PRD_002512
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | O1 | doub | 1.21Å | 0.00Å | |
| C1 | C2 | sing | 1.51Å | 0.00Å | |
| C2 | H1 | sing | 1.09Å | 0.00Å | |
| C2 | H2 | sing | 1.09Å | 0.00Å | |
| C2 | H3 | sing | 1.09Å | 0.00Å | |
| N1 | C3 | sing | 1.47Å | 1.46Å | |
| N1 | C6 | sing | 1.47Å | 1.47Å | |
| C3 | C4 | sing | 1.54Å | 1.54Å | |
| C3 | C7 | sing | 1.51Å | 1.53Å | |
| C3 | H4 | sing | 1.09Å | 1.10Å | |
| C4 | C5 | sing | 1.55Å | 1.56Å | |
| C4 | H5 | sing | 1.09Å | 1.10Å | |
| C4 | H6 | sing | 1.09Å | 1.10Å | |
| C5 | C6 | sing | 1.55Å | 1.53Å | |
| C5 | H7 | sing | 1.09Å | 1.10Å | |
| C5 | H8 | sing | 1.09Å | 1.10Å | |
| C6 | H9 | sing | 1.09Å | 1.10Å | |
| C6 | H10 | sing | 1.09Å | 1.10Å | |
| C7 | O2 | doub | 1.21Å | 1.25Å | |
| N2 | C8 | sing | 1.46Å | 1.46Å | |
| N2 | H11 | sing | 0.97Å | 1.00Å | |
| C8 | C9 | sing | 1.53Å | 1.53Å | |
| C8 | C18 | sing | 1.51Å | 1.53Å | |
| C8 | H12 | sing | 1.09Å | 1.10Å | |
| C9 | C10 | sing | 1.51Å | 1.51Å | |
| C9 | H13 | sing | 1.09Å | 1.10Å | |
| C9 | H14 | sing | 1.09Å | 1.10Å | |
| C10 | C11 | doub | 1.34Å | 1.37Å | Aromatic |
| C10 | C17 | sing | 1.47Å | 1.44Å | Aromatic |
| C11 | N3 | sing | 1.37Å | 1.38Å | Aromatic |
| C11 | H15 | sing | 1.08Å | 1.08Å | |
| N3 | C12 | sing | 1.38Å | 1.37Å | Aromatic |
| N3 | H16 | sing | 0.97Å | 1.00Å | |
| C12 | C13 | doub | 1.39Å | 1.39Å | Aromatic |
| C12 | C17 | sing | 1.41Å | 1.41Å | Aromatic |
| C13 | C14 | sing | 1.38Å | 1.37Å | Aromatic |
| C13 | H17 | sing | 1.08Å | 1.08Å | |
| C14 | C15 | doub | 1.39Å | 1.40Å | Aromatic |
| C14 | H18 | sing | 1.08Å | 1.08Å | |
| C15 | C16 | sing | 1.37Å | 1.38Å | Aromatic |
| C15 | H19 | sing | 1.08Å | 1.08Å | |
| C16 | C17 | doub | 1.40Å | 1.40Å | Aromatic |
| C16 | H20 | sing | 1.08Å | 1.08Å | |
| C18 | O3 | doub | 1.21Å | 1.23Å | |
| N4 | C19 | sing | 1.47Å | 1.46Å | |
| N4 | H21 | sing | 0.97Å | 1.00Å | |
| C19 | C20 | sing | 1.51Å | 1.53Å | |
| C19 | C21 | sing | 1.53Å | 1.54Å | |
| C19 | H22 | sing | 1.09Å | 1.10Å | |
| C20 | O4 | doub | 1.21Å | 1.23Å | |
| C21 | C22 | sing | 1.53Å | 1.54Å | |
| C21 | H23 | sing | 1.09Å | 1.10Å | |
| C21 | H24 | sing | 1.09Å | 1.10Å | |
| C22 | C23 | sing | 1.51Å | 1.54Å | |
| C22 | H25 | sing | 1.09Å | 1.10Å | |
| C22 | H26 | sing | 1.09Å | 1.10Å | |
| C23 | O5 | doub | 1.21Å | 1.26Å | |
| C23 | O6 | sing | 1.34Å | 1.25Å | |
| O6 | H27 | sing | 0.97Å | 0.95Å | |
| N5 | C24 | sing | 1.46Å | 1.47Å | |
| N5 | H28 | sing | 0.97Å | 1.00Å | |
| C24 | C25 | sing | 1.51Å | 1.53Å | |
| C24 | C26 | sing | 1.53Å | 1.55Å | |
| C24 | H29 | sing | 1.09Å | 1.10Å | |
| C25 | O7 | doub | 1.21Å | 1.25Å | |
| C26 | C27 | sing | 1.51Å | 1.53Å | |
| C26 | H30 | sing | 1.09Å | 1.10Å | |
| C26 | H31 | sing | 1.09Å | 1.10Å | |
| C27 | O8 | doub | 1.21Å | 1.27Å | |
| C27 | O9 | sing | 1.34Å | 1.25Å | |
| O9 | H32 | sing | 0.97Å | 0.95Å | |
| N6 | C28 | sing | 1.46Å | 1.47Å | |
| N6 | H33 | sing | 0.97Å | 1.00Å | |
| C28 | C29 | sing | 1.51Å | 1.51Å | |
| C28 | C30 | sing | 1.53Å | 1.53Å | |
| C28 | H34 | sing | 1.09Å | 1.10Å | |
| C29 | O10 | doub | 1.21Å | 1.23Å | |
| C30 | S1 | sing | 1.81Å | 1.82Å | |
| C30 | H35 | sing | 1.09Å | 1.10Å | |
| C30 | H36 | sing | 1.09Å | 1.10Å | |
| S1 | H37 | sing | 1.34Å | 1.30Å | |
| N7 | C31 | sing | 1.47Å | 1.46Å | |
| N7 | H38 | sing | 0.97Å | 1.00Å | |
| C31 | C32 | sing | 1.53Å | 1.50Å | |
| C31 | C33 | sing | 1.51Å | 1.52Å | |
| C31 | H39 | sing | 1.09Å | 1.10Å | |
| C32 | H40 | sing | 1.09Å | 1.10Å | |
| C32 | H41 | sing | 1.09Å | 1.10Å | |
| C32 | H42 | sing | 1.09Å | 1.10Å | |
| C33 | O11 | doub | 1.21Å | 1.24Å | |
| N8 | C34 | sing | 1.47Å | 1.44Å | |
| N8 | H43 | sing | 0.97Å | 1.00Å | |
| C34 | C35 | sing | 1.53Å | 1.56Å | |
| C34 | C44 | sing | 1.51Å | 1.54Å | |
| C34 | H44 | sing | 1.09Å | 1.10Å | |
| C35 | C36 | sing | 1.51Å | 1.51Å | |
| C35 | H45 | sing | 1.09Å | 1.10Å | |
| C35 | H46 | sing | 1.09Å | 1.10Å | |
| C36 | C37 | doub | 1.34Å | 1.34Å | Aromatic |
| C36 | C43 | sing | 1.46Å | 1.43Å | Aromatic |
| C37 | N9 | sing | 1.37Å | 1.37Å | Aromatic |
| C37 | H47 | sing | 1.08Å | 1.08Å | |
| N9 | C38 | sing | 1.38Å | 1.37Å | Aromatic |
| N9 | H48 | sing | 0.97Å | 1.00Å | |
| C38 | C39 | doub | 1.39Å | 1.39Å | Aromatic |
| C38 | C43 | sing | 1.41Å | 1.41Å | Aromatic |
| C39 | C40 | sing | 1.38Å | 1.37Å | Aromatic |
| C39 | H49 | sing | 1.08Å | 1.08Å | |
| C40 | C41 | doub | 1.39Å | 1.39Å | Aromatic |
| C40 | H50 | sing | 1.08Å | 1.08Å | |
| C41 | C42 | sing | 1.37Å | 1.39Å | Aromatic |
| C41 | H51 | sing | 1.08Å | 1.08Å | |
| C42 | C43 | doub | 1.40Å | 1.40Å | Aromatic |
| C42 | H52 | sing | 1.08Å | 1.08Å | |
| C44 | O12 | doub | 1.21Å | 1.23Å | |
| N10 | C45 | sing | 1.47Å | 1.46Å | |
| N10 | H53 | sing | 0.97Å | 1.00Å | |
| C45 | C46 | sing | 1.51Å | 1.53Å | |
| C45 | C47 | sing | 1.53Å | 1.53Å | |
| C45 | H54 | sing | 1.09Å | 1.10Å | |
| C46 | O13 | doub | 1.21Å | 1.23Å | |
| C47 | C48 | sing | 1.51Å | 1.52Å | |
| C47 | H55 | sing | 1.09Å | 1.10Å | |
| C47 | H56 | sing | 1.09Å | 1.10Å | |
| C48 | C49 | doub | 1.38Å | 1.38Å | Aromatic |
| C48 | C50 | sing | 1.38Å | 1.38Å | Aromatic |
| C49 | C51 | sing | 1.38Å | 1.41Å | Aromatic |
| C49 | H57 | sing | 1.08Å | 1.08Å | |
| C50 | C52 | doub | 1.38Å | 1.39Å | Aromatic |
| C50 | H58 | sing | 1.08Å | 1.08Å | |
| C51 | C53 | doub | 1.38Å | 1.39Å | Aromatic |
| C51 | H59 | sing | 1.08Å | 1.08Å | |
| C52 | C53 | sing | 1.38Å | 1.38Å | Aromatic |
| C52 | H60 | sing | 1.08Å | 1.08Å | |
| C53 | H61 | sing | 1.08Å | 1.08Å | |
| N11 | C54 | sing | 1.47Å | 1.49Å | |
| N11 | H62 | sing | 0.97Å | 1.00Å | |
| C54 | C55 | sing | 1.53Å | 1.49Å | |
| C54 | C56 | sing | 1.51Å | 1.52Å | |
| C54 | H63 | sing | 1.09Å | 1.10Å | |
| C55 | H64 | sing | 1.09Å | 1.10Å | |
| C55 | H65 | sing | 1.09Å | 1.10Å | |
| C55 | H66 | sing | 1.09Å | 1.10Å | |
| C56 | O14 | doub | 1.21Å | 1.24Å | |
| N12 | C57 | sing | 1.47Å | 1.46Å | |
| N12 | H67 | sing | 0.97Å | 1.00Å | |
| C57 | C58 | sing | 1.53Å | 1.55Å | |
| C57 | C67 | sing | 1.51Å | 1.54Å | |
| C57 | H68 | sing | 1.09Å | 1.10Å | |
| C58 | C59 | sing | 1.51Å | 1.52Å | |
| C58 | H69 | sing | 1.09Å | 1.10Å | |
| C58 | H70 | sing | 1.09Å | 1.10Å | |
| C59 | C60 | doub | 1.34Å | 1.38Å | Aromatic |
| C59 | C66 | sing | 1.47Å | 1.44Å | Aromatic |
| C60 | N13 | sing | 1.37Å | 1.39Å | Aromatic |
| C60 | H71 | sing | 1.08Å | 1.08Å | |
| N13 | C61 | sing | 1.38Å | 1.37Å | Aromatic |
| N13 | H72 | sing | 0.97Å | 1.00Å | |
| C61 | C62 | doub | 1.39Å | 1.40Å | Aromatic |
| C61 | C66 | sing | 1.41Å | 1.41Å | Aromatic |
| C62 | C63 | sing | 1.38Å | 1.36Å | Aromatic |
| C62 | H73 | sing | 1.08Å | 1.08Å | |
| C63 | C64 | doub | 1.39Å | 1.41Å | Aromatic |
| C63 | H74 | sing | 1.08Å | 1.08Å | |
| C64 | C65 | sing | 1.37Å | 1.39Å | Aromatic |
| C64 | H75 | sing | 1.08Å | 1.08Å | |
| C65 | C66 | doub | 1.40Å | 1.41Å | Aromatic |
| C65 | H76 | sing | 1.08Å | 1.08Å | |
| C67 | O15 | doub | 1.21Å | 1.24Å | |
| N14 | C68 | sing | 1.46Å | 1.45Å | |
| N14 | H77 | sing | 0.97Å | 1.00Å | |
| C68 | C69 | sing | 1.53Å | 1.53Å | |
| C68 | C70 | sing | 1.51Å | 1.52Å | |
| C68 | H78 | sing | 1.09Å | 1.10Å | |
| C69 | H79 | sing | 1.09Å | 1.10Å | |
| C69 | H80 | sing | 1.09Å | 1.10Å | |
| C69 | H81 | sing | 1.09Å | 1.10Å | |
| C70 | O16 | doub | 1.21Å | 1.24Å | |
| N15 | C71 | sing | 1.46Å | 1.47Å | |
| N15 | H82 | sing | 0.97Å | 1.00Å | |
| C71 | C72 | sing | 1.51Å | 1.52Å | |
| C71 | C73 | sing | 1.53Å | 1.52Å | |
| C71 | H83 | sing | 1.09Å | 1.10Å | |
| C72 | O17 | doub | 1.21Å | 1.25Å | |
| C73 | S2 | sing | 1.81Å | 1.82Å | |
| C73 | H84 | sing | 1.09Å | 1.10Å | |
| C73 | H85 | sing | 1.09Å | 1.10Å | |
| S2 | H86 | sing | 1.35Å | 1.30Å | |
| N16 | C74 | sing | 1.46Å | 1.47Å | |
| N16 | H87 | sing | 0.97Å | 1.00Å | |
| C74 | C75 | sing | 1.51Å | 1.53Å | |
| C74 | C76 | sing | 1.53Å | 1.55Å | |
| C74 | H88 | sing | 1.09Å | 1.10Å | |
| C75 | O18 | doub | 1.21Å | 1.22Å | |
| C76 | C77 | sing | 1.51Å | 1.51Å | |
| C76 | H89 | sing | 1.09Å | 1.10Å | |
| C76 | H90 | sing | 1.09Å | 1.10Å | |
| C77 | C78 | doub | 1.38Å | 1.40Å | Aromatic |
| C77 | C79 | sing | 1.38Å | 1.39Å | Aromatic |
| C78 | C80 | sing | 1.38Å | 1.39Å | Aromatic |
| C78 | H91 | sing | 1.08Å | 1.08Å | |
| C79 | C81 | doub | 1.38Å | 1.37Å | Aromatic |
| C79 | H92 | sing | 1.08Å | 1.08Å | |
| C80 | C82 | doub | 1.39Å | 1.38Å | Aromatic |
| C80 | H93 | sing | 1.08Å | 1.08Å | |
| C81 | C82 | sing | 1.39Å | 1.38Å | Aromatic |
| C81 | H94 | sing | 1.08Å | 1.08Å | |
| C82 | O19 | sing | 1.36Å | 1.36Å | |
| O19 | H95 | sing | 0.97Å | 0.95Å | |
| N17 | C83 | sing | 1.46Å | 1.46Å | |
| N17 | H96 | sing | 0.97Å | 1.00Å | |
| C83 | C84 | sing | 1.51Å | 1.53Å | |
| C83 | C85 | sing | 1.53Å | 1.53Å | |
| C83 | H97 | sing | 1.09Å | 1.10Å | |
| C84 | O20 | doub | 1.21Å | 1.23Å | |
| C85 | C86 | sing | 1.51Å | 1.52Å | |
| C85 | H98 | sing | 1.09Å | 1.10Å | |
| C85 | H99 | sing | 1.09Å | 1.10Å | |
| C86 | O21 | doub | 1.21Å | 1.22Å | |
| C86 | N18 | sing | 1.35Å | 1.32Å | |
| N18 | H100 | sing | 0.97Å | 1.00Å | |
| N18 | H101 | sing | 0.97Å | 1.00Å | |
| N19 | C87 | sing | 1.47Å | 1.44Å | |
| N19 | H102 | sing | 0.97Å | 1.00Å | |
| C87 | C88 | sing | 1.51Å | 1.54Å | |
| C87 | C89 | sing | 1.53Å | 1.56Å | |
| C87 | H103 | sing | 1.09Å | 1.10Å | |
| C88 | O22 | doub | 1.21Å | 1.23Å | |
| C89 | C90 | sing | 1.53Å | 1.53Å | |
| C89 | C91 | sing | 1.53Å | 1.50Å | |
| C89 | H104 | sing | 1.09Å | 1.10Å | |
| C90 | C92 | sing | 1.53Å | 1.47Å | |
| C90 | H105 | sing | 1.09Å | 1.10Å | |
| C90 | H106 | sing | 1.09Å | 1.10Å | |
| C91 | H107 | sing | 1.09Å | 1.10Å | |
| C91 | H108 | sing | 1.09Å | 1.10Å | |
| C91 | H109 | sing | 1.09Å | 1.10Å | |
| C92 | H110 | sing | 1.09Å | 1.10Å | |
| C92 | H111 | sing | 1.09Å | 1.10Å | |
| C92 | H112 | sing | 1.09Å | 1.10Å | |
| N20 | H113 | sing | 0.97Å | 1.00Å | |
| N20 | H114 | sing | 0.97Å | 1.00Å | |
| C1 | N1 | sing | 1.35Å | 35.37Å | |
| C7 | N2 | sing | 1.35Å | 1.33Å | |
| C18 | N4 | sing | 1.35Å | 1.33Å | |
| C20 | N5 | sing | 1.35Å | 1.34Å | |
| C25 | N6 | sing | 1.35Å | 1.32Å | |
| C29 | N7 | sing | 1.35Å | 1.33Å | |
| C33 | N8 | sing | 1.35Å | 1.33Å | |
| C44 | N10 | sing | 1.35Å | 1.33Å | |
| C46 | N11 | sing | 1.35Å | 1.32Å | |
| C56 | N12 | sing | 1.35Å | 1.34Å | |
| C67 | N14 | sing | 1.35Å | 1.33Å | |
| C70 | N15 | sing | 1.35Å | 1.33Å | |
| C72 | N16 | sing | 1.35Å | 1.34Å | |
| C75 | N17 | sing | 1.35Å | 1.33Å | |
| C84 | N19 | sing | 1.35Å | 1.33Å | |
| C88 | N20 | sing | 1.35Å | 1.33Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C1 | C2 | 90.0° | 120.0° |
| O1 | C1 | N1 | 90.0° | 120.0° |
| C1 | C2 | H1 | 90.0° | 109.5° |
| C1 | C2 | H2 | 90.0° | 109.5° |
| C1 | C2 | H3 | 90.0° | 109.5° |
| C2 | C1 | N1 | 90.0° | 120.0° |
| H1 | C2 | H2 | 90.0° | 109.5° |
| H1 | C2 | H3 | 90.0° | 109.4° |
| H2 | C2 | H3 | 90.0° | 109.5° |
| C3 | N1 | C6 | 110.7° | 108.7° |
| N1 | C3 | C4 | 102.6° | 107.3° |
| N1 | C3 | C7 | 109.2° | 109.9° |
| N1 | C3 | H4 | 112.2° | 109.9° |
| C3 | N1 | C1 | 127.6° | 125.6° |
| N1 | C6 | C5 | 102.7° | 104.7° |
| N1 | C6 | H9 | 111.1° | 110.4° |
| N1 | C6 | H10 | 111.1° | 110.4° |
| C6 | N1 | C1 | 91.3° | 125.7° |
| C4 | C3 | C7 | 110.5° | 109.9° |
| C4 | C3 | H4 | 111.0° | 109.9° |
| C3 | C4 | C5 | 104.9° | 103.0° |
| C3 | C4 | H5 | 110.6° | 110.7° |
| C3 | C4 | H6 | 110.6° | 110.7° |
| C7 | C3 | H4 | 111.2° | 109.9° |
| C3 | C7 | O2 | 119.7° | 120.0° |
| C3 | C7 | N2 | 116.3° | 120.0° |
| C5 | C4 | H5 | 110.6° | 110.8° |
| C5 | C4 | H6 | 110.6° | 110.7° |
| C4 | C5 | C6 | 107.2° | 101.5° |
| C4 | C5 | H7 | 110.0° | 111.0° |
| C4 | C5 | H8 | 110.0° | 111.0° |
| H5 | C4 | H6 | 109.5° | 110.7° |
| C6 | C5 | H7 | 110.0° | 111.1° |
| C6 | C5 | H8 | 110.1° | 110.9° |
| C5 | C6 | H9 | 111.2° | 110.4° |
| C5 | C6 | H10 | 111.1° | 110.4° |
| H7 | C5 | H8 | 109.5° | 110.9° |
| H9 | C6 | H10 | 109.5° | 110.4° |
| O2 | C7 | N2 | 124.0° | 120.0° |
| C8 | N2 | H11 | 118.7° | 120.0° |
| N2 | C8 | C9 | 110.7° | 109.4° |
| N2 | C8 | C18 | 111.9° | 109.5° |
| N2 | C8 | H12 | 108.7° | 109.5° |
| C8 | N2 | C7 | 122.6° | 120.0° |
| H11 | N2 | C7 | 118.7° | 120.0° |
| C9 | C8 | C18 | 109.9° | 109.5° |
| C9 | C8 | H12 | 107.7° | 109.5° |
| C8 | C9 | C10 | 114.0° | 109.5° |
| C8 | C9 | H13 | 108.3° | 109.5° |
| C8 | C9 | H14 | 108.3° | 109.5° |
| C18 | C8 | H12 | 107.8° | 109.5° |
| C8 | C18 | O3 | 120.2° | 120.0° |
| C8 | C18 | N4 | 117.3° | 120.0° |
| C10 | C9 | H13 | 108.3° | 109.4° |
| C10 | C9 | H14 | 108.3° | 109.5° |
| C9 | C10 | C11 | 127.1° | 126.5° |
| C9 | C10 | C17 | 126.7° | 126.5° |
| H13 | C9 | H14 | 109.5° | 109.4° |
| C11 | C10 | C17 | 106.2° | 107.0° |
| C10 | C11 | N3 | 110.0° | 110.0° |
| C10 | C11 | H15 | 125.0° | 125.0° |
| C10 | C17 | C12 | 107.3° | 106.0° |
| C10 | C17 | C16 | 133.9° | 134.0° |
| N3 | C11 | H15 | 125.0° | 125.0° |
| C11 | N3 | C12 | 109.0° | 109.9° |
| C11 | N3 | H16 | 125.5° | 125.1° |
| C12 | N3 | H16 | 125.5° | 125.0° |
| N3 | C12 | C13 | 130.2° | 133.6° |
| N3 | C12 | C17 | 107.5° | 107.1° |
| C13 | C12 | C17 | 122.3° | 119.3° |
| C12 | C13 | C14 | 117.4° | 119.8° |
| C12 | C13 | H17 | 121.3° | 120.1° |
| C12 | C17 | C16 | 118.8° | 120.0° |
| C14 | C13 | H17 | 121.3° | 120.1° |
| C13 | C14 | C15 | 121.6° | 120.7° |
| C13 | C14 | H18 | 119.2° | 119.7° |
| C15 | C14 | H18 | 119.2° | 119.6° |
| C14 | C15 | C16 | 121.2° | 120.5° |
| C14 | C15 | H19 | 119.4° | 119.8° |
| C16 | C15 | H19 | 119.4° | 119.7° |
| C15 | C16 | C17 | 118.7° | 119.7° |
| C15 | C16 | H20 | 120.6° | 120.1° |
| C17 | C16 | H20 | 120.7° | 120.1° |
| O3 | C18 | N4 | 122.5° | 119.9° |
| C19 | N4 | H21 | 119.9° | 120.0° |
| N4 | C19 | C20 | 112.4° | 109.5° |
| N4 | C19 | C21 | 114.1° | 109.4° |
| N4 | C19 | H22 | 106.7° | 109.5° |
| C19 | N4 | C18 | 120.2° | 120.1° |
| H21 | N4 | C18 | 119.9° | 119.9° |
| C20 | C19 | C21 | 111.2° | 109.5° |
| C20 | C19 | H22 | 105.9° | 109.4° |
| C19 | C20 | O4 | 118.6° | 120.0° |
| C19 | C20 | N5 | 117.9° | 120.0° |
| C21 | C19 | H22 | 105.8° | 109.5° |
| C19 | C21 | C22 | 110.6° | 109.5° |
| C19 | C21 | H23 | 109.2° | 109.5° |
| C19 | C21 | H24 | 109.2° | 109.5° |
| O4 | C20 | N5 | 123.5° | 120.0° |
| C22 | C21 | H23 | 109.2° | 109.5° |
| C22 | C21 | H24 | 109.2° | 109.5° |
| C21 | C22 | C23 | 115.5° | 109.5° |
| C21 | C22 | H25 | 107.9° | 109.4° |
| C21 | C22 | H26 | 108.0° | 109.4° |
| H23 | C21 | H24 | 109.4° | 109.5° |
| C23 | C22 | H25 | 107.9° | 109.5° |
| C23 | C22 | H26 | 107.9° | 109.5° |
| C22 | C23 | O5 | 117.3° | 120.0° |
| C22 | C23 | O6 | 119.6° | 120.0° |
| H25 | C22 | H26 | 109.5° | 109.5° |
| O5 | C23 | O6 | 123.1° | 120.0° |
| C23 | O6 | H27 | 109.5° | 117.0° |
| C24 | N5 | H28 | 118.8° | 120.0° |
| N5 | C24 | C25 | 108.3° | 109.5° |
| N5 | C24 | C26 | 112.5° | 109.5° |
| N5 | C24 | H29 | 110.0° | 109.5° |
| C24 | N5 | C20 | 122.4° | 120.0° |
| H28 | N5 | C20 | 118.8° | 120.0° |
| C25 | C24 | C26 | 107.8° | 109.5° |
| C25 | C24 | H29 | 109.2° | 109.5° |
| C24 | C25 | O7 | 121.6° | 120.0° |
| C24 | C25 | N6 | 115.0° | 120.0° |
| C26 | C24 | H29 | 109.0° | 109.4° |
| C24 | C26 | C27 | 113.4° | 109.5° |
| C24 | C26 | H30 | 108.5° | 109.5° |
| C24 | C26 | H31 | 108.4° | 109.4° |
| O7 | C25 | N6 | 123.4° | 120.0° |
| C27 | C26 | H30 | 108.5° | 109.5° |
| C27 | C26 | H31 | 108.5° | 109.5° |
| C26 | C27 | O8 | 119.0° | 120.0° |
| C26 | C27 | O9 | 117.8° | 120.0° |
| H30 | C26 | H31 | 109.4° | 109.4° |
| O8 | C27 | O9 | 123.2° | 120.0° |
| C27 | O9 | H32 | 109.5° | 117.0° |
| C28 | N6 | H33 | 119.8° | 120.0° |
| N6 | C28 | C29 | 110.3° | 109.5° |
| N6 | C28 | C30 | 110.2° | 109.5° |
| N6 | C28 | H34 | 109.3° | 109.5° |
| C28 | N6 | C25 | 120.4° | 120.0° |
| H33 | N6 | C25 | 119.8° | 120.0° |
| C29 | C28 | C30 | 109.8° | 109.4° |
| C29 | C28 | H34 | 108.7° | 109.5° |
| C28 | C29 | O10 | 120.7° | 120.0° |
| C28 | C29 | N7 | 116.9° | 120.0° |
| C30 | C28 | H34 | 108.4° | 109.4° |
| C28 | C30 | S1 | 111.1° | 109.5° |
| C28 | C30 | H35 | 109.1° | 109.5° |
| C28 | C30 | H36 | 109.1° | 109.4° |
| O10 | C29 | N7 | 122.4° | 120.0° |
| S1 | C30 | H35 | 109.1° | 109.5° |
| S1 | C30 | H36 | 109.0° | 109.5° |
| C30 | S1 | H37 | 102.0° | 103.0° |
| H35 | C30 | H36 | 109.5° | 109.5° |
| C31 | N7 | H38 | 120.5° | 120.0° |
| N7 | C31 | C32 | 110.5° | 109.5° |
| N7 | C31 | C33 | 111.3° | 109.5° |
| N7 | C31 | H39 | 108.8° | 109.5° |
| C31 | N7 | C29 | 119.1° | 120.0° |
| H38 | N7 | C29 | 120.4° | 120.0° |
| C32 | C31 | C33 | 110.1° | 109.5° |
| C32 | C31 | H39 | 108.2° | 109.5° |
| C31 | C32 | H40 | 109.5° | 109.5° |
| C31 | C32 | H41 | 109.5° | 109.5° |
| C31 | C32 | H42 | 109.5° | 109.4° |
| C33 | C31 | H39 | 108.0° | 109.4° |
| C31 | C33 | O11 | 121.5° | 120.0° |
| C31 | C33 | N8 | 116.9° | 120.0° |
| H40 | C32 | H41 | 109.5° | 109.5° |
| H40 | C32 | H42 | 109.5° | 109.5° |
| H41 | C32 | H42 | 109.5° | 109.5° |
| O11 | C33 | N8 | 121.6° | 120.0° |
| C34 | N8 | H43 | 120.7° | 120.0° |
| N8 | C34 | C35 | 111.7° | 109.4° |
| N8 | C34 | C44 | 112.7° | 109.5° |
| N8 | C34 | H44 | 108.9° | 109.4° |
| C34 | N8 | C33 | 118.6° | 120.0° |
| H43 | N8 | C33 | 120.7° | 120.0° |
| C35 | C34 | C44 | 108.2° | 109.5° |
| C35 | C34 | H44 | 107.4° | 109.5° |
| C34 | C35 | C36 | 114.0° | 109.5° |
| C34 | C35 | H45 | 108.3° | 109.4° |
| C34 | C35 | H46 | 108.3° | 109.5° |
| C44 | C34 | H44 | 107.7° | 109.5° |
| C34 | C44 | O12 | 119.3° | 120.0° |
| C34 | C44 | N10 | 118.7° | 120.0° |
| C36 | C35 | H45 | 108.3° | 109.5° |
| C36 | C35 | H46 | 108.3° | 109.5° |
| C35 | C36 | C37 | 125.9° | 126.5° |
| C35 | C36 | C43 | 127.5° | 126.5° |
| H45 | C35 | H46 | 109.5° | 109.5° |
| C37 | C36 | C43 | 106.6° | 107.0° |
| C36 | C37 | N9 | 110.3° | 109.9° |
| C36 | C37 | H47 | 124.8° | 125.0° |
| C36 | C43 | C38 | 107.1° | 106.1° |
| C36 | C43 | C42 | 134.1° | 134.0° |
| N9 | C37 | H47 | 124.8° | 125.1° |
| C37 | N9 | C38 | 108.9° | 109.9° |
| C37 | N9 | H48 | 125.5° | 125.0° |
| C38 | N9 | H48 | 125.5° | 125.1° |
| N9 | C38 | C39 | 130.4° | 133.5° |
| N9 | C38 | C43 | 107.1° | 107.1° |
| C39 | C38 | C43 | 122.5° | 119.3° |
| C38 | C39 | C40 | 117.5° | 119.8° |
| C38 | C39 | H49 | 121.2° | 120.1° |
| C38 | C43 | C42 | 118.8° | 119.9° |
| C40 | C39 | H49 | 121.2° | 120.1° |
| C39 | C40 | C41 | 121.5° | 120.6° |
| C39 | C40 | H50 | 119.2° | 119.7° |
| C41 | C40 | H50 | 119.3° | 119.7° |
| C40 | C41 | C42 | 121.1° | 120.5° |
| C40 | C41 | H51 | 119.5° | 119.7° |
| C42 | C41 | H51 | 119.5° | 119.8° |
| C41 | C42 | C43 | 118.5° | 119.8° |
| C41 | C42 | H52 | 120.7° | 120.1° |
| C43 | C42 | H52 | 120.8° | 120.1° |
| O12 | C44 | N10 | 122.0° | 120.0° |
| C45 | N10 | H53 | 120.4° | 120.0° |
| N10 | C45 | C46 | 109.2° | 109.5° |
| N10 | C45 | C47 | 111.8° | 109.5° |
| N10 | C45 | H54 | 109.3° | 109.5° |
| C45 | N10 | C44 | 119.2° | 120.0° |
| H53 | N10 | C44 | 120.4° | 120.0° |
| C46 | C45 | C47 | 109.7° | 109.4° |
| C46 | C45 | H54 | 108.4° | 109.5° |
| C45 | C46 | O13 | 120.6° | 120.0° |
| C45 | C46 | N11 | 115.9° | 120.0° |
| C47 | C45 | H54 | 108.4° | 109.5° |
| C45 | C47 | C48 | 114.1° | 109.5° |
| C45 | C47 | H55 | 108.3° | 109.5° |
| C45 | C47 | H56 | 108.3° | 109.5° |
| O13 | C46 | N11 | 123.5° | 120.0° |
| C48 | C47 | H55 | 108.3° | 109.4° |
| C48 | C47 | H56 | 108.3° | 109.5° |
| C47 | C48 | C49 | 121.2° | 120.0° |
| C47 | C48 | C50 | 119.5° | 120.0° |
| H55 | C47 | H56 | 109.4° | 109.5° |
| C49 | C48 | C50 | 119.2° | 120.0° |
| C48 | C49 | C51 | 120.4° | 120.0° |
| C48 | C49 | H57 | 119.8° | 120.0° |
| C48 | C50 | C52 | 121.1° | 120.0° |
| C48 | C50 | H58 | 119.4° | 120.0° |
| C51 | C49 | H57 | 119.8° | 120.0° |
| C49 | C51 | C53 | 119.4° | 120.0° |
| C49 | C51 | H59 | 120.3° | 120.0° |
| C52 | C50 | H58 | 119.5° | 120.0° |
| C50 | C52 | C53 | 119.9° | 120.1° |
| C50 | C52 | H60 | 120.1° | 120.0° |
| C53 | C51 | H59 | 120.3° | 120.0° |
| C51 | C53 | C52 | 120.1° | 120.0° |
| C51 | C53 | H61 | 119.9° | 120.0° |
| C53 | C52 | H60 | 120.1° | 119.9° |
| C52 | C53 | H61 | 120.0° | 120.0° |
| C54 | N11 | H62 | 119.8° | 120.0° |
| N11 | C54 | C55 | 110.4° | 109.4° |
| N11 | C54 | C56 | 109.6° | 109.5° |
| N11 | C54 | H63 | 108.8° | 109.5° |
| C54 | N11 | C46 | 120.4° | 120.0° |
| H62 | N11 | C46 | 119.8° | 120.0° |
| C55 | C54 | C56 | 110.9° | 109.4° |
| C55 | C54 | H63 | 108.7° | 109.4° |
| C54 | C55 | H64 | 109.5° | 109.4° |
| C54 | C55 | H65 | 109.4° | 109.4° |
| C54 | C55 | H66 | 109.5° | 109.5° |
| C56 | C54 | H63 | 108.3° | 109.6° |
| C54 | C56 | O14 | 120.9° | 120.0° |
| C54 | C56 | N12 | 116.4° | 120.0° |
| H64 | C55 | H65 | 109.5° | 109.5° |
| H64 | C55 | H66 | 109.5° | 109.5° |
| H65 | C55 | H66 | 109.5° | 109.5° |
| O14 | C56 | N12 | 122.6° | 120.0° |
| C57 | N12 | H67 | 120.1° | 120.0° |
| N12 | C57 | C58 | 111.0° | 109.5° |
| N12 | C57 | C67 | 112.7° | 109.4° |
| N12 | C57 | H68 | 108.0° | 109.4° |
| C57 | N12 | C56 | 119.9° | 120.0° |
| H67 | N12 | C56 | 120.1° | 120.0° |
| C58 | C57 | C67 | 110.9° | 109.5° |
| C58 | C57 | H68 | 106.9° | 109.5° |
| C57 | C58 | C59 | 111.8° | 109.5° |
| C57 | C58 | H69 | 108.9° | 109.5° |
| C57 | C58 | H70 | 108.9° | 109.5° |
| C67 | C57 | H68 | 107.1° | 109.5° |
| C57 | C67 | O15 | 121.0° | 120.1° |
| C57 | C67 | N14 | 116.3° | 120.0° |
| C59 | C58 | H69 | 108.9° | 109.4° |
| C59 | C58 | H70 | 108.9° | 109.5° |
| C58 | C59 | C60 | 127.6° | 126.5° |
| C58 | C59 | C66 | 126.0° | 126.5° |
| H69 | C58 | H70 | 109.5° | 109.5° |
| C60 | C59 | C66 | 106.5° | 107.0° |
| C59 | C60 | N13 | 109.6° | 109.9° |
| C59 | C60 | H71 | 125.2° | 125.0° |
| C59 | C66 | C61 | 107.3° | 106.0° |
| C59 | C66 | C65 | 133.7° | 134.0° |
| N13 | C60 | H71 | 125.2° | 125.0° |
| C60 | N13 | C61 | 108.7° | 109.9° |
| C60 | N13 | H72 | 125.7° | 125.1° |
| C61 | N13 | H72 | 125.7° | 125.0° |
| N13 | C61 | C62 | 130.0° | 133.5° |
| N13 | C61 | C66 | 107.9° | 107.2° |
| C62 | C61 | C66 | 122.1° | 119.3° |
| C61 | C62 | C63 | 117.8° | 119.8° |
| C61 | C62 | H73 | 121.1° | 120.1° |
| C61 | C66 | C65 | 119.0° | 119.9° |
| C63 | C62 | H73 | 121.1° | 120.1° |
| C62 | C63 | C64 | 122.0° | 120.6° |
| C62 | C63 | H74 | 119.0° | 119.7° |
| C64 | C63 | H74 | 119.0° | 119.7° |
| C63 | C64 | C65 | 120.4° | 120.5° |
| C63 | C64 | H75 | 119.8° | 119.7° |
| C65 | C64 | H75 | 119.8° | 119.7° |
| C64 | C65 | C66 | 118.7° | 119.8° |
| C64 | C65 | H76 | 120.7° | 120.1° |
| C66 | C65 | H76 | 120.7° | 120.1° |
| O15 | C67 | N14 | 122.6° | 120.0° |
| C68 | N14 | H77 | 119.6° | 120.0° |
| N14 | C68 | C69 | 110.2° | 109.5° |
| N14 | C68 | C70 | 110.2° | 109.5° |
| N14 | C68 | H78 | 109.3° | 109.4° |
| C68 | N14 | C67 | 120.8° | 120.0° |
| H77 | N14 | C67 | 119.6° | 120.0° |
| C69 | C68 | C70 | 110.5° | 109.5° |
| C69 | C68 | H78 | 108.3° | 109.4° |
| C68 | C69 | H79 | 109.5° | 109.5° |
| C68 | C69 | H80 | 109.5° | 109.5° |
| C68 | C69 | H81 | 109.5° | 109.4° |
| C70 | C68 | H78 | 108.3° | 109.5° |
| C68 | C70 | O16 | 120.1° | 119.9° |
| C68 | C70 | N15 | 115.7° | 120.0° |
| H79 | C69 | H80 | 109.4° | 109.4° |
| H79 | C69 | H81 | 109.5° | 109.5° |
| H80 | C69 | H81 | 109.5° | 109.4° |
| O16 | C70 | N15 | 124.2° | 120.0° |
| C71 | N15 | H82 | 120.0° | 119.9° |
| N15 | C71 | C72 | 110.7° | 109.5° |
| N15 | C71 | C73 | 111.8° | 109.5° |
| N15 | C71 | H83 | 108.5° | 109.5° |
| C71 | N15 | C70 | 120.0° | 120.0° |
| H82 | N15 | C70 | 120.0° | 120.0° |
| C72 | C71 | C73 | 109.9° | 109.5° |
| C72 | C71 | H83 | 107.9° | 109.4° |
| C71 | C72 | O17 | 119.2° | 119.9° |
| C71 | C72 | N16 | 117.3° | 120.1° |
| C73 | C71 | H83 | 108.0° | 109.5° |
| C71 | C73 | S2 | 108.7° | 109.5° |
| C71 | C73 | H84 | 109.7° | 109.5° |
| C71 | C73 | H85 | 109.7° | 109.5° |
| O17 | C72 | N16 | 123.5° | 120.0° |
| S2 | C73 | H84 | 109.7° | 109.4° |
| S2 | C73 | H85 | 109.7° | 109.5° |
| C73 | S2 | H86 | 102.0° | 102.9° |
| H84 | C73 | H85 | 109.4° | 109.5° |
| C74 | N16 | H87 | 120.0° | 120.0° |
| N16 | C74 | C75 | 117.0° | 109.5° |
| N16 | C74 | C76 | 109.7° | 109.5° |
| N16 | C74 | H88 | 106.3° | 109.5° |
| C74 | N16 | C72 | 119.9° | 120.0° |
| H87 | N16 | C72 | 120.1° | 120.0° |
| C75 | C74 | C76 | 111.8° | 109.5° |
| C75 | C74 | H88 | 105.7° | 109.5° |
| C74 | C75 | O18 | 120.6° | 120.0° |
| C74 | C75 | N17 | 118.5° | 120.0° |
| C76 | C74 | H88 | 105.5° | 109.5° |
| C74 | C76 | C77 | 109.7° | 109.5° |
| C74 | C76 | H89 | 109.4° | 109.4° |
| C74 | C76 | H90 | 109.4° | 109.5° |
| O18 | C75 | N17 | 121.0° | 120.0° |
| C77 | C76 | H89 | 109.4° | 109.5° |
| C77 | C76 | H90 | 109.4° | 109.5° |
| C76 | C77 | C78 | 121.7° | 119.9° |
| C76 | C77 | C79 | 119.9° | 119.9° |
| H89 | C76 | H90 | 109.5° | 109.5° |
| C78 | C77 | C79 | 118.3° | 120.1° |
| C77 | C78 | C80 | 120.6° | 120.0° |
| C77 | C78 | H91 | 119.7° | 120.0° |
| C77 | C79 | C81 | 121.3° | 120.1° |
| C77 | C79 | H92 | 119.3° | 119.9° |
| C80 | C78 | H91 | 119.7° | 120.0° |
| C78 | C80 | C82 | 119.1° | 120.0° |
| C78 | C80 | H93 | 120.4° | 120.0° |
| C81 | C79 | H92 | 119.3° | 120.0° |
| C79 | C81 | C82 | 119.5° | 119.9° |
| C79 | C81 | H94 | 120.2° | 120.1° |
| C82 | C80 | H93 | 120.4° | 120.0° |
| C80 | C82 | C81 | 121.1° | 119.9° |
| C80 | C82 | O19 | 121.5° | 120.1° |
| C82 | C81 | H94 | 120.2° | 120.0° |
| C81 | C82 | O19 | 117.3° | 120.1° |
| C82 | O19 | H95 | 109.5° | 114.0° |
| C83 | N17 | H96 | 121.0° | 120.0° |
| N17 | C83 | C84 | 112.9° | 109.5° |
| N17 | C83 | C85 | 110.7° | 109.4° |
| N17 | C83 | H97 | 108.0° | 109.5° |
| C83 | N17 | C75 | 118.1° | 120.0° |
| H96 | N17 | C75 | 120.9° | 119.9° |
| C84 | C83 | C85 | 110.8° | 109.5° |
| C84 | C83 | H97 | 107.1° | 109.5° |
| C83 | C84 | O20 | 120.2° | 120.0° |
| C83 | C84 | N19 | 116.3° | 120.0° |
| C85 | C83 | H97 | 107.0° | 109.4° |
| C83 | C85 | C86 | 112.2° | 109.5° |
| C83 | C85 | H98 | 108.8° | 109.4° |
| C83 | C85 | H99 | 108.8° | 109.5° |
| O20 | C84 | N19 | 123.5° | 120.0° |
| C86 | C85 | H98 | 108.8° | 109.4° |
| C86 | C85 | H99 | 108.8° | 109.5° |
| C85 | C86 | O21 | 120.5° | 120.0° |
| C85 | C86 | N18 | 116.8° | 120.0° |
| H98 | C85 | H99 | 109.5° | 109.5° |
| O21 | C86 | N18 | 122.7° | 120.0° |
| C86 | N18 | H100 | 120.0° | 120.0° |
| C86 | N18 | H101 | 120.0° | 120.0° |
| H100 | N18 | H101 | 120.0° | 120.0° |
| C87 | N19 | H102 | 118.5° | 120.0° |
| N19 | C87 | C88 | 108.0° | 109.5° |
| N19 | C87 | C89 | 107.6° | 109.5° |
| N19 | C87 | H103 | 109.4° | 109.5° |
| C87 | N19 | C84 | 123.1° | 120.0° |
| H102 | N19 | C84 | 118.4° | 120.0° |
| C88 | C87 | C89 | 115.8° | 109.5° |
| C88 | C87 | H103 | 108.0° | 109.5° |
| C87 | C88 | O22 | 120.1° | 120.0° |
| C87 | C88 | N20 | 117.9° | 120.0° |
| C89 | C87 | H103 | 107.9° | 109.5° |
| C87 | C89 | C90 | 112.4° | 109.5° |
| C87 | C89 | C91 | 111.9° | 109.5° |
| C87 | C89 | H104 | 104.8° | 109.5° |
| O22 | C88 | N20 | 122.0° | 120.0° |
| C90 | C89 | C91 | 116.1° | 109.4° |
| C90 | C89 | H104 | 105.1° | 109.5° |
| C89 | C90 | C92 | 113.7° | 109.5° |
| C89 | C90 | H105 | 108.4° | 109.4° |
| C89 | C90 | H106 | 108.4° | 109.5° |
| C91 | C89 | H104 | 105.4° | 109.5° |
| C89 | C91 | H107 | 109.5° | 109.5° |
| C89 | C91 | H108 | 109.5° | 109.4° |
| C89 | C91 | H109 | 109.5° | 109.5° |
| C92 | C90 | H105 | 108.4° | 109.4° |
| C92 | C90 | H106 | 108.4° | 109.5° |
| C90 | C92 | H110 | 109.5° | 109.5° |
| C90 | C92 | H111 | 109.5° | 109.5° |
| C90 | C92 | H112 | 109.5° | 109.5° |
| H105 | C90 | H106 | 109.5° | 109.5° |
| H107 | C91 | H108 | 109.5° | 109.5° |
| H107 | C91 | H109 | 109.4° | 109.5° |
| H108 | C91 | H109 | 109.5° | 109.5° |
| H110 | C92 | H111 | 109.4° | 109.5° |
| H110 | C92 | H112 | 109.5° | 109.5° |
| H111 | C92 | H112 | 109.5° | 109.4° |
| H113 | N20 | H114 | 120.0° | 120.0° |
| H113 | N20 | C88 | 120.0° | 119.9° |
| H114 | N20 | C88 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C1 | C2 | N1 | 90.0° | 179.7° |
| O1 | C1 | C2 | H1 | 90.0° | 90.0° |
| O1 | C1 | C2 | H2 | 90.0° | 150.0° |
| O1 | C1 | C2 | H3 | 90.0° | 30.0° |
| O1 | C1 | N1 | C3 | 90.0° | 0.1° |
| O1 | C1 | N1 | C6 | 90.0° | 179.7° |
| C1 | C2 | H1 | H2 | 90.0° | 120.0° |
| C1 | C2 | H1 | H3 | 90.0° | 120.0° |
| C1 | C2 | H2 | H3 | 90.0° | 120.0° |
| C2 | C1 | N1 | C3 | 90.0° | 179.7° |
| C2 | C1 | N1 | C6 | 90.0° | 0.6° |
| H1 | C2 | H2 | H3 | 90.0° | 120.0° |
| H1 | C2 | C1 | N1 | 90.0° | 89.7° |
| H2 | C2 | C1 | N1 | 90.0° | 30.3° |
| H3 | C2 | C1 | N1 | 90.0° | 150.3° |
| C3 | N1 | C6 | C1 | 131.4° | 179.7° |
| N1 | C3 | C4 | C7 | 116.3° | 119.4° |
| N1 | C3 | C4 | H4 | 120.0° | 119.4° |
| N1 | C3 | C7 | H4 | 124.3° | 121.1° |
| N1 | C3 | C4 | C5 | 24.8° | 22.2° |
| N1 | C3 | C4 | H5 | 94.5° | 140.6° |
| N1 | C3 | C4 | H6 | 144.1° | 96.2° |
| C3 | N1 | C6 | C5 | 31.6° | 24.4° |
| C3 | N1 | C6 | H9 | 87.3° | 94.4° |
| C3 | N1 | C6 | H10 | 150.5° | 143.2° |
| N1 | C3 | C7 | O2 | 69.5° | 18.6° |
| N1 | C3 | C7 | N2 | 109.8° | 161.4° |
| C6 | N1 | C3 | C4 | 36.2° | 1.3° |
| C6 | N1 | C3 | C7 | 81.0° | 118.1° |
| C6 | N1 | C3 | H4 | 155.3° | 120.8° |
| N1 | C6 | C5 | C4 | 13.6° | 37.3° |
| N1 | C6 | C5 | H9 | 118.9° | 118.8° |
| N1 | C6 | C5 | H10 | 118.9° | 118.8° |
| N1 | C6 | C5 | H7 | 106.0° | 80.8° |
| N1 | C6 | C5 | H8 | 133.3° | 155.3° |
| N1 | C6 | H9 | H10 | 123.1° | 122.3° |
| C4 | C3 | C7 | H4 | 123.7° | 121.1° |
| C3 | C4 | C5 | H5 | 119.3° | 118.4° |
| C3 | C4 | C5 | H6 | 119.3° | 118.4° |
| C3 | C4 | H5 | H6 | 122.1° | 123.2° |
| C3 | C4 | C5 | C6 | 6.9° | 35.7° |
| C3 | C4 | C5 | H7 | 126.6° | 82.5° |
| C3 | C4 | C5 | H8 | 112.8° | 153.6° |
| C4 | C3 | C7 | O2 | 178.5° | 99.2° |
| C4 | C3 | N1 | C1 | 145.0° | 179.0° |
| C4 | C3 | C7 | N2 | 2.3° | 80.8° |
| C7 | C3 | C4 | C5 | 91.5° | 141.6° |
| C7 | C3 | C4 | H5 | 149.2° | 100.0° |
| C7 | C3 | C4 | H6 | 27.8° | 23.2° |
| C3 | C7 | O2 | N2 | 179.2° | 180.0° |
| C3 | C7 | N2 | C8 | 175.9° | 180.0° |
| C3 | C7 | N2 | H11 | 4.1° | 0.0° |
| C7 | C3 | N1 | C1 | 27.8° | 61.5° |
| H4 | C3 | C4 | C5 | 144.7° | 97.2° |
| H4 | C3 | C4 | H5 | 25.5° | 21.2° |
| H4 | C3 | C4 | H6 | 96.0° | 144.4° |
| H4 | C3 | C7 | O2 | 54.8° | 139.7° |
| H4 | C3 | N1 | C1 | 95.8° | 59.6° |
| H4 | C3 | C7 | N2 | 126.0° | 40.4° |
| C5 | C4 | H5 | H6 | 122.1° | 123.3° |
| C4 | C5 | C6 | H7 | 119.7° | 118.1° |
| C4 | C5 | C6 | H8 | 119.6° | 118.0° |
| C4 | C5 | H7 | H8 | 121.0° | 123.9° |
| C4 | C5 | C6 | H9 | 105.3° | 81.5° |
| C4 | C5 | C6 | H10 | 132.5° | 156.1° |
| H5 | C4 | C5 | C6 | 112.4° | 154.0° |
| H5 | C4 | C5 | H7 | 7.3° | 35.8° |
| H5 | C4 | C5 | H8 | 128.0° | 88.1° |
| H6 | C4 | C5 | C6 | 126.2° | 82.7° |
| H6 | C4 | C5 | H7 | 114.2° | 159.1° |
| H6 | C4 | C5 | H8 | 6.5° | 35.2° |
| C6 | C5 | H7 | H8 | 121.1° | 123.9° |
| C5 | C6 | H9 | H10 | 123.1° | 122.3° |
| C5 | C6 | N1 | C1 | 163.0° | 155.9° |
| H7 | C5 | C6 | H9 | 135.1° | 160.4° |
| H7 | C5 | C6 | H10 | 12.9° | 38.0° |
| H8 | C5 | C6 | H9 | 14.4° | 36.5° |
| H8 | C5 | C6 | H10 | 107.8° | 85.9° |
| H9 | C6 | N1 | C1 | 44.1° | 85.2° |
| H10 | C6 | N1 | C1 | 78.1° | 37.1° |
| O2 | C7 | N2 | C8 | 3.3° | 0.0° |
| O2 | C7 | N2 | H11 | 176.7° | 180.0° |
| C8 | N2 | H11 | C7 | 180.0° | 180.0° |
| N2 | C8 | C9 | C18 | 124.2° | 120.0° |
| N2 | C8 | C9 | H12 | 118.7° | 120.0° |
| N2 | C8 | C18 | H12 | 119.4° | 120.0° |
| N2 | C8 | C9 | C10 | 155.5° | 65.0° |
| N2 | C8 | C9 | H13 | 34.8° | 175.0° |
| N2 | C8 | C9 | H14 | 83.9° | 55.0° |
| N2 | C8 | C18 | O3 | 145.6° | 0.0° |
| N2 | C8 | C18 | N4 | 35.0° | 180.0° |
| H11 | N2 | C8 | C9 | 2.1° | 95.0° |
| H11 | N2 | C8 | C18 | 125.1° | 25.0° |
| H11 | N2 | C8 | H12 | 116.0° | 145.0° |
| C9 | C8 | C18 | H12 | 117.1° | 120.0° |
| C8 | C9 | C10 | H13 | 120.7° | 120.0° |
| C8 | C9 | C10 | H14 | 120.7° | 120.0° |
| C8 | C9 | H13 | H14 | 118.0° | 120.0° |
| C8 | C9 | C10 | C11 | 92.4° | 94.9° |
| C8 | C9 | C10 | C17 | 87.6° | 84.7° |
| C9 | C8 | C18 | O3 | 90.9° | 120.0° |
| C9 | C8 | N2 | C7 | 177.9° | 85.0° |
| C9 | C8 | C18 | N4 | 88.5° | 60.1° |
| C18 | C8 | C9 | C10 | 31.3° | 175.0° |
| C18 | C8 | C9 | H13 | 89.3° | 55.0° |
| C18 | C8 | C9 | H14 | 152.0° | 65.0° |
| C8 | C18 | O3 | N4 | 179.4° | 179.9° |
| C8 | C18 | N4 | C19 | 178.9° | 180.0° |
| C8 | C18 | N4 | H21 | 1.1° | 0.1° |
| C18 | C8 | N2 | C7 | 54.9° | 155.0° |
| H12 | C8 | C9 | C10 | 85.8° | 55.0° |
| H12 | C8 | C9 | H13 | 153.5° | 65.0° |
| H12 | C8 | C9 | H14 | 34.8° | 175.0° |
| H12 | C8 | C18 | O3 | 26.2° | 120.0° |
| H12 | C8 | N2 | C7 | 64.0° | 34.9° |
| H12 | C8 | C18 | N4 | 154.4° | 59.9° |
| C10 | C9 | H13 | H14 | 117.9° | 120.0° |
| C9 | C10 | C11 | C17 | 180.0° | 179.7° |
| C9 | C10 | C11 | N3 | 180.0° | 179.9° |
| C9 | C10 | C11 | H15 | 0.0° | 0.2° |
| C9 | C10 | C17 | C12 | 180.0° | 179.9° |
| C9 | C10 | C17 | C16 | 0.0° | 0.8° |
| H13 | C9 | C10 | C11 | 146.9° | 145.1° |
| H13 | C9 | C10 | C17 | 33.1° | 35.4° |
| H14 | C9 | C10 | C11 | 28.3° | 25.1° |
| H14 | C9 | C10 | C17 | 151.7° | 155.3° |
| C10 | C11 | N3 | H15 | 180.0° | 179.9° |
| C10 | C11 | N3 | C12 | 0.0° | 0.0° |
| C10 | C11 | N3 | H16 | 180.0° | 180.0° |
| C11 | C10 | C17 | C12 | 0.0° | 0.5° |
| C11 | C10 | C17 | C16 | 180.0° | 179.6° |
| C17 | C10 | C11 | N3 | 0.0° | 0.3° |
| C17 | C10 | C11 | H15 | 180.0° | 179.8° |
| C10 | C17 | C12 | N3 | 0.0° | 0.5° |
| C10 | C17 | C12 | C13 | 179.8° | 179.9° |
| C10 | C17 | C12 | C16 | 180.0° | 179.3° |
| C10 | C17 | C16 | C15 | 179.7° | 179.6° |
| C10 | C17 | C16 | H20 | 0.3° | 0.7° |
| C11 | N3 | C12 | H16 | 180.0° | 180.0° |
| C11 | N3 | C12 | C13 | 179.8° | 179.9° |
| C11 | N3 | C12 | C17 | 0.0° | 0.3° |
| H15 | C11 | N3 | C12 | 180.0° | 179.9° |
| H15 | C11 | N3 | H16 | 0.0° | 0.1° |
| N3 | C12 | C13 | C17 | 179.8° | 179.6° |
| N3 | C12 | C13 | C14 | 179.8° | 179.9° |
| N3 | C12 | C13 | H17 | 0.1° | 0.1° |
| N3 | C12 | C17 | C16 | 180.0° | 179.7° |
| H16 | N3 | C12 | C13 | 0.2° | 0.1° |
| H16 | N3 | C12 | C17 | 180.0° | 179.7° |
| C12 | C13 | C14 | H17 | 180.0° | 179.9° |
| C12 | C13 | C14 | C15 | 0.1° | 0.1° |
| C12 | C13 | C14 | H18 | 179.9° | 180.0° |
| C13 | C12 | C17 | C16 | 0.2° | 0.6° |
| C17 | C12 | C13 | C14 | 0.1° | 0.3° |
| C17 | C12 | C13 | H17 | 179.9° | 179.7° |
| C12 | C17 | C16 | C15 | 0.3° | 0.6° |
| C12 | C17 | C16 | H20 | 179.7° | 179.7° |
| C13 | C14 | C15 | H18 | 180.0° | 180.0° |
| C13 | C14 | C15 | C16 | 0.3° | 0.0° |
| C13 | C14 | C15 | H19 | 179.8° | 180.0° |
| H17 | C13 | C14 | C15 | 179.8° | 180.0° |
| H17 | C13 | C14 | H18 | 0.2° | 0.0° |
| C14 | C15 | C16 | H19 | 180.0° | 179.9° |
| C14 | C15 | C16 | C17 | 0.4° | 0.3° |
| C14 | C15 | C16 | H20 | 179.7° | 180.0° |
| H18 | C14 | C15 | C16 | 179.7° | 180.0° |
| H18 | C14 | C15 | H19 | 0.2° | 0.1° |
| C15 | C16 | C17 | H20 | 180.0° | 179.7° |
| H19 | C15 | C16 | C17 | 179.7° | 179.7° |
| H19 | C15 | C16 | H20 | 0.3° | 0.0° |
| O3 | C18 | N4 | C19 | 1.7° | 0.1° |
| O3 | C18 | N4 | H21 | 178.3° | 180.0° |
| C19 | N4 | H21 | C18 | 180.0° | 179.9° |
| N4 | C19 | C20 | C21 | 129.4° | 120.0° |
| N4 | C19 | C20 | H22 | 116.1° | 120.0° |
| N4 | C19 | C21 | H22 | 117.0° | 120.0° |
| N4 | C19 | C20 | O4 | 132.6° | 0.0° |
| N4 | C19 | C21 | C22 | 179.2° | 65.0° |
| N4 | C19 | C21 | H23 | 59.0° | 175.0° |
| N4 | C19 | C21 | H24 | 60.6° | 55.0° |
| N4 | C19 | C20 | N5 | 47.2° | 180.0° |
| H21 | N4 | C19 | C20 | 115.2° | 24.9° |
| H21 | N4 | C19 | C21 | 12.7° | 95.1° |
| H21 | N4 | C19 | H22 | 129.2° | 144.9° |
| C20 | C19 | C21 | H22 | 114.5° | 120.0° |
| C19 | C20 | O4 | N5 | 179.8° | 180.0° |
| C20 | C19 | C21 | C22 | 50.7° | 175.0° |
| C20 | C19 | C21 | H23 | 69.5° | 55.0° |
| C20 | C19 | C21 | H24 | 170.9° | 65.0° |
| C19 | C20 | N5 | C24 | 177.1° | 175.1° |
| C19 | C20 | N5 | H28 | 2.9° | 5.0° |
| C20 | C19 | N4 | C18 | 64.9° | 155.0° |
| C21 | C19 | C20 | O4 | 98.0° | 120.0° |
| C19 | C21 | C22 | H23 | 120.2° | 120.0° |
| C19 | C21 | C22 | H24 | 120.2° | 120.0° |
| C19 | C21 | H23 | H24 | 119.5° | 120.0° |
| C19 | C21 | C22 | C23 | 159.4° | 180.0° |
| C19 | C21 | C22 | H25 | 38.5° | 60.0° |
| C19 | C21 | C22 | H26 | 79.7° | 60.0° |
| C21 | C19 | N4 | C18 | 167.3° | 85.0° |
| C21 | C19 | C20 | N5 | 82.2° | 60.0° |
| H22 | C19 | C20 | O4 | 16.5° | 120.0° |
| H22 | C19 | C21 | C22 | 63.9° | 55.0° |
| H22 | C19 | C21 | H23 | 176.0° | 65.0° |
| H22 | C19 | C21 | H24 | 56.3° | 175.0° |
| H22 | C19 | N4 | C18 | 50.8° | 35.0° |
| H22 | C19 | C20 | N5 | 163.3° | 60.0° |
| O4 | C20 | N5 | C24 | 2.7° | 4.9° |
| O4 | C20 | N5 | H28 | 177.3° | 175.0° |
| C22 | C21 | H23 | H24 | 119.5° | 120.0° |
| C21 | C22 | C23 | H25 | 120.9° | 120.0° |
| C21 | C22 | C23 | H26 | 120.9° | 119.9° |
| C21 | C22 | H25 | H26 | 117.3° | 120.0° |
| C21 | C22 | C23 | O5 | 171.2° | 0.0° |
| C21 | C22 | C23 | O6 | 8.9° | 180.0° |
| H23 | C21 | C22 | C23 | 80.4° | 60.0° |
| H23 | C21 | C22 | H25 | 158.7° | 180.0° |
| H23 | C21 | C22 | H26 | 40.5° | 60.0° |
| H24 | C21 | C22 | C23 | 39.2° | 60.0° |
| H24 | C21 | C22 | H25 | 81.7° | 60.0° |
| H24 | C21 | C22 | H26 | 160.1° | 180.0° |
| C23 | C22 | H25 | H26 | 117.2° | 120.0° |
| C22 | C23 | O5 | O6 | 179.9° | 180.0° |
| C22 | C23 | O6 | H27 | 179.9° | 180.0° |
| H25 | C22 | C23 | O5 | 50.3° | 119.9° |
| H25 | C22 | C23 | O6 | 129.8° | 60.0° |
| H26 | C22 | C23 | O5 | 67.9° | 120.0° |
| H26 | C22 | C23 | O6 | 112.0° | 60.0° |
| O5 | C23 | O6 | H27 | 0.0° | 0.0° |
| C24 | N5 | H28 | C20 | 180.0° | 180.0° |
| N5 | C24 | C25 | C26 | 122.0° | 120.0° |
| N5 | C24 | C25 | H29 | 119.7° | 120.0° |
| N5 | C24 | C26 | H29 | 122.2° | 119.9° |
| N5 | C24 | C25 | O7 | 132.0° | 0.0° |
| N5 | C24 | C26 | C27 | 84.4° | 65.8° |
| N5 | C24 | C26 | H30 | 155.0° | 174.1° |
| N5 | C24 | C26 | H31 | 36.2° | 54.2° |
| N5 | C24 | C25 | N6 | 48.1° | 180.0° |
| H28 | N5 | C24 | C25 | 125.3° | 94.1° |
| H28 | N5 | C24 | C26 | 6.2° | 26.0° |
| H28 | N5 | C24 | H29 | 115.5° | 145.9° |
| C25 | C24 | C26 | H29 | 118.4° | 120.0° |
| C24 | C25 | O7 | N6 | 179.9° | 180.0° |
| C25 | C24 | C26 | C27 | 156.3° | 174.2° |
| C25 | C24 | C26 | H30 | 35.7° | 54.1° |
| C25 | C24 | C26 | H31 | 83.1° | 65.8° |
| C24 | C25 | N6 | C28 | 176.8° | 180.0° |
| C24 | C25 | N6 | H33 | 3.3° | 0.0° |
| C25 | C24 | N5 | C20 | 54.8° | 85.9° |
| C26 | C24 | C25 | O7 | 106.0° | 120.1° |
| C24 | C26 | C27 | H30 | 120.6° | 120.1° |
| C24 | C26 | C27 | H31 | 120.6° | 120.0° |
| C24 | C26 | H30 | H31 | 118.2° | 120.0° |
| C24 | C26 | C27 | O8 | 141.9° | 4.1° |
| C24 | C26 | C27 | O9 | 39.5° | 175.9° |
| C26 | C24 | N5 | C20 | 173.8° | 154.1° |
| C26 | C24 | C25 | N6 | 74.0° | 60.0° |
| H29 | C24 | C25 | O7 | 12.3° | 120.0° |
| H29 | C24 | C26 | C27 | 37.8° | 54.2° |
| H29 | C24 | C26 | H30 | 82.8° | 65.9° |
| H29 | C24 | C26 | H31 | 158.4° | 174.2° |
| H29 | C24 | N5 | C20 | 64.5° | 34.2° |
| H29 | C24 | C25 | N6 | 167.8° | 60.0° |
| O7 | C25 | N6 | C28 | 3.1° | 0.0° |
| O7 | C25 | N6 | H33 | 176.8° | 179.9° |
| C27 | C26 | H30 | H31 | 118.2° | 120.0° |
| C26 | C27 | O8 | O9 | 178.5° | 180.0° |
| C26 | C27 | O9 | H32 | 178.6° | 180.0° |
| H30 | C26 | C27 | O8 | 21.3° | 124.2° |
| H30 | C26 | C27 | O9 | 160.1° | 55.8° |
| H31 | C26 | C27 | O8 | 97.6° | 115.8° |
| H31 | C26 | C27 | O9 | 81.1° | 64.1° |
| O8 | C27 | O9 | H32 | 0.0° | 0.0° |
| C28 | N6 | H33 | C25 | 180.0° | 180.0° |
| N6 | C28 | C29 | C30 | 121.7° | 120.0° |
| N6 | C28 | C29 | H34 | 119.9° | 120.0° |
| N6 | C28 | C30 | H34 | 119.6° | 120.0° |
| N6 | C28 | C29 | O10 | 136.4° | 0.0° |
| N6 | C28 | C30 | S1 | 67.1° | 65.0° |
| N6 | C28 | C30 | H35 | 172.7° | 175.0° |
| N6 | C28 | C30 | H36 | 53.1° | 55.0° |
| N6 | C28 | C29 | N7 | 43.1° | 180.0° |
| H33 | N6 | C28 | C29 | 116.7° | 25.0° |
| H33 | N6 | C28 | C30 | 4.7° | 95.0° |
| H33 | N6 | C28 | H34 | 123.8° | 145.0° |
| C29 | C28 | C30 | H34 | 118.6° | 119.9° |
| C28 | C29 | O10 | N7 | 179.5° | 180.0° |
| C29 | C28 | C30 | S1 | 171.2° | 175.0° |
| C29 | C28 | C30 | H35 | 50.9° | 54.9° |
| C29 | C28 | C30 | H36 | 68.6° | 65.0° |
| C28 | C29 | N7 | C31 | 176.7° | 180.0° |
| C28 | C29 | N7 | H38 | 3.3° | 0.0° |
| C29 | C28 | N6 | C25 | 63.3° | 155.0° |
| C30 | C28 | C29 | O10 | 101.9° | 120.0° |
| C28 | C30 | S1 | H35 | 120.2° | 120.1° |
| C28 | C30 | S1 | H36 | 120.2° | 120.0° |
| C28 | C30 | H35 | H36 | 119.3° | 120.0° |
| C28 | C30 | S1 | H37 | 180.0° | 180.0° |
| C30 | C28 | N6 | C25 | 175.3° | 85.0° |
| C30 | C28 | C29 | N7 | 78.6° | 60.0° |
| H34 | C28 | C29 | O10 | 16.5° | 120.0° |
| H34 | C28 | C30 | S1 | 52.5° | 55.0° |
| H34 | C28 | C30 | H35 | 67.7° | 65.0° |
| H34 | C28 | C30 | H36 | 172.8° | 175.0° |
| H34 | C28 | N6 | C25 | 56.2° | 35.0° |
| H34 | C28 | C29 | N7 | 163.0° | 60.0° |
| O10 | C29 | N7 | C31 | 3.8° | 0.0° |
| O10 | C29 | N7 | H38 | 176.2° | 180.0° |
| S1 | C30 | H35 | H36 | 119.3° | 120.0° |
| H35 | C30 | S1 | H37 | 59.8° | 60.0° |
| H36 | C30 | S1 | H37 | 59.8° | 60.0° |
| C31 | N7 | H38 | C29 | 180.0° | 180.0° |
| N7 | C31 | C32 | C33 | 123.3° | 120.0° |
| N7 | C31 | C32 | H39 | 118.9° | 120.1° |
| N7 | C31 | C33 | H39 | 119.3° | 120.0° |
| N7 | C31 | C32 | H40 | 180.0° | 60.0° |
| N7 | C31 | C32 | H41 | 60.0° | 180.0° |
| N7 | C31 | C32 | H42 | 60.0° | 60.0° |
| N7 | C31 | C33 | O11 | 134.9° | 0.1° |
| N7 | C31 | C33 | N8 | 44.3° | 180.0° |
| H38 | N7 | C31 | C32 | 4.8° | 95.0° |
| H38 | N7 | C31 | C33 | 117.8° | 25.0° |
| H38 | N7 | C31 | H39 | 123.4° | 144.9° |
| C32 | C31 | C33 | H39 | 117.9° | 120.0° |
| C31 | C32 | H40 | H41 | 120.0° | 120.0° |
| C31 | C32 | H40 | H42 | 120.0° | 120.0° |
| C31 | C32 | H41 | H42 | 120.0° | 120.0° |
| C32 | C31 | C33 | O11 | 102.3° | 120.0° |
| C32 | C31 | N7 | C29 | 175.2° | 85.0° |
| C32 | C31 | C33 | N8 | 78.5° | 59.9° |
| C33 | C31 | C32 | H40 | 56.7° | 180.0° |
| C33 | C31 | C32 | H41 | 63.3° | 60.0° |
| C33 | C31 | C32 | H42 | 176.7° | 60.0° |
| C31 | C33 | O11 | N8 | 179.2° | 179.9° |
| C31 | C33 | N8 | C34 | 179.7° | 180.0° |
| C31 | C33 | N8 | H43 | 0.4° | 0.1° |
| C33 | C31 | N7 | C29 | 62.2° | 155.0° |
| H39 | C31 | C32 | H40 | 61.1° | 60.1° |
| H39 | C31 | C32 | H41 | 178.9° | 59.9° |
| H39 | C31 | C32 | H42 | 58.9° | 179.9° |
| H39 | C31 | C33 | O11 | 15.6° | 120.1° |
| H39 | C31 | N7 | C29 | 56.7° | 35.1° |
| H39 | C31 | C33 | N8 | 163.6° | 60.0° |
| H40 | C32 | H41 | H42 | 120.0° | 120.0° |
| O11 | C33 | N8 | C34 | 0.5° | 0.1° |
| O11 | C33 | N8 | H43 | 179.6° | 179.9° |
| C34 | N8 | H43 | C33 | 180.0° | 180.0° |
| N8 | C34 | C35 | C44 | 124.7° | 120.0° |
| N8 | C34 | C35 | H44 | 119.4° | 119.9° |
| N8 | C34 | C44 | H44 | 120.2° | 120.0° |
| N8 | C34 | C35 | C36 | 66.5° | 65.0° |
| N8 | C34 | C35 | H45 | 172.9° | 175.0° |
| N8 | C34 | C35 | H46 | 54.2° | 55.0° |
| N8 | C34 | C44 | O12 | 149.7° | 0.0° |
| N8 | C34 | C44 | N10 | 33.2° | 180.0° |
| H43 | N8 | C34 | C35 | 13.2° | 95.0° |
| H43 | N8 | C34 | C44 | 108.9° | 25.0° |
| H43 | N8 | C34 | H44 | 131.7° | 145.0° |
| C35 | C34 | C44 | H44 | 115.8° | 120.1° |
| C34 | C35 | C36 | H45 | 120.6° | 119.9° |
| C34 | C35 | C36 | H46 | 120.6° | 120.1° |
| C34 | C35 | H45 | H46 | 118.0° | 120.0° |
| C34 | C35 | C36 | C37 | 119.1° | 95.0° |
| C34 | C35 | C36 | C43 | 61.3° | 84.7° |
| C35 | C34 | C44 | O12 | 86.2° | 119.9° |
| C35 | C34 | N8 | C33 | 166.8° | 85.0° |
| C35 | C34 | C44 | N10 | 90.9° | 60.0° |
| C44 | C34 | C35 | C36 | 168.9° | 175.0° |
| C44 | C34 | C35 | H45 | 48.2° | 55.0° |
| C44 | C34 | C35 | H46 | 70.5° | 65.0° |
| C34 | C44 | O12 | N10 | 177.0° | 179.9° |
| C34 | C44 | N10 | C45 | 178.7° | 180.0° |
| C34 | C44 | N10 | H53 | 1.3° | 0.0° |
| C44 | C34 | N8 | C33 | 71.1° | 155.0° |
| H44 | C34 | C35 | C36 | 52.9° | 54.9° |
| H44 | C34 | C35 | H45 | 67.7° | 65.1° |
| H44 | C34 | C35 | H46 | 173.6° | 174.9° |
| H44 | C34 | C44 | O12 | 29.6° | 120.0° |
| H44 | C34 | N8 | C33 | 48.3° | 35.0° |
| H44 | C34 | C44 | N10 | 153.4° | 60.0° |
| C36 | C35 | H45 | H46 | 118.0° | 120.0° |
| C35 | C36 | C37 | C43 | 179.7° | 179.8° |
| C35 | C36 | C37 | N9 | 178.9° | 180.0° |
| C35 | C36 | C37 | H47 | 1.1° | 0.1° |
| C35 | C36 | C43 | C38 | 179.4° | 179.9° |
| C35 | C36 | C43 | C42 | 1.7° | 0.7° |
| H45 | C35 | C36 | C37 | 120.2° | 145.0° |
| H45 | C35 | C36 | C43 | 59.4° | 35.2° |
| H46 | C35 | C36 | C37 | 1.5° | 25.0° |
| H46 | C35 | C36 | C43 | 178.1° | 155.2° |
| C36 | C37 | N9 | H47 | 180.0° | 179.9° |
| C36 | C37 | N9 | C38 | 1.0° | 0.1° |
| C36 | C37 | N9 | H48 | 179.0° | 179.9° |
| C37 | C36 | C43 | C38 | 0.2° | 0.3° |
| C37 | C36 | C43 | C42 | 178.7° | 179.5° |
| C43 | C36 | C37 | N9 | 0.7° | 0.2° |
| C43 | C36 | C37 | H47 | 179.3° | 179.8° |
| C36 | C43 | C38 | N9 | 0.4° | 0.3° |
| C36 | C43 | C38 | C39 | 179.8° | 179.9° |
| C36 | C43 | C38 | C42 | 179.1° | 179.3° |
| C36 | C43 | C42 | C41 | 180.0° | 179.7° |
| C36 | C43 | C42 | H52 | 0.0° | 0.6° |
| C37 | N9 | C38 | H48 | 180.0° | 179.9° |
| C37 | N9 | C38 | C39 | 179.8° | 180.0° |
| C37 | N9 | C38 | C43 | 0.8° | 0.2° |
| H47 | C37 | N9 | C38 | 179.0° | 180.0° |
| H47 | C37 | N9 | H48 | 1.0° | 0.2° |
| N9 | C38 | C39 | C43 | 179.3° | 179.8° |
| N9 | C38 | C39 | C40 | 179.3° | 180.0° |
| N9 | C38 | C39 | H49 | 0.7° | 0.0° |
| N9 | C38 | C43 | C42 | 179.5° | 179.6° |
| H48 | N9 | C38 | C39 | 0.3° | 0.1° |
| H48 | N9 | C38 | C43 | 179.2° | 179.7° |
| C38 | C39 | C40 | H49 | 180.0° | 180.0° |
| C38 | C39 | C40 | C41 | 1.8° | 0.0° |
| C38 | C39 | C40 | H50 | 178.2° | 179.9° |
| C39 | C38 | C43 | C42 | 1.1° | 0.5° |
| C43 | C38 | C39 | C40 | 1.3° | 0.2° |
| C43 | C38 | C39 | H49 | 178.6° | 179.8° |
| C38 | C43 | C42 | C41 | 1.2° | 0.6° |
| C38 | C43 | C42 | H52 | 178.8° | 179.7° |
| C39 | C40 | C41 | H50 | 180.0° | 179.9° |
| C39 | C40 | C41 | C42 | 2.0° | 0.0° |
| C39 | C40 | C41 | H51 | 178.0° | 180.0° |
| H49 | C39 | C40 | C41 | 178.2° | 179.9° |
| H49 | C39 | C40 | H50 | 1.8° | 0.0° |
| C40 | C41 | C42 | H51 | 180.0° | 180.0° |
| C40 | C41 | C42 | C43 | 1.6° | 0.3° |
| C40 | C41 | C42 | H52 | 178.4° | 180.0° |
| H50 | C40 | C41 | C42 | 178.0° | 179.9° |
| H50 | C40 | C41 | H51 | 2.0° | 0.1° |
| C41 | C42 | C43 | H52 | 180.0° | 179.7° |
| H51 | C41 | C42 | C43 | 178.4° | 179.7° |
| H51 | C41 | C42 | H52 | 1.7° | 0.0° |
| O12 | C44 | N10 | C45 | 4.4° | 0.1° |
| O12 | C44 | N10 | H53 | 175.6° | 180.0° |
| C45 | N10 | H53 | C44 | 180.0° | 180.0° |
| N10 | C45 | C46 | C47 | 122.8° | 120.0° |
| N10 | C45 | C46 | H54 | 119.0° | 120.0° |
| N10 | C45 | C47 | H54 | 120.6° | 120.0° |
| N10 | C45 | C46 | O13 | 136.1° | 0.0° |
| N10 | C45 | C47 | C48 | 80.3° | 65.0° |
| N10 | C45 | C47 | H55 | 159.0° | 175.0° |
| N10 | C45 | C47 | H56 | 40.4° | 55.0° |
| N10 | C45 | C46 | N11 | 42.8° | 179.9° |
| H53 | N10 | C45 | C46 | 116.7° | 25.0° |
| H53 | N10 | C45 | C47 | 4.9° | 95.0° |
| H53 | N10 | C45 | H54 | 124.9° | 145.0° |
| C46 | C45 | C47 | H54 | 118.2° | 120.0° |
| C45 | C46 | O13 | N11 | 178.9° | 179.9° |
| C46 | C45 | C47 | C48 | 158.5° | 175.0° |
| C46 | C45 | C47 | H55 | 37.7° | 55.1° |
| C46 | C45 | C47 | H56 | 80.8° | 65.0° |
| C45 | C46 | N11 | C54 | 179.9° | 180.0° |
| C45 | C46 | N11 | H62 | 0.1° | 0.1° |
| C46 | C45 | N10 | C44 | 63.3° | 155.1° |
| C47 | C45 | C46 | O13 | 101.1° | 120.0° |
| C45 | C47 | C48 | H55 | 120.7° | 120.0° |
| C45 | C47 | C48 | H56 | 120.7° | 120.0° |
| C45 | C47 | H55 | H56 | 117.9° | 120.0° |
| C45 | C47 | C48 | C49 | 47.9° | 89.9° |
| C45 | C47 | C48 | C50 | 135.6° | 90.3° |
| C47 | C45 | N10 | C44 | 175.1° | 85.0° |
| C47 | C45 | C46 | N11 | 80.0° | 60.1° |
| H54 | C45 | C46 | O13 | 17.1° | 120.0° |
| H54 | C45 | C47 | C48 | 40.3° | 55.0° |
| H54 | C45 | C47 | H55 | 80.4° | 64.9° |
| H54 | C45 | C47 | H56 | 161.0° | 175.0° |
| H54 | C45 | N10 | C44 | 55.1° | 35.1° |
| H54 | C45 | C46 | N11 | 161.9° | 60.0° |
| O13 | C46 | N11 | C54 | 0.9° | 0.1° |
| O13 | C46 | N11 | H62 | 179.1° | 180.0° |
| C48 | C47 | H55 | H56 | 117.9° | 120.0° |
| C47 | C48 | C49 | C50 | 176.5° | 179.8° |
| C47 | C48 | C49 | C51 | 178.3° | 180.0° |
| C47 | C48 | C49 | H57 | 1.7° | 0.1° |
| C47 | C48 | C50 | C52 | 177.4° | 180.0° |
| C47 | C48 | C50 | H58 | 2.5° | 0.1° |
| H55 | C47 | C48 | C49 | 72.8° | 30.0° |
| H55 | C47 | C48 | C50 | 103.7° | 149.8° |
| H56 | C47 | C48 | C49 | 168.6° | 150.0° |
| H56 | C47 | C48 | C50 | 14.9° | 29.8° |
| C48 | C49 | C51 | H57 | 180.0° | 179.9° |
| C49 | C48 | C50 | C52 | 0.9° | 0.2° |
| C49 | C48 | C50 | H58 | 179.1° | 179.7° |
| C48 | C49 | C51 | C53 | 0.5° | 0.1° |
| C48 | C49 | C51 | H59 | 179.5° | 180.0° |
| C50 | C48 | C49 | C51 | 1.8° | 0.2° |
| C50 | C48 | C49 | H57 | 178.2° | 179.7° |
| C48 | C50 | C52 | H58 | 180.0° | 179.9° |
| C48 | C50 | C52 | C53 | 1.3° | 0.0° |
| C48 | C50 | C52 | H60 | 178.6° | 179.9° |
| C49 | C51 | C53 | H59 | 180.0° | 179.9° |
| C49 | C51 | C53 | C52 | 1.7° | 0.3° |
| C49 | C51 | C53 | H61 | 178.3° | 180.0° |
| H57 | C49 | C51 | C53 | 179.5° | 180.0° |
| H57 | C49 | C51 | H59 | 0.6° | 0.1° |
| C50 | C52 | C53 | C51 | 2.6° | 0.3° |
| C50 | C52 | C53 | H60 | 180.0° | 180.0° |
| C50 | C52 | C53 | H61 | 177.4° | 180.0° |
| H58 | C50 | C52 | C53 | 178.7° | 179.9° |
| H58 | C50 | C52 | H60 | 1.4° | 0.0° |
| C51 | C53 | C52 | H61 | 180.0° | 179.7° |
| C51 | C53 | C52 | H60 | 177.3° | 179.7° |
| H59 | C51 | C53 | C52 | 178.3° | 179.8° |
| H59 | C51 | C53 | H61 | 1.7° | 0.1° |
| H60 | C52 | C53 | H61 | 2.7° | 0.0° |
| C54 | N11 | H62 | C46 | 180.0° | 179.9° |
| N11 | C54 | C55 | C56 | 121.7° | 120.0° |
| N11 | C54 | C55 | H63 | 119.3° | 119.9° |
| N11 | C54 | C56 | H63 | 118.6° | 120.1° |
| N11 | C54 | C55 | H64 | 180.0° | 60.0° |
| N11 | C54 | C55 | H65 | 60.0° | 180.0° |
| N11 | C54 | C55 | H66 | 60.0° | 60.0° |
| N11 | C54 | C56 | O14 | 135.8° | 0.1° |
| N11 | C54 | C56 | N12 | 43.1° | 180.0° |
| H62 | N11 | C54 | C55 | 5.6° | 95.0° |
| H62 | N11 | C54 | C56 | 116.9° | 24.9° |
| H62 | N11 | C54 | H63 | 124.8° | 145.0° |
| C55 | C54 | C56 | H63 | 119.3° | 120.0° |
| C54 | C55 | H64 | H65 | 120.0° | 120.0° |
| C54 | C55 | H64 | H66 | 120.0° | 120.0° |
| C54 | C55 | H65 | H66 | 120.0° | 120.0° |
| C55 | C54 | C56 | O14 | 102.1° | 120.0° |
| C55 | C54 | N11 | C46 | 174.4° | 85.1° |
| C55 | C54 | C56 | N12 | 79.0° | 60.0° |
| C56 | C54 | C55 | H64 | 58.3° | 180.0° |
| C56 | C54 | C55 | H65 | 61.7° | 60.1° |
| C56 | C54 | C55 | H66 | 178.3° | 60.0° |
| C54 | C56 | O14 | N12 | 178.8° | 179.9° |
| C54 | C56 | N12 | C57 | 174.6° | 179.9° |
| C54 | C56 | N12 | H67 | 5.4° | 0.0° |
| C56 | C54 | N11 | C46 | 63.1° | 155.0° |
| H63 | C54 | C55 | H64 | 60.7° | 60.0° |
| H63 | C54 | C55 | H65 | 179.2° | 60.0° |
| H63 | C54 | C55 | H66 | 59.3° | 179.9° |
| H63 | C54 | C56 | O14 | 17.2° | 120.0° |
| H63 | C54 | N11 | C46 | 55.2° | 34.9° |
| H63 | C54 | C56 | N12 | 161.7° | 60.0° |
| H64 | C55 | H65 | H66 | 120.0° | 120.0° |
| O14 | C56 | N12 | C57 | 4.3° | 0.0° |
| O14 | C56 | N12 | H67 | 175.7° | 179.9° |
| C57 | N12 | H67 | C56 | 180.0° | 179.9° |
| N12 | C57 | C58 | C67 | 126.1° | 120.0° |
| N12 | C57 | C58 | H68 | 117.5° | 120.0° |
| N12 | C57 | C67 | H68 | 118.6° | 119.9° |
| N12 | C57 | C58 | C59 | 169.2° | 65.0° |
| N12 | C57 | C58 | H69 | 70.4° | 175.0° |
| N12 | C57 | C58 | H70 | 48.9° | 55.0° |
| N12 | C57 | C67 | O15 | 128.6° | 0.0° |
| N12 | C57 | C67 | N14 | 53.2° | 179.9° |
| H67 | N12 | C57 | C58 | 0.9° | 94.9° |
| H67 | N12 | C57 | C67 | 124.2° | 25.1° |
| H67 | N12 | C57 | H68 | 117.7° | 145.0° |
| C58 | C57 | C67 | H68 | 116.3° | 120.1° |
| C57 | C58 | C59 | H69 | 120.4° | 120.0° |
| C57 | C58 | C59 | H70 | 120.3° | 120.1° |
| C57 | C58 | H69 | H70 | 118.9° | 120.0° |
| C57 | C58 | C59 | C60 | 96.7° | 95.0° |
| C57 | C58 | C59 | C66 | 82.3° | 84.7° |
| C58 | C57 | C67 | O15 | 106.3° | 120.0° |
| C58 | C57 | N12 | C56 | 179.1° | 85.0° |
| C58 | C57 | C67 | N14 | 72.0° | 60.1° |
| C67 | C57 | C58 | C59 | 64.7° | 175.0° |
| C67 | C57 | C58 | H69 | 55.7° | 55.1° |
| C67 | C57 | C58 | H70 | 175.0° | 64.9° |
| C57 | C67 | O15 | N14 | 178.1° | 180.0° |
| C57 | C67 | N14 | C68 | 176.3° | 180.0° |
| C57 | C67 | N14 | H77 | 3.7° | 0.1° |
| C67 | C57 | N12 | C56 | 55.7° | 155.0° |
| H68 | C57 | C58 | C59 | 51.7° | 54.9° |
| H68 | C57 | C58 | H69 | 172.1° | 65.0° |
| H68 | C57 | C58 | H70 | 68.6° | 175.0° |
| H68 | C57 | C67 | O15 | 10.0° | 119.9° |
| H68 | C57 | N12 | C56 | 62.4° | 35.1° |
| H68 | C57 | C67 | N14 | 171.8° | 60.0° |
| C59 | C58 | H69 | H70 | 118.9° | 120.0° |
| C58 | C59 | C60 | C66 | 179.1° | 179.7° |
| C58 | C59 | C60 | N13 | 178.5° | 180.0° |
| C58 | C59 | C60 | H71 | 1.6° | 0.0° |
| C58 | C59 | C66 | C61 | 178.5° | 179.9° |
| C58 | C59 | C66 | C65 | 2.4° | 0.7° |
| H69 | C58 | C59 | C60 | 143.0° | 145.0° |
| H69 | C58 | C59 | C66 | 38.1° | 35.3° |
| H70 | C58 | C59 | C60 | 23.7° | 25.1° |
| H70 | C58 | C59 | C66 | 157.4° | 155.3° |
| C59 | C60 | N13 | H71 | 180.0° | 180.0° |
| C59 | C60 | N13 | C61 | 0.4° | 0.0° |
| C59 | C60 | N13 | H72 | 179.5° | 180.0° |
| C60 | C59 | C66 | C61 | 0.6° | 0.4° |
| C60 | C59 | C66 | C65 | 178.5° | 179.6° |
| C66 | C59 | C60 | N13 | 0.6° | 0.2° |
| C66 | C59 | C60 | H71 | 179.3° | 179.7° |
| C59 | C66 | C61 | N13 | 0.3° | 0.4° |
| C59 | C66 | C61 | C62 | 179.3° | 179.9° |
| C59 | C66 | C61 | C65 | 179.3° | 179.3° |
| C59 | C66 | C65 | C64 | 179.3° | 179.6° |
| C59 | C66 | C65 | H76 | 0.7° | 0.6° |
| C60 | N13 | C61 | H72 | 180.0° | 180.0° |
| C60 | N13 | C61 | C62 | 179.7° | 179.9° |
| C60 | N13 | C61 | C66 | 0.1° | 0.3° |
| H71 | C60 | N13 | C61 | 179.5° | 180.0° |
| H71 | C60 | N13 | H72 | 0.5° | 0.0° |
| N13 | C61 | C62 | C66 | 179.6° | 179.6° |
| N13 | C61 | C62 | C63 | 178.7° | 180.0° |
| N13 | C61 | C62 | H73 | 1.4° | 0.1° |
| N13 | C61 | C66 | C65 | 178.9° | 179.7° |
| H72 | N13 | C61 | C62 | 0.3° | 0.1° |
| H72 | N13 | C61 | C66 | 179.9° | 179.8° |
| C61 | C62 | C63 | H73 | 180.0° | 179.9° |
| C61 | C62 | C63 | C64 | 2.4° | 0.0° |
| C61 | C62 | C63 | H74 | 177.6° | 180.0° |
| C62 | C61 | C66 | C65 | 1.4° | 0.5° |
| C66 | C61 | C62 | C63 | 1.8° | 0.3° |
| C66 | C61 | C62 | H73 | 178.2° | 179.8° |
| C61 | C66 | C65 | C64 | 1.6° | 0.5° |
| C61 | C66 | C65 | H76 | 178.4° | 179.7° |
| C62 | C63 | C64 | H74 | 180.0° | 180.0° |
| C62 | C63 | C64 | C65 | 2.8° | 0.0° |
| C62 | C63 | C64 | H75 | 177.2° | 180.0° |
| H73 | C62 | C63 | C64 | 177.6° | 179.9° |
| H73 | C62 | C63 | H74 | 2.4° | 0.1° |
| C63 | C64 | C65 | H75 | 180.0° | 180.0° |
| C63 | C64 | C65 | C66 | 2.3° | 0.2° |
| C63 | C64 | C65 | H76 | 177.7° | 180.0° |
| H74 | C63 | C64 | C65 | 177.2° | 180.0° |
| H74 | C63 | C64 | H75 | 2.8° | 0.0° |
| C64 | C65 | C66 | H76 | 180.0° | 179.8° |
| H75 | C64 | C65 | C66 | 177.7° | 179.7° |
| H75 | C64 | C65 | H76 | 2.3° | 0.1° |
| O15 | C67 | N14 | C68 | 1.9° | 0.0° |
| O15 | C67 | N14 | H77 | 178.0° | 180.0° |
| C68 | N14 | H77 | C67 | 180.0° | 179.9° |
| N14 | C68 | C69 | C70 | 122.0° | 120.1° |
| N14 | C68 | C69 | H78 | 119.5° | 119.9° |
| N14 | C68 | C70 | H78 | 119.5° | 120.0° |
| N14 | C68 | C69 | H79 | 180.0° | 60.0° |
| N14 | C68 | C69 | H80 | 60.0° | 180.0° |
| N14 | C68 | C69 | H81 | 60.0° | 60.1° |
| N14 | C68 | C70 | O16 | 140.1° | 0.1° |
| N14 | C68 | C70 | N15 | 39.9° | 180.0° |
| H77 | N14 | C68 | C69 | 4.1° | 95.1° |
| H77 | N14 | C68 | C70 | 118.1° | 25.0° |
| H77 | N14 | C68 | H78 | 123.0° | 145.0° |
| C69 | C68 | C70 | H78 | 118.4° | 120.0° |
| C68 | C69 | H79 | H80 | 120.0° | 120.0° |
| C68 | C69 | H79 | H81 | 120.0° | 120.0° |
| C68 | C69 | H80 | H81 | 120.0° | 120.0° |
| C69 | C68 | C70 | O16 | 97.8° | 120.0° |
| C69 | C68 | N14 | C67 | 175.9° | 85.0° |
| C69 | C68 | C70 | N15 | 82.1° | 60.0° |
| C70 | C68 | C69 | H79 | 58.0° | 179.9° |
| C70 | C68 | C69 | H80 | 62.0° | 60.0° |
| C70 | C68 | C69 | H81 | 178.0° | 60.0° |
| C68 | C70 | O16 | N15 | 179.9° | 179.9° |
| C68 | C70 | N15 | C71 | 178.1° | 180.0° |
| C68 | C70 | N15 | H82 | 1.9° | 0.0° |
| C70 | C68 | N14 | C67 | 61.9° | 155.0° |
| H78 | C68 | C69 | H79 | 60.5° | 59.9° |
| H78 | C68 | C69 | H80 | 179.5° | 60.0° |
| H78 | C68 | C69 | H81 | 59.5° | 180.0° |
| H78 | C68 | C70 | O16 | 20.6° | 120.0° |
| H78 | C68 | N14 | C67 | 57.1° | 35.0° |
| H78 | C68 | C70 | N15 | 159.4° | 60.0° |
| H79 | C69 | H80 | H81 | 120.0° | 120.0° |
| O16 | C70 | N15 | C71 | 1.8° | 0.1° |
| O16 | C70 | N15 | H82 | 178.2° | 180.0° |
| C71 | N15 | H82 | C70 | 180.0° | 180.0° |
| N15 | C71 | C72 | C73 | 123.9° | 120.1° |
| N15 | C71 | C72 | H83 | 118.6° | 120.0° |
| N15 | C71 | C73 | H83 | 119.3° | 120.0° |
| N15 | C71 | C72 | O17 | 135.4° | 0.0° |
| N15 | C71 | C73 | S2 | 163.1° | 65.0° |
| N15 | C71 | C73 | H84 | 77.0° | 175.1° |
| N15 | C71 | C73 | H85 | 43.2° | 55.0° |
| N15 | C71 | C72 | N16 | 46.0° | 180.0° |
| H82 | N15 | C71 | C72 | 130.6° | 25.0° |
| H82 | N15 | C71 | C73 | 7.8° | 95.0° |
| H82 | N15 | C71 | H83 | 111.2° | 145.0° |
| C72 | C71 | C73 | H83 | 117.4° | 119.9° |
| C71 | C72 | O17 | N16 | 178.4° | 180.0° |
| C72 | C71 | C73 | S2 | 73.6° | 174.9° |
| C72 | C71 | C73 | H84 | 46.2° | 55.0° |
| C72 | C71 | C73 | H85 | 166.5° | 65.0° |
| C71 | C72 | N16 | C74 | 175.5° | 180.0° |
| C71 | C72 | N16 | H87 | 4.5° | 0.1° |
| C72 | C71 | N15 | C70 | 49.4° | 155.0° |
| C73 | C71 | C72 | O17 | 100.6° | 120.0° |
| C71 | C73 | S2 | H84 | 119.9° | 120.0° |
| C71 | C73 | S2 | H85 | 119.9° | 120.0° |
| C71 | C73 | H84 | H85 | 120.4° | 120.0° |
| C71 | C73 | S2 | H86 | 180.0° | 180.0° |
| C73 | C71 | N15 | C70 | 172.2° | 85.0° |
| C73 | C71 | C72 | N16 | 77.9° | 60.0° |
| H83 | C71 | C72 | O17 | 16.8° | 120.0° |
| H83 | C71 | C73 | S2 | 43.8° | 55.0° |
| H83 | C71 | C73 | H84 | 163.7° | 64.9° |
| H83 | C71 | C73 | H85 | 76.1° | 175.0° |
| H83 | C71 | N15 | C70 | 68.8° | 35.0° |
| H83 | C71 | C72 | N16 | 164.6° | 60.0° |
| O17 | C72 | N16 | C74 | 3.0° | 0.0° |
| O17 | C72 | N16 | H87 | 177.0° | 180.0° |
| S2 | C73 | H84 | H85 | 120.4° | 120.0° |
| H84 | C73 | S2 | H86 | 60.1° | 60.1° |
| H85 | C73 | S2 | H86 | 60.1° | 60.0° |
| C74 | N16 | H87 | C72 | 180.0° | 180.0° |
| N16 | C74 | C75 | C76 | 127.7° | 120.0° |
| N16 | C74 | C75 | H88 | 118.1° | 120.0° |
| N16 | C74 | C76 | H88 | 114.2° | 120.0° |
| N16 | C74 | C75 | O18 | 178.0° | 0.0° |
| N16 | C74 | C76 | C77 | 58.9° | 65.0° |
| N16 | C74 | C76 | H89 | 178.9° | 175.0° |
| N16 | C74 | C76 | H90 | 61.2° | 55.0° |
| N16 | C74 | C75 | N17 | 0.4° | 179.9° |
| H87 | N16 | C74 | C75 | 77.3° | 25.0° |
| H87 | N16 | C74 | C76 | 51.4° | 95.0° |
| H87 | N16 | C74 | H88 | 165.0° | 145.0° |
| C75 | C74 | C76 | H88 | 114.3° | 120.0° |
| C74 | C75 | O18 | N17 | 178.4° | 180.0° |
| C75 | C74 | C76 | C77 | 169.7° | 175.0° |
| C75 | C74 | C76 | H89 | 49.7° | 55.0° |
| C75 | C74 | C76 | H90 | 70.3° | 65.0° |
| C74 | C75 | N17 | C83 | 172.4° | 175.3° |
| C74 | C75 | N17 | H96 | 7.6° | 4.9° |
| C75 | C74 | N16 | C72 | 102.7° | 155.0° |
| C76 | C74 | C75 | O18 | 54.3° | 120.0° |
| C74 | C76 | C77 | H89 | 120.0° | 120.0° |
| C74 | C76 | C77 | H90 | 120.1° | 120.0° |
| C74 | C76 | H89 | H90 | 119.9° | 120.0° |
| C74 | C76 | C77 | C78 | 109.1° | 90.0° |
| C74 | C76 | C77 | C79 | 68.7° | 90.3° |
| C76 | C74 | N16 | C72 | 128.6° | 85.0° |
| C76 | C74 | C75 | N17 | 127.3° | 60.0° |
| H88 | C74 | C75 | O18 | 60.0° | 120.0° |
| H88 | C74 | C76 | C77 | 55.3° | 55.0° |
| H88 | C74 | C76 | H89 | 64.7° | 65.0° |
| H88 | C74 | C76 | H90 | 175.4° | 175.0° |
| H88 | C74 | N16 | C72 | 15.0° | 35.0° |
| H88 | C74 | C75 | N17 | 118.5° | 60.0° |
| O18 | C75 | N17 | C83 | 9.2° | 4.7° |
| O18 | C75 | N17 | H96 | 170.8° | 175.2° |
| C77 | C76 | H89 | H90 | 119.9° | 120.0° |
| C76 | C77 | C78 | C79 | 177.9° | 179.7° |
| C76 | C77 | C78 | C80 | 178.6° | 180.0° |
| C76 | C77 | C78 | H91 | 1.4° | 0.1° |
| C76 | C77 | C79 | C81 | 178.9° | 180.0° |
| C76 | C77 | C79 | H92 | 1.1° | 0.1° |
| H89 | C76 | C77 | C78 | 130.9° | 30.0° |
| H89 | C76 | C77 | C79 | 51.3° | 149.8° |
| H90 | C76 | C77 | C78 | 10.9° | 150.0° |
| H90 | C76 | C77 | C79 | 171.2° | 29.7° |
| C77 | C78 | C80 | H91 | 180.0° | 179.9° |
| C78 | C77 | C79 | C81 | 1.0° | 0.2° |
| C78 | C77 | C79 | H92 | 179.1° | 179.7° |
| C77 | C78 | C80 | C82 | 0.5° | 0.0° |
| C77 | C78 | C80 | H93 | 179.5° | 179.9° |
| C79 | C77 | C78 | C80 | 0.8° | 0.3° |
| C79 | C77 | C78 | H91 | 179.3° | 179.8° |
| C77 | C79 | C81 | H92 | 180.0° | 179.9° |
| C77 | C79 | C81 | C82 | 0.1° | 0.1° |
| C77 | C79 | C81 | H94 | 179.9° | 179.9° |
| C78 | C80 | C82 | H93 | 180.0° | 179.9° |
| C78 | C80 | C82 | C81 | 1.7° | 0.3° |
| C78 | C80 | C82 | O19 | 178.9° | 180.0° |
| H91 | C78 | C80 | C82 | 179.4° | 179.9° |
| H91 | C78 | C80 | H93 | 0.5° | 0.0° |
| C79 | C81 | C82 | C80 | 1.5° | 0.4° |
| C79 | C81 | C82 | H94 | 180.0° | 179.9° |
| C79 | C81 | C82 | O19 | 178.8° | 179.9° |
| H92 | C79 | C81 | C82 | 179.9° | 180.0° |
| H92 | C79 | C81 | H94 | 0.1° | 0.1° |
| C80 | C82 | C81 | O19 | 177.3° | 179.7° |
| C80 | C82 | C81 | H94 | 178.5° | 179.7° |
| C80 | C82 | O19 | H95 | 180.0° | 90.0° |
| H93 | C80 | C82 | C81 | 178.4° | 179.7° |
| H93 | C80 | C82 | O19 | 1.1° | 0.1° |
| C81 | C82 | O19 | H95 | 2.7° | 89.7° |
| H94 | C81 | C82 | O19 | 1.2° | 0.0° |
| C83 | N17 | H96 | C75 | 180.0° | 179.9° |
| N17 | C83 | C84 | C85 | 124.8° | 120.0° |
| N17 | C83 | C84 | H97 | 118.7° | 120.1° |
| N17 | C83 | C85 | H97 | 117.4° | 120.0° |
| N17 | C83 | C84 | O20 | 167.1° | 0.1° |
| N17 | C83 | C85 | C86 | 71.4° | 65.1° |
| N17 | C83 | C85 | H98 | 168.2° | 174.9° |
| N17 | C83 | C85 | H99 | 49.0° | 54.9° |
| N17 | C83 | C84 | N19 | 14.4° | 180.0° |
| H96 | N17 | C83 | C84 | 58.5° | 94.4° |
| H96 | N17 | C83 | C85 | 66.4° | 25.5° |
| H96 | N17 | C83 | H97 | 176.8° | 145.5° |
| C84 | C83 | C85 | H97 | 116.5° | 120.0° |
| C83 | C84 | O20 | N19 | 178.3° | 179.9° |
| C84 | C83 | C85 | C86 | 162.5° | 174.9° |
| C84 | C83 | C85 | H98 | 42.1° | 54.9° |
| C84 | C83 | C85 | H99 | 77.1° | 65.1° |
| C83 | C84 | N19 | C87 | 177.4° | 180.0° |
| C83 | C84 | N19 | H102 | 2.6° | 0.1° |
| C84 | C83 | N17 | C75 | 121.5° | 85.7° |
| C85 | C83 | C84 | O20 | 68.1° | 120.0° |
| C83 | C85 | C86 | H98 | 120.4° | 119.9° |
| C83 | C85 | C86 | H99 | 120.4° | 120.0° |
| C83 | C85 | H98 | H99 | 118.8° | 120.1° |
| C83 | C85 | C86 | O21 | 80.7° | 6.1° |
| C83 | C85 | C86 | N18 | 98.7° | 173.9° |
| C85 | C83 | N17 | C75 | 113.6° | 154.4° |
| C85 | C83 | C84 | N19 | 110.4° | 60.0° |
| H97 | C83 | C84 | O20 | 48.4° | 120.0° |
| H97 | C83 | C85 | C86 | 46.0° | 54.9° |
| H97 | C83 | C85 | H98 | 74.4° | 65.1° |
| H97 | C83 | C85 | H99 | 166.4° | 174.9° |
| H97 | C83 | N17 | C75 | 3.2° | 34.4° |
| H97 | C83 | C84 | N19 | 133.2° | 59.9° |
| O20 | C84 | N19 | C87 | 1.0° | 0.0° |
| O20 | C84 | N19 | H102 | 179.0° | 180.0° |
| C86 | C85 | H98 | H99 | 118.8° | 120.0° |
| C85 | C86 | O21 | N18 | 179.3° | 180.0° |
| C85 | C86 | N18 | H100 | 179.3° | 0.1° |
| C85 | C86 | N18 | H101 | 0.7° | 180.0° |
| H98 | C85 | C86 | O21 | 39.7° | 113.8° |
| H98 | C85 | C86 | N18 | 140.9° | 66.2° |
| H99 | C85 | C86 | O21 | 158.9° | 126.2° |
| H99 | C85 | C86 | N18 | 21.7° | 53.8° |
| O21 | C86 | N18 | H100 | 0.0° | 179.9° |
| O21 | C86 | N18 | H101 | 180.0° | 0.0° |
| C86 | N18 | H100 | H101 | 180.0° | 179.9° |
| C87 | N19 | H102 | C84 | 180.0° | 180.0° |
| N19 | C87 | C88 | C89 | 120.7° | 120.0° |
| N19 | C87 | C88 | H103 | 118.2° | 120.0° |
| N19 | C87 | C89 | H103 | 117.9° | 120.0° |
| N19 | C87 | C88 | O22 | 5.9° | 17.4° |
| N19 | C87 | C89 | C90 | 124.7° | 60.0° |
| N19 | C87 | C89 | C91 | 102.6° | 59.9° |
| N19 | C87 | C89 | H104 | 11.1° | 179.9° |
| N19 | C87 | C88 | N20 | 172.3° | 162.6° |
| H102 | N19 | C87 | C88 | 46.8° | 95.0° |
| H102 | N19 | C87 | C89 | 78.9° | 25.0° |
| H102 | N19 | C87 | H103 | 164.2° | 145.0° |
| C88 | C87 | C89 | H103 | 121.2° | 120.0° |
| C87 | C88 | O22 | N20 | 178.2° | 180.0° |
| C88 | C87 | C89 | C90 | 114.4° | 60.0° |
| C88 | C87 | C89 | C91 | 18.4° | 179.9° |
| C88 | C87 | C89 | H104 | 132.1° | 60.1° |
| C87 | C88 | N20 | H113 | 178.2° | 5.1° |
| C87 | C88 | N20 | H114 | 1.8° | 175.0° |
| C88 | C87 | N19 | C84 | 133.2° | 85.0° |
| C89 | C87 | C88 | O22 | 114.8° | 102.6° |
| C87 | C89 | C90 | C91 | 130.6° | 120.0° |
| C87 | C89 | C90 | H104 | 113.4° | 120.0° |
| C87 | C89 | C91 | H104 | 113.3° | 120.0° |
| C87 | C89 | C90 | C92 | 68.7° | 174.7° |
| C87 | C89 | C90 | H105 | 51.9° | 54.8° |
| C87 | C89 | C90 | H106 | 170.6° | 65.3° |
| C87 | C89 | C91 | H107 | 180.0° | 180.0° |
| C87 | C89 | C91 | H108 | 60.0° | 60.0° |
| C87 | C89 | C91 | H109 | 60.0° | 60.0° |
| C89 | C87 | N19 | C84 | 101.1° | 155.0° |
| C89 | C87 | C88 | N20 | 67.0° | 77.3° |
| H103 | C87 | C88 | O22 | 124.2° | 137.4° |
| H103 | C87 | C89 | C90 | 6.8° | 180.0° |
| H103 | C87 | C89 | C91 | 139.5° | 60.1° |
| H103 | C87 | C89 | H104 | 106.8° | 59.9° |
| H103 | C87 | N19 | C84 | 15.8° | 35.0° |
| H103 | C87 | C88 | N20 | 54.1° | 42.7° |
| O22 | C88 | N20 | H113 | 0.0° | 175.0° |
| O22 | C88 | N20 | H114 | 180.0° | 5.0° |
| C90 | C89 | C91 | H104 | 115.8° | 120.0° |
| C89 | C90 | C92 | H105 | 120.6° | 119.9° |
| C89 | C90 | C92 | H106 | 120.6° | 120.0° |
| C89 | C90 | H105 | H106 | 118.0° | 120.0° |
| C90 | C89 | C91 | H107 | 49.2° | 60.0° |
| C90 | C89 | C91 | H108 | 70.8° | 60.0° |
| C90 | C89 | C91 | H109 | 169.2° | 180.0° |
| C89 | C90 | C92 | H110 | 180.0° | 60.0° |
| C89 | C90 | C92 | H111 | 60.0° | 60.0° |
| C89 | C90 | C92 | H112 | 60.0° | 179.9° |
| C91 | C89 | C90 | C92 | 160.6° | 65.3° |
| C91 | C89 | C90 | H105 | 78.7° | 174.7° |
| C91 | C89 | C90 | H106 | 40.0° | 54.7° |
| C89 | C91 | H107 | H108 | 120.0° | 120.0° |
| C89 | C91 | H107 | H109 | 120.0° | 120.0° |
| C89 | C91 | H108 | H109 | 120.0° | 120.0° |
| H104 | C89 | C90 | C92 | 44.6° | 54.7° |
| H104 | C89 | C90 | H105 | 165.3° | 65.2° |
| H104 | C89 | C90 | H106 | 76.0° | 174.7° |
| H104 | C89 | C91 | H107 | 66.7° | 60.0° |
| H104 | C89 | C91 | H108 | 173.3° | 180.0° |
| H104 | C89 | C91 | H109 | 53.3° | 60.0° |
| C92 | C90 | H105 | H106 | 118.1° | 120.0° |
| C90 | C92 | H110 | H111 | 120.0° | 120.0° |
| C90 | C92 | H110 | H112 | 120.0° | 120.1° |
| C90 | C92 | H111 | H112 | 120.0° | 120.0° |
| H105 | C90 | C92 | H110 | 59.4° | 180.0° |
| H105 | C90 | C92 | H111 | 179.4° | 60.0° |
| H105 | C90 | C92 | H112 | 60.7° | 60.0° |
| H106 | C90 | C92 | H110 | 59.4° | 60.0° |
| H106 | C90 | C92 | H111 | 60.6° | 180.0° |
| H106 | C90 | C92 | H112 | 179.4° | 60.1° |
| H107 | C91 | H108 | H109 | 120.0° | 120.1° |
| H110 | C92 | H111 | H112 | 120.0° | 120.0° |
| H113 | N20 | H114 | C88 | 180.0° | 180.0° |
