PRD_001097
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
N1 | C1 | sing | 1.47Å | 1.46Å | |
N1 | H1 | sing | 0.97Å | 1.00Å | |
C1 | C2 | sing | 1.51Å | 1.54Å | |
C1 | H2 | sing | 1.09Å | 1.10Å | |
C1 | H3 | sing | 1.09Å | 1.10Å | |
C2 | O1 | doub | 1.21Å | 1.21Å | |
N2 | C3 | sing | 1.46Å | 1.46Å | |
N2 | H4 | sing | 0.97Å | 1.00Å | |
C3 | C4 | sing | 1.51Å | 1.52Å | |
C3 | C5 | sing | 1.53Å | 1.53Å | |
C3 | H5 | sing | 1.09Å | 1.10Å | |
C4 | O2 | doub | 1.21Å | 1.23Å | |
C5 | C6 | sing | 1.53Å | 1.52Å | |
C5 | H6 | sing | 1.09Å | 1.10Å | |
C5 | H7 | sing | 1.09Å | 1.10Å | |
C6 | C7 | sing | 1.53Å | 1.52Å | |
C6 | H8 | sing | 1.09Å | 1.10Å | |
C6 | H9 | sing | 1.09Å | 1.10Å | |
C7 | N3 | sing | 1.46Å | 1.46Å | |
C7 | H10 | sing | 1.09Å | 1.10Å | |
C7 | H11 | sing | 1.09Å | 1.10Å | |
N3 | C8 | sing | 1.37Å | 1.33Å | |
N3 | H12 | sing | 0.97Å | 1.00Å | |
C8 | N4 | sing | 1.33Å | 1.33Å | |
C8 | N5 | doub | 1.33Å | 1.33Å | |
N4 | H13 | sing | 0.97Å | 1.00Å | |
N4 | H14 | sing | 0.97Å | 1.00Å | |
N5 | H15 | sing | 0.97Å | 1.00Å | |
N5 | H16 | sing | 0.97Å | 1.00Å | |
N6 | C9 | sing | 1.46Å | 1.46Å | |
N6 | H17 | sing | 0.98Å | 1.00Å | |
C9 | C10 | sing | 1.50Å | 1.52Å | |
C9 | C11 | sing | 1.53Å | 1.53Å | |
C9 | H18 | sing | 1.10Å | 1.10Å | |
C10 | O3 | doub | 1.21Å | 1.23Å | |
C11 | S1 | sing | 1.82Å | 1.80Å | |
C11 | H19 | sing | 1.09Å | 1.10Å | |
C11 | H20 | sing | 1.09Å | 1.10Å | |
N7 | C12 | sing | 1.46Å | 1.46Å | |
N7 | H21 | sing | 0.97Å | 1.00Å | |
C12 | C13 | sing | 1.51Å | 1.53Å | |
C12 | C14 | sing | 1.53Å | 1.54Å | |
C12 | H22 | sing | 1.09Å | 1.10Å | |
C13 | O4 | doub | 1.22Å | 1.23Å | |
C14 | O5 | sing | 1.43Å | 1.43Å | |
C14 | C15 | sing | 1.53Å | 1.52Å | |
C14 | H23 | sing | 1.09Å | 1.10Å | |
O5 | H24 | sing | 0.97Å | 0.95Å | |
C15 | H25 | sing | 1.09Å | 1.10Å | |
C15 | H26 | sing | 1.09Å | 1.10Å | |
C15 | H27 | sing | 1.09Å | 1.10Å | |
N8 | C16 | sing | 1.46Å | 1.46Å | |
N8 | H28 | sing | 0.97Å | 1.00Å | |
C16 | C17 | sing | 1.51Å | 1.53Å | |
C16 | C18 | sing | 1.53Å | 1.53Å | |
C16 | H29 | sing | 1.09Å | 1.10Å | |
C17 | O6 | doub | 1.21Å | 1.23Å | |
C18 | C19 | sing | 1.53Å | 1.53Å | |
C18 | H30 | sing | 1.09Å | 1.10Å | |
C18 | H31 | sing | 1.09Å | 1.10Å | |
C19 | C20 | sing | 1.53Å | 1.52Å | |
C19 | H32 | sing | 1.09Å | 1.10Å | |
C19 | H33 | sing | 1.09Å | 1.10Å | |
C20 | C21 | sing | 1.53Å | 1.53Å | |
C20 | H34 | sing | 1.09Å | 1.10Å | |
C20 | H35 | sing | 1.09Å | 1.10Å | |
C21 | N9 | sing | 1.47Å | 1.49Å | |
C21 | H36 | sing | 1.09Å | 1.10Å | |
C21 | H37 | sing | 1.09Å | 1.10Å | |
N9 | H38 | sing | 1.01Å | 1.00Å | |
N9 | H39 | sing | 1.01Å | 1.00Å | |
N9 | H40 | sing | 1.01Å | 1.00Å | |
N10 | C22 | sing | 1.47Å | 1.46Å | |
N10 | H41 | sing | 0.97Å | 1.00Å | |
C22 | C23 | sing | 1.51Å | 1.53Å | |
C22 | C24 | sing | 1.53Å | 1.53Å | |
C22 | H42 | sing | 1.09Å | 1.10Å | |
C23 | O7 | doub | 1.22Å | 1.23Å | |
C24 | O8 | sing | 1.43Å | 1.42Å | |
C24 | H43 | sing | 1.09Å | 1.10Å | |
C24 | H44 | sing | 1.09Å | 1.10Å | |
O8 | H45 | sing | 0.97Å | 0.95Å | |
N11 | C25 | sing | 1.46Å | 1.46Å | |
N11 | H46 | sing | 0.97Å | 1.00Å | |
C25 | C26 | sing | 1.50Å | 1.53Å | |
C25 | C27 | sing | 1.53Å | 1.54Å | |
C25 | H47 | sing | 1.10Å | 1.10Å | |
C26 | O9 | doub | 1.22Å | 1.23Å | |
C27 | C28 | sing | 1.53Å | 1.53Å | |
C27 | C29 | sing | 1.53Å | 1.52Å | |
C27 | H48 | sing | 1.09Å | 1.10Å | |
C28 | C30 | sing | 1.53Å | 1.51Å | |
C28 | H49 | sing | 1.09Å | 1.10Å | |
C28 | H50 | sing | 1.09Å | 1.10Å | |
C29 | H51 | sing | 1.09Å | 1.10Å | |
C29 | H52 | sing | 1.09Å | 1.10Å | |
C29 | H53 | sing | 1.09Å | 1.10Å | |
C30 | H54 | sing | 1.09Å | 1.10Å | |
C30 | H55 | sing | 1.09Å | 1.10Å | |
C30 | H56 | sing | 1.09Å | 1.10Å | |
N12 | C31 | sing | 1.48Å | 1.46Å | |
N12 | C35 | sing | 1.46Å | 1.47Å | |
C31 | C32 | sing | 1.50Å | 1.52Å | |
C31 | C33 | sing | 1.53Å | 1.53Å | |
C31 | H57 | sing | 1.10Å | 1.10Å | |
C32 | O10 | doub | 1.22Å | 1.23Å | |
C33 | C34 | sing | 1.54Å | 1.48Å | |
C33 | H58 | sing | 1.09Å | 1.10Å | |
C33 | H59 | sing | 1.09Å | 1.10Å | |
C34 | C35 | sing | 1.54Å | 1.51Å | |
C34 | H60 | sing | 1.09Å | 1.10Å | |
C34 | H61 | sing | 1.09Å | 1.10Å | |
C35 | H62 | sing | 1.08Å | 1.10Å | |
C35 | H63 | sing | 1.09Å | 1.10Å | |
N13 | C36 | sing | 1.47Å | 1.46Å | |
N13 | C40 | sing | 1.47Å | 1.47Å | |
C36 | C37 | sing | 1.51Å | 1.52Å | |
C36 | C38 | sing | 1.54Å | 1.53Å | |
C36 | H64 | sing | 1.09Å | 1.10Å | |
C37 | O11 | doub | 1.21Å | 1.23Å | |
C38 | C39 | sing | 1.54Å | 1.50Å | |
C38 | H65 | sing | 1.09Å | 1.10Å | |
C38 | H66 | sing | 1.09Å | 1.10Å | |
C39 | C40 | sing | 1.54Å | 1.50Å | |
C39 | H67 | sing | 1.09Å | 1.10Å | |
C39 | H68 | sing | 1.09Å | 1.10Å | |
C40 | H69 | sing | 1.09Å | 1.10Å | |
C40 | H70 | sing | 1.09Å | 1.10Å | |
N14 | C41 | sing | 1.45Å | 1.45Å | |
N14 | H71 | sing | 0.99Å | 1.00Å | |
C41 | C42 | sing | 1.51Å | 1.53Å | |
C41 | C43 | sing | 1.53Å | 1.54Å | |
C41 | H72 | sing | 1.10Å | 1.10Å | |
C42 | O12 | doub | 1.22Å | 1.23Å | |
C43 | C44 | sing | 1.53Å | 1.53Å | |
C43 | C45 | sing | 1.53Å | 1.52Å | |
C43 | H73 | sing | 1.09Å | 1.10Å | |
C44 | C46 | sing | 1.53Å | 1.51Å | |
C44 | H74 | sing | 1.09Å | 1.10Å | |
C44 | H75 | sing | 1.09Å | 1.10Å | |
C45 | H76 | sing | 1.09Å | 1.10Å | |
C45 | H77 | sing | 1.09Å | 1.10Å | |
C45 | H78 | sing | 1.09Å | 1.10Å | |
C46 | H79 | sing | 1.09Å | 1.10Å | |
C46 | H80 | sing | 1.09Å | 1.10Å | |
C46 | H81 | sing | 1.09Å | 1.10Å | |
N15 | C47 | sing | 1.47Å | 1.46Å | |
N15 | H82 | sing | 0.97Å | 1.00Å | |
C47 | C48 | sing | 1.50Å | 1.53Å | |
C47 | C49 | sing | 1.53Å | 1.53Å | |
C47 | H83 | sing | 1.10Å | 1.10Å | |
C48 | O13 | doub | 1.21Å | 1.23Å | |
C49 | S2 | sing | 1.81Å | 1.80Å | |
C49 | H84 | sing | 1.09Å | 1.10Å | |
C49 | H85 | sing | 1.09Å | 1.10Å | |
N16 | C50 | sing | 1.47Å | 1.46Å | |
N16 | H86 | sing | 0.97Å | 1.00Å | |
C50 | C51 | sing | 1.50Å | 1.53Å | |
C50 | C52 | sing | 1.53Å | 1.53Å | |
C50 | H87 | sing | 1.09Å | 1.10Å | |
C51 | O14 | doub | 1.22Å | 1.23Å | |
C52 | C53 | sing | 1.51Å | 1.50Å | |
C52 | H88 | sing | 1.09Å | 1.10Å | |
C52 | H89 | sing | 1.09Å | 1.10Å | |
C53 | C54 | doub | 1.38Å | 1.39Å | Aromatic |
C53 | C55 | sing | 1.38Å | 1.38Å | Aromatic |
C54 | C56 | sing | 1.38Å | 1.38Å | Aromatic |
C54 | H90 | sing | 1.08Å | 1.08Å | |
C55 | C57 | doub | 1.38Å | 1.38Å | Aromatic |
C55 | H91 | sing | 1.08Å | 1.08Å | |
C56 | C58 | doub | 1.38Å | 1.38Å | Aromatic |
C56 | H92 | sing | 1.08Å | 1.08Å | |
C57 | C58 | sing | 1.38Å | 1.38Å | Aromatic |
C57 | H93 | sing | 1.08Å | 1.08Å | |
C58 | H94 | 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 | H95 | sing | 1.09Å | 1.10Å | |
C60 | O15 | doub | 1.21Å | 1.23Å | |
C61 | C62 | sing | 1.54Å | 1.50Å | |
C61 | H96 | sing | 1.09Å | 1.10Å | |
C61 | H97 | sing | 1.09Å | 1.10Å | |
C62 | C63 | sing | 1.54Å | 1.50Å | |
C62 | H98 | sing | 1.09Å | 1.10Å | |
C62 | H99 | sing | 1.09Å | 1.10Å | |
C63 | H100 | sing | 1.09Å | 1.10Å | |
C63 | H101 | sing | 1.09Å | 1.10Å | |
N18 | C64 | sing | 1.46Å | 1.46Å | |
N18 | H102 | sing | 0.98Å | 1.00Å | |
C64 | C65 | sing | 1.50Å | 1.52Å | |
C64 | C66 | sing | 1.53Å | 1.53Å | |
C64 | H103 | sing | 1.10Å | 1.10Å | |
C65 | O16 | doub | 1.22Å | 1.23Å | |
C66 | C67 | sing | 1.51Å | 1.52Å | |
C66 | H104 | sing | 1.09Å | 1.10Å | |
C66 | H105 | sing | 1.09Å | 1.10Å | |
C67 | O17 | doub | 1.21Å | 1.25Å | |
C67 | O18 | sing | 1.34Å | 1.25Å | |
O18 | H106 | sing | 0.97Å | 0.95Å | |
N1 | C65 | sing | 1.35Å | 1.44Å | |
C2 | N2 | sing | 1.35Å | 1.31Å | |
C4 | N6 | sing | 1.35Å | 1.33Å | |
C10 | N7 | sing | 1.35Å | 1.33Å | |
S1 | S2 | sing | 2.05Å | 2.04Å | |
C13 | N8 | sing | 1.35Å | 1.33Å | |
C17 | N10 | sing | 1.35Å | 1.33Å | |
C23 | N11 | sing | 1.35Å | 1.33Å | |
C26 | N12 | sing | 1.34Å | 1.34Å | |
C32 | N13 | sing | 1.34Å | 1.34Å | |
C37 | N14 | sing | 1.34Å | 1.33Å | |
C42 | N15 | sing | 1.35Å | 1.33Å | |
C48 | N16 | sing | 1.35Å | 1.33Å | |
C51 | N17 | sing | 1.35Å | 1.34Å | |
C60 | N18 | sing | 1.35Å | 1.33Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C1 | N1 | H1 | 97.1° | 119.6° |
N1 | C1 | C2 | 120.0° | 109.7° |
N1 | C1 | H2 | 106.8° | 109.0° |
N1 | C1 | H3 | 106.8° | 109.5° |
C1 | N1 | C65 | 165.8° | 118.3° |
H1 | N1 | C65 | 97.1° | 122.1° |
C2 | C1 | H2 | 106.8° | 109.0° |
C2 | C1 | H3 | 106.8° | 109.8° |
C1 | C2 | O1 | 121.5° | 120.5° |
C1 | C2 | N2 | 115.8° | 117.9° |
H2 | C1 | H3 | 109.5° | 109.7° |
O1 | C2 | N2 | 122.7° | 121.6° |
C3 | N2 | H4 | 116.3° | 120.6° |
N2 | C3 | C4 | 112.3° | 109.7° |
N2 | C3 | C5 | 111.0° | 109.6° |
N2 | C3 | H5 | 108.5° | 109.7° |
C3 | N2 | C2 | 127.4° | 120.3° |
H4 | N2 | C2 | 116.3° | 119.1° |
C4 | C3 | C5 | 109.3° | 109.0° |
C4 | C3 | H5 | 107.8° | 109.2° |
C3 | C4 | O2 | 120.7° | 120.2° |
C3 | C4 | N6 | 115.9° | 119.1° |
C5 | C3 | H5 | 107.7° | 109.5° |
C3 | C5 | C6 | 114.7° | 109.5° |
C3 | C5 | H6 | 108.2° | 109.5° |
C3 | C5 | H7 | 108.2° | 109.5° |
O2 | C4 | N6 | 123.4° | 120.8° |
C6 | C5 | H6 | 108.1° | 109.5° |
C6 | C5 | H7 | 108.1° | 109.5° |
C5 | C6 | C7 | 111.3° | 109.5° |
C5 | C6 | H8 | 109.0° | 109.5° |
C5 | C6 | H9 | 109.0° | 109.5° |
H6 | C5 | H7 | 109.5° | 109.4° |
C7 | C6 | H8 | 109.0° | 109.5° |
C7 | C6 | H9 | 109.0° | 109.5° |
C6 | C7 | N3 | 112.4° | 109.5° |
C6 | C7 | H10 | 108.7° | 109.4° |
C6 | C7 | H11 | 108.7° | 109.5° |
H8 | C6 | H9 | 109.5° | 109.4° |
N3 | C7 | H10 | 108.7° | 109.5° |
N3 | C7 | H11 | 108.7° | 109.5° |
C7 | N3 | C8 | 124.3° | 120.0° |
C7 | N3 | H12 | 117.8° | 120.1° |
H10 | C7 | H11 | 109.5° | 109.5° |
C8 | N3 | H12 | 117.9° | 120.0° |
N3 | C8 | N4 | 120.2° | 120.0° |
N3 | C8 | N5 | 120.1° | 120.0° |
N4 | C8 | N5 | 119.7° | 120.0° |
C8 | N4 | H13 | 120.0° | 120.0° |
C8 | N4 | H14 | 120.0° | 120.0° |
C8 | N5 | H15 | 120.0° | 120.0° |
C8 | N5 | H16 | 120.0° | 119.9° |
H13 | N4 | H14 | 120.0° | 120.0° |
H15 | N5 | H16 | 120.0° | 120.0° |
C9 | N6 | H17 | 118.7° | 118.9° |
N6 | C9 | C10 | 110.0° | 111.3° |
N6 | C9 | C11 | 110.7° | 110.3° |
N6 | C9 | H18 | 109.8° | 108.2° |
C9 | N6 | C4 | 122.5° | 122.1° |
H17 | N6 | C4 | 118.8° | 119.0° |
C10 | C9 | C11 | 108.7° | 110.3° |
C10 | C9 | H18 | 108.9° | 108.8° |
C9 | C10 | O3 | 120.1° | 120.1° |
C9 | C10 | N7 | 117.0° | 119.5° |
C11 | C9 | H18 | 108.8° | 107.9° |
C9 | C11 | S1 | 115.7° | 108.9° |
C9 | C11 | H19 | 107.9° | 110.2° |
C9 | C11 | H20 | 107.9° | 109.5° |
O3 | C10 | N7 | 122.9° | 120.5° |
S1 | C11 | H19 | 107.9° | 109.7° |
S1 | C11 | H20 | 107.9° | 109.3° |
C11 | S1 | S2 | 106.8° | 102.6° |
H19 | C11 | H20 | 109.5° | 109.1° |
C12 | N7 | H21 | 119.5° | 119.3° |
N7 | C12 | C13 | 109.3° | 109.4° |
N7 | C12 | C14 | 112.2° | 108.9° |
N7 | C12 | H22 | 109.4° | 109.9° |
C12 | N7 | C10 | 120.9° | 121.7° |
H21 | N7 | C10 | 119.6° | 119.0° |
C13 | C12 | C14 | 109.0° | 109.6° |
C13 | C12 | H22 | 108.5° | 109.5° |
C12 | C13 | O4 | 120.7° | 119.7° |
C12 | C13 | N8 | 116.4° | 120.0° |
C14 | C12 | H22 | 108.4° | 109.5° |
C12 | C14 | O5 | 109.7° | 109.5° |
C12 | C14 | C15 | 110.7° | 109.5° |
C12 | C14 | H23 | 108.3° | 109.5° |
O4 | C13 | N8 | 122.8° | 120.3° |
O5 | C14 | C15 | 109.8° | 109.5° |
O5 | C14 | H23 | 109.7° | 109.5° |
C14 | O5 | H24 | 109.5° | 114.0° |
C15 | C14 | H23 | 108.6° | 109.4° |
C14 | C15 | H25 | 109.5° | 109.4° |
C14 | C15 | H26 | 109.5° | 109.5° |
C14 | C15 | H27 | 109.5° | 109.5° |
H25 | C15 | H26 | 109.4° | 109.5° |
H25 | C15 | H27 | 109.5° | 109.4° |
H26 | C15 | H27 | 109.5° | 109.5° |
C16 | N8 | H28 | 119.2° | 119.4° |
N8 | C16 | C17 | 110.8° | 110.7° |
N8 | C16 | C18 | 110.5° | 109.3° |
N8 | C16 | H29 | 109.1° | 109.3° |
C16 | N8 | C13 | 121.6° | 120.1° |
H28 | N8 | C13 | 119.2° | 120.5° |
C17 | C16 | C18 | 110.0° | 109.3° |
C17 | C16 | H29 | 108.3° | 109.1° |
C16 | C17 | O6 | 120.7° | 120.2° |
C16 | C17 | N10 | 116.2° | 118.7° |
C18 | C16 | H29 | 108.2° | 109.2° |
C16 | C18 | C19 | 115.2° | 109.5° |
C16 | C18 | H30 | 108.0° | 109.5° |
C16 | C18 | H31 | 108.0° | 109.5° |
O6 | C17 | N10 | 123.0° | 121.1° |
C19 | C18 | H30 | 108.0° | 109.5° |
C19 | C18 | H31 | 108.0° | 109.4° |
C18 | C19 | C20 | 111.9° | 109.5° |
C18 | C19 | H32 | 108.9° | 109.5° |
C18 | C19 | H33 | 108.8° | 109.5° |
H30 | C18 | H31 | 109.5° | 109.5° |
C20 | C19 | H32 | 108.8° | 109.5° |
C20 | C19 | H33 | 108.9° | 109.5° |
C19 | C20 | C21 | 112.1° | 109.5° |
C19 | C20 | H34 | 108.8° | 109.5° |
C19 | C20 | H35 | 108.8° | 109.5° |
H32 | C19 | H33 | 109.5° | 109.4° |
C21 | C20 | H34 | 108.8° | 109.5° |
C21 | C20 | H35 | 108.8° | 109.5° |
C20 | C21 | N9 | 113.5° | 109.4° |
C20 | C21 | H36 | 108.5° | 109.5° |
C20 | C21 | H37 | 108.4° | 109.4° |
H34 | C20 | H35 | 109.5° | 109.5° |
N9 | C21 | H36 | 108.4° | 109.5° |
N9 | C21 | H37 | 108.5° | 109.5° |
C21 | N9 | H38 | 109.5° | 109.5° |
C21 | N9 | H39 | 109.5° | 109.5° |
C21 | N9 | H40 | 109.5° | 109.4° |
H36 | C21 | H37 | 109.5° | 109.5° |
H38 | N9 | H39 | 109.5° | 109.4° |
H38 | N9 | H40 | 109.4° | 109.5° |
H39 | N9 | H40 | 109.5° | 109.5° |
C22 | N10 | H41 | 118.9° | 119.3° |
N10 | C22 | C23 | 111.7° | 107.7° |
N10 | C22 | C24 | 110.3° | 109.4° |
N10 | C22 | H42 | 109.1° | 109.8° |
C22 | N10 | C17 | 122.1° | 121.4° |
H41 | N10 | C17 | 119.0° | 119.3° |
C23 | C22 | C24 | 109.3° | 110.1° |
C23 | C22 | H42 | 108.2° | 110.0° |
C22 | C23 | O7 | 120.9° | 118.5° |
C22 | C23 | N11 | 116.0° | 122.5° |
C24 | C22 | H42 | 108.2° | 109.8° |
C22 | C24 | O8 | 110.6° | 109.5° |
C22 | C24 | H43 | 109.2° | 109.5° |
C22 | C24 | H44 | 109.2° | 109.5° |
O7 | C23 | N11 | 123.2° | 119.0° |
O8 | C24 | H43 | 109.2° | 109.5° |
O8 | C24 | H44 | 109.2° | 109.4° |
C24 | O8 | H45 | 109.5° | 114.0° |
H43 | C24 | H44 | 109.5° | 109.5° |
C25 | N11 | H46 | 118.9° | 119.7° |
N11 | C25 | C26 | 110.9° | 111.5° |
N11 | C25 | C27 | 111.5° | 110.3° |
N11 | C25 | H47 | 109.2° | 108.4° |
C25 | N11 | C23 | 122.3° | 119.0° |
H46 | N11 | C23 | 118.9° | 121.3° |
C26 | C25 | C27 | 108.6° | 110.4° |
C26 | C25 | H47 | 108.3° | 108.2° |
C25 | C26 | O9 | 120.4° | 118.9° |
C25 | C26 | N12 | 117.0° | 122.5° |
C27 | C25 | H47 | 108.2° | 108.0° |
C25 | C27 | C28 | 110.6° | 109.4° |
C25 | C27 | C29 | 110.5° | 109.5° |
C25 | C27 | H48 | 108.2° | 109.4° |
O9 | C26 | N12 | 122.6° | 118.6° |
C28 | C27 | C29 | 110.7° | 109.5° |
C28 | C27 | H48 | 108.4° | 109.5° |
C27 | C28 | C30 | 113.9° | 109.4° |
C27 | C28 | H49 | 108.4° | 109.5° |
C27 | C28 | H50 | 108.3° | 109.5° |
C29 | C27 | H48 | 108.4° | 109.5° |
C27 | C29 | H51 | 109.5° | 109.5° |
C27 | C29 | H52 | 109.4° | 109.5° |
C27 | C29 | H53 | 109.5° | 109.5° |
C30 | C28 | H49 | 108.4° | 109.5° |
C30 | C28 | H50 | 108.4° | 109.4° |
C28 | C30 | H54 | 109.5° | 109.4° |
C28 | C30 | H55 | 109.5° | 109.4° |
C28 | C30 | H56 | 109.5° | 109.5° |
H49 | C28 | H50 | 109.5° | 109.5° |
H51 | C29 | H52 | 109.5° | 109.4° |
H51 | C29 | H53 | 109.5° | 109.5° |
H52 | C29 | H53 | 109.5° | 109.5° |
H54 | C30 | H55 | 109.5° | 109.5° |
H54 | C30 | H56 | 109.5° | 109.5° |
H55 | C30 | H56 | 109.5° | 109.5° |
C31 | N12 | C35 | 112.0° | 107.2° |
N12 | C31 | C32 | 111.4° | 111.3° |
N12 | C31 | C33 | 103.2° | 107.1° |
N12 | C31 | H57 | 111.2° | 107.9° |
C31 | N12 | C26 | 123.7° | 123.8° |
N12 | C35 | C34 | 103.4° | 105.7° |
N12 | C35 | H62 | 111.0° | 111.9° |
N12 | C35 | H63 | 111.0° | 109.9° |
C35 | N12 | C26 | 124.1° | 129.0° |
C32 | C31 | C33 | 110.4° | 112.4° |
C32 | C31 | H57 | 110.3° | 109.6° |
C31 | C32 | O10 | 120.0° | 118.4° |
C31 | C32 | N13 | 116.9° | 123.6° |
C33 | C31 | H57 | 110.2° | 108.5° |
C31 | C33 | C34 | 104.6° | 105.8° |
C31 | C33 | H58 | 110.7° | 110.7° |
C31 | C33 | H59 | 110.7° | 110.1° |
O10 | C32 | N13 | 123.1° | 118.0° |
C34 | C33 | H58 | 110.7° | 109.7° |
C34 | C33 | H59 | 110.7° | 109.9° |
C33 | C34 | C35 | 105.9° | 104.7° |
C33 | C34 | H60 | 110.4° | 110.4° |
C33 | C34 | H61 | 110.4° | 110.2° |
H58 | C33 | H59 | 109.5° | 110.6° |
C35 | C34 | H60 | 110.4° | 110.3° |
C35 | C34 | H61 | 110.4° | 110.1° |
C34 | C35 | H62 | 111.0° | 109.8° |
C34 | C35 | H63 | 111.0° | 109.2° |
H60 | C34 | H61 | 109.5° | 111.0° |
H62 | C35 | H63 | 109.5° | 110.2° |
C36 | N13 | C40 | 112.2° | 108.3° |
N13 | C36 | C37 | 111.6° | 111.9° |
N13 | C36 | C38 | 102.9° | 106.8° |
N13 | C36 | H64 | 111.4° | 110.4° |
C36 | N13 | C32 | 122.1° | 125.7° |
N13 | C40 | C39 | 103.2° | 108.1° |
N13 | C40 | H69 | 111.0° | 110.0° |
N13 | C40 | H70 | 111.0° | 109.7° |
C40 | N13 | C32 | 125.7° | 126.0° |
C37 | C36 | C38 | 109.6° | 107.2° |
C37 | C36 | H64 | 110.6° | 110.8° |
C36 | C37 | O11 | 120.2° | 117.4° |
C36 | C37 | N14 | 116.5° | 119.1° |
C38 | C36 | H64 | 110.4° | 109.5° |
C36 | C38 | C39 | 104.2° | 104.1° |
C36 | C38 | H65 | 110.8° | 109.8° |
C36 | C38 | H66 | 110.8° | 110.7° |
O11 | C37 | N14 | 123.4° | 123.6° |
C39 | C38 | H65 | 110.7° | 110.1° |
C39 | C38 | H66 | 110.7° | 111.0° |
C38 | C39 | C40 | 104.8° | 105.9° |
C38 | C39 | H67 | 110.6° | 109.8° |
C38 | C39 | H68 | 110.6° | 110.4° |
H65 | C38 | H66 | 109.5° | 110.9° |
C40 | C39 | H67 | 110.7° | 109.7° |
C40 | C39 | H68 | 110.7° | 110.6° |
C39 | C40 | H69 | 111.0° | 109.8° |
C39 | C40 | H70 | 111.0° | 109.2° |
H67 | C39 | H68 | 109.4° | 110.3° |
H69 | C40 | H70 | 109.5° | 109.9° |
C41 | N14 | H71 | 119.1° | 116.9° |
N14 | C41 | C42 | 108.3° | 111.8° |
N14 | C41 | C43 | 111.1° | 111.9° |
N14 | C41 | H72 | 109.8° | 108.9° |
C41 | N14 | C37 | 121.9° | 127.1° |
H71 | N14 | C37 | 119.1° | 116.0° |
C42 | C41 | C43 | 110.2° | 107.7° |
C42 | C41 | H72 | 108.8° | 107.8° |
C41 | C42 | O12 | 120.5° | 117.9° |
C41 | C42 | N15 | 116.7° | 123.1° |
C43 | C41 | H72 | 108.6° | 108.5° |
C41 | C43 | C44 | 110.1° | 109.5° |
C41 | C43 | C45 | 110.7° | 109.5° |
C41 | C43 | H73 | 108.2° | 109.5° |
O12 | C42 | N15 | 122.8° | 119.0° |
C44 | C43 | C45 | 111.0° | 109.5° |
C44 | C43 | H73 | 108.4° | 109.5° |
C43 | C44 | C46 | 114.1° | 109.5° |
C43 | C44 | H74 | 108.3° | 109.4° |
C43 | C44 | H75 | 108.3° | 109.5° |
C45 | C43 | H73 | 108.5° | 109.5° |
C43 | C45 | H76 | 109.5° | 109.4° |
C43 | C45 | H77 | 109.4° | 109.5° |
C43 | C45 | H78 | 109.5° | 109.4° |
C46 | C44 | H74 | 108.3° | 109.5° |
C46 | C44 | H75 | 108.3° | 109.5° |
C44 | C46 | H79 | 109.5° | 109.5° |
C44 | C46 | H80 | 109.5° | 109.4° |
C44 | C46 | H81 | 109.5° | 109.4° |
H74 | C44 | H75 | 109.5° | 109.4° |
H76 | C45 | H77 | 109.5° | 109.5° |
H76 | C45 | H78 | 109.5° | 109.5° |
H77 | C45 | H78 | 109.5° | 109.5° |
H79 | C46 | H80 | 109.4° | 109.5° |
H79 | C46 | H81 | 109.5° | 109.5° |
H80 | C46 | H81 | 109.5° | 109.5° |
C47 | N15 | H82 | 119.2° | 121.1° |
N15 | C47 | C48 | 113.8° | 112.1° |
N15 | C47 | C49 | 110.8° | 109.4° |
N15 | C47 | H83 | 108.1° | 108.7° |
C47 | N15 | C42 | 121.5° | 118.0° |
H82 | N15 | C42 | 119.3° | 120.8° |
C48 | C47 | C49 | 109.1° | 110.1° |
C48 | C47 | H83 | 107.4° | 108.0° |
C47 | C48 | O13 | 121.3° | 120.8° |
C47 | C48 | N16 | 115.6° | 119.2° |
C49 | C47 | H83 | 107.3° | 108.6° |
C47 | C49 | S2 | 114.8° | 109.4° |
C47 | C49 | H84 | 108.1° | 109.4° |
C47 | C49 | H85 | 108.1° | 109.6° |
O13 | C48 | N16 | 123.1° | 120.1° |
S2 | C49 | H84 | 108.1° | 109.7° |
S2 | C49 | H85 | 108.1° | 109.4° |
C49 | S2 | S1 | 98.5° | 102.8° |
H84 | C49 | H85 | 109.5° | 109.3° |
C50 | N16 | H86 | 118.9° | 118.5° |
N16 | C50 | C51 | 110.2° | 110.8° |
N16 | C50 | C52 | 110.7° | 107.9° |
N16 | C50 | H87 | 108.8° | 109.3° |
C50 | N16 | C48 | 122.3° | 121.6° |
H86 | N16 | C48 | 118.9° | 119.9° |
C51 | C50 | C52 | 111.2° | 109.7° |
C51 | C50 | H87 | 108.0° | 109.9° |
C50 | C51 | O14 | 120.2° | 119.8° |
C50 | C51 | N17 | 117.0° | 120.4° |
C52 | C50 | H87 | 107.9° | 109.3° |
C50 | C52 | C53 | 113.6° | 109.5° |
C50 | C52 | H88 | 108.4° | 109.5° |
C50 | C52 | H89 | 108.4° | 109.5° |
O14 | C51 | N17 | 122.8° | 119.8° |
C53 | C52 | H88 | 108.4° | 109.5° |
C53 | C52 | H89 | 108.4° | 109.5° |
C52 | C53 | C54 | 120.5° | 120.0° |
C52 | C53 | C55 | 120.7° | 120.0° |
H88 | C52 | H89 | 109.4° | 109.4° |
C54 | C53 | C55 | 118.8° | 120.0° |
C53 | C54 | C56 | 120.8° | 120.0° |
C53 | C54 | H90 | 119.6° | 120.0° |
C53 | C55 | C57 | 120.8° | 120.0° |
C53 | C55 | H91 | 119.6° | 120.0° |
C56 | C54 | H90 | 119.6° | 120.0° |
C54 | C56 | C58 | 119.9° | 120.0° |
C54 | C56 | H92 | 120.1° | 120.0° |
C57 | C55 | H91 | 119.6° | 120.0° |
C55 | C57 | C58 | 120.0° | 120.0° |
C55 | C57 | H93 | 120.0° | 120.0° |
C58 | C56 | H92 | 120.1° | 120.0° |
C56 | C58 | C57 | 119.8° | 120.0° |
C56 | C58 | H94 | 120.1° | 120.0° |
C58 | C57 | H93 | 120.0° | 120.0° |
C57 | C58 | H94 | 120.1° | 120.0° |
C59 | N17 | C63 | 112.0° | 108.4° |
N17 | C59 | C60 | 112.9° | 110.6° |
N17 | C59 | C61 | 103.5° | 107.2° |
N17 | C59 | H95 | 110.4° | 110.7° |
C59 | N17 | C51 | 121.3° | 125.9° |
N17 | C63 | C62 | 102.9° | 107.9° |
N17 | C63 | H100 | 111.1° | 110.3° |
N17 | C63 | H101 | 111.1° | 109.7° |
C63 | N17 | C51 | 126.6° | 125.7° |
C60 | C59 | C61 | 110.9° | 108.5° |
C60 | C59 | H95 | 109.5° | 109.9° |
C59 | C60 | O15 | 119.2° | 120.3° |
C59 | C60 | N18 | 117.6° | 117.4° |
C61 | C59 | H95 | 109.4° | 109.8° |
C59 | C61 | C62 | 105.3° | 104.5° |
C59 | C61 | H96 | 110.5° | 110.6° |
C59 | C61 | H97 | 110.5° | 110.5° |
O15 | C60 | N18 | 123.2° | 122.3° |
C62 | C61 | H96 | 110.5° | 110.2° |
C62 | C61 | H97 | 110.5° | 110.5° |
C61 | C62 | C63 | 105.5° | 106.4° |
C61 | C62 | H98 | 110.5° | 109.9° |
C61 | C62 | H99 | 110.5° | 110.3° |
H96 | C61 | H97 | 109.5° | 110.4° |
C63 | C62 | H98 | 110.5° | 109.8° |
C63 | C62 | H99 | 110.4° | 110.3° |
C62 | C63 | H100 | 111.1° | 109.9° |
C62 | C63 | H101 | 111.1° | 109.1° |
H98 | C62 | H99 | 109.5° | 110.0° |
H100 | C63 | H101 | 109.5° | 109.9° |
C64 | N18 | H102 | 119.4° | 118.3° |
N18 | C64 | C65 | 110.9° | 112.0° |
N18 | C64 | C66 | 111.3° | 110.1° |
N18 | C64 | H103 | 108.7° | 108.0° |
C64 | N18 | C60 | 121.1° | 123.5° |
H102 | N18 | C60 | 119.5° | 118.2° |
C65 | C64 | C66 | 110.1° | 110.5° |
C65 | C64 | H103 | 107.9° | 108.0° |
C64 | C65 | O16 | 120.9° | 119.2° |
C64 | C65 | N1 | 145.0° | 122.0° |
C66 | C64 | H103 | 107.8° | 108.0° |
C64 | C66 | C67 | 113.0° | 109.5° |
C64 | C66 | H104 | 108.6° | 109.5° |
C64 | C66 | H105 | 108.6° | 109.4° |
O16 | C65 | N1 | 79.1° | 118.8° |
C67 | C66 | H104 | 108.6° | 109.5° |
C67 | C66 | H105 | 108.6° | 109.5° |
C66 | C67 | O17 | 119.1° | 120.0° |
C66 | C67 | O18 | 118.2° | 120.0° |
H104 | C66 | H105 | 109.5° | 109.5° |
O17 | C67 | O18 | 122.6° | 120.0° |
C67 | O18 | H106 | 109.5° | 117.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C1 | N1 | H1 | C65 | 180.0° | 179.2° |
N1 | C1 | C2 | H2 | 121.5° | 119.3° |
N1 | C1 | C2 | H3 | 121.5° | 120.5° |
N1 | C1 | H2 | H3 | 115.2° | 119.9° |
N1 | C1 | C2 | O1 | 178.3° | 70.6° |
C1 | N1 | C65 | C64 | 164.3° | 175.4° |
C1 | N1 | C65 | O16 | 66.1° | 5.3° |
N1 | C1 | C2 | N2 | 3.8° | 109.4° |
H1 | N1 | C1 | C2 | 131.9° | 21.8° |
H1 | N1 | C1 | H2 | 10.4° | 141.1° |
H1 | N1 | C1 | H3 | 106.6° | 98.9° |
H1 | N1 | C65 | C64 | 15.7° | 5.4° |
H1 | N1 | C65 | O16 | 113.9° | 173.9° |
C2 | C1 | H2 | H3 | 115.3° | 120.3° |
C1 | C2 | O1 | N2 | 177.8° | 180.0° |
C1 | C2 | N2 | C3 | 177.0° | 178.2° |
C1 | C2 | N2 | H4 | 2.9° | 2.6° |
C2 | C1 | N1 | C65 | 48.1° | 157.5° |
H2 | C1 | C2 | O1 | 60.2° | 170.1° |
H2 | C1 | N1 | C65 | 169.6° | 38.1° |
H2 | C1 | C2 | N2 | 117.7° | 9.9° |
H3 | C1 | C2 | O1 | 56.9° | 49.9° |
H3 | C1 | N1 | C65 | 73.3° | 81.9° |
H3 | C1 | C2 | N2 | 125.2° | 130.1° |
O1 | C2 | N2 | C3 | 0.8° | 1.8° |
O1 | C2 | N2 | H4 | 179.2° | 177.4° |
C3 | N2 | H4 | C2 | 180.0° | 179.2° |
N2 | C3 | C4 | C5 | 123.8° | 120.1° |
N2 | C3 | C4 | H5 | 119.5° | 120.3° |
N2 | C3 | C5 | H5 | 118.7° | 120.5° |
N2 | C3 | C4 | O2 | 60.4° | 5.2° |
N2 | C3 | C5 | C6 | 66.5° | 65.0° |
N2 | C3 | C5 | H6 | 54.3° | 55.0° |
N2 | C3 | C5 | H7 | 172.7° | 175.0° |
N2 | C3 | C4 | N6 | 119.8° | 174.1° |
H4 | N2 | C3 | C4 | 113.6° | 19.0° |
H4 | N2 | C3 | C5 | 9.2° | 100.7° |
H4 | N2 | C3 | H5 | 127.4° | 139.0° |
C4 | C3 | C5 | H5 | 116.8° | 119.4° |
C3 | C4 | O2 | N6 | 179.8° | 179.3° |
C4 | C3 | C5 | C6 | 169.0° | 174.9° |
C4 | C3 | C5 | H6 | 70.3° | 65.1° |
C4 | C3 | C5 | H7 | 48.2° | 54.9° |
C3 | C4 | N6 | C9 | 175.5° | 171.8° |
C3 | C4 | N6 | H17 | 4.5° | 8.7° |
C4 | C3 | N2 | C2 | 66.4° | 161.8° |
C5 | C3 | C4 | O2 | 63.4° | 114.9° |
C3 | C5 | C6 | H6 | 120.8° | 120.0° |
C3 | C5 | C6 | H7 | 120.8° | 120.1° |
C3 | C5 | H6 | H7 | 117.7° | 120.0° |
C3 | C5 | C6 | C7 | 172.0° | 180.0° |
C3 | C5 | C6 | H8 | 51.7° | 60.0° |
C3 | C5 | C6 | H9 | 67.7° | 59.9° |
C5 | C3 | N2 | C2 | 170.8° | 78.5° |
C5 | C3 | C4 | N6 | 116.5° | 65.8° |
H5 | C3 | C4 | O2 | 179.9° | 125.5° |
H5 | C3 | C5 | C6 | 52.2° | 55.5° |
H5 | C3 | C5 | H6 | 172.9° | 175.5° |
H5 | C3 | C5 | H7 | 68.6° | 64.6° |
H5 | C3 | N2 | C2 | 52.6° | 41.8° |
H5 | C3 | C4 | N6 | 0.3° | 53.8° |
O2 | C4 | N6 | C9 | 4.3° | 8.8° |
O2 | C4 | N6 | H17 | 175.7° | 170.6° |
C6 | C5 | H6 | H7 | 117.6° | 120.0° |
C5 | C6 | C7 | H8 | 120.3° | 120.0° |
C5 | C6 | C7 | H9 | 120.3° | 120.0° |
C5 | C6 | H8 | H9 | 119.2° | 120.0° |
C5 | C6 | C7 | N3 | 55.5° | 180.0° |
C5 | C6 | C7 | H10 | 64.9° | 60.0° |
C5 | C6 | C7 | H11 | 176.0° | 60.0° |
H6 | C5 | C6 | C7 | 67.2° | 60.0° |
H6 | C5 | C6 | H8 | 172.5° | 180.0° |
H6 | C5 | C6 | H9 | 53.0° | 60.1° |
H7 | C5 | C6 | C7 | 51.2° | 60.0° |
H7 | C5 | C6 | H8 | 69.0° | 60.1° |
H7 | C5 | C6 | H9 | 171.5° | 180.0° |
C7 | C6 | H8 | H9 | 119.2° | 120.0° |
C6 | C7 | N3 | H10 | 120.4° | 120.0° |
C6 | C7 | N3 | H11 | 120.4° | 120.0° |
C6 | C7 | H10 | H11 | 118.6° | 120.0° |
C6 | C7 | N3 | C8 | 110.2° | 180.0° |
C6 | C7 | N3 | H12 | 69.8° | 0.0° |
H8 | C6 | C7 | N3 | 175.8° | 60.0° |
H8 | C6 | C7 | H10 | 55.4° | 180.0° |
H8 | C6 | C7 | H11 | 63.7° | 60.0° |
H9 | C6 | C7 | N3 | 64.7° | 60.0° |
H9 | C6 | C7 | H10 | 174.8° | 60.0° |
H9 | C6 | C7 | H11 | 55.7° | 180.0° |
N3 | C7 | H10 | H11 | 118.7° | 120.0° |
C7 | N3 | C8 | H12 | 180.0° | 179.9° |
C7 | N3 | C8 | N4 | 0.3° | 0.0° |
C7 | N3 | C8 | N5 | 180.0° | 180.0° |
H10 | C7 | N3 | C8 | 10.2° | 60.0° |
H10 | C7 | N3 | H12 | 169.8° | 120.0° |
H11 | C7 | N3 | C8 | 129.4° | 59.9° |
H11 | C7 | N3 | H12 | 50.7° | 120.0° |
N3 | C8 | N4 | N5 | 179.6° | 179.9° |
N3 | C8 | N4 | H13 | 179.6° | 0.0° |
N3 | C8 | N4 | H14 | 0.4° | 180.0° |
N3 | C8 | N5 | H15 | 179.6° | 180.0° |
N3 | C8 | N5 | H16 | 0.4° | 0.0° |
H12 | N3 | C8 | N4 | 179.7° | 180.0° |
H12 | N3 | C8 | N5 | 0.0° | 0.1° |
C8 | N4 | H13 | H14 | 180.0° | 180.0° |
N4 | C8 | N5 | H15 | 0.0° | 0.0° |
N4 | C8 | N5 | H16 | 180.0° | 180.0° |
N5 | C8 | N4 | H13 | 0.0° | 179.9° |
N5 | C8 | N4 | H14 | 180.0° | 0.0° |
C8 | N5 | H15 | H16 | 180.0° | 180.0° |
C9 | N6 | H17 | C4 | 180.0° | 179.5° |
N6 | C9 | C10 | C11 | 121.4° | 122.8° |
N6 | C9 | C10 | H18 | 120.3° | 119.1° |
N6 | C9 | C11 | H18 | 120.7° | 118.0° |
N6 | C9 | C10 | O3 | 46.5° | 0.3° |
N6 | C9 | C11 | S1 | 70.0° | 50.6° |
N6 | C9 | C11 | H19 | 50.9° | 69.8° |
N6 | C9 | C11 | H20 | 169.1° | 170.2° |
N6 | C9 | C10 | N7 | 133.9° | 179.9° |
H17 | N6 | C9 | C10 | 44.7° | 103.8° |
H17 | N6 | C9 | C11 | 75.4° | 133.4° |
H17 | N6 | C9 | H18 | 164.5° | 15.7° |
C10 | C9 | C11 | H18 | 118.4° | 118.7° |
C9 | C10 | O3 | N7 | 179.6° | 179.6° |
C10 | C9 | C11 | S1 | 169.0° | 174.0° |
C10 | C9 | C11 | H19 | 70.1° | 53.6° |
C10 | C9 | C11 | H20 | 48.1° | 66.4° |
C9 | C10 | N7 | C12 | 169.4° | 178.7° |
C9 | C10 | N7 | H21 | 10.6° | 1.4° |
C10 | C9 | N6 | C4 | 135.3° | 75.7° |
C11 | C9 | C10 | O3 | 74.9° | 123.1° |
C9 | C11 | S1 | H19 | 120.9° | 120.7° |
C9 | C11 | S1 | H20 | 120.9° | 119.6° |
C9 | C11 | H19 | H20 | 117.2° | 120.3° |
C11 | C9 | N6 | C4 | 104.6° | 47.1° |
C11 | C9 | C10 | N7 | 104.8° | 57.3° |
C9 | C11 | S1 | S2 | 92.4° | 146.1° |
H18 | C9 | C10 | O3 | 166.8° | 118.8° |
H18 | C9 | C11 | S1 | 50.7° | 67.3° |
H18 | C9 | C11 | H19 | 171.5° | 172.2° |
H18 | C9 | C11 | H20 | 70.2° | 52.2° |
H18 | C9 | N6 | C4 | 15.5° | 164.9° |
H18 | C9 | C10 | N7 | 13.5° | 60.8° |
O3 | C10 | N7 | C12 | 10.2° | 0.9° |
O3 | C10 | N7 | H21 | 169.8° | 178.9° |
S1 | C11 | H19 | H20 | 117.2° | 119.8° |
C11 | S1 | S2 | C49 | 120.5° | 103.3° |
H19 | C11 | S1 | S2 | 146.7° | 93.2° |
H20 | C11 | S1 | S2 | 28.5° | 26.5° |
C12 | N7 | H21 | C10 | 180.0° | 179.8° |
N7 | C12 | C13 | C14 | 122.9° | 119.3° |
N7 | C12 | C13 | H22 | 119.3° | 120.5° |
N7 | C12 | C14 | H22 | 120.9° | 120.2° |
N7 | C12 | C13 | O4 | 21.4° | 9.7° |
N7 | C12 | C14 | O5 | 61.7° | 65.0° |
N7 | C12 | C14 | C15 | 59.6° | 55.0° |
N7 | C12 | C14 | H23 | 178.5° | 175.0° |
N7 | C12 | C13 | N8 | 158.5° | 170.4° |
H21 | N7 | C12 | C13 | 115.5° | 64.1° |
H21 | N7 | C12 | C14 | 5.4° | 55.7° |
H21 | N7 | C12 | H22 | 125.8° | 175.7° |
C13 | C12 | C14 | H22 | 117.9° | 120.1° |
C12 | C13 | O4 | N8 | 179.9° | 180.0° |
C13 | C12 | C14 | O5 | 59.4° | 54.7° |
C13 | C12 | C14 | C15 | 179.3° | 174.7° |
C13 | C12 | C14 | H23 | 60.3° | 65.3° |
C12 | C13 | N8 | C16 | 175.2° | 176.2° |
C12 | C13 | N8 | H28 | 4.8° | 2.8° |
C13 | C12 | N7 | C10 | 64.5° | 115.7° |
C14 | C12 | C13 | O4 | 101.5° | 129.0° |
C12 | C14 | O5 | C15 | 121.8° | 120.0° |
C12 | C14 | O5 | H23 | 118.9° | 120.0° |
C12 | C14 | C15 | H23 | 118.8° | 120.0° |
C12 | C14 | O5 | H24 | 180.0° | 60.0° |
C12 | C14 | C15 | H25 | 180.0° | 60.0° |
C12 | C14 | C15 | H26 | 60.0° | 180.0° |
C12 | C14 | C15 | H27 | 60.0° | 60.0° |
C14 | C12 | N7 | C10 | 174.6° | 124.5° |
C14 | C12 | C13 | N8 | 78.6° | 51.0° |
H22 | C12 | C13 | O4 | 140.7° | 110.8° |
H22 | C12 | C14 | O5 | 177.4° | 174.8° |
H22 | C12 | C14 | C15 | 61.4° | 65.2° |
H22 | C12 | C14 | H23 | 57.6° | 54.8° |
H22 | C12 | N7 | C10 | 54.2° | 4.5° |
H22 | C12 | C13 | N8 | 39.2° | 69.1° |
O4 | C13 | N8 | C16 | 4.7° | 3.8° |
O4 | C13 | N8 | H28 | 175.4° | 177.3° |
O5 | C14 | C15 | H23 | 120.0° | 119.9° |
O5 | C14 | C15 | H25 | 58.8° | 60.1° |
O5 | C14 | C15 | H26 | 178.8° | 60.0° |
O5 | C14 | C15 | H27 | 61.2° | 180.0° |
C15 | C14 | O5 | H24 | 58.2° | 180.0° |
C14 | C15 | H25 | H26 | 120.0° | 120.1° |
C14 | C15 | H25 | H27 | 120.0° | 120.0° |
C14 | C15 | H26 | H27 | 120.0° | 120.0° |
H23 | C14 | O5 | H24 | 61.1° | 60.0° |
H23 | C14 | C15 | H25 | 61.2° | 180.0° |
H23 | C14 | C15 | H26 | 58.8° | 59.9° |
H23 | C14 | C15 | H27 | 178.8° | 60.0° |
H25 | C15 | H26 | H27 | 120.0° | 120.0° |
C16 | N8 | H28 | C13 | 180.0° | 178.9° |
N8 | C16 | C17 | C18 | 122.4° | 120.4° |
N8 | C16 | C17 | H29 | 119.6° | 120.3° |
N8 | C16 | C18 | H29 | 119.4° | 119.5° |
N8 | C16 | C17 | O6 | 144.4° | 38.7° |
N8 | C16 | C18 | C19 | 56.9° | 65.0° |
N8 | C16 | C18 | H30 | 64.0° | 55.0° |
N8 | C16 | C18 | H31 | 177.7° | 175.0° |
N8 | C16 | C17 | N10 | 35.1° | 141.7° |
H28 | N8 | C16 | C17 | 85.3° | 108.3° |
H28 | N8 | C16 | C18 | 36.8° | 12.1° |
H28 | N8 | C16 | H29 | 155.6° | 131.5° |
C17 | C16 | C18 | H29 | 118.1° | 119.2° |
C16 | C17 | O6 | N10 | 179.4° | 179.6° |
C17 | C16 | C18 | C19 | 179.4° | 173.7° |
C17 | C16 | C18 | H30 | 58.6° | 66.3° |
C17 | C16 | C18 | H31 | 59.7° | 53.7° |
C16 | C17 | N10 | C22 | 178.9° | 177.5° |
C16 | C17 | N10 | H41 | 1.1° | 2.5° |
C17 | C16 | N8 | C13 | 94.7° | 72.7° |
C18 | C16 | C17 | O6 | 22.0° | 81.7° |
C16 | C18 | C19 | H30 | 120.8° | 120.0° |
C16 | C18 | C19 | H31 | 120.8° | 120.0° |
C16 | C18 | H30 | H31 | 117.4° | 120.0° |
C16 | C18 | C19 | C20 | 76.4° | 180.0° |
C16 | C18 | C19 | H32 | 43.9° | 60.0° |
C16 | C18 | C19 | H33 | 163.2° | 60.0° |
C18 | C16 | N8 | C13 | 143.1° | 166.9° |
C18 | C16 | C17 | N10 | 157.4° | 97.9° |
H29 | C16 | C17 | O6 | 96.0° | 159.0° |
H29 | C16 | C18 | C19 | 62.5° | 54.5° |
H29 | C16 | C18 | H30 | 176.7° | 174.5° |
H29 | C16 | C18 | H31 | 58.3° | 65.5° |
H29 | C16 | N8 | C13 | 24.4° | 47.5° |
H29 | C16 | C17 | N10 | 84.6° | 21.4° |
O6 | C17 | N10 | C22 | 0.5° | 2.1° |
O6 | C17 | N10 | H41 | 179.5° | 177.9° |
C19 | C18 | H30 | H31 | 117.4° | 120.0° |
C18 | C19 | C20 | H32 | 120.3° | 120.0° |
C18 | C19 | C20 | H33 | 120.3° | 120.0° |
C18 | C19 | H32 | H33 | 118.9° | 120.0° |
C18 | C19 | C20 | C21 | 179.3° | 180.0° |
C18 | C19 | C20 | H34 | 60.4° | 60.0° |
C18 | C19 | C20 | H35 | 58.8° | 60.0° |
H30 | C18 | C19 | C20 | 162.8° | 60.0° |
H30 | C18 | C19 | H32 | 76.9° | 180.0° |
H30 | C18 | C19 | H33 | 42.4° | 60.0° |
H31 | C18 | C19 | C20 | 44.4° | 60.0° |
H31 | C18 | C19 | H32 | 164.8° | 60.0° |
H31 | C18 | C19 | H33 | 75.9° | 180.0° |
C20 | C19 | H32 | H33 | 118.9° | 120.0° |
C19 | C20 | C21 | H34 | 120.4° | 120.0° |
C19 | C20 | C21 | H35 | 120.4° | 120.0° |
C19 | C20 | H34 | H35 | 118.8° | 120.0° |
C19 | C20 | C21 | N9 | 73.1° | 180.0° |
C19 | C20 | C21 | H36 | 166.3° | 60.0° |
C19 | C20 | C21 | H37 | 47.4° | 60.0° |
H32 | C19 | C20 | C21 | 58.9° | 60.0° |
H32 | C19 | C20 | H34 | 179.3° | 180.0° |
H32 | C19 | C20 | H35 | 61.5° | 60.0° |
H33 | C19 | C20 | C21 | 60.4° | 60.0° |
H33 | C19 | C20 | H34 | 60.0° | 60.0° |
H33 | C19 | C20 | H35 | 179.2° | 180.0° |
C21 | C20 | H34 | H35 | 118.8° | 120.0° |
C20 | C21 | N9 | H36 | 120.6° | 120.0° |
C20 | C21 | N9 | H37 | 120.6° | 119.9° |
C20 | C21 | H36 | H37 | 118.1° | 120.0° |
C20 | C21 | N9 | H38 | 180.0° | 180.0° |
C20 | C21 | N9 | H39 | 60.0° | 60.0° |
C20 | C21 | N9 | H40 | 60.0° | 60.0° |
H34 | C20 | C21 | N9 | 47.3° | 60.0° |
H34 | C20 | C21 | H36 | 73.3° | 180.0° |
H34 | C20 | C21 | H37 | 167.8° | 59.9° |
H35 | C20 | C21 | N9 | 166.5° | 60.0° |
H35 | C20 | C21 | H36 | 45.9° | 59.9° |
H35 | C20 | C21 | H37 | 73.0° | 180.0° |
N9 | C21 | H36 | H37 | 118.2° | 120.0° |
C21 | N9 | H38 | H39 | 120.0° | 120.0° |
C21 | N9 | H38 | H40 | 120.0° | 120.0° |
C21 | N9 | H39 | H40 | 120.0° | 120.0° |
H36 | C21 | N9 | H38 | 59.4° | 60.0° |
H36 | C21 | N9 | H39 | 179.4° | 180.0° |
H36 | C21 | N9 | H40 | 60.6° | 60.0° |
H37 | C21 | N9 | H38 | 59.4° | 60.0° |
H37 | C21 | N9 | H39 | 60.6° | 59.9° |
H37 | C21 | N9 | H40 | 179.4° | 180.0° |
H38 | N9 | H39 | H40 | 120.0° | 120.1° |
C22 | N10 | H41 | C17 | 180.0° | 179.9° |
N10 | C22 | C23 | C24 | 122.4° | 119.2° |
N10 | C22 | C23 | H42 | 120.0° | 119.6° |
N10 | C22 | C24 | H42 | 119.2° | 120.5° |
N10 | C22 | C23 | O7 | 3.8° | 22.8° |
N10 | C22 | C24 | O8 | 62.6° | 65.0° |
N10 | C22 | C24 | H43 | 177.2° | 55.0° |
N10 | C22 | C24 | H44 | 57.5° | 175.1° |
N10 | C22 | C23 | N11 | 176.5° | 157.9° |
H41 | N10 | C22 | C23 | 72.8° | 24.4° |
H41 | N10 | C22 | C24 | 49.0° | 95.2° |
H41 | N10 | C22 | H42 | 167.6° | 144.2° |
C23 | C22 | C24 | H42 | 117.6° | 121.3° |
C22 | C23 | O7 | N11 | 179.7° | 179.3° |
C23 | C22 | C24 | O8 | 60.6° | 176.8° |
C23 | C22 | C24 | H43 | 59.6° | 63.2° |
C23 | C22 | C24 | H44 | 179.2° | 56.9° |
C22 | C23 | N11 | C25 | 177.8° | 169.8° |
C22 | C23 | N11 | H46 | 2.3° | 11.3° |
C23 | C22 | N10 | C17 | 107.1° | 155.7° |
C24 | C22 | C23 | O7 | 118.5° | 142.0° |
C22 | C24 | O8 | H43 | 120.1° | 120.0° |
C22 | C24 | O8 | H44 | 120.2° | 120.0° |
C22 | C24 | H43 | H44 | 119.5° | 120.0° |
C22 | C24 | O8 | H45 | 180.0° | 180.0° |
C24 | C22 | N10 | C17 | 131.0° | 84.7° |
C24 | C22 | C23 | N11 | 61.2° | 38.7° |
H42 | C22 | C23 | O7 | 123.9° | 96.8° |
H42 | C22 | C24 | O8 | 178.2° | 55.6° |
H42 | C22 | C24 | H43 | 58.0° | 175.6° |
H42 | C22 | C24 | H44 | 61.7° | 64.4° |
H42 | C22 | N10 | C17 | 12.4° | 35.9° |
H42 | C22 | C23 | N11 | 56.4° | 82.5° |
O7 | C23 | N11 | C25 | 1.9° | 10.9° |
O7 | C23 | N11 | H46 | 178.0° | 167.9° |
O8 | C24 | H43 | H44 | 119.5° | 120.0° |
H43 | C24 | O8 | H45 | 59.8° | 60.0° |
H44 | C24 | O8 | H45 | 59.8° | 60.0° |
C25 | N11 | H46 | C23 | 180.0° | 178.8° |
N11 | C25 | C26 | C27 | 122.9° | 122.9° |
N11 | C25 | C26 | H47 | 119.8° | 119.2° |
N11 | C25 | C27 | H47 | 120.1° | 118.3° |
N11 | C25 | C26 | O9 | 65.0° | 123.2° |
N11 | C25 | C27 | C28 | 62.0° | 60.0° |
N11 | C25 | C27 | C29 | 175.1° | 180.0° |
N11 | C25 | C27 | H48 | 56.6° | 60.0° |
N11 | C25 | C26 | N12 | 114.5° | 56.9° |
H46 | N11 | C25 | C26 | 50.4° | 50.9° |
H46 | N11 | C25 | C27 | 70.8° | 72.1° |
H46 | N11 | C25 | H47 | 169.7° | 169.9° |
C26 | C25 | C27 | H47 | 117.4° | 118.0° |
C25 | C26 | O9 | N12 | 179.4° | 179.9° |
C26 | C25 | C27 | C28 | 175.5° | 176.4° |
C26 | C25 | C27 | C29 | 52.6° | 56.4° |
C26 | C25 | C27 | H48 | 66.0° | 63.6° |
C25 | C26 | N12 | C31 | 2.9° | 175.3° |
C25 | C26 | N12 | C35 | 173.0° | 4.3° |
C26 | C25 | N11 | C23 | 129.6° | 130.3° |
C27 | C25 | C26 | O9 | 57.9° | 113.9° |
C25 | C27 | C28 | C29 | 122.8° | 120.0° |
C25 | C27 | C28 | H48 | 118.5° | 120.0° |
C25 | C27 | C29 | H48 | 118.4° | 120.0° |
C25 | C27 | C28 | C30 | 172.9° | 175.0° |
C25 | C27 | C28 | H49 | 66.5° | 65.0° |
C25 | C27 | C28 | H50 | 52.2° | 55.0° |
C25 | C27 | C29 | H51 | 180.0° | 60.0° |
C25 | C27 | C29 | H52 | 60.0° | 60.0° |
C25 | C27 | C29 | H53 | 60.0° | 180.0° |
C27 | C25 | N11 | C23 | 109.2° | 106.8° |
C27 | C25 | C26 | N12 | 122.6° | 66.0° |
H47 | C25 | C26 | O9 | 175.2° | 4.0° |
H47 | C25 | C27 | C28 | 58.1° | 58.3° |
H47 | C25 | C27 | C29 | 64.8° | 61.7° |
H47 | C25 | C27 | H48 | 176.7° | 178.3° |
H47 | C25 | N11 | C23 | 10.3° | 11.3° |
H47 | C25 | C26 | N12 | 5.4° | 176.1° |
O9 | C26 | N12 | C31 | 176.6° | 4.6° |
O9 | C26 | N12 | C35 | 7.6° | 175.8° |
C28 | C27 | C29 | H48 | 118.7° | 120.0° |
C27 | C28 | C30 | H49 | 120.7° | 120.0° |
C27 | C28 | C30 | H50 | 120.6° | 120.0° |
C27 | C28 | H49 | H50 | 118.0° | 120.1° |
C28 | C27 | C29 | H51 | 57.2° | 180.0° |
C28 | C27 | C29 | H52 | 177.2° | 60.0° |
C28 | C27 | C29 | H53 | 62.9° | 60.0° |
C27 | C28 | C30 | H54 | 180.0° | 60.0° |
C27 | C28 | C30 | H55 | 60.0° | 180.0° |
C27 | C28 | C30 | H56 | 60.0° | 60.0° |
C29 | C27 | C28 | C30 | 64.3° | 65.0° |
C29 | C27 | C28 | H49 | 56.3° | 55.0° |
C29 | C27 | C28 | H50 | 175.0° | 175.0° |
C27 | C29 | H51 | H52 | 120.0° | 120.0° |
C27 | C29 | H51 | H53 | 120.0° | 120.0° |
C27 | C29 | H52 | H53 | 120.0° | 120.0° |
H48 | C27 | C28 | C30 | 54.4° | 55.0° |
H48 | C27 | C28 | H49 | 175.0° | 175.0° |
H48 | C27 | C28 | H50 | 66.2° | 64.9° |
H48 | C27 | C29 | H51 | 61.6° | 60.0° |
H48 | C27 | C29 | H52 | 58.4° | 180.0° |
H48 | C27 | C29 | H53 | 178.4° | 60.0° |
C30 | C28 | H49 | H50 | 118.0° | 120.0° |
C28 | C30 | H54 | H55 | 120.0° | 119.9° |
C28 | C30 | H54 | H56 | 120.0° | 120.0° |
C28 | C30 | H55 | H56 | 120.0° | 120.0° |
H49 | C28 | C30 | H54 | 59.3° | 60.0° |
H49 | C28 | C30 | H55 | 179.3° | 60.0° |
H49 | C28 | C30 | H56 | 60.7° | 180.0° |
H50 | C28 | C30 | H54 | 59.4° | 180.0° |
H50 | C28 | C30 | H55 | 60.6° | 60.0° |
H50 | C28 | C30 | H56 | 179.4° | 60.0° |
H51 | C29 | H52 | H53 | 120.0° | 120.0° |
H54 | C30 | H55 | H56 | 120.0° | 120.1° |
C31 | N12 | C35 | C26 | 176.3° | 179.6° |
N12 | C31 | C32 | C33 | 114.1° | 120.1° |
N12 | C31 | C32 | H57 | 123.9° | 119.2° |
N12 | C31 | C33 | H57 | 118.8° | 116.2° |
N12 | C31 | C32 | O10 | 25.9° | 7.6° |
N12 | C31 | C33 | C34 | 26.8° | 7.8° |
N12 | C31 | C33 | H58 | 146.0° | 126.6° |
N12 | C31 | C33 | H59 | 92.4° | 110.8° |
C31 | N12 | C35 | C34 | 10.1° | 31.9° |
C31 | N12 | C35 | H62 | 108.9° | 151.4° |
C31 | N12 | C35 | H63 | 129.1° | 85.8° |
N12 | C31 | C32 | N13 | 153.7° | 172.4° |
C35 | N12 | C31 | C32 | 108.3° | 98.3° |
C35 | N12 | C31 | C33 | 10.2° | 24.9° |
C35 | N12 | C31 | H57 | 128.3° | 141.5° |
N12 | C35 | C34 | C33 | 27.2° | 26.2° |
N12 | C35 | C34 | H62 | 119.0° | 120.9° |
N12 | C35 | C34 | H63 | 119.0° | 118.1° |
N12 | C35 | C34 | H60 | 92.3° | 144.9° |
N12 | C35 | C34 | H61 | 146.6° | 92.3° |
N12 | C35 | H62 | H63 | 122.8° | 122.6° |
C32 | C31 | C33 | H57 | 122.0° | 121.3° |
C31 | C32 | O10 | N13 | 179.6° | 179.9° |
C32 | C31 | C33 | C34 | 92.4° | 114.6° |
C32 | C31 | C33 | H58 | 26.8° | 4.1° |
C32 | C31 | C33 | H59 | 148.4° | 126.7° |
C31 | C32 | N13 | C36 | 179.8° | 167.3° |
C31 | C32 | N13 | C40 | 0.0° | 12.9° |
C32 | C31 | N12 | C26 | 75.4° | 82.1° |
C33 | C31 | C32 | O10 | 88.2° | 127.7° |
C31 | C33 | C34 | H58 | 119.2° | 119.5° |
C31 | C33 | C34 | H59 | 119.2° | 118.8° |
C31 | C33 | H58 | H59 | 122.3° | 122.2° |
C31 | C33 | C34 | C35 | 33.9° | 11.0° |
C31 | C33 | C34 | H60 | 85.5° | 129.7° |
C31 | C33 | C34 | H61 | 153.3° | 107.4° |
C33 | C31 | N12 | C26 | 166.1° | 154.8° |
C33 | C31 | C32 | N13 | 92.2° | 52.4° |
H57 | C31 | C32 | O10 | 149.8° | 111.6° |
H57 | C31 | C33 | C34 | 145.6° | 124.0° |
H57 | C31 | C33 | H58 | 95.2° | 117.2° |
H57 | C31 | C33 | H59 | 26.4° | 5.3° |
H57 | C31 | N12 | C26 | 48.0° | 38.1° |
H57 | C31 | C32 | N13 | 29.8° | 68.3° |
O10 | C32 | N13 | C36 | 0.1° | 12.7° |
O10 | C32 | N13 | C40 | 179.6° | 167.1° |
C34 | C33 | H58 | H59 | 122.3° | 121.4° |
C33 | C34 | C35 | H60 | 119.5° | 118.8° |
C33 | C34 | C35 | H61 | 119.4° | 118.4° |
C33 | C34 | H60 | H61 | 121.7° | 122.5° |
C33 | C34 | C35 | H62 | 91.8° | 147.1° |
C33 | C34 | C35 | H63 | 146.2° | 92.0° |
H58 | C33 | C34 | C35 | 153.1° | 108.5° |
H58 | C33 | C34 | H60 | 33.7° | 10.3° |
H58 | C33 | C34 | H61 | 87.4° | 133.2° |
H59 | C33 | C34 | C35 | 85.3° | 129.8° |
H59 | C33 | C34 | H60 | 155.3° | 111.5° |
H59 | C33 | C34 | H61 | 34.2° | 11.4° |
C35 | C34 | H60 | H61 | 121.6° | 122.2° |
C34 | C35 | H62 | H63 | 122.8° | 120.3° |
C34 | C35 | N12 | C26 | 173.6° | 147.7° |
H60 | C34 | C35 | H62 | 148.7° | 94.1° |
H60 | C34 | C35 | H63 | 26.8° | 26.8° |
H61 | C34 | C35 | H62 | 27.6° | 28.6° |
H61 | C34 | C35 | H63 | 94.3° | 149.6° |
H62 | C35 | N12 | C26 | 67.4° | 28.2° |
H63 | C35 | N12 | C26 | 54.6° | 94.6° |
C36 | N13 | C40 | C32 | 179.8° | 179.8° |
N13 | C36 | C37 | C38 | 113.4° | 116.8° |
N13 | C36 | C37 | H64 | 124.6° | 123.7° |
N13 | C36 | C38 | H64 | 119.0° | 119.6° |
N13 | C36 | C37 | O11 | 29.2° | 30.0° |
N13 | C36 | C38 | C39 | 27.6° | 26.0° |
N13 | C36 | C38 | H65 | 146.7° | 143.9° |
N13 | C36 | C38 | H66 | 91.6° | 93.4° |
C36 | N13 | C40 | C39 | 12.9° | 12.6° |
C36 | N13 | C40 | H69 | 106.1° | 132.5° |
C36 | N13 | C40 | H70 | 131.9° | 106.4° |
N13 | C36 | C37 | N14 | 150.5° | 150.3° |
C40 | N13 | C36 | C37 | 108.4° | 92.8° |
C40 | N13 | C36 | C38 | 9.1° | 24.2° |
C40 | N13 | C36 | H64 | 127.4° | 143.3° |
N13 | C40 | C39 | C38 | 30.1° | 4.1° |
N13 | C40 | C39 | H69 | 119.0° | 120.1° |
N13 | C40 | C39 | H70 | 119.0° | 119.3° |
N13 | C40 | C39 | H67 | 89.2° | 114.4° |
N13 | C40 | C39 | H68 | 149.4° | 123.7° |
N13 | C40 | H69 | H70 | 122.9° | 120.9° |
C37 | C36 | C38 | H64 | 122.0° | 120.3° |
C36 | C37 | O11 | N14 | 179.7° | 179.7° |
C37 | C36 | C38 | C39 | 91.4° | 94.1° |
C37 | C36 | C38 | H65 | 27.8° | 23.8° |
C37 | C36 | C38 | H66 | 149.5° | 146.5° |
C36 | C37 | N14 | C41 | 171.9° | 161.4° |
C36 | C37 | N14 | H71 | 8.0° | 17.9° |
C37 | C36 | N13 | C32 | 71.8° | 87.0° |
C38 | C36 | C37 | O11 | 84.2° | 86.9° |
C36 | C38 | C39 | H65 | 119.2° | 117.6° |
C36 | C38 | C39 | H66 | 119.1° | 119.2° |
C36 | C38 | H65 | H66 | 122.4° | 122.7° |
C36 | C38 | C39 | C40 | 36.3° | 18.0° |
C36 | C38 | C39 | H67 | 83.0° | 100.5° |
C36 | C38 | C39 | H68 | 155.6° | 137.7° |
C38 | C36 | N13 | C32 | 170.7° | 156.0° |
C38 | C36 | C37 | N14 | 96.1° | 92.9° |
H64 | C36 | C37 | O11 | 153.9° | 153.7° |
H64 | C36 | C38 | C39 | 146.6° | 145.6° |
H64 | C36 | C38 | H65 | 94.2° | 96.6° |
H64 | C36 | C38 | H66 | 27.5° | 26.2° |
H64 | C36 | N13 | C32 | 52.3° | 36.9° |
H64 | C36 | C37 | N14 | 25.8° | 26.6° |
O11 | C37 | N14 | C41 | 8.4° | 18.3° |
O11 | C37 | N14 | H71 | 171.7° | 162.4° |
C39 | C38 | H65 | H66 | 122.4° | 123.2° |
C38 | C39 | C40 | H67 | 119.2° | 118.5° |
C38 | C39 | C40 | H68 | 119.3° | 119.6° |
C38 | C39 | H67 | H68 | 122.1° | 121.9° |
C38 | C39 | C40 | H69 | 88.9° | 116.0° |
C38 | C39 | C40 | H70 | 149.1° | 123.4° |
H65 | C38 | C39 | C40 | 155.5° | 135.6° |
H65 | C38 | C39 | H67 | 36.2° | 17.2° |
H65 | C38 | C39 | H68 | 85.2° | 104.7° |
H66 | C38 | C39 | C40 | 82.8° | 101.2° |
H66 | C38 | C39 | H67 | 157.9° | 140.3° |
H66 | C38 | C39 | H68 | 36.4° | 18.5° |
C40 | C39 | H67 | H68 | 122.2° | 122.1° |
C39 | C40 | H69 | H70 | 122.9° | 120.2° |
C39 | C40 | N13 | C32 | 167.4° | 167.6° |
H67 | C39 | C40 | H69 | 151.9° | 125.5° |
H67 | C39 | C40 | H70 | 29.9° | 4.9° |
H68 | C39 | C40 | H69 | 30.4° | 3.6° |
H68 | C39 | C40 | H70 | 91.6° | 117.0° |
H69 | C40 | N13 | C32 | 73.7° | 47.7° |
H70 | C40 | N13 | C32 | 48.4° | 73.4° |
C41 | N14 | H71 | C37 | 180.0° | 179.4° |
N14 | C41 | C42 | C43 | 121.8° | 123.4° |
N14 | C41 | C42 | H72 | 119.3° | 119.7° |
N14 | C41 | C43 | H72 | 120.9° | 120.2° |
N14 | C41 | C42 | O12 | 68.9° | 100.9° |
N14 | C41 | C43 | C44 | 61.1° | 176.7° |
N14 | C41 | C43 | C45 | 175.8° | 56.7° |
N14 | C41 | C43 | H73 | 57.1° | 63.3° |
N14 | C41 | C42 | N15 | 110.0° | 79.7° |
H71 | N14 | C41 | C42 | 81.4° | 24.3° |
H71 | N14 | C41 | C43 | 39.7° | 145.2° |
H71 | N14 | C41 | H72 | 159.9° | 94.8° |
C42 | C41 | C43 | H72 | 119.1° | 116.5° |
C41 | C42 | O12 | N15 | 178.9° | 179.4° |
C42 | C41 | C43 | C44 | 178.8° | 53.4° |
C42 | C41 | C43 | C45 | 55.7° | 66.6° |
C42 | C41 | C43 | H73 | 63.0° | 173.4° |
C41 | C42 | N15 | C47 | 173.5° | 176.4° |
C41 | C42 | N15 | H82 | 6.6° | 4.1° |
C42 | C41 | N14 | C37 | 98.5° | 156.4° |
C43 | C41 | C42 | O12 | 52.8° | 22.4° |
C41 | C43 | C44 | C45 | 122.9° | 120.0° |
C41 | C43 | C44 | H73 | 118.1° | 120.0° |
C41 | C43 | C45 | H73 | 118.6° | 120.0° |
C41 | C43 | C44 | C46 | 172.8° | 65.0° |
C41 | C43 | C44 | H74 | 66.5° | 175.0° |
C41 | C43 | C44 | H75 | 52.1° | 55.1° |
C41 | C43 | C45 | H76 | 180.0° | 68.8° |
C41 | C43 | C45 | H77 | 60.0° | 171.1° |
C41 | C43 | C45 | H78 | 60.0° | 51.1° |
C43 | C41 | N14 | C37 | 140.3° | 35.5° |
C43 | C41 | C42 | N15 | 128.2° | 156.9° |
H72 | C41 | C42 | O12 | 171.8° | 139.4° |
H72 | C41 | C43 | C44 | 59.7° | 63.1° |
H72 | C41 | C43 | C45 | 63.3° | 176.9° |
H72 | C41 | C43 | H73 | 178.0° | 56.9° |
H72 | C41 | N14 | C37 | 20.1° | 84.5° |
H72 | C41 | C42 | N15 | 9.3° | 40.0° |
O12 | C42 | N15 | C47 | 5.4° | 3.0° |
O12 | C42 | N15 | H82 | 174.5° | 176.5° |
C44 | C43 | C45 | H73 | 118.9° | 120.0° |
C43 | C44 | C46 | H74 | 120.7° | 120.0° |
C43 | C44 | C46 | H75 | 120.7° | 120.0° |
C43 | C44 | H74 | H75 | 117.9° | 120.0° |
C44 | C43 | C45 | H76 | 57.5° | 51.2° |
C44 | C43 | C45 | H77 | 177.5° | 68.9° |
C44 | C43 | C45 | H78 | 62.5° | 171.1° |
C43 | C44 | C46 | H79 | 180.0° | 180.0° |
C43 | C44 | C46 | H80 | 60.0° | 60.0° |
C43 | C44 | C46 | H81 | 60.0° | 60.0° |
C45 | C43 | C44 | C46 | 64.3° | 175.0° |
C45 | C43 | C44 | H74 | 56.3° | 55.0° |
C45 | C43 | C44 | H75 | 175.0° | 65.0° |
C43 | C45 | H76 | H77 | 120.0° | 120.0° |
C43 | C45 | H76 | H78 | 120.0° | 119.9° |
C43 | C45 | H77 | H78 | 120.0° | 120.0° |
H73 | C43 | C44 | C46 | 54.7° | 55.0° |
H73 | C43 | C44 | H74 | 175.3° | 65.0° |
H73 | C43 | C44 | H75 | 66.0° | 175.0° |
H73 | C43 | C45 | H76 | 61.4° | 171.1° |
H73 | C43 | C45 | H77 | 58.6° | 51.1° |
H73 | C43 | C45 | H78 | 178.6° | 68.9° |
C46 | C44 | H74 | H75 | 117.9° | 120.0° |
C44 | C46 | H79 | H80 | 120.0° | 120.0° |
C44 | C46 | H79 | H81 | 120.0° | 119.9° |
C44 | C46 | H80 | H81 | 120.0° | 119.9° |
H74 | C44 | C46 | H79 | 59.3° | 60.0° |
H74 | C44 | C46 | H80 | 179.3° | 180.0° |
H74 | C44 | C46 | H81 | 60.7° | 60.0° |
H75 | C44 | C46 | H79 | 59.3° | 60.0° |
H75 | C44 | C46 | H80 | 60.6° | 60.0° |
H75 | C44 | C46 | H81 | 179.3° | 180.0° |
H76 | C45 | H77 | H78 | 120.0° | 120.0° |
H79 | C46 | H80 | H81 | 120.0° | 120.1° |
C47 | N15 | H82 | C42 | 180.0° | 179.5° |
N15 | C47 | C48 | C49 | 124.3° | 122.0° |
N15 | C47 | C48 | H83 | 119.7° | 119.6° |
N15 | C47 | C49 | H83 | 117.8° | 118.4° |
N15 | C47 | C48 | O13 | 26.7° | 18.3° |
N15 | C47 | C49 | S2 | 60.4° | 116.3° |
N15 | C47 | C49 | H84 | 60.4° | 3.9° |
N15 | C47 | C49 | H85 | 178.8° | 123.6° |
N15 | C47 | C48 | N16 | 153.9° | 161.3° |
H82 | N15 | C47 | C48 | 64.0° | 4.5° |
H82 | N15 | C47 | C49 | 59.4° | 117.9° |
H82 | N15 | C47 | H83 | 176.7° | 123.8° |
C48 | C47 | C49 | H83 | 116.1° | 118.0° |
C47 | C48 | O13 | N16 | 179.4° | 179.7° |
C48 | C47 | C49 | S2 | 173.5° | 120.1° |
C48 | C47 | C49 | H84 | 65.7° | 119.7° |
C48 | C47 | C49 | H85 | 52.8° | 0.1° |
C47 | C48 | N16 | C50 | 176.2° | 168.7° |
C47 | C48 | N16 | H86 | 3.8° | 11.7° |
C48 | C47 | N15 | C42 | 116.0° | 176.0° |
C49 | C47 | C48 | O13 | 97.6° | 140.3° |
C47 | C49 | S2 | H84 | 120.8° | 120.0° |
C47 | C49 | S2 | H85 | 120.8° | 120.1° |
C47 | C49 | H84 | H85 | 117.6° | 120.0° |
C47 | C49 | S2 | S1 | 87.5° | 118.5° |
C49 | C47 | N15 | C42 | 120.6° | 61.6° |
C49 | C47 | C48 | N16 | 81.8° | 39.4° |
H83 | C47 | C48 | O13 | 146.4° | 101.3° |
H83 | C47 | C49 | S2 | 57.4° | 2.1° |
H83 | C47 | C49 | H84 | 178.2° | 122.3° |
H83 | C47 | C49 | H85 | 63.3° | 117.9° |
H83 | C47 | N15 | C42 | 3.3° | 56.8° |
H83 | C47 | C48 | N16 | 34.2° | 79.0° |
O13 | C48 | N16 | C50 | 3.1° | 11.6° |
O13 | C48 | N16 | H86 | 176.8° | 168.0° |
S2 | C49 | H84 | H85 | 117.6° | 120.0° |
H84 | C49 | S2 | S1 | 151.7° | 121.5° |
H85 | C49 | S2 | S1 | 33.3° | 1.6° |
C50 | N16 | H86 | C48 | 180.0° | 179.6° |
N16 | C50 | C51 | C52 | 123.1° | 119.0° |
N16 | C50 | C51 | H87 | 118.7° | 120.8° |
N16 | C50 | C52 | H87 | 119.0° | 118.7° |
N16 | C50 | C51 | O14 | 25.9° | 4.7° |
N16 | C50 | C52 | C53 | 70.3° | 65.0° |
N16 | C50 | C52 | H88 | 50.3° | 55.0° |
N16 | C50 | C52 | H89 | 169.1° | 175.0° |
N16 | C50 | C51 | N17 | 154.0° | 175.3° |
H86 | N16 | C50 | C51 | 49.2° | 82.1° |
H86 | N16 | C50 | C52 | 74.2° | 38.0° |
H86 | N16 | C50 | H87 | 167.4° | 156.7° |
C51 | C50 | C52 | H87 | 118.3° | 120.5° |
C50 | C51 | O14 | N17 | 179.9° | 180.0° |
C51 | C50 | C52 | C53 | 166.9° | 174.2° |
C51 | C50 | C52 | H88 | 72.5° | 65.8° |
C51 | C50 | C52 | H89 | 46.3° | 54.2° |
C50 | C51 | N17 | C59 | 174.8° | 178.1° |
C50 | C51 | N17 | C63 | 9.6° | 2.1° |
C51 | C50 | N16 | C48 | 130.8° | 97.5° |
C52 | C50 | C51 | O14 | 97.2° | 114.3° |
C50 | C52 | C53 | H88 | 120.6° | 120.0° |
C50 | C52 | C53 | H89 | 120.6° | 120.0° |
C50 | C52 | H88 | H89 | 118.1° | 120.0° |
C50 | C52 | C53 | C54 | 77.8° | 90.0° |
C50 | C52 | C53 | C55 | 101.8° | 90.3° |
C52 | C50 | N16 | C48 | 105.8° | 142.4° |
C52 | C50 | C51 | N17 | 82.9° | 65.8° |
H87 | C50 | C51 | O14 | 144.6° | 125.5° |
H87 | C50 | C52 | C53 | 48.6° | 53.7° |
H87 | C50 | C52 | H88 | 169.3° | 173.7° |
H87 | C50 | C52 | H89 | 72.0° | 66.3° |
H87 | C50 | N16 | C48 | 12.6° | 23.7° |
H87 | C50 | C51 | N17 | 35.3° | 54.4° |
O14 | C51 | N17 | C59 | 5.1° | 1.9° |
O14 | C51 | N17 | C63 | 170.5° | 178.0° |
C53 | C52 | H88 | H89 | 118.1° | 120.0° |
C52 | C53 | C54 | C55 | 179.6° | 179.8° |
C52 | C53 | C54 | C56 | 179.7° | 180.0° |
C52 | C53 | C54 | H90 | 0.3° | 0.0° |
C52 | C53 | C55 | C57 | 179.8° | 180.0° |
C52 | C53 | C55 | H91 | 0.2° | 0.1° |
H88 | C52 | C53 | C54 | 161.6° | 30.0° |
H88 | C52 | C53 | C55 | 18.9° | 149.7° |
H89 | C52 | C53 | C54 | 42.8° | 150.0° |
H89 | C52 | C53 | C55 | 137.6° | 29.8° |
C53 | C54 | C56 | H90 | 180.0° | 180.0° |
C54 | C53 | C55 | C57 | 0.2° | 0.2° |
C54 | C53 | C55 | H91 | 179.8° | 179.7° |
C53 | C54 | C56 | C58 | 0.0° | NaN° |
C53 | C54 | C56 | H92 | 179.9° | 179.9° |
C55 | C53 | C54 | C56 | 0.1° | 0.2° |
C55 | C53 | C54 | H90 | 179.9° | 179.7° |
C53 | C55 | C57 | H91 | 180.0° | 179.9° |
C53 | C55 | C57 | C58 | 0.2° | 0.0° |
C53 | C55 | C57 | H93 | 179.8° | 179.9° |
C54 | C56 | C58 | H92 | 180.0° | 179.9° |
C54 | C56 | C58 | C57 | 0.0° | 0.2° |
C54 | C56 | C58 | H94 | 180.0° | 180.0° |
H90 | C54 | C56 | C58 | 180.0° | 180.0° |
H90 | C54 | C56 | H92 | 0.1° | 0.1° |
C55 | C57 | C58 | C56 | 0.1° | 0.2° |
C55 | C57 | C58 | H93 | 180.0° | 179.9° |
C55 | C57 | C58 | H94 | 179.9° | 180.0° |
H91 | C55 | C57 | C58 | 179.8° | 179.9° |
H91 | C55 | C57 | H93 | 0.2° | 0.0° |
C56 | C58 | C57 | H94 | 180.0° | 179.8° |
C56 | C58 | C57 | H93 | 179.9° | 179.7° |
H92 | C56 | C58 | C57 | 180.0° | 179.8° |
H92 | C56 | C58 | H94 | 0.1° | 0.0° |
H93 | C57 | C58 | H94 | 0.1° | 0.1° |
C59 | N17 | C63 | C51 | 176.0° | 179.9° |
N17 | C59 | C60 | C61 | 115.6° | 117.3° |
N17 | C59 | C60 | H95 | 123.5° | 122.6° |
N17 | C59 | C61 | H95 | 117.7° | 120.3° |
N17 | C59 | C60 | O15 | 144.1° | 7.2° |
N17 | C59 | C61 | C62 | 19.0° | 22.4° |
N17 | C59 | C61 | H96 | 138.3° | 141.0° |
N17 | C59 | C61 | H97 | 100.4° | 96.4° |
C59 | N17 | C63 | C62 | 20.4° | 15.6° |
C59 | N17 | C63 | H100 | 98.5° | 135.6° |
C59 | N17 | C63 | H101 | 139.3° | 103.2° |
N17 | C59 | C60 | N18 | 35.4° | 173.2° |
C63 | N17 | C59 | C60 | 121.0° | 94.2° |
C63 | N17 | C59 | C61 | 1.0° | 23.9° |
C63 | N17 | C59 | H95 | 116.0° | 143.6° |
N17 | C63 | C62 | C61 | 31.8° | 1.1° |
N17 | C63 | C62 | H100 | 118.9° | 120.3° |
N17 | C63 | C62 | H101 | 119.0° | 119.1° |
N17 | C63 | C62 | H98 | 87.6° | 120.0° |
N17 | C63 | C62 | H99 | 151.2° | 118.6° |
N17 | C63 | H100 | H101 | 123.1° | 121.1° |
C60 | C59 | C61 | H95 | 121.0° | 120.2° |
C59 | C60 | O15 | N18 | 179.5° | 179.6° |
C60 | C59 | C61 | C62 | 102.4° | 97.1° |
C60 | C59 | C61 | H96 | 16.9° | 21.5° |
C60 | C59 | C61 | H97 | 138.3° | 144.1° |
C59 | C60 | N18 | C64 | 178.7° | 178.2° |
C59 | C60 | N18 | H102 | 1.2° | 2.3° |
C60 | C59 | N17 | C51 | 55.2° | 85.7° |
C61 | C59 | C60 | O15 | 100.3° | 124.5° |
C59 | C61 | C62 | H96 | 119.3° | 118.9° |
C59 | C61 | C62 | H97 | 119.3° | 118.9° |
C59 | C61 | H96 | H97 | 121.9° | 122.6° |
C59 | C61 | C62 | C63 | 32.0° | 12.8° |
C59 | C61 | C62 | H98 | 87.3° | 106.0° |
C59 | C61 | C62 | H99 | 151.4° | 132.4° |
C61 | C59 | N17 | C51 | 175.2° | 156.2° |
C61 | C59 | C60 | N18 | 80.2° | 55.9° |
H95 | C59 | C60 | O15 | 20.6° | 115.4° |
H95 | C59 | C61 | C62 | 136.6° | 142.7° |
H95 | C59 | C61 | H96 | 104.0° | 98.7° |
H95 | C59 | C61 | H97 | 17.3° | 23.9° |
H95 | C59 | N17 | C51 | 67.8° | 36.5° |
H95 | C59 | C60 | N18 | 158.9° | 64.2° |
O15 | C60 | N18 | C64 | 0.8° | 2.2° |
O15 | C60 | N18 | H102 | 179.2° | 177.4° |
C62 | C61 | H96 | H97 | 121.9° | 122.3° |
C61 | C62 | C63 | H98 | 119.4° | 118.9° |
C61 | C62 | C63 | H99 | 119.4° | 119.7° |
C61 | C62 | H98 | H99 | 121.9° | 121.7° |
C61 | C62 | C63 | H100 | 87.1° | 121.4° |
C61 | C62 | C63 | H101 | 150.8° | 118.0° |
H96 | C61 | C62 | C63 | 151.4° | 131.6° |
H96 | C61 | C62 | H98 | 32.0° | 12.8° |
H96 | C61 | C62 | H99 | 89.3° | 108.7° |
H97 | C61 | C62 | C63 | 87.3° | 106.1° |
H97 | C61 | C62 | H98 | 153.3° | 135.1° |
H97 | C61 | C62 | H99 | 32.0° | 13.6° |
C63 | C62 | H98 | H99 | 121.8° | 121.5° |
C62 | C63 | H100 | H101 | 123.0° | 120.1° |
C62 | C63 | N17 | C51 | 155.6° | 164.5° |
H98 | C62 | C63 | H100 | 153.5° | 119.7° |
H98 | C62 | C63 | H101 | 31.4° | 0.9° |
H99 | C62 | C63 | H100 | 32.3° | 1.7° |
H99 | C62 | C63 | H101 | 89.8° | 122.3° |
H100 | C63 | N17 | C51 | 85.5° | 44.5° |
H101 | C63 | N17 | C51 | 36.6° | 76.7° |
C64 | N18 | H102 | C60 | 180.0° | 179.6° |
N18 | C64 | C65 | C66 | 123.7° | 123.2° |
N18 | C64 | C65 | H103 | 118.9° | 118.9° |
N18 | C64 | C66 | H103 | 119.1° | 117.8° |
N18 | C64 | C65 | O16 | 145.3° | 92.4° |
N18 | C64 | C66 | C67 | 67.6° | 65.0° |
N18 | C64 | C66 | H104 | 171.8° | 55.0° |
N18 | C64 | C66 | H105 | 52.9° | 175.0° |
N18 | C64 | C65 | N1 | 27.1° | 86.9° |
H102 | N18 | C64 | C65 | 112.6° | 132.3° |
H102 | N18 | C64 | C66 | 10.4° | 104.3° |
H102 | N18 | C64 | H103 | 128.9° | 13.4° |
C65 | C64 | C66 | H103 | 117.5° | 117.9° |
C64 | C65 | O16 | N1 | 149.0° | 179.3° |
C65 | C64 | C66 | C67 | 55.8° | 170.7° |
C65 | C64 | C66 | H104 | 64.7° | 69.2° |
C65 | C64 | C66 | H105 | 176.3° | 50.7° |
C65 | C64 | N18 | C60 | 67.4° | 47.3° |
C66 | C64 | C65 | O16 | 91.1° | 144.4° |
C64 | C66 | C67 | H104 | 120.5° | 120.0° |
C64 | C66 | C67 | H105 | 120.5° | 120.0° |
C64 | C66 | H104 | H105 | 118.4° | 119.9° |
C64 | C66 | C67 | O17 | 13.7° | 0.0° |
C64 | C66 | C67 | O18 | 166.9° | 180.0° |
C66 | C64 | C65 | N1 | 150.8° | 36.3° |
C66 | C64 | N18 | C60 | 169.6° | 76.1° |
H103 | C64 | C65 | O16 | 26.3° | 26.5° |
H103 | C64 | C66 | C67 | 173.3° | 52.8° |
H103 | C64 | C66 | H104 | 52.8° | 172.8° |
H103 | C64 | C66 | H105 | 66.2° | 67.2° |
H103 | C64 | C65 | N1 | 91.8° | 154.3° |
H103 | C64 | N18 | C60 | 51.1° | 166.2° |
C67 | C66 | H104 | H105 | 118.4° | 120.0° |
C66 | C67 | O17 | O18 | 179.5° | 179.9° |
C66 | C67 | O18 | H106 | 179.5° | 180.0° |
H104 | C66 | C67 | O17 | 106.9° | 120.1° |
H104 | C66 | C67 | O18 | 72.6° | 60.0° |
H105 | C66 | C67 | O17 | 134.2° | 119.9° |
H105 | C66 | C67 | O18 | 46.3° | 60.0° |
O17 | C67 | O18 | H106 | 0.0° | 0.1° |