PRD_001224
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 | 1.25Å | |
C7 | O2 | doub | 1.21Å | 1.24Å | |
C7 | C3 | sing | 1.51Å | 1.43Å | |
C3 | N2 | sing | 1.47Å | 1.46Å | |
C3 | C4 | sing | 1.53Å | 1.47Å | |
C4 | C5 | sing | 1.53Å | 1.49Å | |
C5 | S2 | sing | 1.81Å | 1.70Å | |
C5 | C6 | sing | 1.53Å | 1.55Å | |
C6 | S1 | sing | 1.81Å | 1.70Å | |
N2 | H5 | sing | 0.97Å | 1.00Å | |
C3 | H6 | sing | 1.09Å | 1.10Å | |
C4 | H7 | sing | 1.09Å | 1.10Å | |
C4 | H8 | sing | 1.09Å | 1.10Å | |
C5 | H9 | sing | 1.09Å | 1.10Å | |
C6 | H10 | sing | 1.09Å | 1.10Å | |
C6 | H11 | sing | 1.09Å | 1.10Å | |
N3 | C8 | sing | 1.46Å | 1.47Å | |
N3 | H12 | sing | 0.97Å | 1.00Å | |
C8 | C9 | sing | 1.51Å | 1.53Å | |
C8 | C10 | sing | 1.53Å | 1.53Å | |
C8 | H13 | sing | 1.09Å | 1.10Å | |
C9 | O3 | doub | 1.21Å | 1.22Å | |
C10 | H14 | sing | 1.09Å | 1.10Å | |
C10 | H15 | sing | 1.09Å | 1.10Å | |
C10 | H16 | sing | 1.09Å | 1.10Å | |
N4 | C11 | sing | 1.47Å | 1.46Å | |
N4 | H17 | sing | 0.97Å | 1.00Å | |
C11 | C12 | sing | 1.51Å | 1.53Å | |
C11 | C13 | sing | 1.53Å | 1.53Å | |
C11 | H18 | sing | 1.09Å | 1.10Å | |
C12 | O4 | doub | 1.22Å | 1.22Å | |
C13 | C14 | sing | 1.53Å | 1.54Å | |
C13 | H19 | sing | 1.09Å | 1.10Å | |
C13 | H20 | sing | 1.09Å | 1.10Å | |
C14 | C15 | sing | 1.53Å | 1.52Å | |
C14 | C16 | sing | 1.53Å | 1.52Å | |
C14 | H21 | sing | 1.09Å | 1.10Å | |
C15 | H22 | sing | 1.09Å | 1.10Å | |
C15 | H23 | sing | 1.09Å | 1.10Å | |
C15 | H24 | sing | 1.09Å | 1.10Å | |
C16 | H25 | sing | 1.09Å | 1.10Å | |
C16 | H26 | sing | 1.09Å | 1.10Å | |
C16 | H27 | sing | 1.09Å | 1.10Å | |
N5 | C17 | sing | 1.47Å | 1.46Å | |
N5 | H28 | sing | 0.97Å | 1.00Å | |
C17 | C18 | sing | 1.51Å | 1.51Å | |
C17 | H29 | sing | 1.09Å | 1.10Å | |
C17 | H30 | sing | 1.09Å | 1.10Å | |
C18 | O5 | doub | 1.21Å | 1.24Å | |
N6 | C19 | sing | 1.46Å | 1.45Å | |
N6 | H31 | sing | 0.97Å | 1.00Å | |
C19 | C20 | sing | 1.49Å | 1.53Å | |
C19 | C21 | sing | 1.52Å | 1.52Å | |
C19 | H32 | sing | 1.11Å | 1.10Å | |
C20 | O6 | doub | 1.24Å | 1.24Å | |
C21 | C22 | sing | 1.53Å | 1.53Å | |
C21 | H33 | sing | 1.09Å | 1.10Å | |
C21 | H34 | sing | 1.09Å | 1.10Å | |
C22 | C23 | sing | 1.53Å | 1.52Å | |
C22 | H35 | sing | 1.09Å | 1.10Å | |
C22 | H36 | sing | 1.09Å | 1.10Å | |
C23 | N7 | sing | 1.46Å | 1.46Å | |
C23 | H37 | sing | 1.09Å | 1.10Å | |
C23 | H38 | sing | 1.09Å | 1.10Å | |
N7 | C24 | sing | 1.37Å | 1.33Å | |
N7 | H39 | sing | 0.97Å | 1.00Å | |
C24 | N8 | sing | 1.33Å | 1.33Å | |
C24 | N9 | doub | 1.33Å | 1.33Å | |
N8 | H40 | sing | 0.97Å | 1.00Å | |
N8 | H41 | sing | 0.97Å | 1.00Å | |
N9 | H42 | sing | 0.97Å | 1.00Å | |
N9 | H43 | sing | 0.97Å | 1.00Å | |
N10 | C25 | sing | 1.46Å | 1.45Å | |
N10 | H44 | sing | 0.99Å | 1.00Å | |
C25 | C26 | sing | 1.50Å | 1.51Å | |
C25 | H45 | sing | 1.09Å | 1.10Å | |
C25 | H46 | sing | 1.09Å | 1.10Å | |
C26 | O7 | doub | 1.21Å | 1.23Å | |
N11 | C27 | sing | 1.47Å | 1.46Å | |
N11 | H47 | sing | 0.97Å | 1.00Å | |
C27 | C28 | sing | 1.50Å | 1.54Å | |
C27 | C29 | sing | 1.53Å | 1.54Å | |
C27 | H48 | sing | 1.10Å | 1.10Å | |
C28 | O8 | doub | 1.21Å | 1.23Å | |
C29 | S3 | sing | 1.81Å | 1.81Å | |
C29 | H49 | sing | 1.09Å | 1.10Å | |
C29 | H50 | sing | 1.09Å | 1.10Å | |
N12 | C30 | sing | 1.47Å | 1.46Å | |
N12 | H51 | sing | 0.97Å | 1.00Å | |
C30 | C31 | sing | 1.51Å | 1.53Å | |
C30 | C32 | sing | 1.53Å | 1.54Å | |
C30 | H52 | sing | 1.09Å | 1.10Å | |
C31 | O9 | doub | 1.21Å | 1.24Å | |
C32 | C33 | sing | 1.53Å | 1.53Å | |
C32 | H53 | sing | 1.09Å | 1.10Å | |
C32 | H54 | sing | 1.09Å | 1.10Å | |
C33 | C34 | sing | 1.51Å | 1.51Å | |
C33 | H55 | sing | 1.09Å | 1.10Å | |
C33 | H56 | sing | 1.09Å | 1.10Å | |
C34 | O10 | doub | 1.21Å | 1.26Å | |
C34 | O11 | sing | 1.34Å | 1.25Å | |
O11 | H57 | sing | 0.97Å | 0.95Å | |
N13 | C35 | sing | 1.48Å | 1.46Å | |
N13 | H58 | sing | 0.97Å | 1.00Å | |
C35 | C36 | sing | 1.51Å | 1.54Å | |
C35 | C37 | sing | 1.53Å | 1.54Å | |
C35 | H59 | sing | 1.09Å | 1.10Å | |
C36 | O12 | doub | 1.21Å | 1.23Å | |
C37 | C38 | sing | 1.51Å | 1.52Å | |
C37 | H60 | sing | 1.09Å | 1.10Å | |
C37 | H61 | sing | 1.09Å | 1.10Å | |
C38 | O13 | doub | 1.21Å | 1.23Å | |
C38 | N14 | sing | 1.35Å | 1.33Å | |
N14 | H62 | sing | 0.97Å | 1.00Å | |
N14 | H63 | sing | 0.97Å | 1.00Å | |
N15 | C39 | sing | 1.45Å | 1.47Å | |
N15 | H64 | sing | 0.99Å | 1.00Å | |
C39 | C40 | sing | 1.50Å | 1.52Å | |
C39 | C41 | sing | 1.52Å | 1.53Å | |
C39 | H65 | sing | 1.11Å | 1.10Å | |
C40 | O14 | doub | 1.23Å | 1.24Å | |
C41 | C42 | sing | 1.51Å | 1.49Å | |
C41 | H66 | sing | 1.09Å | 1.10Å | |
C41 | H67 | sing | 1.09Å | 1.10Å | |
C42 | N16 | sing | 1.34Å | 1.38Å | Aromatic |
C42 | C43 | doub | 1.35Å | 1.36Å | Aromatic |
N16 | C44 | doub | 1.30Å | 1.32Å | Aromatic |
N16 | H68 | sing | 0.97Å | 1.00Å | |
C43 | N17 | sing | 1.37Å | 1.38Å | Aromatic |
C43 | H69 | sing | 1.08Å | 1.08Å | |
C44 | N17 | sing | 1.35Å | 1.32Å | Aromatic |
C44 | H70 | sing | 1.08Å | 1.08Å | |
N17 | H71 | sing | 0.97Å | 1.00Å | |
N18 | C45 | sing | 1.46Å | 1.45Å | |
N18 | H72 | sing | 0.99Å | 1.00Å | |
C45 | C46 | sing | 1.51Å | 1.52Å | |
C45 | C47 | sing | 1.54Å | 1.53Å | |
C45 | H73 | sing | 1.08Å | 1.10Å | |
C46 | O15 | doub | 1.21Å | 1.22Å | |
C47 | C48 | sing | 1.53Å | 1.52Å | |
C47 | H74 | sing | 1.09Å | 1.10Å | |
C47 | H75 | sing | 1.09Å | 1.10Å | |
C48 | C49 | sing | 1.53Å | 1.52Å | |
C48 | H76 | sing | 1.09Å | 1.10Å | |
C48 | H77 | sing | 1.09Å | 1.10Å | |
C49 | N19 | sing | 1.46Å | 1.46Å | |
C49 | H78 | sing | 1.09Å | 1.10Å | |
C49 | H79 | sing | 1.09Å | 1.10Å | |
N19 | C50 | sing | 1.37Å | 1.33Å | |
N19 | H80 | sing | 0.97Å | 1.00Å | |
C50 | N20 | sing | 1.33Å | 1.33Å | |
C50 | N21 | doub | 1.33Å | 1.32Å | |
N20 | H81 | sing | 0.97Å | 1.00Å | |
N20 | H82 | sing | 0.97Å | 1.00Å | |
N21 | H83 | sing | 0.97Å | 1.00Å | |
N21 | H84 | sing | 0.97Å | 1.00Å | |
N22 | C51 | sing | 1.46Å | 1.47Å | |
N22 | H85 | sing | 0.97Å | 1.00Å | |
C51 | C52 | sing | 1.51Å | 1.51Å | |
C51 | C53 | sing | 1.53Å | 1.53Å | |
C51 | H86 | sing | 1.09Å | 1.10Å | |
C52 | O16 | doub | 1.21Å | 1.23Å | |
C53 | S4 | sing | 1.82Å | 1.80Å | |
C53 | H87 | sing | 1.09Å | 1.10Å | |
C53 | H88 | sing | 1.09Å | 1.10Å | |
N23 | C54 | sing | 1.46Å | 1.46Å | |
N23 | H89 | sing | 0.97Å | 1.00Å | |
C54 | C55 | sing | 1.51Å | 1.53Å | |
C54 | C56 | sing | 1.53Å | 1.54Å | |
C54 | H90 | sing | 1.09Å | 1.10Å | |
C55 | O17 | doub | 1.21Å | 1.22Å | |
C56 | C57 | sing | 1.53Å | 1.54Å | |
C56 | H91 | sing | 1.09Å | 1.10Å | |
C56 | H92 | sing | 1.09Å | 1.10Å | |
C57 | C58 | sing | 1.53Å | 1.53Å | |
C57 | C59 | sing | 1.53Å | 1.52Å | |
C57 | H93 | sing | 1.09Å | 1.10Å | |
C58 | H94 | sing | 1.09Å | 1.10Å | |
C58 | H95 | sing | 1.09Å | 1.10Å | |
C58 | H96 | sing | 1.09Å | 1.10Å | |
C59 | H97 | sing | 1.09Å | 1.10Å | |
C59 | H98 | sing | 1.09Å | 1.10Å | |
C59 | H99 | sing | 1.09Å | 1.10Å | |
N24 | H100 | sing | 0.97Å | 1.00Å | |
N24 | H101 | sing | 0.97Å | 1.00Å | |
C2 | N2 | sing | 1.35Å | 1.33Å | |
S1 | S3 | sing | 2.05Å | 2.06Å | |
S2 | S4 | sing | 2.05Å | 2.03Å | |
C7 | N3 | sing | 1.34Å | 1.33Å | |
C9 | N4 | sing | 1.35Å | 1.33Å | |
C12 | N5 | sing | 1.35Å | 1.33Å | |
C18 | N6 | sing | 1.35Å | 1.32Å | |
C20 | N10 | sing | 1.34Å | 1.33Å | |
C26 | N11 | sing | 1.35Å | 1.34Å | |
C28 | N12 | sing | 1.34Å | 1.33Å | |
C31 | N13 | sing | 1.37Å | 1.33Å | |
C36 | N15 | sing | 1.34Å | 1.34Å | |
C40 | N18 | sing | 1.33Å | 1.32Å | |
C46 | N22 | sing | 1.34Å | 1.32Å | |
C52 | N23 | sing | 1.35Å | 1.33Å | |
C55 | N24 | sing | 1.35Å | 1.36Å |
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 | 112.5° | 109.4° |
N1 | C1 | H3 | 108.7° | 109.5° |
N1 | C1 | H4 | 108.7° | 109.5° |
H1 | N1 | H2 | 109.4° | 110.9° |
C2 | C1 | H3 | 108.7° | 109.5° |
C2 | C1 | H4 | 108.7° | 109.5° |
C1 | C2 | O1 | 121.3° | 120.0° |
C1 | C2 | N2 | 115.3° | 119.9° |
H3 | C1 | H4 | 109.5° | 109.5° |
O1 | C2 | N2 | 123.4° | 120.0° |
O2 | C7 | C3 | 120.7° | 119.8° |
O2 | C7 | N3 | 122.6° | 120.3° |
C7 | C3 | N2 | 104.0° | 109.2° |
C7 | C3 | C4 | 108.1° | 109.6° |
C7 | C3 | H6 | 111.7° | 109.3° |
C3 | C7 | N3 | 116.7° | 120.0° |
N2 | C3 | C4 | 110.6° | 109.7° |
C3 | N2 | H5 | 119.3° | 120.0° |
N2 | C3 | H6 | 111.2° | 109.5° |
C3 | N2 | C2 | 121.4° | 120.0° |
C3 | C4 | C5 | 117.3° | 109.6° |
C4 | C3 | H6 | 111.0° | 109.6° |
C3 | C4 | H7 | 107.5° | 109.7° |
C3 | C4 | H8 | 107.5° | 109.1° |
C4 | C5 | S2 | 111.0° | 109.9° |
C4 | C5 | C6 | 109.2° | 109.1° |
C5 | C4 | H7 | 107.5° | 109.8° |
C5 | C4 | H8 | 107.5° | 109.3° |
C4 | C5 | H9 | 108.8° | 109.4° |
S2 | C5 | C6 | 113.4° | 109.7° |
S2 | C5 | H9 | 106.3° | 109.3° |
C5 | S2 | S4 | 101.1° | 103.3° |
C5 | C6 | S1 | 116.8° | 110.2° |
C6 | C5 | H9 | 108.0° | 109.3° |
C5 | C6 | H10 | 107.6° | 109.3° |
C5 | C6 | H11 | 107.6° | 109.2° |
S1 | C6 | H10 | 107.6° | 109.3° |
S1 | C6 | H11 | 107.6° | 109.6° |
C6 | S1 | S3 | 111.7° | 103.1° |
H5 | N2 | C2 | 119.3° | 120.1° |
H7 | C4 | H8 | 109.4° | 109.4° |
H10 | C6 | H11 | 109.5° | 109.2° |
C8 | N3 | H12 | 119.0° | 119.4° |
N3 | C8 | C9 | 110.5° | 109.1° |
N3 | C8 | C10 | 110.3° | 109.5° |
N3 | C8 | H13 | 109.0° | 109.8° |
C8 | N3 | C7 | 121.9° | 120.8° |
H12 | N3 | C7 | 119.0° | 119.8° |
C9 | C8 | C10 | 110.6° | 109.5° |
C9 | C8 | H13 | 108.2° | 109.3° |
C8 | C9 | O3 | 120.5° | 119.8° |
C8 | C9 | N4 | 116.7° | 119.3° |
C10 | C8 | H13 | 108.2° | 109.7° |
C8 | C10 | H14 | 109.5° | 109.5° |
C8 | C10 | H15 | 109.4° | 109.5° |
C8 | C10 | H16 | 109.5° | 109.5° |
O3 | C9 | N4 | 122.8° | 120.9° |
H14 | C10 | H15 | 109.5° | 109.4° |
H14 | C10 | H16 | 109.5° | 109.5° |
H15 | C10 | H16 | 109.5° | 109.5° |
C11 | N4 | H17 | 119.0° | 119.7° |
N4 | C11 | C12 | 114.6° | 109.3° |
N4 | C11 | C13 | 109.4° | 109.1° |
N4 | C11 | H18 | 107.6° | 109.6° |
C11 | N4 | C9 | 122.0° | 121.3° |
H17 | N4 | C9 | 119.0° | 119.0° |
C12 | C11 | C13 | 111.4° | 109.8° |
C12 | C11 | H18 | 106.8° | 109.5° |
C11 | C12 | O4 | 119.9° | 119.3° |
C11 | C12 | N5 | 117.9° | 121.7° |
C13 | C11 | H18 | 106.7° | 109.6° |
C11 | C13 | C14 | 112.1° | 109.5° |
C11 | C13 | H19 | 108.8° | 109.5° |
C11 | C13 | H20 | 108.8° | 109.4° |
O4 | C12 | N5 | 122.2° | 119.1° |
C14 | C13 | H19 | 108.8° | 109.5° |
C14 | C13 | H20 | 108.8° | 109.4° |
C13 | C14 | C15 | 112.0° | 109.5° |
C13 | C14 | C16 | 111.2° | 109.5° |
C13 | C14 | H21 | 107.6° | 109.4° |
H19 | C13 | H20 | 109.5° | 109.5° |
C15 | C14 | C16 | 110.3° | 109.5° |
C15 | C14 | H21 | 107.8° | 109.5° |
C14 | C15 | H22 | 109.5° | 109.5° |
C14 | C15 | H23 | 109.5° | 109.5° |
C14 | C15 | H24 | 109.4° | 109.5° |
C16 | C14 | H21 | 107.8° | 109.5° |
C14 | C16 | H25 | 109.5° | 109.4° |
C14 | C16 | H26 | 109.5° | 109.5° |
C14 | C16 | H27 | 109.4° | 109.5° |
H22 | C15 | H23 | 109.5° | 109.4° |
H22 | C15 | H24 | 109.5° | 109.5° |
H23 | C15 | H24 | 109.5° | 109.5° |
H25 | C16 | H26 | 109.5° | 109.4° |
H25 | C16 | H27 | 109.5° | 109.5° |
H26 | C16 | H27 | 109.5° | 109.5° |
C17 | N5 | H28 | 119.4° | 119.7° |
N5 | C17 | C18 | 111.9° | 110.6° |
N5 | C17 | H29 | 108.9° | 109.2° |
N5 | C17 | H30 | 108.9° | 109.2° |
C17 | N5 | C12 | 121.1° | 118.9° |
H28 | N5 | C12 | 119.4° | 121.4° |
C18 | C17 | H29 | 108.9° | 109.0° |
C18 | C17 | H30 | 108.8° | 109.7° |
C17 | C18 | O5 | 121.6° | 119.6° |
C17 | C18 | N6 | 114.0° | 120.3° |
H29 | C17 | H30 | 109.5° | 109.2° |
O5 | C18 | N6 | 124.4° | 120.1° |
C19 | N6 | H31 | 118.4° | 121.2° |
N6 | C19 | C20 | 109.4° | 111.7° |
N6 | C19 | C21 | 109.3° | 110.5° |
N6 | C19 | H32 | 109.9° | 106.3° |
C19 | N6 | C18 | 123.2° | 119.1° |
H31 | N6 | C18 | 118.4° | 119.7° |
C20 | C19 | C21 | 110.6° | 114.0° |
C20 | C19 | H32 | 108.8° | 106.9° |
C19 | C20 | O6 | 121.2° | 116.2° |
C19 | C20 | N10 | 115.5° | 128.3° |
C21 | C19 | H32 | 108.9° | 107.0° |
C19 | C21 | C22 | 114.2° | 109.5° |
C19 | C21 | H33 | 108.3° | 109.4° |
C19 | C21 | H34 | 108.3° | 109.4° |
O6 | C20 | N10 | 123.2° | 115.5° |
C22 | C21 | H33 | 108.3° | 109.5° |
C22 | C21 | H34 | 108.3° | 109.5° |
C21 | C22 | C23 | 110.6° | 109.5° |
C21 | C22 | H35 | 109.2° | 109.5° |
C21 | C22 | H36 | 109.2° | 109.5° |
H33 | C21 | H34 | 109.5° | 109.4° |
C23 | C22 | H35 | 109.2° | 109.5° |
C23 | C22 | H36 | 109.2° | 109.5° |
C22 | C23 | N7 | 111.7° | 109.5° |
C22 | C23 | H37 | 108.9° | 109.5° |
C22 | C23 | H38 | 108.9° | 109.5° |
H35 | C22 | H36 | 109.5° | 109.5° |
N7 | C23 | H37 | 108.9° | 109.4° |
N7 | C23 | H38 | 108.9° | 109.4° |
C23 | N7 | C24 | 124.4° | 120.0° |
C23 | N7 | H39 | 117.8° | 120.0° |
H37 | C23 | H38 | 109.5° | 109.5° |
C24 | N7 | H39 | 117.8° | 120.0° |
N7 | C24 | N8 | 120.3° | 120.0° |
N7 | C24 | N9 | 119.4° | 120.0° |
N8 | C24 | N9 | 120.3° | 120.0° |
C24 | N8 | H40 | 120.0° | 120.0° |
C24 | N8 | H41 | 120.0° | 120.0° |
C24 | N9 | H42 | 120.0° | 120.0° |
C24 | N9 | H43 | 120.0° | 119.9° |
H40 | N8 | H41 | 120.0° | 120.0° |
H42 | N9 | H43 | 120.0° | 120.0° |
C25 | N10 | H44 | 118.7° | 117.1° |
N10 | C25 | C26 | 111.2° | 111.7° |
N10 | C25 | H45 | 109.0° | 109.6° |
N10 | C25 | H46 | 109.0° | 110.1° |
C25 | N10 | C20 | 122.6° | 125.9° |
H44 | N10 | C20 | 118.7° | 117.0° |
C26 | C25 | H45 | 109.0° | 107.0° |
C26 | C25 | H46 | 109.1° | 108.5° |
C25 | C26 | O7 | 120.4° | 118.0° |
C25 | C26 | N11 | 116.0° | 123.1° |
H45 | C25 | H46 | 109.5° | 110.0° |
O7 | C26 | N11 | 123.6° | 118.9° |
C27 | N11 | H47 | 118.3° | 120.7° |
N11 | C27 | C28 | 115.3° | 111.3° |
N11 | C27 | C29 | 109.5° | 109.8° |
N11 | C27 | H48 | 108.1° | 107.9° |
C27 | N11 | C26 | 123.3° | 118.6° |
H47 | N11 | C26 | 118.4° | 120.7° |
C28 | C27 | C29 | 109.2° | 111.1° |
C28 | C27 | H48 | 107.2° | 108.6° |
C27 | C28 | O8 | 119.5° | 117.9° |
C27 | C28 | N12 | 118.0° | 123.1° |
C29 | C27 | H48 | 107.2° | 107.9° |
C27 | C29 | S3 | 113.3° | 109.0° |
C27 | C29 | H49 | 108.5° | 109.7° |
C27 | C29 | H50 | 108.5° | 109.5° |
O8 | C28 | N12 | 122.5° | 119.0° |
S3 | C29 | H49 | 108.5° | 109.8° |
S3 | C29 | H50 | 108.5° | 109.4° |
C29 | S3 | S1 | 108.6° | 103.4° |
H49 | C29 | H50 | 109.5° | 109.4° |
C30 | N12 | H51 | 119.0° | 120.3° |
N12 | C30 | C31 | 110.4° | 110.0° |
N12 | C30 | C32 | 111.3° | 108.8° |
N12 | C30 | H52 | 109.5° | 110.0° |
C30 | N12 | C28 | 122.0° | 119.8° |
H51 | N12 | C28 | 119.0° | 120.0° |
C31 | C30 | C32 | 108.3° | 109.6° |
C31 | C30 | H52 | 108.7° | 109.2° |
C30 | C31 | O9 | 120.2° | 120.2° |
C30 | C31 | N13 | 116.6° | 119.2° |
C32 | C30 | H52 | 108.6° | 109.3° |
C30 | C32 | C33 | 114.8° | 109.5° |
C30 | C32 | H53 | 108.1° | 109.4° |
C30 | C32 | H54 | 108.1° | 109.5° |
O9 | C31 | N13 | 123.2° | 120.6° |
C33 | C32 | H53 | 108.2° | 109.5° |
C33 | C32 | H54 | 108.1° | 109.5° |
C32 | C33 | C34 | 112.9° | 109.5° |
C32 | C33 | H55 | 108.6° | 109.5° |
C32 | C33 | H56 | 108.6° | 109.5° |
H53 | C32 | H54 | 109.5° | 109.5° |
C34 | C33 | H55 | 108.6° | 109.5° |
C34 | C33 | H56 | 108.6° | 109.4° |
C33 | C34 | O10 | 119.2° | 120.0° |
C33 | C34 | O11 | 118.0° | 120.0° |
H55 | C33 | H56 | 109.5° | 109.4° |
O10 | C34 | O11 | 122.8° | 120.0° |
C34 | O11 | H57 | 109.5° | 117.0° |
C35 | N13 | H58 | 119.4° | 121.2° |
N13 | C35 | C36 | 112.2° | 108.9° |
N13 | C35 | C37 | 108.2° | 109.3° |
N13 | C35 | H59 | 109.2° | 110.2° |
C35 | N13 | C31 | 121.3° | 115.4° |
H58 | N13 | C31 | 119.3° | 123.5° |
C36 | C35 | C37 | 110.9° | 109.0° |
C36 | C35 | H59 | 108.1° | 109.8° |
C35 | C36 | O12 | 120.3° | 117.9° |
C35 | C36 | N15 | 117.2° | 119.5° |
C37 | C35 | H59 | 108.2° | 109.6° |
C35 | C37 | C38 | 113.2° | 109.5° |
C35 | C37 | H60 | 108.5° | 109.5° |
C35 | C37 | H61 | 108.5° | 109.5° |
O12 | C36 | N15 | 122.5° | 122.6° |
C38 | C37 | H60 | 108.5° | 109.5° |
C38 | C37 | H61 | 108.5° | 109.5° |
C37 | C38 | O13 | 121.3° | 120.0° |
C37 | C38 | N14 | 116.3° | 120.0° |
H60 | C37 | H61 | 109.5° | 109.4° |
O13 | C38 | N14 | 122.5° | 120.0° |
C38 | N14 | H62 | 120.0° | 120.0° |
C38 | N14 | H63 | 120.0° | 119.9° |
H62 | N14 | H63 | 120.1° | 120.0° |
C39 | N15 | H64 | 119.1° | 117.6° |
N15 | C39 | C40 | 111.3° | 110.7° |
N15 | C39 | C41 | 112.0° | 113.7° |
N15 | C39 | H65 | 108.6° | 107.3° |
C39 | N15 | C36 | 121.7° | 125.8° |
H64 | N15 | C36 | 119.1° | 116.5° |
C40 | C39 | C41 | 108.9° | 110.6° |
C40 | C39 | H65 | 108.0° | 106.7° |
C39 | C40 | O14 | 121.7° | 117.3° |
C39 | C40 | N18 | 115.2° | 125.7° |
C41 | C39 | H65 | 107.9° | 107.5° |
C39 | C41 | C42 | 114.1° | 109.5° |
C39 | C41 | H66 | 108.3° | 109.5° |
C39 | C41 | H67 | 108.3° | 109.4° |
O14 | C40 | N18 | 123.1° | 117.0° |
C42 | C41 | H66 | 108.3° | 109.5° |
C42 | C41 | H67 | 108.3° | 109.5° |
C41 | C42 | N16 | 122.5° | 126.0° |
C41 | C42 | C43 | 131.3° | 126.0° |
H66 | C41 | H67 | 109.4° | 109.5° |
N16 | C42 | C43 | 106.2° | 108.0° |
C42 | N16 | C44 | 109.2° | 109.3° |
C42 | N16 | H68 | 125.4° | 125.3° |
C42 | C43 | N17 | 107.1° | 106.8° |
C42 | C43 | H69 | 126.4° | 126.6° |
C44 | N16 | H68 | 125.4° | 125.4° |
N16 | C44 | N17 | 108.5° | 108.7° |
N16 | C44 | H70 | 125.8° | 125.7° |
N17 | C43 | H69 | 126.4° | 126.6° |
C43 | N17 | C44 | 108.9° | 107.2° |
C43 | N17 | H71 | 125.5° | 126.4° |
N17 | C44 | H70 | 125.8° | 125.6° |
C44 | N17 | H71 | 125.5° | 126.4° |
C45 | N18 | H72 | 119.0° | 116.6° |
N18 | C45 | C46 | 107.1° | 109.0° |
N18 | C45 | C47 | 109.8° | 109.1° |
N18 | C45 | H73 | 110.3° | 112.2° |
C45 | N18 | C40 | 121.9° | 126.6° |
H72 | N18 | C40 | 119.0° | 116.8° |
C46 | C45 | C47 | 111.1° | 108.4° |
C46 | C45 | H73 | 109.4° | 108.9° |
C45 | C46 | O15 | 120.2° | 119.2° |
C45 | C46 | N22 | 117.5° | 120.4° |
C47 | C45 | H73 | 109.2° | 109.2° |
C45 | C47 | C48 | 115.6° | 109.4° |
C45 | C47 | H74 | 107.9° | 109.5° |
C45 | C47 | H75 | 107.9° | 109.4° |
O15 | C46 | N22 | 122.3° | 120.5° |
C48 | C47 | H74 | 107.9° | 109.5° |
C48 | C47 | H75 | 107.9° | 109.5° |
C47 | C48 | C49 | 110.5° | 109.4° |
C47 | C48 | H76 | 109.2° | 109.5° |
C47 | C48 | H77 | 109.2° | 109.5° |
H74 | C47 | H75 | 109.5° | 109.5° |
C49 | C48 | H76 | 109.2° | 109.5° |
C49 | C48 | H77 | 109.2° | 109.4° |
C48 | C49 | N19 | 109.1° | 109.5° |
C48 | C49 | H78 | 109.6° | 109.5° |
C48 | C49 | H79 | 109.6° | 109.4° |
H76 | C48 | H77 | 109.5° | 109.5° |
N19 | C49 | H78 | 109.6° | 109.5° |
N19 | C49 | H79 | 109.6° | 109.5° |
C49 | N19 | C50 | 126.1° | 120.0° |
C49 | N19 | H80 | 116.9° | 120.0° |
H78 | C49 | H79 | 109.5° | 109.4° |
C50 | N19 | H80 | 117.0° | 120.0° |
N19 | C50 | N20 | 122.2° | 120.0° |
N19 | C50 | N21 | 118.5° | 120.0° |
N20 | C50 | N21 | 119.2° | 120.0° |
C50 | N20 | H81 | 120.0° | 120.0° |
C50 | N20 | H82 | 120.0° | 120.0° |
C50 | N21 | H83 | 120.0° | 120.0° |
C50 | N21 | H84 | 120.0° | 120.0° |
H81 | N20 | H82 | 120.0° | 120.0° |
H83 | N21 | H84 | 120.0° | 120.0° |
C51 | N22 | H85 | 119.6° | 119.5° |
N22 | C51 | C52 | 109.8° | 109.2° |
N22 | C51 | C53 | 111.1° | 109.4° |
N22 | C51 | H86 | 109.2° | 110.0° |
C51 | N22 | C46 | 120.7° | 120.7° |
H85 | N22 | C46 | 119.7° | 119.8° |
C52 | C51 | C53 | 109.7° | 108.9° |
C52 | C51 | H86 | 108.6° | 109.5° |
C51 | C52 | O16 | 120.0° | 120.0° |
C51 | C52 | N23 | 116.8° | 120.0° |
C53 | C51 | H86 | 108.4° | 109.8° |
C51 | C53 | S4 | 113.8° | 108.7° |
C51 | C53 | H87 | 108.4° | 109.4° |
C51 | C53 | H88 | 108.4° | 109.6° |
O16 | C52 | N23 | 123.2° | 120.0° |
S4 | C53 | H87 | 108.4° | 109.6° |
S4 | C53 | H88 | 108.4° | 109.4° |
C53 | S4 | S2 | 107.8° | 103.2° |
H87 | C53 | H88 | 109.5° | 110.0° |
C54 | N23 | H89 | 119.7° | 120.0° |
N23 | C54 | C55 | 110.6° | 109.4° |
N23 | C54 | C56 | 112.1° | 109.5° |
N23 | C54 | H90 | 108.3° | 109.4° |
C54 | N23 | C52 | 120.6° | 120.0° |
H89 | N23 | C52 | 119.7° | 120.0° |
C55 | C54 | C56 | 110.6° | 109.5° |
C55 | C54 | H90 | 107.6° | 109.5° |
C54 | C55 | O17 | 120.2° | 120.0° |
C54 | C55 | N24 | 116.8° | 120.0° |
C56 | C54 | H90 | 107.4° | 109.5° |
C54 | C56 | C57 | 116.8° | 109.4° |
C54 | C56 | H91 | 107.6° | 109.4° |
C54 | C56 | H92 | 107.6° | 109.5° |
O17 | C55 | N24 | 123.0° | 120.0° |
C57 | C56 | H91 | 107.6° | 109.5° |
C57 | C56 | H92 | 107.6° | 109.5° |
C56 | C57 | C58 | 112.2° | 109.4° |
C56 | C57 | C59 | 110.9° | 109.5° |
C56 | C57 | H93 | 107.6° | 109.5° |
H91 | C56 | H92 | 109.5° | 109.5° |
C58 | C57 | C59 | 110.4° | 109.5° |
C58 | C57 | H93 | 107.7° | 109.5° |
C57 | C58 | H94 | 109.5° | 109.5° |
C57 | C58 | H95 | 109.4° | 109.5° |
C57 | C58 | H96 | 109.4° | 109.5° |
C59 | C57 | H93 | 107.8° | 109.5° |
C57 | C59 | H97 | 109.5° | 109.5° |
C57 | C59 | H98 | 109.5° | 109.5° |
C57 | C59 | H99 | 109.5° | 109.5° |
H94 | C58 | H95 | 109.5° | 109.5° |
H94 | C58 | H96 | 109.5° | 109.5° |
H95 | C58 | H96 | 109.5° | 109.4° |
H97 | C59 | H98 | 109.5° | 109.5° |
H97 | C59 | H99 | 109.5° | 109.5° |
H98 | C59 | H99 | 109.4° | 109.4° |
H100 | N24 | H101 | 120.0° | 120.0° |
H100 | N24 | C55 | 120.0° | 120.0° |
H101 | N24 | C55 | 120.0° | 120.0° |
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 | 120.4° | 120.0° |
N1 | C1 | H3 | H4 | 118.6° | 120.0° |
N1 | C1 | C2 | O1 | 8.4° | 0.0° |
N1 | C1 | C2 | N2 | 173.1° | 180.0° |
H1 | N1 | C1 | C2 | 180.0° | 56.1° |
H1 | N1 | C1 | H3 | 59.5° | 176.0° |
H1 | N1 | C1 | H4 | 59.6° | 63.9° |
H2 | N1 | C1 | C2 | 60.0° | 180.0° |
H2 | N1 | C1 | H3 | 60.5° | 60.1° |
H2 | N1 | C1 | H4 | 179.5° | 60.0° |
C2 | C1 | H3 | H4 | 118.6° | 120.0° |
C1 | C2 | O1 | N2 | 178.4° | 180.0° |
C1 | C2 | N2 | C3 | 177.5° | 180.0° |
C1 | C2 | N2 | H5 | 2.6° | 0.0° |
H3 | C1 | C2 | O1 | 112.1° | 120.0° |
H3 | C1 | C2 | N2 | 66.4° | 60.0° |
H4 | C1 | C2 | O1 | 128.8° | 120.0° |
H4 | C1 | C2 | N2 | 52.7° | 60.0° |
O1 | C2 | N2 | C3 | 1.0° | 0.0° |
O1 | C2 | N2 | H5 | 179.0° | 180.0° |
O2 | C7 | C3 | N3 | 179.7° | 179.7° |
O2 | C7 | C3 | N2 | 47.1° | 94.4° |
O2 | C7 | C3 | C4 | 70.4° | 25.8° |
O2 | C7 | C3 | H6 | 167.2° | 145.9° |
O2 | C7 | N3 | C8 | 4.3° | 2.9° |
O2 | C7 | N3 | H12 | 175.6° | 176.9° |
C7 | C3 | N2 | C4 | 115.8° | 120.1° |
C7 | C3 | N2 | H6 | 120.4° | 119.6° |
C7 | C3 | C4 | H6 | 122.9° | 119.9° |
C7 | C3 | C4 | C5 | 174.1° | 162.8° |
C7 | C3 | N2 | H5 | 42.8° | 95.1° |
C7 | C3 | C4 | H7 | 64.7° | 76.6° |
C7 | C3 | C4 | H8 | 53.0° | 43.2° |
C3 | C7 | N3 | C8 | 176.0° | 176.8° |
C3 | C7 | N3 | H12 | 4.1° | 3.4° |
C7 | C3 | N2 | C2 | 137.2° | 84.9° |
N2 | C3 | C4 | H6 | 124.0° | 120.2° |
N2 | C3 | C4 | C5 | 72.7° | 77.4° |
C3 | N2 | H5 | C2 | 180.0° | 179.9° |
N2 | C3 | C4 | H7 | 48.5° | 43.2° |
N2 | C3 | C4 | H8 | 166.2° | 163.0° |
N2 | C3 | C7 | N3 | 132.6° | 85.4° |
C3 | C4 | C5 | H7 | 121.1° | 120.5° |
C3 | C4 | C5 | H8 | 121.1° | 119.5° |
C3 | C4 | C5 | S2 | 74.9° | 163.9° |
C3 | C4 | C5 | C6 | 159.4° | 75.7° |
C4 | C3 | N2 | H5 | 73.0° | 25.0° |
C3 | C4 | H7 | H8 | 116.4° | 119.6° |
C3 | C4 | C5 | H9 | 41.8° | 43.9° |
C4 | C3 | N2 | C2 | 107.1° | 155.0° |
C4 | C3 | C7 | N3 | 109.9° | 154.5° |
C4 | C5 | S2 | C6 | 123.4° | 120.0° |
C4 | C5 | S2 | H9 | 118.2° | 120.1° |
C4 | C5 | C6 | H9 | 118.1° | 119.6° |
C4 | C5 | C6 | S1 | 54.5° | 125.3° |
C5 | C4 | C3 | H6 | 51.3° | 42.9° |
C5 | C4 | H7 | H8 | 116.5° | 120.0° |
C4 | C5 | C6 | H10 | 66.5° | 5.2° |
C4 | C5 | C6 | H11 | 175.6° | 114.2° |
C4 | C5 | S2 | S4 | 168.1° | 40.8° |
S2 | C5 | C6 | H9 | 117.5° | 119.9° |
S2 | C5 | C6 | S1 | 69.8° | 4.9° |
S2 | C5 | C4 | H7 | 46.2° | 43.4° |
S2 | C5 | C4 | H8 | 164.0° | 76.6° |
S2 | C5 | C6 | H10 | 169.1° | 115.3° |
S2 | C5 | C6 | H11 | 51.3° | 125.3° |
C5 | S2 | S4 | C53 | 101.8° | 153.1° |
C5 | C6 | S1 | H10 | 121.0° | 120.1° |
C5 | C6 | S1 | H11 | 121.1° | 120.2° |
C6 | C5 | C4 | H7 | 79.5° | 163.8° |
C6 | C5 | C4 | H8 | 38.2° | 43.8° |
C5 | C6 | H10 | H11 | 116.6° | 119.4° |
C5 | C6 | S1 | S3 | 87.4° | 145.6° |
C6 | C5 | S2 | S4 | 68.6° | 79.2° |
S1 | C6 | C5 | H9 | 172.7° | 115.0° |
S1 | C6 | H10 | H11 | 116.7° | 119.9° |
C6 | S1 | S3 | C29 | 108.0° | 171.0° |
H5 | N2 | C3 | H6 | 163.2° | 145.3° |
H6 | C3 | C4 | H7 | 172.4° | 163.4° |
H6 | C3 | C4 | H8 | 69.8° | 76.8° |
H6 | C3 | N2 | C2 | 16.8° | 34.7° |
H6 | C3 | C7 | N3 | 12.5° | 34.4° |
H7 | C4 | C5 | H9 | 162.9° | 76.6° |
H8 | C4 | C5 | H9 | 79.4° | 163.4° |
H9 | C5 | C6 | H10 | 51.6° | 124.8° |
H9 | C5 | C6 | H11 | 66.3° | 5.4° |
H9 | C5 | S2 | S4 | 49.9° | 160.9° |
H10 | C6 | S1 | S3 | 33.7° | 25.4° |
H11 | C6 | S1 | S3 | 151.5° | 94.2° |
C8 | N3 | H12 | C7 | 180.0° | 179.8° |
N3 | C8 | C9 | C10 | 122.4° | 119.8° |
N3 | C8 | C9 | H13 | 119.3° | 120.1° |
N3 | C8 | C10 | H13 | 119.2° | 120.6° |
N3 | C8 | C9 | O3 | 141.1° | 105.2° |
N3 | C8 | C10 | H14 | 180.0° | 60.0° |
N3 | C8 | C10 | H15 | 60.0° | 180.0° |
N3 | C8 | C10 | H16 | 60.0° | 60.0° |
N3 | C8 | C9 | N4 | 40.5° | 74.9° |
H12 | N3 | C8 | C9 | 66.6° | 44.5° |
H12 | N3 | C8 | C10 | 56.0° | 75.3° |
H12 | N3 | C8 | H13 | 174.6° | 164.2° |
C9 | C8 | C10 | H13 | 118.3° | 119.9° |
C8 | C9 | O3 | N4 | 178.3° | 179.9° |
C9 | C8 | C10 | H14 | 57.5° | 59.5° |
C9 | C8 | C10 | H15 | 177.5° | 60.4° |
C9 | C8 | C10 | H16 | 62.5° | 179.6° |
C8 | C9 | N4 | C11 | 168.7° | 177.3° |
C8 | C9 | N4 | H17 | 11.3° | 2.4° |
C9 | C8 | N3 | C7 | 113.4° | 135.3° |
C10 | C8 | C9 | O3 | 18.7° | 14.7° |
C8 | C10 | H14 | H15 | 120.0° | 120.0° |
C8 | C10 | H14 | H16 | 120.0° | 120.0° |
C8 | C10 | H15 | H16 | 120.0° | 120.0° |
C10 | C8 | N3 | C7 | 124.0° | 104.9° |
C10 | C8 | C9 | N4 | 162.9° | 165.3° |
H13 | C8 | C9 | O3 | 99.7° | 134.8° |
H13 | C8 | C10 | H14 | 60.8° | 179.4° |
H13 | C8 | C10 | H15 | 59.2° | 59.4° |
H13 | C8 | C10 | H16 | 179.1° | 60.6° |
H13 | C8 | N3 | C7 | 5.4° | 15.6° |
H13 | C8 | C9 | N4 | 78.7° | 45.2° |
O3 | C9 | N4 | C11 | 12.9° | 2.8° |
O3 | C9 | N4 | H17 | 167.1° | 177.5° |
H14 | C10 | H15 | H16 | 120.0° | 120.0° |
C11 | N4 | H17 | C9 | 180.0° | 179.7° |
N4 | C11 | C12 | C13 | 124.9° | 119.6° |
N4 | C11 | C12 | H18 | 119.0° | 120.0° |
N4 | C11 | C13 | H18 | 116.1° | 120.0° |
N4 | C11 | C12 | O4 | 169.5° | 20.4° |
N4 | C11 | C13 | C14 | 57.7° | 65.1° |
N4 | C11 | C13 | H19 | 62.6° | 55.0° |
N4 | C11 | C13 | H20 | 178.1° | 175.0° |
N4 | C11 | C12 | N5 | 8.5° | 160.4° |
H17 | N4 | C11 | C12 | 79.5° | 29.4° |
H17 | N4 | C11 | C13 | 46.4° | 90.6° |
H17 | N4 | C11 | H18 | 161.9° | 149.3° |
C12 | C11 | C13 | H18 | 116.2° | 120.3° |
C11 | C12 | O4 | N5 | 177.9° | 179.2° |
C12 | C11 | C13 | C14 | 174.5° | 175.2° |
C12 | C11 | C13 | H19 | 65.1° | 64.7° |
C12 | C11 | C13 | H20 | 54.1° | 55.3° |
C11 | C12 | N5 | C17 | 171.6° | 178.1° |
C11 | C12 | N5 | H28 | 8.4° | 3.0° |
C12 | C11 | N4 | C9 | 100.4° | 150.9° |
C13 | C11 | C12 | O4 | 65.7° | 140.0° |
C11 | C13 | C14 | H19 | 120.4° | 120.1° |
C11 | C13 | C14 | H20 | 120.4° | 119.9° |
C11 | C13 | H19 | H20 | 118.8° | 120.0° |
C11 | C13 | C14 | C15 | 175.3° | 175.0° |
C11 | C13 | C14 | C16 | 60.8° | 64.9° |
C11 | C13 | C14 | H21 | 57.0° | 55.1° |
C13 | C11 | N4 | C9 | 133.7° | 89.1° |
C13 | C11 | C12 | N5 | 116.3° | 40.8° |
H18 | C11 | C12 | O4 | 50.5° | 99.6° |
H18 | C11 | C13 | C14 | 58.3° | 55.0° |
H18 | C11 | C13 | H19 | 178.7° | 175.0° |
H18 | C11 | C13 | H20 | 62.0° | 65.0° |
H18 | C11 | N4 | C9 | 18.1° | 30.9° |
H18 | C11 | C12 | N5 | 127.5° | 79.6° |
O4 | C12 | N5 | C17 | 6.4° | 2.7° |
O4 | C12 | N5 | H28 | 173.6° | 176.2° |
C14 | C13 | H19 | H20 | 118.8° | 120.0° |
C13 | C14 | C15 | C16 | 124.4° | 120.1° |
C13 | C14 | C15 | H21 | 118.2° | 119.9° |
C13 | C14 | C16 | H21 | 117.7° | 119.9° |
C13 | C14 | C15 | H22 | 180.0° | 60.1° |
C13 | C14 | C15 | H23 | 60.0° | 180.0° |
C13 | C14 | C15 | H24 | 60.0° | 59.9° |
C13 | C14 | C16 | H25 | 180.0° | 60.0° |
C13 | C14 | C16 | H26 | 60.0° | 60.0° |
C13 | C14 | C16 | H27 | 60.0° | 180.0° |
H19 | C13 | C14 | C15 | 54.9° | 54.9° |
H19 | C13 | C14 | C16 | 178.8° | 175.0° |
H19 | C13 | C14 | H21 | 63.4° | 65.0° |
H20 | C13 | C14 | C15 | 64.3° | 65.1° |
H20 | C13 | C14 | C16 | 59.6° | 55.0° |
H20 | C13 | C14 | H21 | 177.4° | 175.0° |
C15 | C14 | C16 | H21 | 117.4° | 120.0° |
C14 | C15 | H22 | H23 | 120.0° | 119.9° |
C14 | C15 | H22 | H24 | 120.0° | 120.1° |
C14 | C15 | H23 | H24 | 120.0° | 120.1° |
C15 | C14 | C16 | H25 | 55.1° | 60.0° |
C15 | C14 | C16 | H26 | 64.9° | 180.0° |
C15 | C14 | C16 | H27 | 175.1° | 60.0° |
C16 | C14 | C15 | H22 | 55.6° | 60.0° |
C16 | C14 | C15 | H23 | 175.6° | 59.9° |
C16 | C14 | C15 | H24 | 64.4° | 180.0° |
C14 | C16 | H25 | H26 | 120.0° | 120.0° |
C14 | C16 | H25 | H27 | 120.0° | 120.0° |
C14 | C16 | H26 | H27 | 120.0° | 120.0° |
H21 | C14 | C15 | H22 | 61.8° | NaN° |
H21 | C14 | C15 | H23 | 58.2° | 60.1° |
H21 | C14 | C15 | H24 | 178.1° | 60.0° |
H21 | C14 | C16 | H25 | 62.3° | 179.9° |
H21 | C14 | C16 | H26 | 177.7° | 60.0° |
H21 | C14 | C16 | H27 | 57.7° | 60.0° |
H22 | C15 | H23 | H24 | 120.0° | 120.0° |
H25 | C16 | H26 | H27 | 120.0° | 120.0° |
C17 | N5 | H28 | C12 | 180.0° | 178.8° |
N5 | C17 | C18 | H29 | 120.4° | 120.1° |
N5 | C17 | C18 | H30 | 120.4° | 120.5° |
N5 | C17 | H29 | H30 | 118.9° | 119.4° |
N5 | C17 | C18 | O5 | 10.2° | 106.8° |
N5 | C17 | C18 | N6 | 170.0° | 73.5° |
H28 | N5 | C17 | C18 | 39.5° | 43.5° |
H28 | N5 | C17 | H29 | 80.9° | 163.4° |
H28 | N5 | C17 | H30 | 159.8° | 77.3° |
C18 | C17 | H29 | H30 | 118.8° | 119.7° |
C17 | C18 | O5 | N6 | 179.8° | 179.7° |
C17 | C18 | N6 | C19 | 175.5° | 169.9° |
C17 | C18 | N6 | H31 | 4.5° | 10.3° |
C18 | C17 | N5 | C12 | 140.6° | 137.6° |
H29 | C17 | C18 | O5 | 110.2° | 133.1° |
H29 | C17 | N5 | C12 | 99.1° | 17.7° |
H29 | C17 | C18 | N6 | 69.6° | 46.6° |
H30 | C17 | C18 | O5 | 130.5° | 13.7° |
H30 | C17 | N5 | C12 | 20.2° | 101.6° |
H30 | C17 | C18 | N6 | 49.6° | 166.0° |
O5 | C18 | N6 | C19 | 4.7° | 9.9° |
O5 | C18 | N6 | H31 | 175.3° | 170.0° |
C19 | N6 | H31 | C18 | 180.0° | 179.8° |
N6 | C19 | C20 | C21 | 120.5° | 126.1° |
N6 | C19 | C20 | H32 | 120.0° | 115.9° |
N6 | C19 | C21 | H32 | 120.0° | 115.3° |
N6 | C19 | C20 | O6 | 56.4° | 85.4° |
N6 | C19 | C21 | C22 | 61.2° | 65.0° |
N6 | C19 | C21 | H33 | 59.5° | 55.0° |
N6 | C19 | C21 | H34 | 178.1° | 174.9° |
N6 | C19 | C20 | N10 | 123.4° | 95.1° |
H31 | N6 | C19 | C20 | 122.4° | 32.8° |
H31 | N6 | C19 | C21 | 1.1° | 95.2° |
H31 | N6 | C19 | H32 | 118.3° | 149.1° |
C20 | C19 | C21 | H32 | 119.4° | 118.0° |
C19 | C20 | O6 | N10 | 179.8° | 179.5° |
C20 | C19 | C21 | C22 | 178.3° | 168.3° |
C20 | C19 | C21 | H33 | 61.0° | 71.6° |
C20 | C19 | C21 | H34 | 57.6° | 48.2° |
C19 | C20 | N10 | C25 | 176.8° | 3.9° |
C19 | C20 | N10 | H44 | 3.2° | 176.0° |
C20 | C19 | N6 | C18 | 57.6° | 147.4° |
C21 | C19 | C20 | O6 | 64.1° | 148.5° |
C19 | C21 | C22 | H33 | 120.7° | 120.0° |
C19 | C21 | C22 | H34 | 120.7° | 120.0° |
C19 | C21 | H33 | H34 | 117.9° | 119.9° |
C19 | C21 | C22 | C23 | 163.8° | 180.0° |
C19 | C21 | C22 | H35 | 76.0° | 60.0° |
C19 | C21 | C22 | H36 | 43.7° | 60.0° |
C21 | C19 | N6 | C18 | 178.8° | 84.6° |
C21 | C19 | C20 | N10 | 116.1° | 30.9° |
H32 | C19 | C20 | O6 | 176.4° | 30.5° |
H32 | C19 | C21 | C22 | 58.9° | 50.3° |
H32 | C19 | C21 | H33 | 179.5° | 170.4° |
H32 | C19 | C21 | H34 | 61.8° | 69.8° |
H32 | C19 | N6 | C18 | 61.7° | 31.1° |
H32 | C19 | C20 | N10 | 3.4° | 148.9° |
O6 | C20 | N10 | C25 | 3.0° | 175.6° |
O6 | C20 | N10 | H44 | 177.0° | 4.6° |
C22 | C21 | H33 | H34 | 117.9° | 120.1° |
C21 | C22 | C23 | H35 | 120.2° | 120.0° |
C21 | C22 | C23 | H36 | 120.2° | 120.0° |
C21 | C22 | H35 | H36 | 119.5° | 120.0° |
C21 | C22 | C23 | N7 | 82.2° | 180.0° |
C21 | C22 | C23 | H37 | 38.1° | 60.0° |
C21 | C22 | C23 | H38 | 157.5° | 60.0° |
H33 | C21 | C22 | C23 | 43.1° | 60.0° |
H33 | C21 | C22 | H35 | 163.3° | 180.0° |
H33 | C21 | C22 | H36 | 77.0° | 60.0° |
H34 | C21 | C22 | C23 | 75.5° | 60.0° |
H34 | C21 | C22 | H35 | 44.6° | 60.0° |
H34 | C21 | C22 | H36 | 164.3° | 180.0° |
C23 | C22 | H35 | H36 | 119.5° | 120.0° |
C22 | C23 | N7 | H37 | 120.3° | 120.0° |
C22 | C23 | N7 | H38 | 120.3° | 120.0° |
C22 | C23 | H37 | H38 | 119.0° | 120.1° |
C22 | C23 | N7 | C24 | 167.7° | 180.0° |
C22 | C23 | N7 | H39 | 12.4° | 0.0° |
H35 | C22 | C23 | N7 | 157.7° | 60.0° |
H35 | C22 | C23 | H37 | 82.0° | 180.0° |
H35 | C22 | C23 | H38 | 37.3° | 60.0° |
H36 | C22 | C23 | N7 | 38.0° | 60.0° |
H36 | C22 | C23 | H37 | 158.3° | 60.0° |
H36 | C22 | C23 | H38 | 82.3° | 180.0° |
N7 | C23 | H37 | H38 | 119.0° | 119.9° |
C23 | N7 | C24 | H39 | 180.0° | 180.0° |
C23 | N7 | C24 | N8 | 0.3° | 0.0° |
C23 | N7 | C24 | N9 | 178.9° | 180.0° |
H37 | C23 | N7 | C24 | 72.0° | 60.0° |
H37 | C23 | N7 | H39 | 108.0° | 120.0° |
H38 | C23 | N7 | C24 | 47.3° | 60.0° |
H38 | C23 | N7 | H39 | 132.7° | 120.0° |
N7 | C24 | N8 | N9 | 179.2° | 180.0° |
N7 | C24 | N8 | H40 | 179.2° | 0.0° |
N7 | C24 | N8 | H41 | 0.8° | 180.0° |
N7 | C24 | N9 | H42 | 179.3° | 180.0° |
N7 | C24 | N9 | H43 | 0.7° | 0.1° |
H39 | N7 | C24 | N8 | 179.7° | 180.0° |
H39 | N7 | C24 | N9 | 1.1° | 0.0° |
C24 | N8 | H40 | H41 | 180.0° | 180.0° |
N8 | C24 | N9 | H42 | 0.0° | 0.0° |
N8 | C24 | N9 | H43 | 180.0° | 180.0° |
N9 | C24 | N8 | H40 | 0.0° | 180.0° |
N9 | C24 | N8 | H41 | 180.0° | 0.0° |
C24 | N9 | H42 | H43 | 180.0° | 180.0° |
C25 | N10 | H44 | C20 | 180.0° | 179.9° |
N10 | C25 | C26 | H45 | 120.3° | 119.9° |
N10 | C25 | C26 | H46 | 120.3° | 121.5° |
N10 | C25 | H45 | H46 | 119.2° | 121.1° |
N10 | C25 | C26 | O7 | 161.7° | 137.3° |
N10 | C25 | C26 | N11 | 17.4° | 42.3° |
H44 | N10 | C25 | C26 | 61.6° | 3.5° |
H44 | N10 | C25 | H45 | 58.7° | 114.8° |
H44 | N10 | C25 | H46 | 178.1° | 124.2° |
C26 | C25 | H45 | H46 | 119.2° | 117.7° |
C25 | C26 | O7 | N11 | 179.0° | 179.6° |
C25 | C26 | N11 | C27 | 174.6° | 171.9° |
C25 | C26 | N11 | H47 | 5.4° | 8.7° |
C26 | C25 | N10 | C20 | 118.4° | 176.3° |
H45 | C25 | C26 | O7 | 41.5° | 17.4° |
H45 | C25 | N10 | C20 | 121.3° | 65.3° |
H45 | C25 | C26 | N11 | 137.6° | 162.2° |
H46 | C25 | C26 | O7 | 78.0° | 101.2° |
H46 | C25 | N10 | C20 | 1.8° | 55.7° |
H46 | C25 | C26 | N11 | 102.9° | 79.2° |
O7 | C26 | N11 | C27 | 6.3° | 8.5° |
O7 | C26 | N11 | H47 | 173.7° | 170.9° |
C27 | N11 | H47 | C26 | 180.0° | 179.4° |
N11 | C27 | C28 | C29 | 123.8° | 122.8° |
N11 | C27 | C28 | H48 | 120.4° | 118.7° |
N11 | C27 | C29 | H48 | 117.0° | 117.4° |
N11 | C27 | C28 | O8 | 179.3° | 98.3° |
N11 | C27 | C29 | S3 | 83.6° | 48.6° |
N11 | C27 | C29 | H49 | 36.9° | 71.7° |
N11 | C27 | C29 | H50 | 155.8° | 168.2° |
N11 | C27 | C28 | N12 | 1.1° | 81.0° |
H47 | N11 | C27 | C28 | 73.7° | 94.6° |
H47 | N11 | C27 | C29 | 50.0° | 28.9° |
H47 | N11 | C27 | H48 | 166.4° | 146.3° |
C28 | C27 | C29 | H48 | 115.8° | 119.0° |
C27 | C28 | O8 | N12 | 179.6° | 179.4° |
C28 | C27 | C29 | S3 | 149.2° | 172.2° |
C28 | C27 | C29 | H49 | 90.2° | 52.0° |
C28 | C27 | C29 | H50 | 28.7° | 68.2° |
C27 | C28 | N12 | C30 | 178.9° | 169.4° |
C27 | C28 | N12 | H51 | 1.0° | 11.2° |
C28 | C27 | N11 | C26 | 106.3° | 84.8° |
C29 | C27 | C28 | O8 | 56.9° | 138.9° |
C27 | C29 | S3 | H49 | 120.6° | 120.2° |
C27 | C29 | S3 | H50 | 120.6° | 119.7° |
C27 | C29 | H49 | H50 | 118.3° | 120.2° |
C27 | C29 | S3 | S1 | 64.3° | 149.2° |
C29 | C27 | N11 | C26 | 130.0° | 151.7° |
C29 | C27 | C28 | N12 | 122.8° | 41.7° |
H48 | C27 | C28 | O8 | 58.9° | 20.4° |
H48 | C27 | C29 | S3 | 33.4° | 68.9° |
H48 | C27 | C29 | H49 | 153.9° | 170.9° |
H48 | C27 | C29 | H50 | 87.2° | 50.8° |
H48 | C27 | N11 | C26 | 13.6° | 34.3° |
H48 | C27 | C28 | N12 | 121.4° | 160.3° |
O8 | C28 | N12 | C30 | 0.7° | 11.2° |
O8 | C28 | N12 | H51 | 179.3° | 168.1° |
S3 | C29 | H49 | H50 | 118.3° | 120.0° |
H49 | C29 | S3 | S1 | 175.1° | 90.6° |
H50 | C29 | S3 | S1 | 56.2° | 29.5° |
C30 | N12 | H51 | C28 | 180.0° | 179.3° |
N12 | C30 | C31 | C32 | 122.0° | 119.6° |
N12 | C30 | C31 | H52 | 120.2° | 120.8° |
N12 | C30 | C32 | H52 | 120.6° | 120.1° |
N12 | C30 | C31 | O9 | 42.0° | 19.6° |
N12 | C30 | C32 | C33 | 69.1° | 65.0° |
N12 | C30 | C32 | H53 | 51.7° | 55.0° |
N12 | C30 | C32 | H54 | 170.1° | 175.0° |
N12 | C30 | C31 | N13 | 137.6° | 160.8° |
H51 | N12 | C30 | C31 | 122.5° | 27.5° |
H51 | N12 | C30 | C32 | 2.2° | 92.5° |
H51 | N12 | C30 | H52 | 117.9° | 147.8° |
C31 | C30 | C32 | H52 | 117.9° | 119.6° |
C30 | C31 | O9 | N13 | 179.6° | 179.6° |
C31 | C30 | C32 | C33 | 169.4° | 174.8° |
C31 | C30 | C32 | H53 | 69.8° | 65.3° |
C31 | C30 | C32 | H54 | 48.6° | 54.7° |
C30 | C31 | N13 | C35 | 171.0° | 178.4° |
C30 | C31 | N13 | H58 | 9.0° | 2.6° |
C31 | C30 | N12 | C28 | 57.6° | 151.8° |
C32 | C30 | C31 | O9 | 80.0° | 139.1° |
C30 | C32 | C33 | H53 | 120.8° | 119.9° |
C30 | C32 | C33 | H54 | 120.8° | 120.0° |
C30 | C32 | H53 | H54 | 117.6° | 120.0° |
C30 | C32 | C33 | C34 | 90.3° | 179.9° |
C30 | C32 | C33 | H55 | 149.2° | 60.0° |
C30 | C32 | C33 | H56 | 30.3° | 60.0° |
C32 | C30 | N12 | C28 | 177.8° | 88.1° |
C32 | C30 | C31 | N13 | 100.3° | 41.2° |
H52 | C30 | C31 | O9 | 162.2° | 101.2° |
H52 | C30 | C32 | C33 | 51.5° | 55.1° |
H52 | C30 | C32 | H53 | 172.3° | 175.1° |
H52 | C30 | C32 | H54 | 69.3° | 64.9° |
H52 | C30 | N12 | C28 | 62.1° | 31.6° |
H52 | C30 | C31 | N13 | 17.5° | 78.4° |
O9 | C31 | N13 | C35 | 9.3° | 2.0° |
O9 | C31 | N13 | H58 | 170.7° | 177.0° |
C33 | C32 | H53 | H54 | 117.6° | 120.1° |
C32 | C33 | C34 | H55 | 120.5° | 120.0° |
C32 | C33 | C34 | H56 | 120.5° | 120.0° |
C32 | C33 | H55 | H56 | 118.4° | 120.0° |
C32 | C33 | C34 | O10 | 12.5° | 0.1° |
C32 | C33 | C34 | O11 | 166.0° | 180.0° |
H53 | C32 | C33 | C34 | 30.5° | 60.0° |
H53 | C32 | C33 | H55 | 90.0° | 179.9° |
H53 | C32 | C33 | H56 | 151.0° | 59.9° |
H54 | C32 | C33 | C34 | 149.0° | 60.0° |
H54 | C32 | C33 | H55 | 28.4° | 60.0° |
H54 | C32 | C33 | H56 | 90.5° | NaN° |
C34 | C33 | H55 | H56 | 118.5° | 120.0° |
C33 | C34 | O10 | O11 | 178.4° | 180.0° |
C33 | C34 | O11 | H57 | 178.4° | 179.9° |
H55 | C33 | C34 | O10 | 133.0° | 120.0° |
H55 | C33 | C34 | O11 | 45.5° | 60.0° |
H56 | C33 | C34 | O10 | 108.0° | 120.1° |
H56 | C33 | C34 | O11 | 73.5° | 60.0° |
O10 | C34 | O11 | H57 | 0.0° | 0.0° |
C35 | N13 | H58 | C31 | 180.0° | 178.9° |
N13 | C35 | C36 | C37 | 121.1° | 119.2° |
N13 | C35 | C36 | H59 | 120.5° | 120.7° |
N13 | C35 | C37 | H59 | 118.2° | 120.8° |
N13 | C35 | C36 | O12 | 135.4° | 67.1° |
N13 | C35 | C37 | C38 | 165.7° | 62.6° |
N13 | C35 | C37 | H60 | 45.2° | 57.4° |
N13 | C35 | C37 | H61 | 73.7° | 177.3° |
N13 | C35 | C36 | N15 | 43.7° | 112.1° |
H58 | N13 | C35 | C36 | 124.6° | 94.6° |
H58 | N13 | C35 | C37 | 112.7° | 24.4° |
H58 | N13 | C35 | H59 | 4.8° | 144.9° |
C36 | C35 | C37 | H59 | 118.4° | 120.2° |
C35 | C36 | O12 | N15 | 179.0° | 179.2° |
C36 | C35 | C37 | C38 | 70.8° | 178.4° |
C36 | C35 | C37 | H60 | 168.6° | 61.6° |
C36 | C35 | C37 | H61 | 49.7° | 58.3° |
C35 | C36 | N15 | C39 | 179.3° | 156.1° |
C35 | C36 | N15 | H64 | 0.7° | 22.5° |
C36 | C35 | N13 | C31 | 55.3° | 86.4° |
C37 | C35 | C36 | O12 | 14.3° | 52.1° |
C35 | C37 | C38 | H60 | 120.6° | 120.1° |
C35 | C37 | C38 | H61 | 120.6° | 120.0° |
C35 | C37 | H60 | H61 | 118.3° | 120.0° |
C35 | C37 | C38 | O13 | 36.9° | 4.7° |
C35 | C37 | C38 | N14 | 143.8° | 175.4° |
C37 | C35 | N13 | C31 | 67.3° | 154.6° |
C37 | C35 | C36 | N15 | 164.8° | 128.7° |
H59 | C35 | C36 | O12 | 104.1° | 172.2° |
H59 | C35 | C37 | C38 | 47.6° | 58.2° |
H59 | C35 | C37 | H60 | 73.0° | 178.2° |
H59 | C35 | C37 | H61 | 168.1° | 61.9° |
H59 | C35 | N13 | C31 | 175.2° | 34.1° |
H59 | C35 | C36 | N15 | 76.8° | 8.6° |
O12 | C36 | N15 | C39 | 1.6° | 24.7° |
O12 | C36 | N15 | H64 | 178.4° | 156.7° |
C38 | C37 | H60 | H61 | 118.3° | 120.0° |
C37 | C38 | O13 | N14 | 179.3° | 179.9° |
C37 | C38 | N14 | H62 | 179.3° | 0.0° |
C37 | C38 | N14 | H63 | 0.7° | 180.0° |
H60 | C37 | C38 | O13 | 83.6° | 115.3° |
H60 | C37 | C38 | N14 | 95.7° | 64.6° |
H61 | C37 | C38 | O13 | 157.5° | 124.7° |
H61 | C37 | C38 | N14 | 23.2° | 55.3° |
O13 | C38 | N14 | H62 | 0.0° | 180.0° |
O13 | C38 | N14 | H63 | 180.0° | 0.0° |
C38 | N14 | H62 | H63 | 180.0° | 180.0° |
C39 | N15 | H64 | C36 | 180.0° | 178.7° |
N15 | C39 | C40 | C41 | 123.9° | 127.0° |
N15 | C39 | C40 | H65 | 119.1° | 116.5° |
N15 | C39 | C41 | H65 | 119.5° | 118.6° |
N15 | C39 | C40 | O14 | 20.0° | 113.2° |
N15 | C39 | C41 | C42 | 89.7° | 179.3° |
N15 | C39 | C41 | H66 | 31.0° | 59.2° |
N15 | C39 | C41 | H67 | 149.6° | 60.8° |
N15 | C39 | C40 | N18 | 159.8° | 66.9° |
H64 | N15 | C39 | C40 | 72.7° | 12.2° |
H64 | N15 | C39 | C41 | 49.5° | 137.4° |
H64 | N15 | C39 | H65 | 168.5° | 104.0° |
C40 | C39 | C41 | H65 | 117.0° | 116.1° |
C39 | C40 | O14 | N18 | 179.8° | 179.9° |
C40 | C39 | C41 | C42 | 146.7° | 55.5° |
C40 | C39 | C41 | H66 | 92.6° | 175.5° |
C40 | C39 | C41 | H67 | 26.0° | 64.5° |
C39 | C40 | N18 | C45 | 176.7° | 5.2° |
C39 | C40 | N18 | H72 | 3.3° | 174.6° |
C40 | C39 | N15 | C36 | 107.3° | 169.3° |
C41 | C39 | C40 | O14 | 103.9° | 119.9° |
C39 | C41 | C42 | H66 | 120.7° | 120.0° |
C39 | C41 | C42 | H67 | 120.7° | 119.9° |
C39 | C41 | H66 | H67 | 117.9° | 120.0° |
C39 | C41 | C42 | N16 | 59.5° | 94.4° |
C39 | C41 | C42 | C43 | 121.6° | 85.9° |
C41 | C39 | N15 | C36 | 130.5° | 44.1° |
C41 | C39 | C40 | N18 | 76.2° | 60.0° |
H65 | C39 | C40 | O14 | 139.1° | 3.3° |
H65 | C39 | C41 | C42 | 29.7° | 60.7° |
H65 | C39 | C41 | H66 | 150.4° | 59.4° |
H65 | C39 | C41 | H67 | 91.0° | 179.4° |
H65 | C39 | N15 | C36 | 11.4° | 74.6° |
H65 | C39 | C40 | N18 | 40.7° | 176.6° |
O14 | C40 | N18 | C45 | 3.4° | 174.9° |
O14 | C40 | N18 | H72 | 176.5° | 5.3° |
C42 | C41 | H66 | H67 | 117.9° | 120.0° |
C41 | C42 | N16 | C43 | 179.2° | 179.7° |
C41 | C42 | N16 | C44 | 179.8° | 180.0° |
C41 | C42 | N16 | H68 | 0.2° | 0.0° |
C41 | C42 | C43 | N17 | 180.0° | 180.0° |
C41 | C42 | C43 | H69 | 0.0° | 0.1° |
H66 | C41 | C42 | N16 | 61.2° | 25.6° |
H66 | C41 | C42 | C43 | 117.7° | 154.0° |
H67 | C41 | C42 | N16 | 179.8° | 145.6° |
H67 | C41 | C42 | C43 | 0.9° | 34.0° |
C42 | N16 | C44 | H68 | 180.0° | 180.0° |
N16 | C42 | C43 | N17 | 0.9° | 0.3° |
N16 | C42 | C43 | H69 | 179.1° | 179.8° |
C42 | N16 | C44 | N17 | 0.8° | 0.1° |
C42 | N16 | C44 | H70 | 179.2° | 180.0° |
C43 | C42 | N16 | C44 | 1.0° | 0.3° |
C43 | C42 | N16 | H68 | 178.9° | 179.7° |
C42 | C43 | N17 | H69 | 180.0° | 179.9° |
C42 | C43 | N17 | C44 | 0.5° | 0.2° |
C42 | C43 | N17 | H71 | 179.5° | 180.0° |
N16 | C44 | N17 | C43 | 0.2° | 0.0° |
N16 | C44 | N17 | H70 | 180.0° | 179.9° |
N16 | C44 | N17 | H71 | 179.8° | 179.9° |
H68 | N16 | C44 | N17 | 179.2° | 179.9° |
H68 | N16 | C44 | H70 | 0.8° | 0.0° |
C43 | N17 | C44 | H71 | 180.0° | 179.8° |
C43 | N17 | C44 | H70 | 179.8° | 179.8° |
H69 | C43 | N17 | C44 | 179.6° | 179.9° |
H69 | C43 | N17 | H71 | 0.5° | 0.1° |
H70 | C44 | N17 | H71 | 0.2° | 0.0° |
C45 | N18 | H72 | C40 | 180.0° | 179.8° |
N18 | C45 | C46 | C47 | 119.9° | 118.6° |
N18 | C45 | C46 | H73 | 119.5° | 122.7° |
N18 | C45 | C47 | H73 | 121.0° | 123.0° |
N18 | C45 | C46 | O15 | 64.7° | 11.9° |
N18 | C45 | C47 | C48 | 165.8° | 45.1° |
N18 | C45 | C47 | H74 | 73.3° | 75.0° |
N18 | C45 | C47 | H75 | 44.9° | 165.0° |
N18 | C45 | C46 | N22 | 113.7° | 168.6° |
H72 | N18 | C45 | C46 | 75.5° | 29.9° |
H72 | N18 | C45 | C47 | 45.3° | 88.3° |
H72 | N18 | C45 | H73 | 165.6° | 150.5° |
C46 | C45 | C47 | H73 | 120.7° | 118.5° |
C45 | C46 | O15 | N22 | 178.3° | 179.5° |
C46 | C45 | C47 | C48 | 47.5° | 163.6° |
C46 | C45 | C47 | H74 | 168.4° | 43.6° |
C46 | C45 | C47 | H75 | 73.4° | 76.5° |
C45 | C46 | N22 | C51 | 170.6° | 168.8° |
C45 | C46 | N22 | H85 | 9.4° | 12.0° |
C46 | C45 | N18 | C40 | 104.6° | 150.0° |
C47 | C45 | C46 | O15 | 55.3° | 130.5° |
C45 | C47 | C48 | H74 | 120.9° | 120.0° |
C45 | C47 | C48 | H75 | 120.9° | 119.9° |
C45 | C47 | H74 | H75 | 117.2° | 120.0° |
C45 | C47 | C48 | C49 | 172.2° | 160.8° |
C45 | C47 | C48 | H76 | 67.7° | 79.2° |
C45 | C47 | C48 | H77 | 52.1° | 40.9° |
C47 | C45 | N18 | C40 | 134.7° | 91.9° |
C47 | C45 | C46 | N22 | 126.3° | 49.9° |
H73 | C45 | C46 | O15 | 175.8° | 110.8° |
H73 | C45 | C47 | C48 | 73.1° | 77.9° |
H73 | C45 | C47 | H74 | 47.7° | 162.0° |
H73 | C45 | C47 | H75 | 166.0° | 42.0° |
H73 | C45 | N18 | C40 | 14.3° | 29.3° |
H73 | C45 | C46 | N22 | 5.8° | 68.7° |
O15 | C46 | N22 | C51 | 11.0° | 11.6° |
O15 | C46 | N22 | H85 | 169.0° | 167.5° |
C48 | C47 | H74 | H75 | 117.2° | 120.0° |
C47 | C48 | C49 | H76 | 120.1° | 120.0° |
C47 | C48 | C49 | H77 | 120.1° | 119.9° |
C47 | C48 | H76 | H77 | 119.5° | 120.1° |
C47 | C48 | C49 | N19 | 41.7° | 175.4° |
C47 | C48 | C49 | H78 | 161.6° | 64.5° |
C47 | C48 | C49 | H79 | 78.3° | 55.4° |
H74 | C47 | C48 | C49 | 51.3° | 40.8° |
H74 | C47 | C48 | H76 | 171.5° | 160.8° |
H74 | C47 | C48 | H77 | 68.8° | 79.1° |
H75 | C47 | C48 | C49 | 66.9° | 79.3° |
H75 | C47 | C48 | H76 | 53.2° | 40.7° |
H75 | C47 | C48 | H77 | 173.0° | 160.8° |
C49 | C48 | H76 | H77 | 119.5° | 120.0° |
C48 | C49 | N19 | H78 | 119.9° | 120.0° |
C48 | C49 | N19 | H79 | 119.9° | 120.0° |
C48 | C49 | H78 | H79 | 120.2° | 119.9° |
C48 | C49 | N19 | C50 | 109.9° | 175.1° |
C48 | C49 | N19 | H80 | 70.0° | 4.9° |
H76 | C48 | C49 | N19 | 78.4° | 55.4° |
H76 | C48 | C49 | H78 | 41.5° | 175.5° |
H76 | C48 | C49 | H79 | 161.6° | 64.6° |
H77 | C48 | C49 | N19 | 161.8° | 64.6° |
H77 | C48 | C49 | H78 | 78.2° | 55.4° |
H77 | C48 | C49 | H79 | 41.9° | 175.4° |
N19 | C49 | H78 | H79 | 120.2° | 120.0° |
C49 | N19 | C50 | H80 | 180.0° | 180.0° |
C49 | N19 | C50 | N20 | 2.9° | 5.2° |
C49 | N19 | C50 | N21 | 178.4° | 174.9° |
H78 | C49 | N19 | C50 | 130.1° | 64.8° |
H78 | C49 | N19 | H80 | 49.9° | 115.1° |
H79 | C49 | N19 | C50 | 10.0° | 55.2° |
H79 | C49 | N19 | H80 | 170.0° | 124.9° |
N19 | C50 | N20 | N21 | 178.7° | 179.9° |
N19 | C50 | N20 | H81 | 178.7° | 0.0° |
N19 | C50 | N20 | H82 | 1.3° | 180.0° |
N19 | C50 | N21 | H83 | 178.7° | 5.1° |
N19 | C50 | N21 | H84 | 1.3° | 174.9° |
H80 | N19 | C50 | N20 | 177.1° | 174.9° |
H80 | N19 | C50 | N21 | 1.6° | 5.0° |
C50 | N20 | H81 | H82 | 180.0° | 180.0° |
N20 | C50 | N21 | H83 | 0.0° | 175.0° |
N20 | C50 | N21 | H84 | 180.0° | 5.0° |
N21 | C50 | N20 | H81 | 0.0° | 180.0° |
N21 | C50 | N20 | H82 | 180.0° | 0.1° |
C50 | N21 | H83 | H84 | 180.0° | 179.9° |
C51 | N22 | H85 | C46 | 180.0° | 179.1° |
N22 | C51 | C52 | C53 | 122.4° | 119.4° |
N22 | C51 | C52 | H86 | 119.3° | 120.5° |
N22 | C51 | C53 | H86 | 120.0° | 120.8° |
N22 | C51 | C52 | O16 | 81.6° | 43.8° |
N22 | C51 | C53 | S4 | 63.7° | 138.3° |
N22 | C51 | C53 | H87 | 57.0° | 102.0° |
N22 | C51 | C53 | H88 | 175.7° | 18.8° |
N22 | C51 | C52 | N23 | 97.4° | 136.2° |
H85 | N22 | C51 | C52 | 47.6° | 104.6° |
H85 | N22 | C51 | C53 | 74.0° | 14.5° |
H85 | N22 | C51 | H86 | 166.5° | 135.2° |
C52 | C51 | C53 | H86 | 118.4° | 119.8° |
C51 | C52 | O16 | N23 | 179.0° | 180.0° |
C52 | C51 | C53 | S4 | 174.7° | 19.0° |
C52 | C51 | C53 | H87 | 64.7° | 138.7° |
C52 | C51 | C53 | H88 | 54.0° | 100.6° |
C51 | C52 | N23 | C54 | 177.2° | 174.3° |
C51 | C52 | N23 | H89 | 2.8° | 5.8° |
C52 | C51 | N22 | C46 | 132.4° | 76.3° |
C53 | C51 | C52 | O16 | 40.8° | 75.6° |
C51 | C53 | S4 | H87 | 120.7° | 119.5° |
C51 | C53 | S4 | H88 | 120.6° | 119.7° |
C51 | C53 | H87 | H88 | 118.0° | 120.5° |
C51 | C53 | S4 | S2 | 107.8° | 178.8° |
C53 | C51 | N22 | C46 | 106.0° | 164.7° |
C53 | C51 | C52 | N23 | 140.2° | 104.4° |
H86 | C51 | C52 | O16 | 159.1° | 164.3° |
H86 | C51 | C53 | S4 | 56.3° | 100.8° |
H86 | C51 | C53 | H87 | 176.9° | 18.8° |
H86 | C51 | C53 | H88 | 64.4° | 139.6° |
H86 | C51 | N22 | C46 | 13.5° | 43.9° |
H86 | C51 | C52 | N23 | 21.9° | 15.7° |
O16 | C52 | N23 | C54 | 3.8° | 5.7° |
O16 | C52 | N23 | H89 | 176.2° | 174.3° |
S4 | C53 | H87 | H88 | 118.0° | 120.4° |
H87 | C53 | S4 | S2 | 12.9° | 61.7° |
H88 | C53 | S4 | S2 | 131.6° | 59.1° |
C54 | N23 | H89 | C52 | 180.0° | 180.0° |
N23 | C54 | C55 | C56 | 124.8° | 120.0° |
N23 | C54 | C55 | H90 | 118.1° | 120.0° |
N23 | C54 | C56 | H90 | 119.0° | 120.0° |
N23 | C54 | C55 | O17 | 156.2° | 12.9° |
N23 | C54 | C56 | C57 | 84.9° | 65.0° |
N23 | C54 | C56 | H91 | 36.1° | 55.0° |
N23 | C54 | C56 | H92 | 154.1° | 175.0° |
N23 | C54 | C55 | N24 | 23.2° | 167.1° |
H89 | N23 | C54 | C55 | 105.8° | 93.0° |
H89 | N23 | C54 | C56 | 18.1° | 27.0° |
H89 | N23 | C54 | H90 | 136.5° | 147.0° |
C55 | C54 | C56 | H90 | 117.1° | 120.0° |
C54 | C55 | O17 | N24 | 179.4° | 180.0° |
C55 | C54 | C56 | C57 | 151.2° | 175.0° |
C55 | C54 | C56 | H91 | 87.8° | 65.0° |
C55 | C54 | C56 | H92 | 30.1° | 55.0° |
C54 | C55 | N24 | H100 | 179.4° | 0.0° |
C54 | C55 | N24 | H101 | 0.6° | 180.0° |
C55 | C54 | N23 | C52 | 74.2° | 87.0° |
C56 | C54 | C55 | O17 | 79.0° | 107.1° |
C54 | C56 | C57 | H91 | 121.0° | 120.0° |
C54 | C56 | C57 | H92 | 121.1° | 120.0° |
C54 | C56 | H91 | H92 | 116.7° | 120.0° |
C54 | C56 | C57 | C58 | 62.1° | 175.0° |
C54 | C56 | C57 | C59 | 62.0° | 65.0° |
C54 | C56 | C57 | H93 | 179.6° | 55.0° |
C56 | C54 | N23 | C52 | 161.9° | 153.0° |
C56 | C54 | C55 | N24 | 101.6° | 72.9° |
H90 | C54 | C55 | O17 | 38.1° | 132.9° |
H90 | C54 | C56 | C57 | 34.1° | 55.0° |
H90 | C54 | C56 | H91 | 155.1° | 174.9° |
H90 | C54 | C56 | H92 | 87.0° | 65.0° |
H90 | C54 | N23 | C52 | 43.5° | 33.0° |
H90 | C54 | C55 | N24 | 141.3° | 47.2° |
O17 | C55 | N24 | H100 | 0.0° | 180.0° |
O17 | C55 | N24 | H101 | 180.0° | 0.1° |
C57 | C56 | H91 | H92 | 116.7° | 120.0° |
C56 | C57 | C58 | C59 | 124.3° | 120.0° |
C56 | C57 | C58 | H93 | 118.3° | 120.0° |
C56 | C57 | C59 | H93 | 117.6° | 120.0° |
C56 | C57 | C58 | H94 | 180.0° | 60.0° |
C56 | C57 | C58 | H95 | 60.0° | 180.0° |
C56 | C57 | C58 | H96 | 60.0° | 60.0° |
C56 | C57 | C59 | H97 | 180.0° | 60.0° |
C56 | C57 | C59 | H98 | 60.0° | 60.0° |
C56 | C57 | C59 | H99 | 60.0° | 180.0° |
H91 | C56 | C57 | C58 | 176.9° | 55.1° |
H91 | C56 | C57 | C59 | 59.1° | 175.0° |
H91 | C56 | C57 | H93 | 58.6° | 65.0° |
H92 | C56 | C57 | C58 | 59.0° | 65.0° |
H92 | C56 | C57 | C59 | 177.0° | 55.0° |
H92 | C56 | C57 | H93 | 59.3° | 175.0° |
C58 | C57 | C59 | H93 | 117.4° | 120.0° |
C57 | C58 | H94 | H95 | 120.0° | 120.0° |
C57 | C58 | H94 | H96 | 120.0° | 120.0° |
C57 | C58 | H95 | H96 | 120.0° | 120.0° |
C58 | C57 | C59 | H97 | 55.0° | 60.0° |
C58 | C57 | C59 | H98 | 65.0° | 180.0° |
C58 | C57 | C59 | H99 | 175.0° | 60.0° |
C59 | C57 | C58 | H94 | 55.7° | 60.0° |
C59 | C57 | C58 | H95 | 175.7° | 60.0° |
C59 | C57 | C58 | H96 | 64.3° | 180.0° |
C57 | C59 | H97 | H98 | 120.0° | 120.1° |
C57 | C59 | H97 | H99 | 120.0° | 120.0° |
C57 | C59 | H98 | H99 | 120.0° | 120.0° |
H93 | C57 | C58 | H94 | 61.7° | 180.0° |
H93 | C57 | C58 | H95 | 58.3° | 60.0° |
H93 | C57 | C58 | H96 | 178.3° | 60.0° |
H93 | C57 | C59 | H97 | 62.4° | 180.0° |
H93 | C57 | C59 | H98 | 177.6° | 60.0° |
H93 | C57 | C59 | H99 | 57.6° | 60.0° |
H94 | C58 | H95 | H96 | 120.0° | 120.0° |
H97 | C59 | H98 | H99 | 120.0° | 120.0° |
H100 | N24 | H101 | C55 | 180.0° | 180.0° |