 120.0° | 120.0° |
C8 | N5 | H17 | 120.0° | 120.0° |
H14 | N4 | H15 | 120.0° | 120.0° |
H16 | N5 | H17 | 120.0° | 120.0° |
C9 | N6 | H18 | 119.3° | 120.0° |
N6 | C9 | C10 | 111.3° | 109.4° |
N6 | C9 | C11 | 110.4° | 109.5° |
N6 | C9 | H19 | 109.0° | 109.4° |
C9 | N6 | C4 | 121.4° | 120.0° |
H18 | N6 | C4 | 119.3° | 120.0° |
C10 | C9 | C11 | 109.9° | 109.5° |
C10 | C9 | H19 | 108.1° | 109.4° |
C9 | C10 | O3 | 120.7° | 120.2° |
C9 | C10 | N7 | 116.3° | 119.5° |
C11 | C9 | H19 | 108.1° | 109.5° |
C9 | C11 | S1 | 114.3° | 109.4° |
C9 | C11 | H20 | 108.3° | 109.5° |
C9 | C11 | H21 | 108.2° | 109.5° |
O3 | C10 | N7 | 123.1° | 120.3° |
S1 | C11 | H20 | 108.2° | 109.5° |
S1 | C11 | H21 | 108.3° | 109.4° |
C11 | S1 | S2 | 104.6° | 103.0° |
H20 | C11 | H21 | 109.5° | 109.5° |
C12 | N7 | H22 | 119.1° | 121.0° |
N7 | C12 | C13 | 111.1° | 109.1° |
N7 | C12 | C14 | 112.3° | 109.5° |
N7 | C12 | H23 | 108.9° | 109.5° |
C12 | N7 | C10 | 121.8° | 118.1° |
H22 | N7 | C10 | 119.1° | 120.9° |
C13 | C12 | C14 | 108.3° | 109.5° |
C13 | C12 | H23 | 108.1° | 109.5° |
C12 | C13 | O4 | 120.9° | 120.3° |
C12 | C13 | N8 | 116.1° | 119.6° |
C14 | C12 | H23 | 107.9° | 109.6° |
C12 | C14 | O5 | 110.1° | 109.5° |
C12 | C14 | C15 | 111.4° | 109.4° |
C12 | C14 | H24 | 108.0° | 109.5° |
O4 | C13 | N8 | 123.0° | 120.2° |
O5 | C14 | C15 | 109.4° | 109.5° |
O5 | C14 | H24 | 109.5° | 109.5° |
C14 | O5 | H25 | 109.5° | 114.0° |
C15 | C14 | H24 | 108.3° | 109.5° |
C14 | C15 | H26 | 109.5° | 109.4° |
C14 | C15 | H27 | 109.5° | 109.5° |
C14 | C15 | H28 | 109.5° | 109.5° |
H26 | C15 | H27 | 109.5° | 109.5° |
H26 | C15 | H28 | 109.4° | 109.5° |
H27 | C15 | H28 | 109.5° | 109.5° |
C16 | N8 | H29 | 119.0° | 120.7° |
N8 | C16 | C17 | 112.0° | 109.0° |
N8 | C16 | C18 | 110.3° | 109.6° |
N8 | C16 | H30 | 108.7° | 109.5° |
C16 | N8 | C13 | 122.0° | 118.7° |
H29 | N8 | C13 | 119.0° | 120.6° |
C17 | C16 | C18 | 110.0° | 109.6° |
C17 | C16 | H30 | 107.8° | 109.5° |
C16 | C17 | O6 | 120.4° | 120.2° |
C16 | C17 | N10 | 117.1° | 119.6° |
C18 | C16 | H30 | 107.8° | 109.7° |
C16 | C18 | C19 | 114.9° | 109.5° |
C16 | C18 | H31 | 108.1° | 109.5° |
C16 | C18 | H32 | 108.1° | 109.4° |
O6 | C17 | N10 | 122.5° | 120.2° |
C19 | C18 | H31 | 108.1° | 109.5° |
C19 | C18 | H32 | 108.1° | 109.5° |
C18 | C19 | C20 | 112.4° | 109.5° |
C18 | C19 | H33 | 108.7° | 109.5° |
C18 | C19 | H34 | 108.7° | 109.5° |
H31 | C18 | H32 | 109.5° | 109.5° |
C20 | C19 | H33 | 108.7° | 109.5° |
C20 | C19 | H34 | 108.7° | 109.5° |
C19 | C20 | C21 | 111.7° | 109.5° |
C19 | C20 | H35 | 108.9° | 109.5° |
C19 | C20 | H36 | 108.9° | 109.5° |
H33 | C19 | H34 | 109.5° | 109.5° |
C21 | C20 | H35 | 108.9° | 109.5° |
C21 | C20 | H36 | 108.9° | 109.5° |
C20 | C21 | N9 | 111.9° | 109.5° |
C20 | C21 | H37 | 108.9° | 109.5° |
C20 | C21 | H38 | 108.9° | 109.5° |
H35 | C20 | H36 | 109.5° | 109.5° |
N9 | C21 | H37 | 108.8° | 109.5° |
N9 | C21 | H38 | 108.8° | 109.4° |
C21 | N9 | H39 | 109.5° | 109.5° |
C21 | N9 | H40 | 109.4° | 109.5° |
C21 | N9 | H41 | 109.4° | 109.5° |
H37 | C21 | H38 | 109.4° | 109.5° |
H39 | N9 | H40 | 109.5° | 109.5° |
H39 | N9 | H41 | 109.5° | 109.4° |
H40 | N9 | H41 | 109.5° | 109.5° |
C22 | N10 | H42 | 119.1° | 121.1° |
N10 | C22 | C23 | 111.0° | 109.3° |
N10 | C22 | C24 | 110.3° | 109.5° |
N10 | C22 | H43 | 109.1° | 109.5° |
C22 | N10 | C17 | 121.8° | 117.8° |
H42 | N10 | C17 | 119.1° | 121.1° |
C23 | C22 | C24 | 109.8° | 109.5° |
C23 | C22 | H43 | 108.2° | 109.5° |
C22 | C23 | O7 | 120.8° | 120.1° |
C22 | C23 | N11 | 116.1° | 119.8° |
C24 | C22 | H43 | 108.2° | 109.6° |
C22 | C24 | O8 | 111.3° | 109.4° |
C22 | C24 | H44 | 109.0° | 109.5° |
C22 | C24 | H45 | 109.0° | 109.5° |
O7 | C23 | N11 | 123.1° | 120.2° |
O8 | C24 | H44 | 109.0° | 109.5° |
O8 | C24 | H45 | 109.0° | 109.5° |
C24 | O8 | H46 | 109.5° | 114.0° |
H44 | C24 | H45 | 109.5° | 109.5° |
C25 | N11 | H47 | 119.1° | 121.0° |
N11 | C25 | C26 | 110.6° | 110.0° |
N11 | C25 | C27 | 112.1° | 109.3° |
N11 | C25 | H48 | 109.1° | 109.4° |
C25 | N11 | C23 | 121.8° | 118.0° |
H47 | N11 | C23 | 119.1° | 121.0° |
C26 | C25 | C27 | 108.8° | 109.4° |
C26 | C25 | H48 | 108.2° | 109.4° |
C25 | C26 | O9 | 120.5° | 120.1° |
C25 | C26 | N12 | 117.6° | 119.9° |
C27 | C25 | H48 | 108.0° | 109.3° |
C25 | C27 | C28 | 111.3° | 109.4° |
C25 | C27 | C29 | 110.4° | 109.5° |
C25 | C27 | H49 | 108.1° | 109.5° |
O9 | C26 | N12 | 121.9° | 120.1° |
C28 | C27 | C29 | 110.1° | 109.5° |
C28 | C27 | H49 | 108.3° | 109.4° |
C27 | C28 | C30 | 114.0° | 109.5° |
C27 | C28 | H50 | 108.3° | 109.4° |
C27 | C28 | H51 | 108.3° | 109.5° |
C29 | C27 | H49 | 108.5° | 109.5° |
C27 | C29 | H52 | 109.5° | 109.4° |
C27 | C29 | H53 | 109.5° | 109.5° |
C27 | C29 | H54 | 109.5° | 109.5° |
C30 | C28 | H50 | 108.3° | 109.5° |
C30 | C28 | H51 | 108.3° | 109.5° |
C28 | C30 | H55 | 109.5° | 109.4° |
C28 | C30 | H56 | 109.5° | 109.5° |
C28 | C30 | H57 | 109.5° | 109.4° |
H50 | C28 | H51 | 109.5° | 109.4° |
H52 | C29 | H53 | 109.5° | 109.4° |
H52 | C29 | H54 | 109.4° | 109.5° |
H53 | C29 | H54 | 109.5° | 109.5° |
H55 | C30 | H56 | 109.4° | 109.5° |
H55 | C30 | H57 | 109.5° | 109.5° |
H56 | C30 | H57 | 109.5° | 109.5° |
C31 | N12 | C35 | 111.3° | 108.7° |
N12 | C31 | C32 | 112.3° | 110.9° |
N12 | C31 | C33 | 104.0° | 107.6° |
N12 | C31 | H58 | 110.7° | 109.1° |
C31 | N12 | C26 | 123.5° | 126.3° |
N12 | C35 | C34 | 102.6° | 107.8° |
N12 | C35 | H63 | 111.2° | 109.8° |
N12 | C35 | H64 | 111.2° | 109.8° |
C35 | N12 | C26 | 125.2° | 124.9° |
C32 | C31 | C33 | 110.2° | 110.5° |
C32 | C31 | H58 | 109.8° | 109.6° |
C31 | C32 | O10 | 120.5° | 119.4° |
C31 | C32 | N13 | 117.6° | 121.1° |
C33 | C31 | H58 | 109.7° | 109.2° |
C31 | C33 | C34 | 105.8° | 105.3° |
C31 | C33 | H59 | 110.4° | 110.3° |
C31 | C33 | H60 | 110.4° | 110.3° |
O10 | C32 | N13 | 121.9° | 119.4° |
C34 | C33 | H59 | 110.4° | 110.2° |
C34 | C33 | H60 | 110.4° | 110.3° |
C33 | C34 | C35 | 106.1° | 106.4° |
C33 | C34 | H61 | 110.3° | 110.1° |
C33 | C34 | H62 | 110.3° | 110.1° |
H59 | C33 | H60 | 109.5° | 110.4° |
C35 | C34 | H61 | 110.3° | 110.1° |
C35 | C34 | H62 | 110.3° | 110.1° |
C34 | C35 | H63 | 111.2° | 109.8° |
C34 | C35 | H64 | 111.2° | 109.8° |
H61 | C34 | H62 | 109.5° | 110.0° |
H63 | C35 | H64 | 109.5° | 109.8° |
C36 | N13 | C40 | 111.7° | 109.2° |
N13 | C36 | C37 | 112.3° | 110.4° |
N13 | C36 | C38 | 103.9° | 108.0° |
N13 | C36 | H65 | 110.8° | 109.7° |
C36 | N13 | C32 | 122.8° | 125.3° |
N13 | C40 | C39 | 103.1° | 108.3° |
N13 | C40 | H70 | 111.0° | 109.7° |
N13 | C40 | H71 | 111.0° | 109.8° |
C40 | N13 | C32 | 125.5° | 125.5° |
C37 | C36 | C38 | 109.6° | 109.7° |
C37 | C36 | H65 | 110.0° | 109.4° |
C36 | C37 | O11 | 120.6° | 120.6° |
C36 | C37 | N14 | 116.5° | 118.8° |
C38 | C36 | H65 | 110.0° | 109.7° |
C36 | C38 | C39 | 105.1° | 106.2° |
C36 | C38 | H66 | 110.6° | 110.2° |
C36 | C38 | H67 | 110.6° | 110.1° |
O11 | C37 | N14 | 123.0° | 120.6° |
C39 | C38 | H66 | 110.6° | 110.1° |
C39 | C38 | H67 | 110.6° | 110.1° |
C38 | C39 | C40 | 105.9° | 106.0° |
C38 | C39 | H68 | 110.4° | 110.2° |
C38 | C39 | H69 | 110.3° | 110.2° |
H66 | C38 | H67 | 109.5° | 110.0° |
C40 | C39 | H68 | 110.4° | 110.1° |
C40 | C39 | H69 | 110.4° | 110.2° |
C39 | C40 | H70 | 111.1° | 109.6° |
C39 | C40 | H71 | 111.1° | 109.7° |
H68 | C39 | H69 | 109.4° | 110.1° |
H70 | C40 | H71 | 109.5° | 109.7° |
C41 | N14 | H72 | 119.3° | 120.8° |
N14 | C41 | C42 | 109.4° | 109.0° |
N14 | C41 | C43 | 112.1° | 109.6° |
N14 | C41 | H73 | 109.4° | 109.5° |
C41 | N14 | C37 | 121.4° | 118.4° |
H72 | N14 | C37 | 119.3° | 120.8° |
C42 | C41 | C43 | 109.2° | 109.5° |
C42 | C41 | H73 | 108.5° | 109.5° |
C41 | C42 | O12 | 120.7° | 120.1° |
C41 | C42 | N15 | 116.3° | 119.8° |
C43 | C41 | H73 | 108.2° | 109.7° |
C41 | C43 | C44 | 110.8° | 109.5° |
C41 | C43 | C45 | 110.5° | 109.5° |
C41 | C43 | H74 | 108.2° | 109.5° |
O12 | C42 | N15 | 123.0° | 120.1° |
C44 | C43 | C45 | 110.5° | 109.4° |
C44 | C43 | H74 | 108.3° | 109.5° |
C43 | C44 | C46 | 113.8° | 109.5° |
C43 | C44 | H75 | 108.4° | 109.5° |
C43 | C44 | H76 | 108.4° | 109.5° |
C45 | C43 | H74 | 108.5° | 109.5° |
C43 | C45 | H77 | 109.5° | 109.5° |
C43 | C45 | H78 | 109.5° | 109.4° |
C43 | C45 | H79 | 109.5° | 109.5° |
C46 | C44 | H75 | 108.4° | 109.4° |
C46 | C44 | H76 | 108.4° | 109.5° |
C44 | C46 | H80 | 109.5° | 109.5° |
C44 | C46 | H81 | 109.5° | 109.5° |
C44 | C46 | H82 | 109.5° | 109.5° |
H75 | C44 | H76 | 109.5° | 109.5° |
H77 | C45 | H78 | 109.4° | 109.5° |
H77 | C45 | H79 | 109.4° | 109.5° |
H78 | C45 | H79 | 109.5° | 109.4° |
H80 | C46 | H81 | 109.5° | 109.4° |
H80 | C46 | H82 | 109.4° | 109.4° |
H81 | C46 | H82 | 109.5° | 109.5° |
C47 | N15 | H83 | 119.3° | 120.7° |
N15 | C47 | C48 | 112.1° | 109.5° |
N15 | C47 | C49 | 110.3° | 109.1° |
N15 | C47 | H84 | 108.6° | 109.6° |
C47 | N15 | C42 | 121.3° | 118.6° |
H83 | N15 | C42 | 119.3° | 120.7° |
C48 | C47 | C49 | 110.5° | 109.5° |
C48 | C47 | H84 | 107.7° | 109.5° |
C47 | C48 | O13 | 121.2° | 120.0° |
C47 | C48 | N16 | 115.3° | 120.0° |
C49 | C47 | H84 | 107.6° | 109.6° |
C47 | C49 | S2 | 113.9° | 109.4° |
C47 | C49 | H85 | 108.4° | 109.5° |
C47 | C49 | H86 | 108.4° | 109.5° |
O13 | C48 | N16 | 123.4° | 120.0° |
S2 | C49 | H85 | 108.3° | 109.6° |
S2 | C49 | H86 | 108.4° | 109.5° |
C49 | S2 | S1 | 104.1° | 102.9° |
H85 | C49 | H86 | 109.5° | 109.4° |
C50 | N16 | H87 | 118.6° | 120.0° |
N16 | C50 | C51 | 110.2° | 109.5° |
N16 | C50 | C52 | 111.0° | 109.5° |
N16 | C50 | H88 | 109.4° | 109.4° |
C50 | N16 | C48 | 122.9° | 120.0° |
H87 | N16 | C48 | 118.6° | 120.0° |
C51 | C50 | C52 | 109.2° | 109.5° |
C51 | C50 | H88 | 108.5° | 109.5° |
C50 | C51 | O14 | 120.4° | 120.0° |
C50 | C51 | N17 | 117.4° | 120.0° |
C52 | C50 | H88 | 108.4° | 109.5° |
C50 | C52 | C53 | 114.6° | 109.5° |
C50 | C52 | H89 | 108.2° | 109.5° |
C50 | C52 | H90 | 108.2° | 109.5° |
O14 | C51 | N17 | 122.2° | 120.0° |
C53 | C52 | H89 | 108.2° | 109.5° |
C53 | C52 | H90 | 108.2° | 109.5° |
C52 | C53 | C54 | 120.9° | 120.0° |
C52 | C53 | C55 | 120.4° | 120.0° |
H89 | C52 | H90 | 109.5° | 109.4° |
C54 | C53 | C55 | 118.7° | 120.0° |
C53 | C54 | C56 | 120.8° | 120.0° |
C53 | C54 | H91 | 119.6° | 120.0° |
C53 | C55 | C57 | 120.8° | 120.0° |
C53 | C55 | H92 | 119.6° | 120.0° |
C56 | C54 | H91 | 119.6° | 120.0° |
C54 | C56 | C58 | 119.9° | 120.0° |
C54 | C56 | H93 | 120.0° | 120.0° |
C57 | C55 | H92 | 119.6° | 120.0° |
C55 | C57 | C58 | 119.9° | 120.0° |
C55 | C57 | H94 | 120.1° | 120.0° |
C58 | C56 | H93 | 120.1° | 120.0° |
C56 | C58 | C57 | 119.9° | 120.0° |
C56 | C58 | H95 | 120.1° | 120.0° |
C58 | C57 | H94 | 120.0° | 120.0° |
C57 | C58 | H95 | 120.0° | 120.0° |
C59 | N17 | C63 | 111.4° | 108.7° |
N17 | C59 | C60 | 113.1° | 109.8° |
N17 | C59 | C61 | 104.0° | 107.3° |
N17 | C59 | H96 | 110.3° | 109.9° |
C59 | N17 | C51 | 123.3° | 125.7° |
N17 | C63 | C62 | 102.6° | 104.7° |
N17 | C63 | H101 | 111.2° | 110.4° |
N17 | C63 | H102 | 111.1° | 110.3° |
C63 | N17 | C51 | 125.3° | 125.6° |
C60 | C59 | C61 | 110.5° | 109.9° |
C60 | C59 | H96 | 109.5° | 109.9° |
C59 | C60 | O15 | 120.4° | 120.0° |
C59 | C60 | N18 | 116.7° | 120.0° |
C61 | C59 | H96 | 109.4° | 110.0° |
C59 | C61 | C62 | 105.7° | 103.0° |
C59 | C61 | H97 | 110.4° | 110.7° |
C59 | C61 | H98 | 110.4° | 110.7° |
O15 | C60 | N18 | 122.9° | 120.0° |
C62 | C61 | H97 | 110.4° | 110.7° |
C62 | C61 | H98 | 110.4° | 110.7° |
C61 | C62 | C63 | 106.1° | 101.5° |
C61 | C62 | H99 | 110.3° | 111.1° |
C61 | C62 | H100 | 110.3° | 111.1° |
H97 | C61 | H98 | 109.5° | 110.8° |
C63 | C62 | H99 | 110.3° | 111.2° |
C63 | C62 | H100 | 110.3° | 110.9° |
C62 | C63 | H101 | 111.2° | 110.5° |
C62 | C63 | H102 | 111.2° | 110.4° |
H99 | C62 | H100 | 109.5° | 110.8° |
H101 | C63 | H102 | 109.5° | 110.5° |
C64 | N18 | H103 | 119.2° | 120.0° |
N18 | C64 | C65 | 110.8° | 109.5° |
N18 | C64 | C66 | 110.3° | 109.5° |
N18 | C64 | H104 | 109.1° | 109.5° |
C64 | N18 | C60 | 121.7° | 120.0° |
H103 | N18 | C60 | 119.2° | 120.0° |
C65 | C64 | C66 | 110.1° | 109.5° |
C65 | C64 | H104 | 108.3° | 109.5° |
C64 | C65 | O16 | 118.1° | 120.0° |
C64 | C65 | O19 | 118.5° | 120.0° |
C66 | C64 | H104 | 108.2° | 109.5° |
C64 | C66 | C67 | 112.7° | 109.5° |
C64 | C66 | H105 | 108.7° | 109.5° |
C64 | C66 | H106 | 108.7° | 109.5° |
O16 | C65 | O19 | 123.4° | 120.0° |
C65 | O19 | H108 | 109.5° | 117.0° |
C67 | C66 | H105 | 108.7° | 109.4° |
C67 | C66 | H106 | 108.6° | 109.5° |
C66 | C67 | O17 | 118.4° | 120.0° |
C66 | C67 | O18 | 118.3° | 120.0° |
H105 | C66 | H106 | 109.5° | 109.5° |
O17 | C67 | O18 | 123.2° | 120.0° |
C67 | O18 | H107 | 109.5° | 117.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C1 | N1 | H1 | H2 | 120.0° | 124.0° |
N1 | C1 | C2 | H3 | 120.5° | 120.0° |
N1 | C1 | C2 | H4 | 120.5° | 120.0° |
N1 | C1 | H3 | H4 | 118.6° | 120.0° |
N1 | C1 | C2 | O1 | 46.6° | 0.0° |
N1 | C1 | C2 | N2 | 133.7° | 180.0° |
H1 | N1 | C1 | C2 | 180.0° | 180.0° |
H1 | N1 | C1 | H3 | 59.5° | 60.0° |
H1 | N1 | C1 | H4 | 59.6° | 60.0° |
H2 | N1 | C1 | C2 | 60.0° | 56.0° |
H2 | N1 | C1 | H3 | 60.5° | 64.0° |
H2 | N1 | C1 | H4 | 179.6° | 176.0° |
C2 | C1 | H3 | H4 | 118.6° | 120.0° |
C1 | C2 | O1 | N2 | 179.7° | 180.0° |
C1 | C2 | N2 | C3 | 179.8° | 180.0° |
C1 | C2 | N2 | H5 | 0.2° | 0.0° |
H3 | C1 | C2 | O1 | 167.1° | 120.1° |
H3 | C1 | C2 | N2 | 13.2° | 60.0° |
H4 | C1 | C2 | O1 | 73.9° | 120.0° |
H4 | C1 | C2 | N2 | 105.8° | 60.0° |
O1 | C2 | N2 | C3 | 0.1° | 0.0° |
O1 | C2 | N2 | H5 | 179.9° | 180.0° |
C3 | N2 | H5 | C2 | 180.0° | 180.0° |
N2 | C3 | C4 | C5 | 122.8° | 120.0° |
N2 | C3 | C4 | H6 | 119.4° | 120.0° |
N2 | C3 | C5 | H6 | 119.4° | 120.0° |
N2 | C3 | C4 | O2 | 48.8° | 0.0° |
N2 | C3 | C5 | C6 | 63.9° | 65.0° |
N2 | C3 | C5 | H7 | 175.5° | 55.0° |
N2 | C3 | C5 | H8 | 56.8° | 175.0° |
N2 | C3 | C4 | N6 | 131.3° | 179.9° |
H5 | N2 | C3 | C4 | 103.3° | 95.0° |
H5 | N2 | C3 | C5 | 18.8° | 25.0° |
H5 | N2 | C3 | H6 | 137.8° | 145.1° |
C4 | C3 | C5 | H6 | 117.9° | 120.0° |
C3 | C4 | O2 | N6 | 179.9° | 179.9° |
C4 | C3 | C5 | C6 | 58.8° | 175.0° |
C4 | C3 | C5 | H7 | 61.9° | 65.0° |
C4 | C3 | C5 | H8 | 179.5° | 55.0° |
C3 | C4 | N6 | C9 | 179.8° | 180.0° |
C3 | C4 | N6 | H18 | 0.2° | 0.1° |
C4 | C3 | N2 | C2 | 76.7° | 85.0° |
C5 | C3 | C4 | O2 | 73.9° | 120.0° |
C3 | C5 | C6 | H7 | 120.7° | 120.0° |
C3 | C5 | C6 | H8 | 120.7° | 120.0° |
C3 | C5 | H7 | H8 | 117.9° | 120.0° |
C3 | C5 | C6 | C7 | 172.9° | 180.0° |
C3 | C5 | C6 | H9 | 66.8° | 60.1° |
C3 | C5 | C6 | H10 | 52.7° | 60.0° |
C5 | C3 | N2 | C2 | 161.2° | 155.0° |
C5 | C3 | C4 | N6 | 106.0° | 59.9° |
H6 | C3 | C4 | O2 | 168.2° | 120.0° |
H6 | C3 | C5 | C6 | 176.7° | 55.0° |
H6 | C3 | C5 | H7 | 56.1° | 175.0° |
H6 | C3 | C5 | H8 | 62.6° | 65.0° |
H6 | C3 | N2 | C2 | 42.2° | 35.0° |
H6 | C3 | C4 | N6 | 11.9° | 60.1° |
O2 | C4 | N6 | C9 | 0.3° | 0.1° |
O2 | C4 | N6 | H18 | 179.7° | 180.0° |
C6 | C5 | H7 | H8 | 117.9° | 120.0° |
C5 | C6 | C7 | H9 | 120.2° | 120.0° |
C5 | C6 | C7 | H10 | 120.3° | 120.0° |
C5 | C6 | H9 | H10 | 119.2° | 120.0° |
C5 | C6 | C7 | N3 | 175.6° | 180.0° |
C5 | C6 | C7 | H11 | 63.9° | 60.0° |
C5 | C6 | C7 | H12 | 55.2° | 60.0° |
H7 | C5 | C6 | C7 | 52.3° | 60.0° |
H7 | C5 | C6 | H9 | 172.5° | 179.9° |
H7 | C5 | C6 | H10 | 68.0° | 60.0° |
H8 | C5 | C6 | C7 | 66.4° | 60.0° |
H8 | C5 | C6 | H9 | 53.9° | 59.9° |
H8 | C5 | C6 | H10 | 173.3° | 180.0° |
C7 | C6 | H9 | H10 | 119.2° | 120.0° |
C6 | C7 | N3 | H11 | 120.4° | 120.0° |
C6 | C7 | N3 | H12 | 120.4° | 120.0° |
C6 | C7 | H11 | H12 | 118.7° | 120.0° |
C6 | C7 | N3 | C8 | 179.5° | 180.0° |
C6 | C7 | N3 | H13 | 0.5° | 0.0° |
H9 | C6 | C7 | N3 | 55.4° | 60.0° |
H9 | C6 | C7 | H11 | 175.8° | 180.0° |
H9 | C6 | C7 | H12 | 65.0° | 60.0° |
H10 | C6 | C7 | N3 | 64.1° | 60.0° |
H10 | C6 | C7 | H11 | 56.4° | 60.0° |
H10 | C6 | C7 | H12 | 175.5° | 180.0° |
N3 | C7 | H11 | H12 | 118.7° | 120.0° |
C7 | N3 | C8 | H13 | 180.0° | 180.0° |
C7 | N3 | C8 | N4 | 0.4° | 0.0° |
C7 | N3 | C8 | N5 | 179.7° | 180.0° |
H11 | C7 | N3 | C8 | 59.0° | 60.0° |
H11 | C7 | N3 | H13 | 121.0° | 120.0° |
H12 | C7 | N3 | C8 | 60.1° | 60.0° |
H12 | C7 | N3 | H13 | 119.9° | 120.0° |
N3 | C8 | N4 | N5 | 179.9° | 180.0° |
N3 | C8 | N4 | H14 | 179.9° | 0.1° |
N3 | C8 | N4 | H15 | 0.1° | 180.0° |
N3 | C8 | N5 | H16 | 179.9° | 180.0° |
N3 | C8 | N5 | H17 | 0.1° | 0.0° |
H13 | N3 | C8 | N4 | 179.6° | 180.0° |
H13 | N3 | C8 | N5 | 0.3° | 0.0° |
C8 | N4 | H14 | H15 | 180.0° | 179.9° |
N4 | C8 | N5 | H16 | 0.0° | 0.0° |
N4 | C8 | N5 | H17 | 180.0° | 180.0° |
N5 | C8 | N4 | H14 | 0.0° | 179.9° |
N5 | C8 | N4 | H15 | 180.0° | 0.0° |
C8 | N5 | H16 | H17 | 180.0° | 180.0° |
C9 | N6 | H18 | C4 | 180.0° | 179.9° |
N6 | C9 | C10 | C11 | 122.6° | 120.0° |
N6 | C9 | C10 | H19 | 119.6° | 119.9° |
N6 | C9 | C11 | H19 | 119.1° | 120.0° |
N6 | C9 | C10 | O3 | 44.1° | 167.0° |
N6 | C9 | C11 | S1 | 55.1° | 116.8° |
N6 | C9 | C11 | H20 | 65.6° | 3.2° |
N6 | C9 | C11 | H21 | 175.8° | 123.3° |
N6 | C9 | C10 | N7 | 136.1° | 13.1° |
H18 | N6 | C9 | C10 | 62.8° | 95.0° |
H18 | N6 | C9 | C11 | 59.5° | 25.0° |
H18 | N6 | C9 | H19 | 178.1° | 145.0° |
C10 | C9 | C11 | H19 | 117.8° | 120.0° |
C9 | C10 | O3 | N7 | 179.8° | 179.9° |
C10 | C9 | C11 | S1 | 178.2° | 123.3° |
C10 | C9 | C11 | H20 | 57.5° | 116.7° |
C10 | C9 | C11 | H21 | 61.1° | 3.3° |
C9 | C10 | N7 | C12 | 179.7° | 179.6° |
C9 | C10 | N7 | H22 | 0.3° | 0.3° |
C10 | C9 | N6 | C4 | 117.2° | 85.0° |
C11 | C9 | C10 | O3 | 78.5° | 73.0° |
C9 | C11 | S1 | H20 | 120.7° | 120.0° |
C9 | C11 | S1 | H21 | 120.7° | 119.9° |
C9 | C11 | H20 | H21 | 117.8° | 120.0° |
C11 | C9 | N6 | C4 | 120.5° | 154.9° |
C11 | C9 | C10 | N7 | 101.3° | 106.9° |
C9 | C11 | S1 | S2 | 97.4° | 149.6° |
H19 | C9 | C10 | O3 | 163.7° | 47.1° |
H19 | C9 | C11 | S1 | 64.0° | 3.2° |
H19 | C9 | C11 | H20 | 175.3° | 123.2° |
H19 | C9 | C11 | H21 | 56.7° | 116.7° |
H19 | C9 | N6 | C4 | 1.9° | 34.9° |
H19 | C9 | C10 | N7 | 16.5° | 133.0° |
O3 | C10 | N7 | C12 | 0.1° | 0.5° |
O3 | C10 | N7 | H22 | 179.9° | 179.5° |
S1 | C11 | H20 | H21 | 117.8° | 120.0° |
C11 | S1 | S2 | C49 | 107.7° | 67.7° |
H20 | C11 | S1 | S2 | 141.9° | 29.7° |
H21 | C11 | S1 | S2 | 23.3° | 90.4° |
C12 | N7 | H22 | C10 | 180.0° | 180.0° |
N7 | C12 | C13 | C14 | 123.9° | 119.9° |
N7 | C12 | C13 | H23 | 119.5° | 119.9° |
N7 | C12 | C14 | H23 | 120.0° | 120.2° |
N7 | C12 | C13 | O4 | 19.0° | 30.4° |
N7 | C12 | C14 | O5 | 64.5° | 53.6° |
N7 | C12 | C14 | C15 | 57.0° | 173.6° |
N7 | C12 | C14 | H24 | 175.9° | 66.4° |
N7 | C12 | C13 | N8 | 161.3° | 149.7° |
H22 | N7 | C12 | C13 | 112.2° | 34.9° |
H22 | N7 | C12 | C14 | 9.4° | 154.8° |
H22 | N7 | C12 | H23 | 128.8° | 84.9° |
C13 | C12 | C14 | H23 | 116.8° | 120.2° |
C12 | C13 | O4 | N8 | 179.7° | 179.9° |
C13 | C12 | C14 | O5 | 58.6° | 173.2° |
C13 | C12 | C14 | C15 | 179.8° | 66.8° |
C13 | C12 | C14 | H24 | 61.0° | 53.2° |
C12 | C13 | N8 | C16 | 179.8° | 179.7° |
C12 | C13 | N8 | H29 | 0.2° | 0.3° |
C13 | C12 | N7 | C10 | 67.8° | 145.1° |
C14 | C12 | C13 | O4 | 104.8° | 150.3° |
C12 | C14 | O5 | C15 | 122.7° | 119.9° |
C12 | C14 | O5 | H24 | 118.7° | 120.0° |
C12 | C14 | C15 | H24 | 118.7° | 120.0° |
C12 | C14 | O5 | H25 | 180.0° | 60.0° |
C12 | C14 | C15 | H26 | 180.0° | 141.9° |
C12 | C14 | C15 | H27 | 60.0° | 98.1° |
C12 | C14 | C15 | H28 | 60.0° | 21.9° |
C14 | C12 | N7 | C10 | 170.6° | 25.2° |
C14 | C12 | C13 | N8 | 74.9° | 29.8° |
H23 | C12 | C13 | O4 | 138.5° | 89.5° |
H23 | C12 | C14 | O5 | 175.4° | 66.6° |
H23 | C12 | C14 | C15 | 63.0° | 53.4° |
H23 | C12 | C14 | H24 | 55.9° | 173.4° |
H23 | C12 | N7 | C10 | 51.2° | 95.0° |
H23 | C12 | C13 | N8 | 41.8° | 90.4° |
O4 | C13 | N8 | C16 | 0.0° | 0.4° |
O4 | C13 | N8 | H29 | 180.0° | 179.6° |
O5 | C14 | C15 | H24 | 119.4° | 120.0° |
O5 | C14 | C15 | H26 | 58.0° | 22.0° |
O5 | C14 | C15 | H27 | 178.0° | 141.9° |
O5 | C14 | C15 | H28 | 61.9° | 98.0° |
C15 | C14 | O5 | H25 | 57.3° | 60.0° |
C14 | C15 | H26 | H27 | 120.0° | 120.0° |
C14 | C15 | H26 | H28 | 120.0° | 120.0° |
C14 | C15 | H27 | H28 | 120.0° | 120.0° |
H24 | C14 | O5 | H25 | 61.3° | 180.0° |
H24 | C14 | C15 | H26 | 61.3° | 98.1° |
H24 | C14 | C15 | H27 | 58.7° | 21.9° |
H24 | C14 | C15 | H28 | 178.7° | 141.9° |
H26 | C15 | H27 | H28 | 120.0° | 120.0° |
C16 | N8 | H29 | C13 | 180.0° | 180.0° |
N8 | C16 | C17 | C18 | 123.1° | 119.9° |
N8 | C16 | C17 | H30 | 119.6° | 119.8° |
N8 | C16 | C18 | H30 | 118.6° | 120.2° |
N8 | C16 | C17 | O6 | 153.0° | 57.7° |
N8 | C16 | C18 | C19 | 75.5° | 65.0° |
N8 | C16 | C18 | H31 | 163.7° | 55.1° |
N8 | C16 | C18 | H32 | 45.2° | 175.0° |
N8 | C16 | C17 | N10 | 27.7° | 122.2° |
H29 | N8 | C16 | C17 | 98.9° | 38.4° |
H29 | N8 | C16 | C18 | 24.0° | 81.5° |
H29 | N8 | C16 | H30 | 142.0° | 158.2° |
C17 | C16 | C18 | H30 | 117.3° | 120.3° |
C16 | C17 | O6 | N10 | 179.3° | 179.9° |
C17 | C16 | C18 | C19 | 48.6° | 175.5° |
C17 | C16 | C18 | H31 | 72.2° | 64.5° |
C17 | C16 | C18 | H32 | 169.4° | 55.5° |
C16 | C17 | N10 | C22 | 179.5° | 177.7° |
C16 | C17 | N10 | H42 | 0.5° | 2.2° |
C17 | C16 | N8 | C13 | 81.0° | 141.6° |
C18 | C16 | C17 | O6 | 29.9° | 62.2° |
C16 | C18 | C19 | H31 | 120.8° | 120.0° |
C16 | C18 | C19 | H32 | 120.8° | 120.0° |
C16 | C18 | H31 | H32 | 117.5° | 120.0° |
C16 | C18 | C19 | C20 | 61.2° | 180.0° |
C16 | C18 | C19 | H33 | 59.3° | 60.0° |
C16 | C18 | C19 | H34 | 178.4° | 60.0° |
C18 | C16 | N8 | C13 | 156.0° | 98.5° |
C18 | C16 | C17 | N10 | 150.8° | 117.9° |
H30 | C16 | C17 | O6 | 87.4° | 177.5° |
H30 | C16 | C18 | C19 | 165.9° | 55.2° |
H30 | C16 | C18 | H31 | 45.1° | 175.3° |
H30 | C16 | C18 | H32 | 73.3° | 64.8° |
H30 | C16 | N8 | C13 | 38.0° | 21.8° |
H30 | C16 | C17 | N10 | 91.9° | 2.4° |
O6 | C17 | N10 | C22 | 0.2° | 2.2° |
O6 | C17 | N10 | H42 | 179.8° | 177.8° |
C19 | C18 | H31 | H32 | 117.5° | 120.0° |
C18 | C19 | C20 | H33 | 120.4° | 120.0° |
C18 | C19 | C20 | H34 | 120.5° | 120.0° |
C18 | C19 | H33 | H34 | 118.6° | 120.0° |
C18 | C19 | C20 | C21 | 176.6° | 180.0° |
C18 | C19 | C20 | H35 | 56.3° | 60.0° |
C18 | C19 | C20 | H36 | 63.1° | 60.0° |
H31 | C18 | C19 | C20 | 178.0° | 60.0° |
H31 | C18 | C19 | H33 | 61.5° | 180.0° |
H31 | C18 | C19 | H34 | 57.6° | 60.0° |
H32 | C18 | C19 | C20 | 59.6° | 60.0° |
H32 | C18 | C19 | H33 | 179.9° | 60.0° |
H32 | C18 | C19 | H34 | 60.8° | 180.0° |
C20 | C19 | H33 | H34 | 118.6° | 120.0° |
C19 | C20 | C21 | H35 | 120.3° | 120.0° |
C19 | C20 | C21 | H36 | 120.3° | 120.0° |
C19 | C20 | H35 | H36 | 119.0° | 120.0° |
C19 | C20 | C21 | N9 | 178.7° | 180.0° |
C19 | C20 | C21 | H37 | 60.9° | 60.0° |
C19 | C20 | C21 | H38 | 58.3° | 60.0° |
H33 | C19 | C20 | C21 | 63.0° | 60.0° |
H33 | C19 | C20 | H35 | 176.7° | 180.0° |
H33 | C19 | C20 | H36 | 57.3° | 60.0° |
H34 | C19 | C20 | C21 | 56.1° | 60.0° |
H34 | C19 | C20 | H35 | 64.2° | 60.0° |
H34 | C19 | C20 | H36 | 176.5° | 180.0° |
C21 | C20 | H35 | H36 | 119.0° | 120.0° |
C20 | C21 | N9 | H37 | 120.4° | 120.0° |
C20 | C21 | N9 | H38 | 120.4° | 120.0° |
C20 | C21 | H37 | H38 | 118.9° | 120.0° |
C20 | C21 | N9 | H39 | 180.0° | 60.0° |
C20 | C21 | N9 | H40 | 60.0° | 180.0° |
C20 | C21 | N9 | H41 | 60.0° | 60.0° |
H35 | C20 | C21 | N9 | 58.4° | 59.9° |
H35 | C20 | C21 | H37 | 178.7° | 180.0° |
H35 | C20 | C21 | H38 | 62.0° | 60.0° |
H36 | C20 | C21 | N9 | 61.0° | 60.1° |
H36 | C20 | C21 | H37 | 59.4° | 60.0° |
H36 | C20 | C21 | H38 | 178.6° | 180.0° |
N9 | C21 | H37 | H38 | 118.8° | 120.0° |
C21 | N9 | H39 | H40 | 120.0° | 120.0° |
C21 | N9 | H39 | H41 | 120.0° | 120.0° |
C21 | N9 | H40 | H41 | 120.0° | 120.0° |
H37 | C21 | N9 | H39 | 59.6° | 60.0° |
H37 | C21 | N9 | H40 | 179.6° | 60.0° |
H37 | C21 | N9 | H41 | 60.4° | 179.9° |
H38 | C21 | N9 | H39 | 59.6° | 180.0° |
H38 | C21 | N9 | H40 | 60.4° | 60.0° |
H38 | C21 | N9 | H41 | 179.6° | 60.0° |
H39 | N9 | H40 | H41 | 120.0° | 120.0° |
C22 | N10 | H42 | C17 | 180.0° | 180.0° |
N10 | C22 | C23 | C24 | 122.3° | 119.9° |
N10 | C22 | C23 | H43 | 119.7° | 119.9° |
N10 | C22 | C24 | H43 | 119.3° | 120.2° |
N10 | C22 | C23 | O7 | 2.3° | 61.7° |
N10 | C22 | C24 | O8 | 62.7° | 65.0° |
N10 | C22 | C24 | H44 | 177.0° | 55.0° |
N10 | C22 | C24 | H45 | 57.6° | 175.0° |
N10 | C22 | C23 | N11 | 177.4° | 118.3° |
H42 | N10 | C22 | C23 | 70.3° | 18.0° |
H42 | N10 | C22 | C24 | 51.7° | 101.9° |
H42 | N10 | C22 | H43 | 170.5° | 137.9° |
C23 | C22 | C24 | H43 | 118.0° | 120.1° |
C22 | C23 | O7 | N11 | 179.6° | 180.0° |
C23 | C22 | C24 | O8 | 60.0° | 175.2° |
C23 | C22 | C24 | H44 | 60.3° | 64.8° |
C23 | C22 | C24 | H45 | 179.8° | 55.2° |
C22 | C23 | N11 | C25 | 179.6° | 178.7° |
C22 | C23 | N11 | H47 | 0.4° | 1.3° |
C23 | C22 | N10 | C17 | 109.7° | 162.0° |
C24 | C22 | C23 | O7 | 124.6° | 178.3° |
C22 | C24 | O8 | H44 | 120.3° | 120.0° |
C22 | C24 | O8 | H45 | 120.3° | 120.0° |
C22 | C24 | H44 | H45 | 119.1° | 120.0° |
C22 | C24 | O8 | H46 | 180.0° | 180.0° |
C24 | C22 | N10 | C17 | 128.3° | 78.1° |
C24 | C22 | C23 | N11 | 55.1° | 1.6° |
H43 | C22 | C23 | O7 | 117.5° | 58.2° |
H43 | C22 | C24 | O8 | 177.9° | 55.1° |
H43 | C22 | C24 | H44 | 57.7° | 175.1° |
H43 | C22 | C24 | H45 | 61.8° | 64.9° |
H43 | C22 | N10 | C17 | 9.5° | 42.1° |
H43 | C22 | C23 | N11 | 62.9° | 121.8° |
O7 | C23 | N11 | C25 | 0.0° | 1.2° |
O7 | C23 | N11 | H47 | 180.0° | 178.7° |
O8 | C24 | H44 | H45 | 119.2° | 120.1° |
H44 | C24 | O8 | H46 | 59.7° | 60.0° |
H45 | C24 | O8 | H46 | 59.8° | 60.0° |
C25 | N11 | H47 | C23 | 180.0° | 179.9° |
N11 | C25 | C26 | C27 | 123.5° | 120.1° |
N11 | C25 | C26 | H48 | 119.4° | 120.2° |
N11 | C25 | C27 | H48 | 120.2° | 119.7° |
N11 | C25 | C26 | O9 | 64.5° | 71.9° |
N11 | C25 | C27 | C28 | 58.7° | 59.3° |
N11 | C25 | C27 | C29 | 178.6° | 179.2° |
N11 | C25 | C27 | H49 | 60.1° | 60.7° |
N11 | C25 | C26 | N12 | 115.9° | 108.1° |
H47 | N11 | C25 | C26 | 38.7° | 20.3° |
H47 | N11 | C25 | C27 | 82.9° | 99.8° |
H47 | N11 | C25 | H48 | 157.5° | 140.6° |
C26 | C25 | C27 | H48 | 117.2° | 119.8° |
C25 | C26 | O9 | N12 | 179.6° | 180.0° |
C26 | C25 | C27 | C28 | 178.7° | 179.7° |
C26 | C25 | C27 | C29 | 56.1° | 60.3° |
C26 | C25 | C27 | H49 | 62.5° | 59.8° |
C25 | C26 | N12 | C31 | 0.4° | 170.9° |
C25 | C26 | N12 | C35 | 180.0° | 9.7° |
C26 | C25 | N11 | C23 | 141.4° | 159.6° |
C27 | C25 | C26 | O9 | 59.0° | 168.0° |
C25 | C27 | C28 | C29 | 122.8° | 120.0° |
C25 | C27 | C28 | H49 | 118.7° | 120.0° |
C25 | C27 | C29 | H49 | 118.3° | 120.0° |
C25 | C27 | C28 | C30 | 75.9° | 78.6° |
C25 | C27 | C28 | H50 | 163.4° | 161.4° |
C25 | C27 | C28 | H51 | 44.8° | 41.5° |
C25 | C27 | C29 | H52 | 180.0° | 78.5° |
C25 | C27 | C29 | H53 | 60.0° | 161.5° |
C25 | C27 | C29 | H54 | 60.0° | 41.5° |
C27 | C25 | N11 | C23 | 97.1° | 80.3° |
C27 | C25 | C26 | N12 | 120.6° | 12.0° |
H48 | C25 | C26 | O9 | 176.1° | 48.3° |
H48 | C25 | C27 | C28 | 61.5° | 60.5° |
H48 | C25 | C27 | C29 | 61.1° | 59.5° |
H48 | C25 | C27 | H49 | 179.7° | 179.6° |
H48 | C25 | N11 | C23 | 22.5° | 39.4° |
H48 | C25 | C26 | N12 | 3.5° | 131.7° |
O9 | C26 | N12 | C31 | 179.9° | 9.0° |
O9 | C26 | N12 | C35 | 0.4° | 170.3° |
C28 | C27 | C29 | H49 | 118.3° | 120.0° |
C27 | C28 | C30 | H50 | 120.7° | 120.0° |
C27 | C28 | C30 | H51 | 120.7° | 120.0° |
C27 | C28 | H50 | H51 | 117.9° | 120.0° |
C28 | C27 | C29 | H52 | 56.6° | 41.5° |
C28 | C27 | C29 | H53 | 176.7° | 78.5° |
C28 | C27 | C29 | H54 | 63.3° | 161.5° |
C27 | C28 | C30 | H55 | 180.0° | 165.1° |
C27 | C28 | C30 | H56 | 60.0° | 45.2° |
C27 | C28 | C30 | H57 | 60.0° | 74.9° |
C29 | C27 | C28 | C30 | 161.3° | 161.5° |
C29 | C27 | C28 | H50 | 40.6° | 41.4° |
C29 | C27 | C28 | H51 | 78.0° | 78.5° |
C27 | C29 | H52 | H53 | 120.0° | 120.0° |
C27 | C29 | H52 | H54 | 120.0° | 120.0° |
C27 | C29 | H53 | H54 | 120.0° | 120.0° |
H49 | C27 | C28 | C30 | 42.9° | 41.4° |
H49 | C27 | C28 | H50 | 77.8° | 78.6° |
H49 | C27 | C28 | H51 | 163.5° | 161.5° |
H49 | C27 | C29 | H52 | 61.7° | 161.4° |
H49 | C27 | C29 | H53 | 58.3° | 41.5° |
H49 | C27 | C29 | H54 | 178.4° | 78.5° |
C30 | C28 | H50 | H51 | 117.9° | 120.0° |
C28 | C30 | H55 | H56 | 120.0° | 120.0° |
C28 | C30 | H55 | H57 | 120.0° | 120.0° |
C28 | C30 | H56 | H57 | 120.0° | 120.0° |
H50 | C28 | C30 | H55 | 59.3° | 74.9° |
H50 | C28 | C30 | H56 | 179.3° | 165.2° |
H50 | C28 | C30 | H57 | 60.7° | 45.1° |
H51 | C28 | C30 | H55 | 59.3° | 45.1° |
H51 | C28 | C30 | H56 | 60.6° | 74.9° |
H51 | C28 | C30 | H57 | 179.4° | 165.1° |
H52 | C29 | H53 | H54 | 119.9° | 120.0° |
H55 | C30 | H56 | H57 | 120.0° | 120.1° |
C31 | N12 | C35 | C26 | 179.6° | 179.5° |
N12 | C31 | C32 | C33 | 115.5° | 119.2° |
N12 | C31 | C32 | H58 | 123.6° | 120.5° |
N12 | C31 | C33 | H58 | 118.5° | 118.2° |
N12 | C31 | C32 | O10 | 41.2° | 19.8° |
N12 | C31 | C33 | C34 | 10.2° | 17.9° |
N12 | C31 | C33 | H59 | 109.2° | 100.9° |
N12 | C31 | C33 | H60 | 129.6° | 136.9° |
C31 | N12 | C35 | C34 | 26.6° | 16.3° |
C31 | N12 | C35 | H63 | 145.5° | 103.4° |
C31 | N12 | C35 | H64 | 92.3° | 135.9° |
N12 | C31 | C32 | N13 | 138.9° | 160.2° |
C35 | N12 | C31 | C32 | 108.7° | 142.4° |
C35 | N12 | C31 | C33 | 10.4° | 21.5° |
C35 | N12 | C31 | H58 | 128.2° | 96.8° |
N12 | C35 | C34 | C33 | 32.2° | 4.6° |
N12 | C35 | C34 | H63 | 118.9° | 119.6° |
N12 | C35 | C34 | H64 | 118.9° | 119.6° |
N12 | C35 | C34 | H61 | 151.7° | 114.7° |
N12 | C35 | C34 | H62 | 87.3° | 123.9° |
N12 | C35 | H63 | H64 | 123.2° | 120.8° |
C32 | C31 | C33 | H58 | 121.0° | 120.6° |
C31 | C32 | O10 | N13 | 179.9° | 180.0° |
C32 | C31 | C33 | C34 | 130.8° | 139.1° |
C32 | C31 | C33 | H59 | 11.4° | 20.3° |
C32 | C31 | C33 | H60 | 109.8° | 101.9° |
C31 | C32 | N13 | C36 | 179.8° | 167.8° |
C31 | C32 | N13 | C40 | 0.1° | 12.8° |
C32 | C31 | N12 | C26 | 70.9° | 37.0° |
C33 | C31 | C32 | O10 | 74.3° | 139.0° |
C31 | C33 | C34 | H59 | 119.4° | 118.9° |
C31 | C33 | C34 | H60 | 119.4° | 119.0° |
C31 | C33 | H59 | H60 | 121.7° | 122.2° |
C31 | C33 | C34 | C35 | 26.7° | 8.0° |
C31 | C33 | C34 | H61 | 146.1° | 127.2° |
C31 | C33 | C34 | H62 | 92.8° | 111.3° |
C33 | C31 | N12 | C26 | 170.0° | 158.0° |
C33 | C31 | C32 | N13 | 105.6° | 41.0° |
H58 | C31 | C32 | O10 | 164.8° | 100.7° |
H58 | C31 | C33 | C34 | 108.2° | 100.3° |
H58 | C31 | C33 | H59 | 132.4° | 140.9° |
H58 | C31 | C33 | H60 | 11.2° | 18.6° |
H58 | C31 | N12 | C26 | 52.2° | 83.7° |
H58 | C31 | C32 | N13 | 15.3° | 79.4° |
O10 | C32 | N13 | C36 | 0.1° | 12.2° |
O10 | C32 | N13 | C40 | 179.8° | 167.2° |
C34 | C33 | H59 | H60 | 121.7° | 122.0° |
C33 | C34 | C35 | H61 | 119.4° | 119.3° |
C33 | C34 | C35 | H62 | 119.5° | 119.3° |
C33 | C34 | H61 | H62 | 121.6° | 121.6° |
C33 | C34 | C35 | H63 | 151.1° | 114.9° |
C33 | C34 | C35 | H64 | 86.7° | 124.2° |
H59 | C33 | C34 | C35 | 92.7° | 110.9° |
H59 | C33 | C34 | H61 | 26.7° | 8.3° |
H59 | C33 | C34 | H62 | 147.8° | 129.8° |
H60 | C33 | C34 | C35 | 146.1° | 126.9° |
H60 | C33 | C34 | H61 | 94.4° | 113.8° |
H60 | C33 | C34 | H62 | 26.6° | 7.7° |
C35 | C34 | H61 | H62 | 121.5° | 121.4° |
C34 | C35 | H63 | H64 | 123.2° | 120.8° |
C34 | C35 | N12 | C26 | 153.8° | 163.2° |
H61 | C34 | C35 | H63 | 89.5° | 125.7° |
H61 | C34 | C35 | H64 | 32.8° | 4.9° |
H62 | C34 | C35 | H63 | 31.6° | 4.3° |
H62 | C34 | C35 | H64 | 153.9° | 116.5° |
H63 | C35 | N12 | C26 | 34.9° | 77.2° |
H64 | C35 | N12 | C26 | 87.3° | 43.6° |
C36 | N13 | C40 | C32 | 179.7° | 179.5° |
N13 | C36 | C37 | C38 | 114.9° | 118.9° |
N13 | C36 | C37 | H65 | 124.0° | 120.7° |
N13 | C36 | C38 | H65 | 118.6° | 119.5° |
N13 | C36 | C37 | O11 | 46.9° | 11.4° |
N13 | C36 | C38 | C39 | 20.4° | 10.8° |
N13 | C36 | C38 | H66 | 139.7° | 130.1° |
N13 | C36 | C38 | H67 | 98.9° | 108.4° |
C36 | N13 | C40 | C39 | 17.8° | 14.4° |
C36 | N13 | C40 | H70 | 101.2° | 134.1° |
C36 | N13 | C40 | H71 | 136.8° | 105.4° |
N13 | C36 | C37 | N14 | 133.9° | 168.6° |
C40 | N13 | C36 | C37 | 117.0° | 104.1° |
C40 | N13 | C36 | C38 | 1.4° | 15.8° |
C40 | N13 | C36 | H65 | 119.4° | 135.3° |
N13 | C40 | C39 | C38 | 30.5° | 7.3° |
N13 | C40 | C39 | H70 | 119.0° | 119.7° |
N13 | C40 | C39 | H71 | 119.0° | 119.8° |
N13 | C40 | C39 | H68 | 89.0° | 126.4° |
N13 | C40 | C39 | H69 | 149.9° | 111.9° |
N13 | C40 | H70 | H71 | 122.9° | 120.7° |
C37 | C36 | C38 | H65 | 121.1° | 120.2° |
C36 | C37 | O11 | N14 | 179.1° | 180.0° |
C37 | C36 | C38 | C39 | 99.9° | 109.5° |
C37 | C36 | C38 | H66 | 19.5° | 9.8° |
C37 | C36 | C38 | H67 | 140.8° | 131.3° |
C36 | C37 | N14 | C41 | 179.1° | 179.6° |
C36 | C37 | N14 | H72 | 0.9° | 0.3° |
C37 | C36 | N13 | C32 | 62.7° | 75.4° |
C38 | C36 | C37 | O11 | 68.0° | 107.5° |
C36 | C38 | C39 | H66 | 119.3° | 119.3° |
C36 | C38 | C39 | H67 | 119.3° | 119.2° |
C36 | C38 | H66 | H67 | 122.0° | 121.6° |
C36 | C38 | C39 | C40 | 32.0° | 2.2° |
C36 | C38 | C39 | H68 | 87.5° | 117.0° |
C36 | C38 | C39 | H69 | 151.5° | 121.3° |
C38 | C36 | N13 | C32 | 178.9° | 164.7° |
C38 | C36 | C37 | N14 | 111.1° | 72.5° |
H65 | C36 | C37 | O11 | 170.9° | 132.1° |
H65 | C36 | C38 | C39 | 139.0° | 130.3° |
H65 | C36 | C38 | H66 | 101.7° | 110.4° |
H65 | C36 | C38 | H67 | 19.7° | 11.1° |
H65 | C36 | N13 | C32 | 60.9° | 45.2° |
H65 | C36 | C37 | N14 | 9.9° | 47.9° |
O11 | C37 | N14 | C41 | 0.1° | 0.4° |
O11 | C37 | N14 | H72 | 179.9° | 179.6° |
C39 | C38 | H66 | H67 | 122.0° | 121.6° |
C38 | C39 | C40 | H68 | 119.5° | 119.2° |
C38 | C39 | C40 | H69 | 119.4° | 119.2° |
C38 | C39 | H68 | H69 | 121.6° | 121.8° |
C38 | C39 | C40 | H70 | 88.5° | 127.0° |
C38 | C39 | C40 | H71 | 149.4° | 112.6° |
H66 | C38 | C39 | C40 | 151.3° | 121.4° |
H66 | C38 | C39 | H68 | 31.9° | 2.3° |
H66 | C38 | C39 | H69 | 89.2° | 119.4° |
H67 | C38 | C39 | C40 | 87.3° | 117.1° |
H67 | C38 | C39 | H68 | 153.2° | 123.8° |
H67 | C38 | C39 | H69 | 32.2° | 2.1° |
C40 | C39 | H68 | H69 | 121.6° | 121.7° |
C39 | C40 | H70 | H71 | 123.0° | 120.5° |
C39 | C40 | N13 | C32 | 161.9° | 166.1° |
H68 | C39 | C40 | H70 | 152.0° | 113.9° |
H68 | C39 | C40 | H71 | 30.0° | 6.6° |
H69 | C39 | C40 | H70 | 30.9° | 7.8° |
H69 | C39 | C40 | H71 | 91.1° | 128.3° |
H70 | C40 | N13 | C32 | 79.1° | 46.4° |
H71 | C40 | N13 | C32 | 42.9° | 74.2° |
C41 | N14 | H72 | C37 | 180.0° | 180.0° |
N14 | C41 | C42 | C43 | 123.0° | 119.9° |
N14 | C41 | C42 | H73 | 119.3° | 119.8° |
N14 | C41 | C43 | H73 | 120.7° | 120.2° |
N14 | C41 | C42 | O12 | 80.5° | 10.8° |
N14 | C41 | C43 | C44 | 48.6° | 176.6° |
N14 | C41 | C43 | C45 | 171.4° | 56.6° |
N14 | C41 | C43 | H74 | 70.0° | 63.4° |
N14 | C41 | C42 | N15 | 98.1° | 169.2° |
H72 | N14 | C41 | C42 | 101.2° | 37.9° |
H72 | N14 | C41 | C43 | 20.1° | 157.7° |
H72 | N14 | C41 | H73 | 140.1° | 81.9° |
C42 | C41 | C43 | H73 | 117.9° | 120.2° |
C41 | C42 | O12 | N15 | 178.6° | 180.0° |
C42 | C41 | C43 | C44 | 170.0° | 57.0° |
C42 | C41 | C43 | C45 | 67.2° | 63.0° |
C42 | C41 | C43 | H74 | 51.4° | 177.0° |
C41 | C42 | N15 | C47 | 178.8° | 179.6° |
C41 | C42 | N15 | H83 | 1.2° | 0.5° |
C42 | C41 | N14 | C37 | 78.8° | 142.1° |
C43 | C41 | C42 | O12 | 42.5° | 109.1° |
C41 | C43 | C44 | C45 | 122.8° | 120.0° |
C41 | C43 | C44 | H74 | 118.5° | 120.0° |
C41 | C43 | C45 | H74 | 118.4° | 120.0° |
C41 | C43 | C44 | C46 | 56.1° | 175.0° |
C41 | C43 | C44 | H75 | 64.5° | 65.0° |
C41 | C43 | C44 | H76 | 176.8° | 55.0° |
C41 | C43 | C45 | H77 | 180.0° | 180.0° |
C41 | C43 | C45 | H78 | 60.0° | 60.0° |
C41 | C43 | C45 | H79 | 60.0° | 60.0° |
C43 | C41 | N14 | C37 | 159.9° | 22.2° |
C43 | C41 | C42 | N15 | 138.8° | 70.9° |
H73 | C41 | C42 | O12 | 160.2° | 130.6° |
H73 | C41 | C43 | C44 | 72.1° | 63.2° |
H73 | C41 | C43 | C45 | 50.7° | 176.8° |
H73 | C41 | C43 | H74 | 169.3° | 56.8° |
H73 | C41 | N14 | C37 | 39.9° | 98.1° |
H73 | C41 | C42 | N15 | 21.1° | 49.4° |
O12 | C42 | N15 | C47 | 0.1° | 0.4° |
O12 | C42 | N15 | H83 | 179.8° | 179.6° |
C44 | C43 | C45 | H74 | 118.6° | 120.0° |
C43 | C44 | C46 | H75 | 120.7° | 120.0° |
C43 | C44 | C46 | H76 | 120.6° | 120.0° |
C43 | C44 | H75 | H76 | 118.0° | 120.0° |
C44 | C43 | C45 | H77 | 57.0° | 60.0° |
C44 | C43 | C45 | H78 | 177.0° | 180.0° |
C44 | C43 | C45 | H79 | 63.0° | 60.0° |
C43 | C44 | C46 | H80 | 180.0° | 180.0° |
C43 | C44 | C46 | H81 | 60.0° | 60.0° |
C43 | C44 | C46 | H82 | 60.0° | 60.0° |
C45 | C43 | C44 | C46 | 66.7° | 65.0° |
C45 | C43 | C44 | H75 | 172.7° | 55.0° |
C45 | C43 | C44 | H76 | 54.0° | 175.0° |
C43 | C45 | H77 | H78 | 120.0° | 120.0° |
C43 | C45 | H77 | H79 | 120.0° | 120.0° |
C43 | C45 | H78 | H79 | 120.0° | 120.0° |
H74 | C43 | C44 | C46 | 174.6° | 55.0° |
H74 | C43 | C44 | H75 | 54.0° | 175.0° |
H74 | C43 | C44 | H76 | 64.7° | 65.0° |
H74 | C43 | C45 | H77 | 61.6° | 60.0° |
H74 | C43 | C45 | H78 | 58.4° | 60.1° |
H74 | C43 | C45 | H79 | 178.4° | 180.0° |
C46 | C44 | H75 | H76 | 118.0° | 120.0° |
C44 | C46 | H80 | H81 | 120.0° | 120.0° |
C44 | C46 | H80 | H82 | 120.0° | 120.0° |
C44 | C46 | H81 | H82 | 120.0° | 120.0° |
H75 | C44 | C46 | H80 | 59.3° | 60.0° |
H75 | C44 | C46 | H81 | 179.3° | 180.0° |
H75 | C44 | C46 | H82 | 60.7° | 60.0° |
H76 | C44 | C46 | H80 | 59.4° | 60.0° |
H76 | C44 | C46 | H81 | 60.6° | 60.0° |
H76 | C44 | C46 | H82 | 179.4° | 180.0° |
H77 | C45 | H78 | H79 | 119.9° | 120.0° |
H80 | C46 | H81 | H82 | 120.0° | 119.9° |
C47 | N15 | H83 | C42 | 180.0° | 179.9° |
N15 | C47 | C48 | C49 | 123.4° | 119.7° |
N15 | C47 | C48 | H84 | 119.3° | 120.2° |
N15 | C47 | C49 | H84 | 118.2° | 120.0° |
N15 | C47 | C48 | O13 | 64.3° | 72.3° |
N15 | C47 | C49 | S2 | 63.2° | 170.2° |
N15 | C47 | C49 | H85 | 57.4° | 50.1° |
N15 | C47 | C49 | H86 | 176.1° | 69.8° |
N15 | C47 | C48 | N16 | 116.7° | 107.8° |
H83 | N15 | C47 | C48 | 91.3° | 179.1° |
H83 | N15 | C47 | C49 | 32.3° | 59.2° |
H83 | N15 | C47 | H84 | 149.9° | 60.8° |
C48 | C47 | C49 | H84 | 117.3° | 120.1° |
C47 | C48 | O13 | N16 | 179.0° | 180.0° |
C48 | C47 | C49 | S2 | 172.3° | 69.9° |
C48 | C47 | C49 | H85 | 67.1° | 170.0° |
C48 | C47 | C49 | H86 | 51.7° | 50.1° |
C47 | C48 | N16 | C50 | 179.0° | 175.1° |
C47 | C48 | N16 | H87 | 1.0° | 4.8° |
C48 | C47 | N15 | C42 | 88.8° | 1.0° |
C49 | C47 | C48 | O13 | 59.1° | 47.4° |
C47 | C49 | S2 | H85 | 120.7° | 120.1° |
C47 | C49 | S2 | H86 | 120.7° | 120.0° |
C47 | C49 | H85 | H86 | 118.0° | 119.9° |
C47 | C49 | S2 | S1 | 74.5° | 180.0° |
C49 | C47 | N15 | C42 | 147.7° | 120.9° |
C49 | C47 | C48 | N16 | 119.9° | 132.6° |
H84 | C47 | C48 | O13 | 176.4° | 167.6° |
H84 | C47 | C49 | S2 | 55.0° | 50.2° |
H84 | C47 | C49 | H85 | 175.7° | 69.9° |
H84 | C47 | C49 | H86 | 65.6° | 170.2° |
H84 | C47 | N15 | C42 | 30.1° | 119.1° |
H84 | C47 | C48 | N16 | 2.7° | 12.4° |
O13 | C48 | N16 | C50 | 0.0° | 4.9° |
O13 | C48 | N16 | H87 | 180.0° | 175.2° |
S2 | C49 | H85 | H86 | 118.0° | 120.0° |
H85 | C49 | S2 | S1 | 164.8° | 60.0° |
H86 | C49 | S2 | S1 | 46.1° | 60.0° |
C50 | N16 | H87 | C48 | 180.0° | 180.0° |
N16 | C50 | C51 | C52 | 122.2° | 120.0° |
N16 | C50 | C51 | H88 | 119.8° | 119.9° |
N16 | C50 | C52 | H88 | 120.2° | 120.0° |
N16 | C50 | C51 | O14 | 35.5° | 43.9° |
N16 | C50 | C52 | C53 | 57.5° | 54.0° |
N16 | C50 | C52 | H89 | 63.3° | 174.1° |
N16 | C50 | C52 | H90 | 178.2° | 66.0° |
N16 | C50 | C51 | N17 | 145.1° | 136.0° |
H87 | N16 | C50 | C51 | 85.5° | 29.9° |
H87 | N16 | C50 | C52 | 35.6° | 90.1° |
H87 | N16 | C50 | H88 | 155.2° | 149.8° |
C51 | C50 | C52 | H88 | 118.1° | 120.0° |
C50 | C51 | O14 | N17 | 179.3° | 180.0° |
C51 | C50 | C52 | C53 | 179.2° | 65.9° |
C51 | C50 | C52 | H89 | 58.4° | 54.1° |
C51 | C50 | C52 | H90 | 60.1° | 174.0° |
C50 | C51 | N17 | C59 | 179.7° | 168.4° |
C50 | C51 | N17 | C63 | 0.3° | 11.2° |
C51 | C50 | N16 | C48 | 94.4° | 150.2° |
C52 | C50 | C51 | O14 | 86.7° | 76.1° |
C50 | C52 | C53 | H89 | 120.8° | 120.0° |
C50 | C52 | C53 | H90 | 120.7° | 120.0° |
C50 | C52 | H89 | H90 | 117.7° | 120.0° |
C50 | C52 | C53 | C54 | 66.9° | 95.2° |
C50 | C52 | C53 | C55 | 113.9° | 85.0° |
C52 | C50 | N16 | C48 | 144.4° | 89.8° |
C52 | C50 | C51 | N17 | 92.7° | 104.0° |
H88 | C50 | C51 | O14 | 155.3° | 163.9° |
H88 | C50 | C52 | C53 | 62.7° | 174.0° |
H88 | C50 | C52 | H89 | 176.5° | 65.9° |
H88 | C50 | C52 | H90 | 58.0° | 54.0° |
H88 | C50 | N16 | C48 | 24.8° | 30.2° |
H88 | C50 | C51 | N17 | 25.4° | 16.1° |
O14 | C51 | N17 | C59 | 0.4° | 11.6° |
O14 | C51 | N17 | C63 | 179.1° | 168.8° |
C53 | C52 | H89 | H90 | 117.7° | 120.0° |
C52 | C53 | C54 | C55 | 179.2° | 179.8° |
C52 | C53 | C54 | C56 | 179.5° | 180.0° |
C52 | C53 | C54 | H91 | 0.5° | 0.1° |
C52 | C53 | C55 | C57 | 179.5° | 180.0° |
C52 | C53 | C55 | H92 | 0.5° | 0.0° |
H89 | C52 | C53 | C54 | 53.9° | 24.9° |
H89 | C52 | C53 | C55 | 125.3° | 154.9° |
H90 | C52 | C53 | C54 | 172.4° | 144.8° |
H90 | C52 | C53 | C55 | 6.8° | 35.0° |
C53 | C54 | C56 | H91 | 180.0° | 180.0° |
C54 | C53 | C55 | C57 | 0.2° | 0.3° |
C54 | C53 | C55 | H92 | 179.8° | 179.8° |
C53 | C54 | C56 | C58 | 0.1° | 0.0° |
C53 | C54 | C56 | H93 | 179.9° | 180.0° |
C55 | C53 | C54 | C56 | 0.3° | 0.2° |
C55 | C53 | C54 | H91 | 179.7° | 179.7° |
C53 | C55 | C57 | H92 | 180.0° | 180.0° |
C53 | C55 | C57 | C58 | 0.1° | 0.0° |
C53 | C55 | C57 | H94 | 179.9° | 180.0° |
C54 | C56 | C58 | H93 | 180.0° | 180.0° |
C54 | C56 | C58 | C57 | 0.0° | 0.3° |
C54 | C56 | C58 | H95 | 180.0° | 180.0° |
H91 | C54 | C56 | C58 | 179.9° | 180.0° |
H91 | C54 | C56 | H93 | 0.1° | 0.0° |
C55 | C57 | C58 | C56 | 0.1° | 0.2° |
C55 | C57 | C58 | H94 | 180.0° | 180.0° |
C55 | C57 | C58 | H95 | 179.9° | 180.0° |
H92 | C55 | C57 | C58 | 179.9° | 180.0° |
H92 | C55 | C57 | H94 | 0.1° | 0.0° |
C56 | C58 | C57 | H95 | 180.0° | 179.7° |
C56 | C58 | C57 | H94 | 180.0° | 179.7° |
H93 | C56 | C58 | C57 | 180.0° | 179.8° |
H93 | C56 | C58 | H95 | 0.0° | 0.0° |
H94 | C57 | C58 | H95 | 0.0° | 0.0° |
C59 | N17 | C63 | C51 | 179.5° | 179.7° |
N17 | C59 | C60 | C61 | 116.1° | 117.8° |
N17 | C59 | C60 | H96 | 123.4° | 121.0° |
N17 | C59 | C61 | H96 | 117.8° | 119.5° |
N17 | C59 | C60 | O15 | 145.8° | 0.0° |
N17 | C59 | C61 | C62 | 11.8° | 22.2° |
N17 | C59 | C61 | H97 | 131.3° | 140.5° |
N17 | C59 | C61 | H98 | 107.5° | 96.2° |
C59 | N17 | C63 | C62 | 25.5° | 24.5° |
C59 | N17 | C63 | H101 | 93.3° | 94.5° |
C59 | N17 | C63 | H102 | 144.4° | 143.2° |
N17 | C59 | C60 | N18 | 34.1° | 180.0° |
C63 | N17 | C59 | C60 | 128.6° | 120.7° |
C63 | N17 | C59 | C61 | 8.8° | 1.3° |
C63 | N17 | C59 | H96 | 108.4° | 118.3° |
N17 | C63 | C62 | C61 | 32.3° | 37.3° |
N17 | C63 | C62 | H101 | 118.9° | 118.8° |
N17 | C63 | C62 | H102 | 118.9° | 118.7° |
N17 | C63 | C62 | H99 | 87.2° | 80.9° |
N17 | C63 | C62 | H100 | 151.7° | 155.3° |
N17 | C63 | H101 | H102 | 123.2° | 122.3° |
C60 | C59 | C61 | H96 | 120.6° | 121.1° |
C59 | C60 | O15 | N18 | 179.9° | 180.0° |
C60 | C59 | C61 | C62 | 109.7° | 97.2° |
C60 | C59 | C61 | H97 | 9.7° | 21.1° |
C60 | C59 | C61 | H98 | 130.9° | 144.4° |
C59 | C60 | N18 | C64 | 180.0° | 180.0° |
C59 | C60 | N18 | H103 | 0.0° | 0.0° |
C60 | C59 | N17 | C51 | 50.9° | 59.6° |
C61 | C59 | C60 | O15 | 98.1° | 117.8° |
C59 | C61 | C62 | H97 | 119.4° | 118.4° |
C59 | C61 | C62 | H98 | 119.4° | 118.4° |
C59 | C61 | H97 | H98 | 121.8° | 123.2° |
C59 | C61 | C62 | C63 | 27.7° | 35.7° |
C59 | C61 | C62 | H99 | 91.7° | 82.6° |
C59 | C61 | C62 | H100 | 147.2° | 153.6° |
C61 | C59 | N17 | C51 | 170.8° | 179.0° |
C61 | C59 | C60 | N18 | 81.9° | 62.2° |
H96 | C59 | C60 | O15 | 22.4° | 121.0° |
H96 | C59 | C61 | C62 | 129.7° | 141.7° |
H96 | C59 | C61 | H97 | 110.9° | 100.0° |
H96 | C59 | C61 | H98 | 10.3° | 23.3° |
H96 | C59 | N17 | C51 | 72.0° | 61.4° |
H96 | C59 | C60 | N18 | 157.5° | 59.0° |
O15 | C60 | N18 | C64 | 0.1° | 0.0° |
O15 | C60 | N18 | H103 | 179.9° | 179.9° |
C62 | C61 | H97 | H98 | 121.7° | 123.2° |
C61 | C62 | C63 | H99 | 119.5° | 118.2° |
C61 | C62 | C63 | H100 | 119.4° | 118.0° |
C61 | C62 | H99 | H100 | 121.6° | 124.0° |
C61 | C62 | C63 | H101 | 86.6° | 81.5° |
C61 | C62 | C63 | H102 | 151.1° | 156.0° |
H97 | C61 | C62 | C63 | 147.2° | 154.0° |
H97 | C61 | C62 | H99 | 27.7° | 35.8° |
H97 | C61 | C62 | H100 | 93.4° | 88.0° |
H98 | C61 | C62 | C63 | 91.7° | 82.7° |
H98 | C61 | C62 | H99 | 148.9° | 159.0° |
H98 | C61 | C62 | H100 | 27.8° | 35.2° |
C63 | C62 | H99 | H100 | 121.6° | 123.8° |
C62 | C63 | H101 | H102 | 123.2° | 122.4° |
C62 | C63 | N17 | C51 | 154.0° | 155.8° |
H99 | C62 | C63 | H101 | 153.9° | 160.3° |
H99 | C62 | C63 | H102 | 31.7° | 37.8° |
H100 | C62 | C63 | H101 | 32.8° | 36.5° |
H100 | C62 | C63 | H102 | 89.4° | 86.0° |
H101 | C63 | N17 | C51 | 87.1° | 85.2° |
H102 | C63 | N17 | C51 | 35.2° | 37.1° |
C64 | N18 | H103 | C60 | 180.0° | 180.0° |
N18 | C64 | C65 | C66 | 122.3° | 120.0° |
N18 | C64 | C65 | H104 | 119.6° | 120.0° |
N18 | C64 | C66 | H104 | 119.3° | 120.0° |
N18 | C64 | C65 | O16 | 103.5° | 0.0° |
N18 | C64 | C65 | O19 | 76.5° | 180.0° |
N18 | C64 | C66 | C67 | 178.9° | 65.0° |
N18 | C64 | C66 | H105 | 58.4° | 55.0° |
N18 | C64 | C66 | H106 | 60.7° | 175.0° |
H103 | N18 | C64 | C65 | 103.3° | 95.0° |
H103 | N18 | C64 | C66 | 18.9° | 25.1° |
H103 | N18 | C64 | H104 | 137.6° | 145.0° |
C65 | C64 | C66 | H104 | 118.1° | 120.0° |
C64 | C65 | O16 | O19 | 179.9° | 180.0° |
C65 | C64 | C66 | C67 | 58.5° | 175.0° |
C65 | C64 | C66 | H105 | 179.0° | 65.0° |
C65 | C64 | C66 | H106 | 61.9° | 55.0° |
C64 | C65 | O19 | H108 | 180.0° | 180.0° |
C65 | C64 | N18 | C60 | 76.6° | 85.0° |
C66 | C64 | C65 | O16 | 134.2° | 120.0° |
C66 | C64 | C65 | O19 | 45.8° | 60.0° |
C64 | C66 | C67 | H105 | 120.5° | 120.0° |
C64 | C66 | C67 | H106 | 120.5° | 120.0° |
C64 | C66 | H105 | H106 | 118.6° | 120.0° |
C64 | C66 | C67 | O17 | 61.9° | 0.0° |
C64 | C66 | C67 | O18 | 117.8° | 180.0° |
C66 | C64 | N18 | C60 | 161.2° | 155.0° |
H104 | C64 | C65 | O16 | 16.1° | 120.0° |
H104 | C64 | C65 | O19 | 163.9° | 60.0° |
H104 | C64 | C66 | C67 | 59.6° | 55.0° |
H104 | C64 | C66 | H105 | 60.9° | 175.0° |
H104 | C64 | C66 | H106 | 179.9° | 65.0° |
H104 | C64 | N18 | C60 | 42.5° | 35.0° |
O16 | C65 | O19 | H108 | 0.0° | 0.0° |
C67 | C66 | H105 | H106 | 118.5° | 120.0° |
C66 | C67 | O17 | O18 | 179.8° | 180.0° |
C66 | C67 | O18 | H107 | 179.7° | 180.0° |
H105 | C66 | C67 | O17 | 58.5° | 120.0° |
H105 | C66 | C67 | O18 | 121.7° | 60.0° |
H106 | C66 | C67 | O17 | 177.6° | 120.0° |
H106 | C66 | C67 | O18 | 2.6° | 60.0° |
O17 | C67 | O18 | H107 | 0.0° | 0.0° |