PRD_001227
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 | 1.24Å | |
C7 | O2 | doub | 1.21Å | 1.25Å | |
C7 | C3 | sing | 1.52Å | 1.40Å | |
C3 | N2 | sing | 1.47Å | 1.48Å | |
C3 | C4 | sing | 1.52Å | 1.50Å | |
C4 | C5 | sing | 1.52Å | 1.51Å | |
C5 | S2 | sing | 1.80Å | 1.68Å | |
C5 | C6 | sing | 1.53Å | 1.52Å | |
C6 | S1 | sing | 1.82Å | 1.66Å | |
N2 | H5 | sing | 0.97Å | 1.00Å | |
C3 | H6 | sing | 1.09Å | 1.10Å | |
C4 | H7 | sing | 1.10Å | 1.10Å | |
C4 | H8 | sing | 1.10Å | 1.10Å | |
C5 | H9 | sing | 1.11Å | 1.10Å | |
C6 | H10 | sing | 1.09Å | 1.10Å | |
C6 | H11 | sing | 1.10Å | 1.10Å | |
N3 | C8 | sing | 1.46Å | 1.48Å | |
N3 | H12 | sing | 0.97Å | 1.00Å | |
C8 | C9 | sing | 1.50Å | 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 | 1.46Å | 1.47Å | |
N4 | H17 | sing | 0.97Å | 1.00Å | |
C11 | C12 | sing | 1.50Å | 1.53Å | |
C11 | C13 | sing | 1.53Å | 1.54Å | |
C11 | H18 | sing | 1.09Å | 1.10Å | |
C12 | O4 | doub | 1.21Å | 1.23Å | |
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 | 1.47Å | |
N5 | H28 | sing | 0.97Å | 1.00Å | |
C17 | C18 | sing | 1.51Å | 1.52Å | |
C17 | H29 | sing | 1.09Å | 1.10Å | |
C17 | H30 | sing | 1.09Å | 1.10Å | |
C18 | O5 | doub | 1.22Å | 1.23Å | |
N6 | C19 | sing | 1.47Å | 1.46Å | |
N6 | H31 | sing | 0.97Å | 1.00Å | |
C19 | C20 | sing | 1.50Å | 1.54Å | |
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 | 1.53Å | |
C22 | H35 | sing | 1.09Å | 1.10Å | |
C22 | H36 | sing | 1.09Å | 1.10Å | |
C23 | N7 | sing | 1.47Å | 1.47Å | |
C23 | H37 | sing | 1.09Å | 1.10Å | |
C23 | H38 | sing | 1.09Å | 1.10Å | |
N7 | C24 | sing | 1.37Å | 1.34Å | |
N7 | H39 | sing | 0.97Å | 1.00Å | |
C24 | N8 | sing | 1.33Å | 1.32Å | |
C24 | N9 | doub | 1.33Å | 1.32Å | |
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 | 1.45Å | 1.46Å | |
N10 | H44 | sing | 0.99Å | 1.00Å | |
C25 | C26 | sing | 1.51Å | 1.52Å | |
C25 | H45 | sing | 1.10Å | 1.10Å | |
C25 | H46 | sing | 1.09Å | 1.10Å | |
C26 | O7 | doub | 1.21Å | 1.23Å | |
N11 | C27 | sing | 1.46Å | 1.46Å | |
N11 | H47 | sing | 0.97Å | 1.00Å | |
C27 | C28 | sing | 1.51Å | 1.52Å | |
C27 | C29 | sing | 1.52Å | 1.53Å | |
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 | 1.46Å | 1.46Å | |
N12 | H51 | sing | 0.97Å | 1.00Å | |
C30 | C31 | sing | 1.50Å | 1.54Å | |
C30 | C32 | sing | 1.53Å | 1.53Å | |
C30 | H52 | sing | 1.09Å | 1.10Å | |
C31 | O9 | doub | 1.22Å | 1.23Å | |
C32 | C33 | sing | 1.53Å | 1.52Å | |
C32 | H53 | sing | 1.09Å | 1.10Å | |
C32 | H54 | sing | 1.09Å | 1.10Å | |
C33 | C34 | sing | 1.51Å | 1.50Å | |
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 | 1.24Å | |
O11 | H57 | sing | 0.97Å | 0.95Å | |
N13 | C35 | sing | 1.47Å | 1.48Å | |
N13 | H58 | sing | 0.97Å | 1.00Å | |
C35 | C36 | sing | 1.51Å | 1.54Å | |
C35 | C37 | sing | 1.53Å | 1.55Å | |
C35 | H59 | sing | 1.09Å | 1.10Å | |
C36 | O12 | doub | 1.21Å | 1.24Å | |
C37 | C38 | sing | 1.51Å | 1.53Å | |
C37 | H60 | sing | 1.09Å | 1.10Å | |
C37 | H61 | sing | 1.09Å | 1.10Å | |
C38 | O13 | doub | 1.21Å | 1.22Å | |
C38 | N14 | sing | 1.35Å | 1.34Å | |
N14 | H62 | sing | 0.97Å | 1.00Å | |
N14 | H63 | sing | 0.97Å | 1.00Å | |
N15 | C39 | sing | 1.47Å | 1.45Å | |
N15 | H64 | sing | 0.97Å | 1.00Å | |
C39 | C40 | sing | 1.50Å | 1.52Å | |
C39 | C41 | sing | 1.53Å | 1.53Å | |
C39 | H65 | sing | 1.08Å | 1.10Å | |
C40 | O14 | doub | 1.23Å | 1.23Å | |
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 | 1.35Å | Aromatic |
N16 | C44 | doub | 1.31Å | 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 | 1.45Å | 1.45Å | |
N18 | H72 | sing | 1.00Å | 1.00Å | |
C45 | C46 | sing | 1.51Å | 1.52Å | |
C45 | C47 | sing | 1.52Å | 1.53Å | |
C45 | H73 | sing | 1.11Å | 1.10Å | |
C46 | O15 | doub | 1.22Å | 1.23Å | |
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 | 1.53Å | |
C48 | H76 | sing | 1.09Å | 1.10Å | |
C48 | H77 | sing | 1.09Å | 1.10Å | |
C49 | N19 | sing | 1.47Å | 1.45Å | |
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 | 0.98Å | 1.00Å | |
C51 | C52 | sing | 1.51Å | 1.51Å | |
C51 | C53 | sing | 1.53Å | 1.52Å | |
C51 | H86 | sing | 1.10Å | 1.10Å | |
C52 | O16 | doub | 1.21Å | 1.23Å | |
C53 | S4 | sing | 1.81Å | 1.81Å | |
C53 | H87 | sing | 1.09Å | 1.10Å | |
C53 | H88 | sing | 1.09Å | 1.10Å | |
N23 | C54 | sing | 1.47Å | 1.45Å | |
N23 | H89 | sing | 0.97Å | 1.00Å | |
C54 | C55 | sing | 1.51Å | 1.52Å | |
C54 | C56 | sing | 1.53Å | 1.54Å | |
C54 | H90 | sing | 1.09Å | 1.10Å | |
C55 | O17 | doub | 1.21Å | 1.23Å | |
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 | 1.52Å | |
C57 | C59 | sing | 1.53Å | 1.53Å | |
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 | 1.34Å | |
S1 | S4 | sing | 2.05Å | 2.04Å | |
S2 | S3 | sing | 2.05Å | 2.03Å | |
C7 | N3 | sing | 1.35Å | 1.34Å | |
C9 | N4 | sing | 1.35Å | 1.33Å | |
C12 | N5 | sing | 1.34Å | 1.34Å | |
C18 | N6 | sing | 1.35Å | 1.32Å | |
C20 | N10 | sing | 1.34Å | 1.33Å | |
C26 | N11 | sing | 1.35Å | 1.33Å | |
C28 | N12 | sing | 1.35Å | 1.33Å | |
C31 | N13 | sing | 1.34Å | 1.33Å | |
C36 | N15 | sing | 1.35Å | 1.33Å | |
C40 | N18 | sing | 1.33Å | 1.33Å | |
C46 | N22 | sing | 1.35Å | 1.33Å | |
C52 | N23 | sing | 1.35Å | 1.32Å | |
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 | 113.8° | 109.5° |
N1 | C1 | H3 | 108.4° | 109.5° |
N1 | C1 | H4 | 108.4° | 109.5° |
H1 | N1 | H2 | 109.4° | 111.0° |
C2 | C1 | H3 | 108.3° | 109.5° |
C2 | C1 | H4 | 108.4° | 109.5° |
C1 | C2 | O1 | 120.4° | 120.0° |
C1 | C2 | N2 | 116.0° | 120.0° |
H3 | C1 | H4 | 109.5° | 109.5° |
O1 | C2 | N2 | 123.5° | 120.0° |
O2 | C7 | C3 | 120.9° | 119.1° |
O2 | C7 | N3 | 121.7° | 120.3° |
C7 | C3 | N2 | 96.7° | 107.7° |
C7 | C3 | C4 | 106.9° | 108.1° |
C7 | C3 | H6 | 111.2° | 109.0° |
C3 | C7 | N3 | 117.4° | 120.6° |
N2 | C3 | C4 | 121.6° | 112.3° |
C3 | N2 | H5 | 118.7° | 120.0° |
N2 | C3 | H6 | 110.0° | 109.5° |
C3 | N2 | C2 | 122.7° | 120.0° |
C3 | C4 | C5 | 120.1° | 114.7° |
C4 | C3 | H6 | 109.7° | 110.2° |
C3 | C4 | H7 | 106.8° | 109.1° |
C3 | C4 | H8 | 106.8° | 108.2° |
C4 | C5 | S2 | 116.0° | 111.8° |
C4 | C5 | C6 | 114.5° | 111.8° |
C5 | C4 | H7 | 106.8° | 109.2° |
C5 | C4 | H8 | 106.8° | 108.5° |
C4 | C5 | H9 | 109.6° | 106.6° |
S2 | C5 | C6 | 99.1° | 112.0° |
S2 | C5 | H9 | 107.5° | 107.5° |
C5 | S2 | S3 | 105.0° | 104.6° |
C5 | C6 | S1 | 115.2° | 109.8° |
C6 | C5 | H9 | 109.5° | 106.8° |
C5 | C6 | H10 | 108.0° | 110.9° |
C5 | C6 | H11 | 108.0° | 108.9° |
S1 | C6 | H10 | 108.0° | 109.5° |
S1 | C6 | H11 | 108.0° | 108.0° |
C6 | S1 | S4 | 95.3° | 102.7° |
H5 | N2 | C2 | 118.6° | 120.0° |
H7 | C4 | H8 | 109.5° | 106.8° |
H10 | C6 | H11 | 109.4° | 109.6° |
C8 | N3 | H12 | 119.2° | 120.2° |
N3 | C8 | C9 | 109.2° | 110.3° |
N3 | C8 | C10 | 111.3° | 109.6° |
N3 | C8 | H13 | 108.8° | 109.4° |
C8 | N3 | C7 | 121.7° | 119.7° |
H12 | N3 | C7 | 119.1° | 120.1° |
C9 | C8 | C10 | 111.3° | 109.4° |
C9 | C8 | H13 | 108.2° | 109.0° |
C8 | C9 | O3 | 120.9° | 119.3° |
C8 | C9 | N4 | 116.0° | 121.0° |
C10 | C8 | H13 | 108.1° | 109.1° |
C8 | C10 | H14 | 109.5° | 109.5° |
C8 | C10 | H15 | 109.5° | 109.5° |
C8 | C10 | H16 | 109.5° | 109.5° |
O3 | C9 | N4 | 123.2° | 119.7° |
H14 | C10 | H15 | 109.4° | 109.4° |
H14 | C10 | H16 | 109.5° | 109.5° |
H15 | C10 | H16 | 109.5° | 109.5° |
C11 | N4 | H17 | 118.5° | 119.7° |
N4 | C11 | C12 | 113.0° | 109.4° |
N4 | C11 | C13 | 110.1° | 109.0° |
N4 | C11 | H18 | 108.3° | 109.6° |
C11 | N4 | C9 | 123.1° | 120.3° |
H17 | N4 | C9 | 118.4° | 120.0° |
C12 | C11 | C13 | 110.3° | 109.7° |
C12 | C11 | H18 | 107.5° | 109.7° |
C11 | C12 | O4 | 119.6° | 119.3° |
C11 | C12 | N5 | 117.3° | 121.1° |
C13 | C11 | H18 | 107.5° | 109.5° |
C11 | C13 | C14 | 115.3° | 109.5° |
C11 | C13 | H19 | 108.0° | 109.5° |
C11 | C13 | H20 | 108.0° | 109.4° |
O4 | C12 | N5 | 123.1° | 119.7° |
C14 | C13 | H19 | 108.0° | 109.5° |
C14 | C13 | H20 | 108.0° | 109.5° |
C13 | C14 | C15 | 111.9° | 109.5° |
C13 | C14 | C16 | 111.1° | 109.5° |
C13 | C14 | H21 | 107.7° | 109.4° |
H19 | C13 | H20 | 109.5° | 109.4° |
C15 | C14 | C16 | 110.1° | 109.5° |
C15 | C14 | H21 | 108.0° | 109.5° |
C14 | C15 | H22 | 109.5° | 109.5° |
C14 | C15 | H23 | 109.5° | 109.5° |
C14 | C15 | H24 | 109.4° | 109.4° |
C16 | C14 | H21 | 107.9° | 109.5° |
C14 | C16 | H25 | 109.5° | 109.5° |
C14 | C16 | H26 | 109.5° | 109.5° |
C14 | C16 | H27 | 109.4° | 109.5° |
H22 | C15 | H23 | 109.4° | 109.5° |
H22 | C15 | H24 | 109.5° | 109.5° |
H23 | C15 | H24 | 109.5° | 109.5° |
H25 | C16 | H26 | 109.5° | 109.5° |
H25 | C16 | H27 | 109.5° | 109.4° |
H26 | C16 | H27 | 109.5° | 109.5° |
C17 | N5 | H28 | 119.1° | 119.4° |
N5 | C17 | C18 | 115.0° | 110.3° |
N5 | C17 | H29 | 108.1° | 109.3° |
N5 | C17 | H30 | 108.1° | 109.3° |
C17 | N5 | C12 | 121.7° | 119.7° |
H28 | N5 | C12 | 119.2° | 120.9° |
C18 | C17 | H29 | 108.1° | 109.4° |
C18 | C17 | H30 | 108.1° | 109.5° |
C17 | C18 | O5 | 122.1° | 119.4° |
C17 | C18 | N6 | 115.2° | 120.4° |
H29 | C17 | H30 | 109.4° | 109.0° |
O5 | C18 | N6 | 122.8° | 120.2° |
C19 | N6 | H31 | 119.3° | 120.2° |
N6 | C19 | C20 | 108.8° | 110.7° |
N6 | C19 | C21 | 110.4° | 110.4° |
N6 | C19 | H32 | 109.1° | 106.8° |
C19 | N6 | C18 | 121.3° | 119.6° |
H31 | N6 | C18 | 119.4° | 120.2° |
C20 | C19 | C21 | 112.1° | 113.7° |
C20 | C19 | H32 | 108.0° | 107.6° |
C19 | C20 | O6 | 121.3° | 116.1° |
C19 | C20 | N10 | 115.8° | 128.2° |
C21 | C19 | H32 | 108.3° | 107.4° |
C19 | C21 | C22 | 114.3° | 109.5° |
C19 | C21 | H33 | 108.3° | 109.5° |
C19 | C21 | H34 | 108.3° | 109.5° |
O6 | C20 | N10 | 122.8° | 115.7° |
C22 | C21 | H33 | 108.2° | 109.5° |
C22 | C21 | H34 | 108.2° | 109.5° |
C21 | C22 | C23 | 111.2° | 109.5° |
C21 | C22 | H35 | 109.0° | 109.5° |
C21 | C22 | H36 | 109.0° | 109.4° |
H33 | C21 | H34 | 109.4° | 109.4° |
C23 | C22 | H35 | 109.0° | 109.5° |
C23 | C22 | H36 | 109.0° | 109.5° |
C22 | C23 | N7 | 114.1° | 109.5° |
C22 | C23 | H37 | 108.3° | 109.5° |
C22 | C23 | H38 | 108.3° | 109.5° |
H35 | C22 | H36 | 109.5° | 109.4° |
N7 | C23 | H37 | 108.3° | 109.5° |
N7 | C23 | H38 | 108.3° | 109.5° |
C23 | N7 | C24 | 124.5° | 120.0° |
C23 | N7 | H39 | 117.7° | 120.0° |
H37 | C23 | H38 | 109.5° | 109.4° |
C24 | N7 | H39 | 117.7° | 120.0° |
N7 | C24 | N8 | 120.5° | 120.0° |
N7 | C24 | N9 | 120.7° | 120.0° |
N8 | C24 | N9 | 118.8° | 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° | 120.0° |
H40 | N8 | H41 | 120.0° | 120.0° |
H42 | N9 | H43 | 120.0° | 120.0° |
C25 | N10 | H44 | 119.0° | 117.0° |
N10 | C25 | C26 | 112.2° | 111.1° |
N10 | C25 | H45 | 108.8° | 109.9° |
N10 | C25 | H46 | 108.8° | 110.3° |
C25 | N10 | C20 | 121.9° | 126.8° |
H44 | N10 | C20 | 119.0° | 116.3° |
C26 | C25 | H45 | 108.8° | 106.6° |
C26 | C25 | H46 | 108.8° | 109.2° |
C25 | C26 | O7 | 120.1° | 119.5° |
C25 | C26 | N11 | 115.9° | 120.7° |
H45 | C25 | H46 | 109.5° | 109.6° |
O7 | C26 | N11 | 123.9° | 119.8° |
C27 | N11 | H47 | 117.9° | 121.4° |
N11 | C27 | C28 | 114.7° | 110.4° |
N11 | C27 | C29 | 109.9° | 112.5° |
N11 | C27 | H48 | 109.0° | 108.4° |
C27 | N11 | C26 | 124.3° | 119.7° |
H47 | N11 | C26 | 117.8° | 118.9° |
C28 | C27 | C29 | 106.7° | 109.3° |
C28 | C27 | H48 | 108.3° | 107.6° |
C27 | C28 | O8 | 119.7° | 119.6° |
C27 | C28 | N12 | 117.9° | 120.0° |
C29 | C27 | H48 | 108.1° | 108.4° |
C27 | C29 | S3 | 114.9° | 111.6° |
C27 | C29 | H49 | 108.1° | 109.5° |
C27 | C29 | H50 | 108.1° | 108.9° |
O8 | C28 | N12 | 122.4° | 120.4° |
S3 | C29 | H49 | 108.1° | 109.5° |
S3 | C29 | H50 | 108.1° | 109.1° |
C29 | S3 | S2 | 105.0° | 103.2° |
H49 | C29 | H50 | 109.5° | 108.2° |
C30 | N12 | H51 | 119.8° | 119.3° |
N12 | C30 | C31 | 110.5° | 109.9° |
N12 | C30 | C32 | 110.5° | 109.1° |
N12 | C30 | H52 | 109.2° | 108.9° |
C30 | N12 | C28 | 120.4° | 121.2° |
H51 | N12 | C28 | 119.8° | 119.5° |
C31 | C30 | C32 | 109.9° | 111.6° |
C31 | C30 | H52 | 108.3° | 108.7° |
C30 | C31 | O9 | 120.2° | 118.4° |
C30 | C31 | N13 | 117.0° | 123.7° |
C32 | C30 | H52 | 108.4° | 108.7° |
C30 | C32 | C33 | 113.9° | 109.4° |
C30 | C32 | H53 | 108.3° | 109.5° |
C30 | C32 | H54 | 108.4° | 109.5° |
O9 | C31 | N13 | 122.8° | 117.9° |
C33 | C32 | H53 | 108.4° | 109.4° |
C33 | C32 | H54 | 108.4° | 109.5° |
C32 | C33 | C34 | 113.7° | 109.5° |
C32 | C33 | H55 | 108.4° | 109.5° |
C32 | C33 | H56 | 108.4° | 109.5° |
H53 | C32 | H54 | 109.5° | 109.5° |
C34 | C33 | H55 | 108.4° | 109.5° |
C34 | C33 | H56 | 108.4° | 109.5° |
C33 | C34 | O10 | 119.7° | 120.0° |
C33 | C34 | O11 | 116.7° | 120.0° |
H55 | C33 | H56 | 109.5° | 109.4° |
O10 | C34 | O11 | 123.6° | 120.0° |
C34 | O11 | H57 | 109.5° | 117.0° |
C35 | N13 | H58 | 119.0° | 117.8° |
N13 | C35 | C36 | 111.1° | 109.2° |
N13 | C35 | C37 | 109.4° | 109.3° |
N13 | C35 | H59 | 109.1° | 109.4° |
C35 | N13 | C31 | 121.9° | 119.2° |
H58 | N13 | C31 | 119.1° | 123.0° |
C36 | C35 | C37 | 110.7° | 109.6° |
C36 | C35 | H59 | 108.3° | 109.6° |
C35 | C36 | O12 | 121.2° | 120.0° |
C35 | C36 | N15 | 115.7° | 119.6° |
C37 | C35 | H59 | 108.2° | 109.7° |
C35 | C37 | C38 | 113.5° | 109.5° |
C35 | C37 | H60 | 108.5° | 109.5° |
C35 | C37 | H61 | 108.5° | 109.4° |
O12 | C36 | N15 | 123.0° | 120.5° |
C38 | C37 | H60 | 108.4° | 109.5° |
C38 | C37 | H61 | 108.5° | 109.5° |
C37 | C38 | O13 | 120.5° | 120.0° |
C37 | C38 | N14 | 116.9° | 120.0° |
H60 | C37 | H61 | 109.4° | 109.4° |
O13 | C38 | N14 | 122.5° | 120.0° |
C38 | N14 | H62 | 120.0° | 120.0° |
C38 | N14 | H63 | 120.0° | 120.0° |
H62 | N14 | H63 | 120.0° | 120.0° |
C39 | N15 | H64 | 119.0° | 119.5° |
N15 | C39 | C40 | 110.9° | 108.7° |
N15 | C39 | C41 | 111.0° | 107.4° |
N15 | C39 | H65 | 108.6° | 108.9° |
C39 | N15 | C36 | 122.1° | 120.6° |
H64 | N15 | C36 | 119.0° | 119.9° |
C40 | C39 | C41 | 110.8° | 110.4° |
C40 | C39 | H65 | 107.7° | 111.1° |
C39 | C40 | O14 | 121.3° | 116.6° |
C39 | C40 | N18 | 115.0° | 127.2° |
C41 | C39 | H65 | 107.7° | 110.2° |
C39 | C41 | C42 | 113.6° | 109.5° |
C39 | C41 | H66 | 108.4° | 109.5° |
C39 | C41 | H67 | 108.4° | 109.5° |
O14 | C40 | N18 | 123.7° | 116.2° |
C42 | C41 | H66 | 108.4° | 109.5° |
C42 | C41 | H67 | 108.4° | 109.5° |
C41 | C42 | N16 | 122.7° | 126.0° |
C41 | C42 | C43 | 131.2° | 126.0° |
H66 | C41 | H67 | 109.5° | 109.4° |
N16 | C42 | C43 | 106.1° | 108.0° |
C42 | N16 | C44 | 109.3° | 109.3° |
C42 | N16 | H68 | 125.3° | 125.3° |
C42 | C43 | N17 | 107.3° | 106.8° |
C42 | C43 | H69 | 126.4° | 126.7° |
C44 | N16 | H68 | 125.4° | 125.3° |
N16 | C44 | N17 | 108.5° | 108.6° |
N16 | C44 | H70 | 125.8° | 125.7° |
N17 | C43 | H69 | 126.3° | 126.6° |
C43 | N17 | C44 | 108.8° | 107.3° |
C43 | N17 | H71 | 125.6° | 126.3° |
N17 | C44 | H70 | 125.7° | 125.7° |
C44 | N17 | H71 | 125.6° | 126.4° |
C45 | N18 | H72 | 118.9° | 115.0° |
N18 | C45 | C46 | 105.9° | 111.2° |
N18 | C45 | C47 | 110.7° | 113.2° |
N18 | C45 | H73 | 110.6° | 107.5° |
C45 | N18 | C40 | 122.1° | 130.4° |
H72 | N18 | C40 | 119.0° | 114.6° |
C46 | C45 | C47 | 110.2° | 110.9° |
C46 | C45 | H73 | 109.7° | 106.6° |
C45 | C46 | O15 | 120.2° | 119.2° |
C45 | C46 | N22 | 117.3° | 120.0° |
C47 | C45 | H73 | 109.6° | 107.0° |
C45 | C47 | C48 | 113.8° | 109.5° |
C45 | C47 | H74 | 108.4° | 109.5° |
C45 | C47 | H75 | 108.4° | 109.5° |
O15 | C46 | N22 | 122.4° | 120.8° |
C48 | C47 | H74 | 108.4° | 109.5° |
C48 | C47 | H75 | 108.4° | 109.4° |
C47 | C48 | C49 | 112.2° | 109.5° |
C47 | C48 | H76 | 108.8° | 109.4° |
C47 | C48 | H77 | 108.8° | 109.4° |
H74 | C47 | H75 | 109.5° | 109.4° |
C49 | C48 | H76 | 108.8° | 109.6° |
C49 | C48 | H77 | 108.8° | 109.5° |
C48 | C49 | N19 | 111.7° | 109.4° |
C48 | C49 | H78 | 108.9° | 109.5° |
C48 | C49 | H79 | 108.9° | 109.4° |
H76 | C48 | H77 | 109.5° | 109.5° |
N19 | C49 | H78 | 108.9° | 109.5° |
N19 | C49 | H79 | 108.9° | 109.4° |
C49 | N19 | C50 | 125.1° | 120.0° |
C49 | N19 | H80 | 117.5° | 120.0° |
H78 | C49 | H79 | 109.4° | 109.5° |
C50 | N19 | H80 | 117.5° | 120.0° |
N19 | C50 | N20 | 121.6° | 120.0° |
N19 | C50 | N21 | 119.0° | 120.0° |
N20 | C50 | N21 | 119.4° | 120.0° |
C50 | N20 | H81 | 120.0° | 120.0° |
C50 | N20 | H82 | 120.0° | 119.9° |
C50 | N21 | H83 | 120.0° | 120.0° |
C50 | N21 | H84 | 120.0° | 120.0° |
H81 | N20 | H82 | 120.0° | 120.1° |
H83 | N21 | H84 | 120.0° | 120.0° |
C51 | N22 | H85 | 120.2° | 118.4° |
N22 | C51 | C52 | 112.1° | 110.6° |
N22 | C51 | C53 | 110.2° | 110.6° |
N22 | C51 | H86 | 108.2° | 108.6° |
C51 | N22 | C46 | 119.7° | 122.4° |
H85 | N22 | C46 | 120.1° | 119.1° |
C52 | C51 | C53 | 111.1° | 110.1° |
C52 | C51 | H86 | 107.5° | 108.4° |
C51 | C52 | O16 | 121.7° | 120.0° |
C51 | C52 | N23 | 114.2° | 120.0° |
C53 | C51 | H86 | 107.5° | 108.5° |
C51 | C53 | S4 | 113.1° | 109.7° |
C51 | C53 | H87 | 108.5° | 109.5° |
C51 | C53 | H88 | 108.6° | 109.9° |
O16 | C52 | N23 | 124.1° | 120.0° |
S4 | C53 | H87 | 108.6° | 109.3° |
S4 | C53 | H88 | 108.6° | 109.2° |
C53 | S4 | S1 | 104.9° | 102.9° |
H87 | C53 | H88 | 109.5° | 109.3° |
C54 | N23 | H89 | 118.7° | 120.0° |
N23 | C54 | C55 | 106.8° | 109.5° |
N23 | C54 | C56 | 110.7° | 109.5° |
N23 | C54 | H90 | 110.3° | 109.5° |
C54 | N23 | C52 | 122.7° | 120.0° |
H89 | N23 | C52 | 118.6° | 120.0° |
C55 | C54 | C56 | 110.7° | 109.5° |
C55 | C54 | H90 | 109.3° | 109.5° |
C54 | C55 | O17 | 121.1° | 120.0° |
C54 | C55 | N24 | 115.7° | 120.0° |
C56 | C54 | H90 | 109.1° | 109.5° |
C54 | C56 | C57 | 120.9° | 109.5° |
C54 | C56 | H91 | 106.6° | 109.5° |
C54 | C56 | H92 | 106.6° | 109.5° |
O17 | C55 | N24 | 123.2° | 120.0° |
C57 | C56 | H91 | 106.5° | 109.5° |
C57 | C56 | H92 | 106.5° | 109.5° |
C56 | C57 | C58 | 111.2° | 109.5° |
C56 | C57 | C59 | 113.9° | 109.5° |
C56 | C57 | H93 | 106.6° | 109.5° |
H91 | C56 | H92 | 109.5° | 109.4° |
C58 | C57 | C59 | 111.1° | 109.5° |
C58 | C57 | H93 | 106.8° | 109.5° |
C57 | C58 | H94 | 109.5° | 109.5° |
C57 | C58 | H95 | 109.5° | 109.5° |
C57 | C58 | H96 | 109.5° | 109.5° |
C59 | C57 | H93 | 106.7° | 109.4° |
C57 | C59 | H97 | 109.5° | 109.4° |
C57 | C59 | H98 | 109.5° | 109.5° |
C57 | C59 | H99 | 109.5° | 109.5° |
H94 | C58 | H95 | 109.4° | 109.5° |
H94 | C58 | H96 | 109.5° | 109.5° |
H95 | C58 | H96 | 109.5° | 109.5° |
H97 | C59 | H98 | 109.5° | 109.5° |
H97 | C59 | H99 | 109.5° | 109.5° |
H98 | C59 | H99 | 109.5° | 109.5° |
H100 | N24 | H101 | 120.0° | 119.9° |
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 | 120.6° | 120.0° |
N1 | C1 | C2 | H4 | 120.6° | 120.0° |
N1 | C1 | H3 | H4 | 118.0° | 120.0° |
N1 | C1 | C2 | O1 | 12.2° | 0.0° |
N1 | C1 | C2 | N2 | 170.9° | 180.0° |
H1 | N1 | C1 | C2 | 180.0° | 56.0° |
H1 | N1 | C1 | H3 | 59.4° | 176.1° |
H1 | N1 | C1 | H4 | 59.3° | 63.9° |
H2 | N1 | C1 | C2 | 60.0° | 180.0° |
H2 | N1 | C1 | H3 | 60.6° | 60.0° |
H2 | N1 | C1 | H4 | 179.3° | 60.0° |
C2 | C1 | H3 | H4 | 118.0° | 120.0° |
C1 | C2 | O1 | N2 | 176.7° | 180.0° |
C1 | C2 | N2 | C3 | 173.0° | 180.0° |
C1 | C2 | N2 | H5 | 7.0° | 0.0° |
H3 | C1 | C2 | O1 | 108.5° | 120.0° |
H3 | C1 | C2 | N2 | 68.5° | 60.0° |
H4 | C1 | C2 | O1 | 132.8° | 120.0° |
H4 | C1 | C2 | N2 | 50.2° | 60.0° |
O1 | C2 | N2 | C3 | 10.1° | 0.0° |
O1 | C2 | N2 | H5 | 169.9° | 180.0° |
O2 | C7 | C3 | N3 | 178.8° | 180.0° |
O2 | C7 | C3 | N2 | 31.2° | 95.2° |
O2 | C7 | C3 | C4 | 94.6° | 26.3° |
O2 | C7 | C3 | H6 | 145.7° | 146.1° |
O2 | C7 | N3 | C8 | 10.8° | 4.9° |
O2 | C7 | N3 | H12 | 169.1° | 174.4° |
C7 | C3 | N2 | C4 | 114.5° | 118.9° |
C7 | C3 | N2 | H6 | 115.4° | 118.4° |
C7 | C3 | C4 | H6 | 120.6° | 119.0° |
C7 | C3 | C4 | C5 | 111.2° | 169.1° |
C7 | C3 | N2 | H5 | 59.6° | 90.6° |
C7 | C3 | C4 | H7 | 10.3° | 46.3° |
C7 | C3 | C4 | H8 | 127.3° | 69.6° |
C3 | C7 | N3 | C8 | 170.4° | 175.1° |
C3 | C7 | N3 | H12 | 9.7° | 5.6° |
C7 | C3 | N2 | C2 | 120.4° | 89.3° |
N2 | C3 | C4 | H6 | 130.2° | 122.4° |
N2 | C3 | C4 | C5 | 2.0° | 50.5° |
C3 | N2 | H5 | C2 | 180.0° | 180.0° |
N2 | C3 | C4 | H7 | 119.5° | 72.3° |
N2 | C3 | C4 | H8 | 123.5° | 171.8° |
N2 | C3 | C7 | N3 | 147.6° | 84.8° |
C3 | C4 | C5 | H7 | 121.5° | 122.8° |
C3 | C4 | C5 | H8 | 121.5° | 121.1° |
C3 | C4 | C5 | S2 | 153.9° | 62.0° |
C3 | C4 | C5 | C6 | 91.6° | 64.5° |
C4 | C3 | N2 | H5 | 54.9° | 28.2° |
C3 | C4 | H7 | H8 | 115.2° | 116.8° |
C3 | C4 | C5 | H9 | 32.0° | 179.2° |
C4 | C3 | N2 | C2 | 125.1° | 151.8° |
C4 | C3 | C7 | N3 | 86.6° | 153.7° |
C4 | C5 | S2 | C6 | 123.1° | 126.4° |
C4 | C5 | S2 | H9 | 123.0° | 116.6° |
C4 | C5 | C6 | H9 | 123.6° | 116.2° |
C4 | C5 | C6 | S1 | 28.7° | 139.2° |
C5 | C4 | C3 | H6 | 128.2° | 71.9° |
C5 | C4 | H7 | H8 | 115.2° | 117.2° |
C4 | C5 | C6 | H10 | 149.6° | 99.6° |
C4 | C5 | C6 | H11 | 92.1° | 21.1° |
C4 | C5 | S2 | S3 | 49.9° | 81.7° |
S2 | C5 | C6 | H9 | 112.3° | 117.4° |
S2 | C5 | C6 | S1 | 152.9° | 94.4° |
S2 | C5 | C4 | H7 | 32.4° | 175.3° |
S2 | C5 | C4 | H8 | 84.6° | 59.2° |
S2 | C5 | C6 | H10 | 86.3° | 26.8° |
S2 | C5 | C6 | H11 | 32.0° | 147.5° |
C5 | S2 | S3 | C29 | 55.2° | 124.8° |
C5 | C6 | S1 | H10 | 120.9° | 122.0° |
C5 | C6 | S1 | H11 | 120.8° | 118.6° |
C6 | C5 | C4 | H7 | 146.9° | 58.3° |
C6 | C5 | C4 | H8 | 29.9° | 174.4° |
C5 | C6 | H10 | H11 | 117.4° | 120.3° |
C5 | C6 | S1 | S4 | 100.5° | 149.3° |
C6 | C5 | S2 | S3 | 172.9° | 44.7° |
S1 | C6 | C5 | H9 | 94.8° | 23.0° |
S1 | C6 | H10 | H11 | 117.4° | 118.3° |
C6 | S1 | S4 | C53 | 174.7° | 104.0° |
H5 | N2 | C3 | H6 | 175.0° | 151.0° |
H6 | C3 | C4 | H7 | 110.3° | 165.3° |
H6 | C3 | C4 | H8 | 6.7° | 49.5° |
H6 | C3 | N2 | C2 | 4.9° | 29.1° |
H6 | C3 | C7 | N3 | 33.1° | 33.9° |
H7 | C4 | C5 | H9 | 89.6° | 58.1° |
H8 | C4 | C5 | H9 | 153.4° | 58.0° |
H9 | C5 | C6 | H10 | 26.0° | 144.2° |
H9 | C5 | C6 | H11 | 144.3° | 95.1° |
H9 | C5 | S2 | S3 | 73.2° | 161.7° |
H10 | C6 | S1 | S4 | 20.3° | 88.7° |
H11 | C6 | S1 | S4 | 138.6° | 30.6° |
C8 | N3 | H12 | C7 | 180.0° | 179.4° |
N3 | C8 | C9 | C10 | 123.2° | 120.6° |
N3 | C8 | C9 | H13 | 118.2° | 120.1° |
N3 | C8 | C10 | H13 | 119.4° | 119.7° |
N3 | C8 | C9 | O3 | 149.0° | 142.9° |
N3 | C8 | C10 | H14 | 180.0° | 60.0° |
N3 | C8 | C10 | H15 | 60.0° | 179.9° |
N3 | C8 | C10 | H16 | 60.0° | 60.0° |
N3 | C8 | C9 | N4 | 32.9° | 37.1° |
H12 | N3 | C8 | C9 | 62.8° | 48.1° |
H12 | N3 | C8 | C10 | 60.4° | 72.4° |
H12 | N3 | C8 | H13 | 179.4° | 168.0° |
C9 | C8 | C10 | H13 | 118.7° | 119.2° |
C8 | C9 | O3 | N4 | 178.0° | 179.9° |
C9 | C8 | C10 | H14 | 58.1° | 61.0° |
C9 | C8 | C10 | H15 | 178.1° | 58.9° |
C9 | C8 | C10 | H16 | 62.0° | 178.9° |
C8 | C9 | N4 | C11 | 167.9° | 177.2° |
C8 | C9 | N4 | H17 | 12.1° | 2.6° |
C9 | C8 | N3 | C7 | 117.3° | 132.5° |
C10 | C8 | C9 | O3 | 25.8° | 96.5° |
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 | 119.6° | 106.9° |
C10 | C8 | C9 | N4 | 156.1° | 83.6° |
H13 | C8 | C9 | O3 | 92.8° | 22.8° |
H13 | C8 | C10 | H14 | 60.6° | 179.7° |
H13 | C8 | C10 | H15 | 59.4° | 60.3° |
H13 | C8 | C10 | H16 | 179.4° | 59.7° |
H13 | C8 | N3 | C7 | 0.6° | 12.7° |
H13 | C8 | C9 | N4 | 85.3° | 157.1° |
O3 | C9 | N4 | C11 | 14.1° | 2.7° |
O3 | C9 | N4 | H17 | 165.9° | 177.5° |
H14 | C10 | H15 | H16 | 120.0° | 120.0° |
C11 | N4 | H17 | C9 | 180.0° | 179.8° |
N4 | C11 | C12 | C13 | 123.7° | 119.5° |
N4 | C11 | C12 | H18 | 119.4° | 120.2° |
N4 | C11 | C13 | H18 | 117.7° | 119.8° |
N4 | C11 | C12 | O4 | 156.9° | 7.5° |
N4 | C11 | C13 | C14 | 53.6° | 63.3° |
N4 | C11 | C13 | H19 | 67.2° | 56.7° |
N4 | C11 | C13 | H20 | 174.5° | 176.7° |
N4 | C11 | C12 | N5 | 22.4° | 173.3° |
H17 | N4 | C11 | C12 | 92.8° | 75.7° |
H17 | N4 | C11 | C13 | 31.0° | 44.2° |
H17 | N4 | C11 | H18 | 148.2° | 164.0° |
C12 | C11 | C13 | H18 | 117.0° | 120.4° |
C11 | C12 | O4 | N5 | 179.2° | 179.2° |
C12 | C11 | C13 | C14 | 178.9° | 176.9° |
C12 | C11 | C13 | H19 | 58.1° | 63.0° |
C12 | C11 | C13 | H20 | 60.2° | 56.9° |
C11 | C12 | N5 | C17 | 176.5° | 176.8° |
C11 | C12 | N5 | H28 | 3.5° | 2.9° |
C12 | C11 | N4 | C9 | 87.2° | 104.1° |
C13 | C11 | C12 | O4 | 79.5° | 126.9° |
C11 | C13 | C14 | H19 | 120.8° | 120.1° |
C11 | C13 | C14 | H20 | 120.9° | 120.0° |
C11 | C13 | H19 | H20 | 117.4° | 120.0° |
C11 | C13 | C14 | C15 | 177.7° | 174.3° |
C11 | C13 | C14 | C16 | 58.7° | 65.7° |
C11 | C13 | C14 | H21 | 59.2° | 54.4° |
C13 | C11 | N4 | C9 | 149.0° | 136.0° |
C13 | C11 | C12 | N5 | 101.2° | 53.9° |
H18 | C11 | C12 | O4 | 37.4° | 112.8° |
H18 | C11 | C13 | C14 | 64.1° | 56.5° |
H18 | C11 | C13 | H19 | 175.1° | 176.6° |
H18 | C11 | C13 | H20 | 56.8° | 63.5° |
H18 | C11 | N4 | C9 | 31.8° | 16.2° |
H18 | C11 | C12 | N5 | 141.8° | 66.4° |
O4 | C12 | N5 | C17 | 2.8° | 2.4° |
O4 | C12 | N5 | H28 | 177.2° | 177.9° |
C14 | C13 | H19 | H20 | 117.4° | 120.0° |
C13 | C14 | C15 | C16 | 124.1° | 120.0° |
C13 | C14 | C15 | H21 | 118.4° | 119.9° |
C13 | C14 | C16 | H21 | 117.9° | 120.0° |
C13 | C14 | C15 | H22 | 180.0° | 175.0° |
C13 | C14 | C15 | H23 | 60.0° | 64.9° |
C13 | C14 | C15 | H24 | 60.0° | 55.1° |
C13 | C14 | C16 | H25 | 180.0° | 60.0° |
C13 | C14 | C16 | H26 | 60.0° | 179.9° |
C13 | C14 | C16 | H27 | 60.0° | 60.0° |
H19 | C13 | C14 | C15 | 56.9° | 54.3° |
H19 | C13 | C14 | C16 | 179.6° | 174.3° |
H19 | C13 | C14 | H21 | 61.6° | 65.7° |
H20 | C13 | C14 | C15 | 61.4° | 65.7° |
H20 | C13 | C14 | C16 | 62.1° | 54.3° |
H20 | C13 | C14 | H21 | 179.9° | 174.3° |
C15 | C14 | C16 | H21 | 117.6° | 120.0° |
C14 | C15 | H22 | H23 | 120.0° | 120.1° |
C14 | C15 | H22 | H24 | 120.0° | 119.9° |
C14 | C15 | H23 | H24 | 120.0° | 120.0° |
C15 | C14 | C16 | H25 | 55.4° | 180.0° |
C15 | C14 | C16 | H26 | 64.5° | 60.0° |
C15 | C14 | C16 | H27 | 175.5° | 60.0° |
C16 | C14 | C15 | H22 | 55.9° | 55.0° |
C16 | C14 | C15 | H23 | 175.9° | 175.0° |
C16 | C14 | C15 | H24 | 64.1° | 65.0° |
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 | 61.6° | 65.0° |
H21 | C14 | C15 | H23 | 58.4° | 55.0° |
H21 | C14 | C15 | H24 | 178.4° | 175.0° |
H21 | C14 | C16 | H25 | 62.1° | 60.0° |
H21 | C14 | C16 | H26 | 177.9° | 60.0° |
H21 | C14 | C16 | H27 | 57.9° | 179.9° |
H22 | C15 | H23 | H24 | 120.0° | 120.0° |
H25 | C16 | H26 | H27 | 120.0° | 120.0° |
C17 | N5 | H28 | C12 | 180.0° | 179.7° |
N5 | C17 | C18 | H29 | 120.8° | 120.2° |
N5 | C17 | C18 | H30 | 120.8° | 120.3° |
N5 | C17 | H29 | H30 | 117.5° | 119.4° |
N5 | C17 | C18 | O5 | 8.8° | 81.0° |
N5 | C17 | C18 | N6 | 170.5° | 99.6° |
H28 | N5 | C17 | C18 | 20.9° | 85.7° |
H28 | N5 | C17 | H29 | 99.9° | 154.0° |
H28 | N5 | C17 | H30 | 141.7° | 34.8° |
C18 | C17 | H29 | H30 | 117.5° | 119.8° |
C17 | C18 | O5 | N6 | 179.3° | 179.4° |
C17 | C18 | N6 | C19 | 173.5° | 170.4° |
C17 | C18 | N6 | H31 | 6.5° | 10.3° |
C18 | C17 | N5 | C12 | 159.1° | 94.6° |
H29 | C17 | C18 | O5 | 112.0° | 158.8° |
H29 | C17 | N5 | C12 | 80.1° | 25.7° |
H29 | C17 | C18 | N6 | 68.6° | 20.6° |
H30 | C17 | C18 | O5 | 129.6° | 39.4° |
H30 | C17 | N5 | C12 | 38.3° | 144.9° |
H30 | C17 | C18 | N6 | 49.7° | 140.1° |
O5 | C18 | N6 | C19 | 5.9° | 9.0° |
O5 | C18 | N6 | H31 | 174.1° | 170.2° |
C19 | N6 | H31 | C18 | 180.0° | 179.3° |
N6 | C19 | C20 | C21 | 122.4° | 124.9° |
N6 | C19 | C20 | H32 | 118.4° | 116.3° |
N6 | C19 | C21 | H32 | 119.4° | 116.0° |
N6 | C19 | C20 | O6 | 50.3° | 88.8° |
N6 | C19 | C21 | C22 | 63.1° | 65.0° |
N6 | C19 | C21 | H33 | 57.7° | 55.0° |
N6 | C19 | C21 | H34 | 176.2° | 174.9° |
N6 | C19 | C20 | N10 | 127.3° | 90.5° |
H31 | N6 | C19 | C20 | 122.2° | 32.1° |
H31 | N6 | C19 | C21 | 1.2° | 94.6° |
H31 | N6 | C19 | H32 | 120.1° | 149.0° |
C20 | C19 | C21 | H32 | 119.1° | 118.9° |
C19 | C20 | O6 | N10 | 177.5° | 179.5° |
C20 | C19 | C21 | C22 | 175.4° | 169.9° |
C20 | C19 | C21 | H33 | 63.9° | 70.1° |
C20 | C19 | C21 | H34 | 54.7° | 49.9° |
C19 | C20 | N10 | C25 | 173.6° | 7.3° |
C19 | C20 | N10 | H44 | 6.4° | 173.0° |
C20 | C19 | N6 | C18 | 57.7° | 148.6° |
C21 | C19 | C20 | O6 | 72.0° | 146.3° |
C19 | C21 | C22 | H33 | 120.7° | 120.0° |
C19 | C21 | C22 | H34 | 120.7° | 120.0° |
C19 | C21 | H33 | H34 | 117.8° | 120.0° |
C19 | C21 | C22 | C23 | 154.7° | 180.0° |
C19 | C21 | C22 | H35 | 85.1° | 59.9° |
C19 | C21 | C22 | H36 | 34.4° | 60.0° |
C21 | C19 | N6 | C18 | 178.8° | 84.6° |
C21 | C19 | C20 | N10 | 110.3° | 34.4° |
H32 | C19 | C20 | O6 | 168.7° | 27.5° |
H32 | C19 | C21 | C22 | 56.3° | 51.0° |
H32 | C19 | C21 | H33 | 177.0° | 171.0° |
H32 | C19 | C21 | H34 | 64.4° | 69.1° |
H32 | C19 | N6 | C18 | 60.0° | 31.8° |
H32 | C19 | C20 | N10 | 9.0° | 153.1° |
O6 | C20 | N10 | C25 | 4.0° | 173.3° |
O6 | C20 | N10 | H44 | 176.0° | 6.4° |
C22 | C21 | H33 | H34 | 117.8° | 120.0° |
C21 | C22 | C23 | H35 | 120.2° | 120.0° |
C21 | C22 | C23 | H36 | 120.3° | 120.0° |
C21 | C22 | H35 | H36 | 119.2° | 119.9° |
C21 | C22 | C23 | N7 | 78.4° | 180.0° |
C21 | C22 | C23 | H37 | 42.3° | 60.0° |
C21 | C22 | C23 | H38 | 160.9° | 60.0° |
H33 | C21 | C22 | C23 | 33.9° | 60.0° |
H33 | C21 | C22 | H35 | 154.1° | 179.9° |
H33 | C21 | C22 | H36 | 86.3° | 60.0° |
H34 | C21 | C22 | C23 | 84.6° | 60.0° |
H34 | C21 | C22 | H35 | 35.6° | 60.1° |
H34 | C21 | C22 | H36 | 155.1° | 180.0° |
C23 | C22 | H35 | H36 | 119.2° | 120.0° |
C22 | C23 | N7 | H37 | 120.7° | 120.1° |
C22 | C23 | N7 | H38 | 120.7° | 120.0° |
C22 | C23 | H37 | H38 | 117.9° | 120.0° |
C22 | C23 | N7 | C24 | 169.4° | 180.0° |
C22 | C23 | N7 | H39 | 10.6° | 0.0° |
H35 | C22 | C23 | N7 | 161.3° | 60.0° |
H35 | C22 | C23 | H37 | 78.0° | 180.0° |
H35 | C22 | C23 | H38 | 40.6° | 60.0° |
H36 | C22 | C23 | N7 | 41.8° | 60.0° |
H36 | C22 | C23 | H37 | 162.5° | 60.0° |
H36 | C22 | C23 | H38 | 78.9° | 180.0° |
N7 | C23 | H37 | H38 | 117.9° | 119.9° |
C23 | N7 | C24 | H39 | 180.0° | 180.0° |
C23 | N7 | C24 | N8 | 0.3° | 0.0° |
C23 | N7 | C24 | N9 | 179.8° | 180.0° |
H37 | C23 | N7 | C24 | 69.9° | 59.9° |
H37 | C23 | N7 | H39 | 110.1° | 120.1° |
H38 | C23 | N7 | C24 | 48.7° | 60.0° |
H38 | C23 | N7 | H39 | 131.3° | 120.0° |
N7 | C24 | N8 | N9 | 179.9° | 180.0° |
N7 | C24 | N8 | H40 | 179.9° | 0.0° |
N7 | C24 | N8 | H41 | 0.1° | 180.0° |
N7 | C24 | N9 | H42 | 179.9° | 180.0° |
N7 | C24 | N9 | H43 | 0.1° | 0.0° |
H39 | N7 | C24 | N8 | 179.7° | 180.0° |
H39 | N7 | C24 | N9 | 0.2° | 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° | 179.8° |
N10 | C25 | C26 | H45 | 120.4° | 119.7° |
N10 | C25 | C26 | H46 | 120.4° | 121.9° |
N10 | C25 | H45 | H46 | 118.7° | 121.4° |
N10 | C25 | C26 | O7 | 161.2° | 79.1° |
N10 | C25 | C26 | N11 | 16.1° | 101.6° |
H44 | N10 | C25 | C26 | 60.6° | 4.2° |
H44 | N10 | C25 | H45 | 59.8° | 121.9° |
H44 | N10 | C25 | H46 | 179.0° | 117.1° |
C26 | C25 | H45 | H46 | 118.8° | 118.1° |
C25 | C26 | O7 | N11 | 177.1° | 179.4° |
C25 | C26 | N11 | C27 | 171.9° | 172.9° |
C25 | C26 | N11 | H47 | 8.2° | 7.5° |
C26 | C25 | N10 | C20 | 119.4° | 175.6° |
H45 | C25 | C26 | O7 | 40.8° | 40.6° |
H45 | C25 | N10 | C20 | 120.2° | 57.8° |
H45 | C25 | C26 | N11 | 136.5° | 138.7° |
H46 | C25 | C26 | O7 | 78.4° | 159.0° |
H46 | C25 | N10 | C20 | 1.0° | 63.2° |
H46 | C25 | C26 | N11 | 104.3° | 20.3° |
O7 | C26 | N11 | C27 | 10.9° | 6.4° |
O7 | C26 | N11 | H47 | 169.1° | 173.2° |
C27 | N11 | H47 | C26 | 180.0° | 179.6° |
N11 | C27 | C28 | C29 | 121.9° | 124.3° |
N11 | C27 | C28 | H48 | 121.9° | 118.1° |
N11 | C27 | C29 | H48 | 118.8° | 119.8° |
N11 | C27 | C28 | O8 | 173.2° | 13.4° |
N11 | C27 | C29 | S3 | 66.3° | 2.9° |
N11 | C27 | C29 | H49 | 54.5° | 118.5° |
N11 | C27 | C29 | H50 | 172.9° | 123.3° |
N11 | C27 | C28 | N12 | 7.6° | 167.3° |
H47 | N11 | C27 | C28 | 75.7° | 110.1° |
H47 | N11 | C27 | C29 | 44.4° | 12.4° |
H47 | N11 | C27 | H48 | 162.7° | 132.2° |
C28 | C27 | C29 | H48 | 116.3° | 117.1° |
C27 | C28 | O8 | N12 | 179.2° | 179.3° |
C28 | C27 | C29 | S3 | 168.8° | 126.0° |
C28 | C27 | C29 | H49 | 70.4° | 4.7° |
C28 | C27 | C29 | H50 | 48.0° | 113.5° |
C27 | C28 | N12 | C30 | 176.2° | 173.4° |
C27 | C28 | N12 | H51 | 3.8° | 6.7° |
C28 | C27 | N11 | C26 | 104.3° | 69.5° |
C29 | C27 | C28 | O8 | 64.9° | 110.9° |
C27 | C29 | S3 | H49 | 120.8° | 121.4° |
C27 | C29 | S3 | H50 | 120.8° | 120.3° |
C27 | C29 | H49 | H50 | 117.5° | 118.6° |
C27 | C29 | S3 | S2 | 64.8° | 98.6° |
C29 | C27 | N11 | C26 | 135.6° | 168.0° |
C29 | C27 | C28 | N12 | 114.3° | 68.4° |
H48 | C27 | C28 | O8 | 51.2° | 131.5° |
H48 | C27 | C29 | S3 | 52.5° | 116.9° |
H48 | C27 | C29 | H49 | 173.3° | 121.7° |
H48 | C27 | C29 | H50 | 68.3° | 3.5° |
H48 | C27 | N11 | C26 | 17.3° | 48.2° |
H48 | C27 | C28 | N12 | 129.5° | 49.2° |
O8 | C28 | N12 | C30 | 2.9° | 7.3° |
O8 | C28 | N12 | H51 | 177.0° | 172.5° |
S3 | C29 | H49 | H50 | 117.5° | 118.8° |
H49 | C29 | S3 | S2 | 174.4° | 22.8° |
H50 | C29 | S3 | S2 | 55.9° | 141.1° |
C30 | N12 | H51 | C28 | 180.0° | 179.8° |
N12 | C30 | C31 | C32 | 122.2° | 121.1° |
N12 | C30 | C31 | H52 | 119.5° | 119.1° |
N12 | C30 | C32 | H52 | 119.6° | 118.6° |
N12 | C30 | C31 | O9 | 44.7° | 51.7° |
N12 | C30 | C32 | C33 | 63.8° | 65.0° |
N12 | C30 | C32 | H53 | 56.9° | 54.9° |
N12 | C30 | C32 | H54 | 175.6° | 175.0° |
N12 | C30 | C31 | N13 | 133.8° | 128.2° |
H51 | N12 | C30 | C31 | 121.3° | 47.0° |
H51 | N12 | C30 | C32 | 0.6° | 75.6° |
H51 | N12 | C30 | H52 | 119.8° | 166.0° |
C31 | C30 | C32 | H52 | 118.2° | 119.8° |
C30 | C31 | O9 | N13 | 178.4° | 179.8° |
C31 | C30 | C32 | C33 | 174.0° | 173.4° |
C31 | C30 | C32 | H53 | 65.3° | 66.7° |
C31 | C30 | C32 | H54 | 53.3° | 53.4° |
C30 | C31 | N13 | C35 | 168.3° | 178.5° |
C30 | C31 | N13 | H58 | 11.8° | 0.8° |
C31 | C30 | N12 | C28 | 58.7° | 132.8° |
C32 | C30 | C31 | O9 | 77.5° | 172.8° |
C30 | C32 | C33 | H53 | 120.6° | 120.0° |
C30 | C32 | C33 | H54 | 120.7° | 120.0° |
C30 | C32 | H53 | H54 | 118.0° | 120.1° |
C30 | C32 | C33 | C34 | 92.3° | 180.0° |
C30 | C32 | C33 | H55 | 147.1° | 60.0° |
C30 | C32 | C33 | H56 | 28.4° | 60.0° |
C32 | C30 | N12 | C28 | 179.4° | 104.6° |
C32 | C30 | C31 | N13 | 104.0° | 7.0° |
H52 | C30 | C31 | O9 | 164.2° | 67.4° |
H52 | C30 | C32 | C33 | 55.8° | 53.6° |
H52 | C30 | C32 | H53 | 176.5° | 173.5° |
H52 | C30 | C32 | H54 | 64.8° | 66.4° |
H52 | C30 | N12 | C28 | 60.2° | 13.9° |
H52 | C30 | C31 | N13 | 14.3° | 112.8° |
O9 | C31 | N13 | C35 | 13.3° | 1.7° |
O9 | C31 | N13 | H58 | 166.7° | 179.0° |
C33 | C32 | H53 | H54 | 118.0° | 120.0° |
C32 | C33 | C34 | H55 | 120.6° | 120.0° |
C32 | C33 | C34 | H56 | 120.6° | 120.0° |
C32 | C33 | H55 | H56 | 118.0° | 120.0° |
C32 | C33 | C34 | O10 | 16.8° | 0.0° |
C32 | C33 | C34 | O11 | 160.9° | 180.0° |
H53 | C32 | C33 | C34 | 28.4° | 60.0° |
H53 | C32 | C33 | H55 | 92.3° | 180.0° |
H53 | C32 | C33 | H56 | 149.0° | 60.0° |
H54 | C32 | C33 | C34 | 147.1° | 60.0° |
H54 | C32 | C33 | H55 | 26.4° | 60.0° |
H54 | C32 | C33 | H56 | 92.3° | 180.0° |
C34 | C33 | H55 | H56 | 118.1° | 120.0° |
C33 | C34 | O10 | O11 | 177.6° | 180.0° |
C33 | C34 | O11 | H57 | 177.6° | 180.0° |
H55 | C33 | C34 | O10 | 137.5° | 120.1° |
H55 | C33 | C34 | O11 | 40.3° | 59.9° |
H56 | C33 | C34 | O10 | 103.8° | 120.0° |
H56 | C33 | C34 | O11 | 78.5° | 60.0° |
O10 | C34 | O11 | H57 | 0.0° | 0.0° |
C35 | N13 | H58 | C31 | 180.0° | 179.3° |
N13 | C35 | C36 | C37 | 121.8° | 119.7° |
N13 | C35 | C36 | H59 | 119.8° | 119.8° |
N13 | C35 | C37 | H59 | 118.7° | 119.9° |
N13 | C35 | C36 | O12 | 134.4° | 35.2° |
N13 | C35 | C37 | C38 | 163.8° | 65.0° |
N13 | C35 | C37 | H60 | 43.2° | 55.1° |
N13 | C35 | C37 | H61 | 75.6° | 175.0° |
N13 | C35 | C36 | N15 | 43.7° | 145.3° |
H58 | N13 | C35 | C36 | 119.0° | 111.2° |
H58 | N13 | C35 | C37 | 118.4° | 8.7° |
H58 | N13 | C35 | H59 | 0.3° | 128.9° |
C36 | C35 | C37 | H59 | 118.5° | 120.4° |
C35 | C36 | O12 | N15 | 177.9° | 179.5° |
C36 | C35 | C37 | C38 | 73.5° | 175.3° |
C36 | C35 | C37 | H60 | 165.9° | 64.6° |
C36 | C35 | C37 | H61 | 47.2° | 55.3° |
C35 | C36 | N15 | C39 | 179.3° | 168.7° |
C35 | C36 | N15 | H64 | 0.7° | 10.9° |
C36 | C35 | N13 | C31 | 60.9° | 69.5° |
C37 | C35 | C36 | O12 | 12.6° | 84.5° |
C35 | C37 | C38 | H60 | 120.6° | 120.0° |
C35 | C37 | C38 | H61 | 120.6° | 120.0° |
C35 | C37 | H60 | H61 | 118.2° | 119.9° |
C35 | C37 | C38 | O13 | 40.8° | 0.0° |
C35 | C37 | C38 | N14 | 140.7° | 180.0° |
C37 | C35 | N13 | C31 | 61.6° | 170.6° |
C37 | C35 | C36 | N15 | 165.5° | 95.0° |
H59 | C35 | C36 | O12 | 105.9° | 155.0° |
H59 | C35 | C37 | C38 | 45.0° | 55.0° |
H59 | C35 | C37 | H60 | 75.5° | 175.0° |
H59 | C35 | C37 | H61 | 165.7° | 65.1° |
H59 | C35 | N13 | C31 | 179.8° | 50.4° |
H59 | C35 | C36 | N15 | 76.1° | 25.5° |
O12 | C36 | N15 | C39 | 1.3° | 11.8° |
O12 | C36 | N15 | H64 | 178.8° | 168.6° |
C38 | C37 | H60 | H61 | 118.1° | 120.0° |
C37 | C38 | O13 | N14 | 178.5° | 180.0° |
C37 | C38 | N14 | H62 | 178.5° | 0.1° |
C37 | C38 | N14 | H63 | 1.5° | 179.9° |
H60 | C37 | C38 | O13 | 79.8° | 120.0° |
H60 | C37 | C38 | N14 | 98.7° | 60.0° |
H61 | C37 | C38 | O13 | 161.4° | 120.0° |
H61 | C37 | C38 | N14 | 20.0° | 60.0° |
O13 | C38 | N14 | H62 | 0.0° | 179.9° |
O13 | C38 | N14 | H63 | 180.0° | 0.1° |
C38 | N14 | H62 | H63 | 180.0° | 179.9° |
C39 | N15 | H64 | C36 | 180.0° | 179.5° |
N15 | C39 | C40 | C41 | 123.8° | 117.6° |
N15 | C39 | C40 | H65 | 118.7° | 119.9° |
N15 | C39 | C41 | H65 | 118.7° | 118.5° |
N15 | C39 | C40 | O14 | 22.0° | 3.3° |
N15 | C39 | C41 | C42 | 94.3° | 57.0° |
N15 | C39 | C41 | H66 | 26.3° | 177.0° |
N15 | C39 | C41 | H67 | 145.0° | 63.0° |
N15 | C39 | C40 | N18 | 156.8° | 176.6° |
H64 | N15 | C39 | C40 | 73.4° | 17.0° |
H64 | N15 | C39 | C41 | 50.2° | 102.5° |
H64 | N15 | C39 | H65 | 168.4° | 138.2° |
C40 | C39 | C41 | H65 | 117.5° | 123.1° |
C39 | C40 | O14 | N18 | 178.7° | 180.0° |
C40 | C39 | C41 | C42 | 141.9° | 61.4° |
C40 | C39 | C41 | H66 | 97.5° | 58.6° |
C40 | C39 | C41 | H67 | 21.3° | 178.6° |
C39 | C40 | N18 | C45 | 176.6° | 6.5° |
C39 | C40 | N18 | H72 | 3.4° | 172.9° |
C40 | C39 | N15 | C36 | 106.6° | 163.5° |
C41 | C39 | C40 | O14 | 101.8° | 120.9° |
C39 | C41 | C42 | H66 | 120.6° | 120.0° |
C39 | C41 | C42 | H67 | 120.6° | 120.0° |
C39 | C41 | H66 | H67 | 118.1° | 120.0° |
C39 | C41 | C42 | N16 | 63.8° | 125.0° |
C39 | C41 | C42 | C43 | 114.6° | 55.3° |
C41 | C39 | N15 | C36 | 129.8° | 77.1° |
C41 | C39 | C40 | N18 | 79.5° | 59.0° |
H65 | C39 | C40 | O14 | 140.7° | 116.5° |
H65 | C39 | C41 | C42 | 24.4° | 175.6° |
H65 | C39 | C41 | H66 | 145.0° | 64.4° |
H65 | C39 | C41 | H67 | 96.2° | 55.5° |
H65 | C39 | N15 | C36 | 11.6° | 42.3° |
H65 | C39 | C40 | N18 | 38.1° | 63.5° |
O14 | C40 | N18 | C45 | 4.7° | 173.5° |
O14 | C40 | N18 | H72 | 175.3° | 7.0° |
C42 | C41 | H66 | H67 | 118.1° | 120.0° |
C41 | C42 | N16 | C43 | 178.8° | 179.7° |
C41 | C42 | N16 | C44 | 179.2° | 180.0° |
C41 | C42 | N16 | H68 | 0.8° | 0.0° |
C41 | C42 | C43 | N17 | 179.3° | 180.0° |
C41 | C42 | C43 | H69 | 0.7° | 0.0° |
H66 | C41 | C42 | N16 | 56.8° | 5.0° |
H66 | C41 | C42 | C43 | 124.8° | 175.3° |
H67 | C41 | C42 | N16 | 175.5° | 115.0° |
H67 | C41 | C42 | C43 | 6.0° | 64.7° |
C42 | N16 | C44 | H68 | 180.0° | 180.0° |
N16 | C42 | C43 | N17 | 0.6° | 0.2° |
N16 | C42 | C43 | H69 | 179.3° | 179.7° |
C42 | N16 | C44 | N17 | 0.1° | 0.1° |
C42 | N16 | C44 | H70 | 179.9° | 180.0° |
C43 | C42 | N16 | C44 | 0.4° | 0.2° |
C43 | C42 | N16 | H68 | 179.6° | 179.8° |
C42 | C43 | N17 | H69 | 180.0° | 179.9° |
C42 | C43 | N17 | C44 | 0.7° | 0.1° |
C42 | C43 | N17 | H71 | 179.3° | 180.0° |
N16 | C44 | N17 | C43 | 0.5° | 0.0° |
N16 | C44 | N17 | H70 | 180.0° | 179.9° |
N16 | C44 | N17 | H71 | 179.5° | 179.9° |
H68 | N16 | C44 | N17 | 179.9° | 179.9° |
H68 | N16 | C44 | H70 | 0.1° | 0.0° |
C43 | N17 | C44 | H71 | 180.0° | 179.9° |
C43 | N17 | C44 | H70 | 179.5° | 179.9° |
H69 | C43 | N17 | C44 | 179.3° | 179.8° |
H69 | C43 | N17 | H71 | 0.7° | 0.1° |
H70 | C44 | N17 | H71 | 0.5° | 0.0° |
C45 | N18 | H72 | C40 | 180.0° | 179.5° |
N18 | C45 | C46 | C47 | 119.8° | 126.9° |
N18 | C45 | C46 | H73 | 119.4° | 116.9° |
N18 | C45 | C47 | H73 | 122.3° | 118.3° |
N18 | C45 | C46 | O15 | 65.3° | 0.0° |
N18 | C45 | C47 | C48 | 151.4° | 65.0° |
N18 | C45 | C47 | H74 | 30.7° | 55.0° |
N18 | C45 | C47 | H75 | 88.0° | 175.0° |
N18 | C45 | C46 | N22 | 113.3° | 178.5° |
H72 | N18 | C45 | C46 | 78.4° | 90.8° |
H72 | N18 | C45 | C47 | 41.1° | 143.6° |
H72 | N18 | C45 | H73 | 162.8° | 25.5° |
C46 | C45 | C47 | H73 | 120.9° | 115.9° |
C45 | C46 | O15 | N22 | 178.5° | 178.5° |
C46 | C45 | C47 | C48 | 91.8° | 169.2° |
C46 | C45 | C47 | H74 | 147.6° | 70.8° |
C46 | C45 | C47 | H75 | 28.8° | 49.2° |
C45 | C46 | N22 | C51 | 172.5° | 177.8° |
C45 | C46 | N22 | H85 | 7.5° | 3.0° |
C46 | C45 | N18 | C40 | 101.6° | 88.6° |
C47 | C45 | C46 | O15 | 54.5° | 127.0° |
C45 | C47 | C48 | H74 | 120.6° | 120.0° |
C45 | C47 | C48 | H75 | 120.6° | 120.0° |
C45 | C47 | H74 | H75 | 118.0° | 120.0° |
C45 | C47 | C48 | C49 | 161.2° | 180.0° |
C45 | C47 | C48 | H76 | 40.8° | 60.0° |
C45 | C47 | C48 | H77 | 78.4° | 60.0° |
C47 | C45 | N18 | C40 | 138.9° | 37.0° |
C47 | C45 | C46 | N22 | 126.9° | 54.5° |
H73 | C45 | C46 | O15 | 175.3° | 116.9° |
H73 | C45 | C47 | C48 | 29.1° | 53.3° |
H73 | C45 | C47 | H74 | 91.6° | 173.3° |
H73 | C45 | C47 | H75 | 149.7° | 66.7° |
H73 | C45 | N18 | C40 | 17.2° | 155.0° |
H73 | C45 | C46 | N22 | 6.1° | 61.6° |
O15 | C46 | N22 | C51 | 6.1° | 3.7° |
O15 | C46 | N22 | H85 | 173.9° | 175.4° |
C48 | C47 | H74 | H75 | 118.0° | 120.0° |
C47 | C48 | C49 | H76 | 120.4° | 120.0° |
C47 | C48 | C49 | H77 | 120.4° | 120.0° |
C47 | C48 | H76 | H77 | 118.8° | 119.9° |
C47 | C48 | C49 | N19 | 26.0° | 180.0° |
C47 | C48 | C49 | H78 | 94.4° | 60.0° |
C47 | C48 | C49 | H79 | 146.3° | 60.1° |
H74 | C47 | C48 | C49 | 78.1° | 59.9° |
H74 | C47 | C48 | H76 | 161.5° | 180.0° |
H74 | C47 | C48 | H77 | 42.3° | 60.0° |
H75 | C47 | C48 | C49 | 40.6° | 60.0° |
H75 | C47 | C48 | H76 | 79.8° | 60.1° |
H75 | C47 | C48 | H77 | 161.0° | 180.0° |
C49 | C48 | H76 | H77 | 118.7° | 120.0° |
C48 | C49 | N19 | H78 | 120.4° | 120.1° |
C48 | C49 | N19 | H79 | 120.4° | 119.9° |
C48 | C49 | H78 | H79 | 119.0° | 120.0° |
C48 | C49 | N19 | C50 | 72.8° | 180.0° |
C48 | C49 | N19 | H80 | 107.2° | 0.1° |
H76 | C48 | C49 | N19 | 146.4° | 60.0° |
H76 | C48 | C49 | H78 | 26.1° | 180.0° |
H76 | C48 | C49 | H79 | 93.2° | 59.9° |
H77 | C48 | C49 | N19 | 94.4° | 60.1° |
H77 | C48 | C49 | H78 | 145.2° | 60.0° |
H77 | C48 | C49 | H79 | 25.9° | 180.0° |
N19 | C49 | H78 | H79 | 119.0° | 120.0° |
C49 | N19 | C50 | H80 | 180.0° | 179.9° |
C49 | N19 | C50 | N20 | 0.0° | 0.0° |
C49 | N19 | C50 | N21 | 179.6° | 179.9° |
H78 | C49 | N19 | C50 | 166.8° | 60.0° |
H78 | C49 | N19 | H80 | 13.1° | 120.0° |
H79 | C49 | N19 | C50 | 47.5° | 60.1° |
H79 | C49 | N19 | H80 | 132.4° | 120.0° |
N19 | C50 | N20 | N21 | 179.6° | 179.9° |
N19 | C50 | N20 | H81 | 179.6° | 0.0° |
N19 | C50 | N20 | H82 | 0.4° | 180.0° |
N19 | C50 | N21 | H83 | 179.6° | 0.0° |
N19 | C50 | N21 | H84 | 0.4° | 179.9° |
H80 | N19 | C50 | N20 | 180.0° | 180.0° |
H80 | N19 | C50 | N21 | 0.4° | 0.0° |
C50 | N20 | H81 | H82 | 180.0° | 180.0° |
N20 | C50 | N21 | H83 | 0.0° | 180.0° |
N20 | C50 | N21 | H84 | 180.0° | 0.0° |
N21 | C50 | N20 | H81 | 0.0° | 180.0° |
N21 | C50 | N20 | H82 | 180.0° | 0.0° |
C50 | N21 | H83 | H84 | 180.0° | 180.0° |
C51 | N22 | H85 | C46 | 180.0° | 179.2° |
N22 | C51 | C52 | C53 | 123.8° | 122.5° |
N22 | C51 | C52 | H86 | 118.8° | 118.9° |
N22 | C51 | C53 | H86 | 117.7° | 119.0° |
N22 | C51 | C52 | O16 | 86.6° | 20.0° |
N22 | C51 | C53 | S4 | 74.5° | 146.3° |
N22 | C51 | C53 | H87 | 46.0° | 93.8° |
N22 | C51 | C53 | H88 | 164.9° | 26.2° |
N22 | C51 | C52 | N23 | 95.4° | 160.0° |
H85 | N22 | C51 | C52 | 53.2° | 114.3° |
H85 | N22 | C51 | C53 | 71.1° | 123.5° |
H85 | N22 | C51 | H86 | 171.6° | 4.5° |
C52 | C51 | C53 | H86 | 117.5° | 118.5° |
C51 | C52 | O16 | N23 | 177.8° | 179.9° |
C52 | C51 | C53 | S4 | 160.6° | 23.8° |
C52 | C51 | C53 | H87 | 78.9° | 143.7° |
C52 | C51 | C53 | H88 | 40.0° | 96.3° |
C51 | C52 | N23 | C54 | 168.3° | 180.0° |
C51 | C52 | N23 | H89 | 11.7° | 0.0° |
C52 | C51 | N22 | C46 | 126.8° | 64.8° |
C53 | C51 | C52 | O16 | 37.2° | 102.5° |
C51 | C53 | S4 | H87 | 120.5° | 120.0° |
C51 | C53 | S4 | H88 | 120.5° | 120.5° |
C51 | C53 | H87 | H88 | 118.3° | 120.5° |
C51 | C53 | S4 | S1 | 137.8° | 153.9° |
C53 | C51 | N22 | C46 | 108.9° | 57.4° |
C53 | C51 | C52 | N23 | 140.8° | 77.5° |
H86 | C51 | C52 | O16 | 154.7° | 139.0° |
H86 | C51 | C53 | S4 | 43.1° | 94.7° |
H86 | C51 | C53 | H87 | 163.7° | 25.2° |
H86 | C51 | C53 | H88 | 77.4° | 145.3° |
H86 | C51 | N22 | C46 | 8.4° | 176.4° |
H86 | C51 | C52 | N23 | 23.4° | 41.1° |
O16 | C52 | N23 | C54 | 13.7° | 0.0° |
O16 | C52 | N23 | H89 | 166.3° | 180.0° |
S4 | C53 | H87 | H88 | 118.4° | 119.4° |
H87 | C53 | S4 | S1 | 101.6° | 86.1° |
H88 | C53 | S4 | S1 | 17.3° | 33.4° |
C54 | N23 | H89 | C52 | 180.0° | 180.0° |
N23 | C54 | C55 | C56 | 120.5° | 120.0° |
N23 | C54 | C55 | H90 | 119.3° | 120.0° |
N23 | C54 | C56 | H90 | 121.5° | 120.0° |
N23 | C54 | C55 | O17 | 121.2° | 0.0° |
N23 | C54 | C56 | C57 | 35.0° | 65.0° |
N23 | C54 | C56 | H91 | 86.6° | 55.0° |
N23 | C54 | C56 | H92 | 156.6° | 175.0° |
N23 | C54 | C55 | N24 | 56.9° | 180.0° |
H89 | N23 | C54 | C55 | 91.2° | 95.0° |
H89 | N23 | C54 | C56 | 29.4° | 25.0° |
H89 | N23 | C54 | H90 | 150.2° | 145.0° |
C55 | C54 | C56 | H90 | 120.3° | 120.0° |
C54 | C55 | O17 | N24 | 177.9° | 180.0° |
C55 | C54 | C56 | C57 | 153.2° | 175.0° |
C55 | C54 | C56 | H91 | 31.6° | 65.0° |
C55 | C54 | C56 | H92 | 85.2° | 55.0° |
C54 | C55 | N24 | H100 | 178.0° | 0.0° |
C54 | C55 | N24 | H101 | 2.0° | 180.0° |
C55 | C54 | N23 | C52 | 88.8° | 85.0° |
C56 | C54 | C55 | O17 | 118.3° | 120.0° |
C54 | C56 | C57 | H91 | 121.6° | 120.0° |
C54 | C56 | C57 | H92 | 121.6° | 120.0° |
C54 | C56 | H91 | H92 | 114.9° | 120.0° |
C54 | C56 | C57 | C58 | 47.0° | 175.0° |
C54 | C56 | C57 | C59 | 79.4° | 65.0° |
C54 | C56 | C57 | H93 | 163.1° | 55.0° |
C56 | C54 | N23 | C52 | 150.6° | 155.0° |
C56 | C54 | C55 | N24 | 63.7° | 60.0° |
H90 | C54 | C55 | O17 | 1.9° | 120.0° |
H90 | C54 | C56 | C57 | 86.5° | 55.0° |
H90 | C54 | C56 | H91 | 151.9° | 175.0° |
H90 | C54 | C56 | H92 | 35.1° | 65.0° |
H90 | C54 | N23 | C52 | 29.8° | 35.0° |
H90 | C54 | C55 | N24 | 176.2° | 60.0° |
O17 | C55 | N24 | H100 | 0.0° | 180.0° |
O17 | C55 | N24 | H101 | 180.0° | 0.0° |
C57 | C56 | H91 | H92 | 114.8° | 120.0° |
C56 | C57 | C58 | C59 | 128.0° | 120.0° |
C56 | C57 | C58 | H93 | 115.9° | 120.0° |
C56 | C57 | C59 | H93 | 117.4° | 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° | 59.9° |
C56 | C57 | C59 | H99 | 60.0° | 180.0° |
H91 | C56 | C57 | C58 | 168.7° | 55.0° |
H91 | C56 | C57 | C59 | 42.2° | 175.0° |
H91 | C56 | C57 | H93 | 75.3° | 65.0° |
H92 | C56 | C57 | C58 | 74.6° | 65.0° |
H92 | C56 | C57 | C59 | 159.0° | 55.1° |
H92 | C56 | C57 | H93 | 41.5° | 175.0° |
C58 | C57 | C59 | H93 | 116.1° | 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 | 53.5° | 60.0° |
C58 | C57 | C59 | H98 | 66.5° | 180.0° |
C58 | C57 | C59 | H99 | 173.5° | 60.0° |
C59 | C57 | C58 | H94 | 52.0° | 60.0° |
C59 | C57 | C58 | H95 | 172.0° | 60.0° |
C59 | C57 | C58 | H96 | 68.0° | 180.0° |
C57 | C59 | H97 | H98 | 120.0° | 120.0° |
C57 | C59 | H97 | H99 | 120.0° | 120.0° |
C57 | C59 | H98 | H99 | 120.0° | 120.0° |
H93 | C57 | C58 | H94 | 64.1° | 180.0° |
H93 | C57 | C58 | H95 | 55.9° | 60.0° |
H93 | C57 | C58 | H96 | 175.9° | 60.0° |
H93 | C57 | C59 | H97 | 62.6° | 180.0° |
H93 | C57 | C59 | H98 | 177.4° | 60.0° |
H93 | C57 | C59 | H99 | 57.4° | 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° |