PRD_001219
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 | C3 | sing | 1.53Å | 1.56Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C2 | O1 | doub | 1.21Å | 1.23Å | |
| C3 | C4 | sing | 1.53Å | 1.53Å | |
| C3 | C5 | sing | 1.53Å | 1.56Å | |
| C3 | H4 | sing | 1.09Å | 1.10Å | |
| C4 | H5 | sing | 1.09Å | 1.10Å | |
| C4 | H6 | sing | 1.09Å | 1.10Å | |
| C4 | H7 | sing | 1.09Å | 1.10Å | |
| C5 | H8 | sing | 1.09Å | 1.10Å | |
| C5 | H9 | sing | 1.09Å | 1.10Å | |
| C5 | H10 | sing | 1.09Å | 1.10Å | |
| N2 | C6 | sing | 1.40Å | 1.44Å | |
| N2 | H11 | sing | 0.97Å | 1.00Å | |
| C6 | C7 | doub | 1.34Å | 1.37Å | |
| C6 | C9 | sing | 1.47Å | 1.52Å | |
| C7 | C8 | sing | 1.51Å | 1.52Å | |
| C7 | H12 | sing | 1.08Å | 1.08Å | |
| C8 | H13 | sing | 1.09Å | 1.10Å | |
| C8 | H14 | sing | 1.09Å | 1.10Å | |
| C8 | H15 | sing | 1.09Å | 1.10Å | |
| C9 | O2 | doub | 1.22Å | 1.21Å | |
| N3 | C10 | sing | 1.47Å | 1.50Å | |
| N3 | H16 | sing | 0.97Å | 1.00Å | |
| C10 | C11 | sing | 1.53Å | 1.54Å | |
| C10 | C12 | sing | 1.51Å | 1.54Å | |
| C10 | H17 | sing | 1.09Å | 1.10Å | |
| C11 | H18 | sing | 1.09Å | 1.10Å | |
| C11 | H19 | sing | 1.09Å | 1.10Å | |
| C12 | O3 | doub | 1.21Å | 1.23Å | |
| C23 | C21 | doub | 1.38Å | 1.40Å | Aromatic |
| C23 | C22 | sing | 1.39Å | 1.41Å | Aromatic |
| CL1 | C22 | sing | 1.74Å | 1.73Å | |
| C21 | C19 | sing | 1.39Å | 1.39Å | Aromatic |
| C22 | C20 | doub | 1.37Å | 1.40Å | Aromatic |
| C19 | N5 | sing | 1.38Å | 1.35Å | Aromatic |
| C19 | C18 | doub | 1.41Å | 1.35Å | Aromatic |
| C20 | C18 | sing | 1.40Å | 1.39Å | Aromatic |
| N5 | C17 | sing | 1.37Å | 1.40Å | Aromatic |
| C18 | C16 | sing | 1.46Å | 1.41Å | Aromatic |
| C17 | C16 | doub | 1.34Å | 1.39Å | Aromatic |
| C16 | C15 | sing | 1.51Å | 1.50Å | |
| C15 | C13 | sing | 1.53Å | 1.54Å | |
| N4 | C13 | sing | 1.48Å | 1.51Å | |
| C13 | C14 | sing | 1.52Å | 1.52Å | |
| C14 | O4 | doub | 1.21Å | 1.21Å | |
| N4 | H20 | sing | 0.97Å | 1.00Å | |
| C13 | H21 | sing | 1.09Å | 1.10Å | |
| C15 | H22 | sing | 1.09Å | 1.10Å | |
| C15 | H23 | sing | 1.09Å | 1.10Å | |
| C17 | H24 | sing | 1.08Å | 1.08Å | |
| C20 | H25 | sing | 1.08Å | 1.08Å | |
| N5 | H26 | sing | 0.97Å | 1.00Å | |
| C21 | H27 | sing | 1.08Å | 1.08Å | |
| C23 | H28 | sing | 1.08Å | 1.08Å | |
| N6 | C24 | sing | 1.41Å | 1.44Å | |
| N6 | H29 | sing | 0.99Å | 1.00Å | |
| C24 | C25 | doub | 1.33Å | 1.35Å | |
| C24 | C26 | sing | 1.48Å | 1.51Å | |
| C25 | H30 | sing | 1.08Å | 1.08Å | |
| C25 | H31 | sing | 1.08Å | 1.08Å | |
| C26 | O5 | doub | 1.22Å | 1.22Å | |
| N7 | C27 | sing | 1.49Å | 1.47Å | |
| N7 | H32 | sing | 0.97Å | 1.00Å | |
| C27 | C28 | sing | 1.51Å | 1.52Å | |
| C27 | C29 | sing | 1.53Å | 1.53Å | |
| C27 | H33 | sing | 1.09Å | 1.10Å | |
| C28 | O6 | doub | 1.21Å | 1.23Å | |
| C29 | C30 | sing | 1.53Å | 1.54Å | |
| C29 | H34 | sing | 1.09Å | 1.10Å | |
| C29 | H35 | sing | 1.09Å | 1.10Å | |
| C30 | C31 | sing | 1.53Å | 1.52Å | |
| C30 | C32 | sing | 1.53Å | 1.53Å | |
| C30 | H36 | sing | 1.09Å | 1.10Å | |
| C31 | H37 | sing | 1.09Å | 1.10Å | |
| C31 | H38 | sing | 1.09Å | 1.10Å | |
| 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 | |
| N8 | C33 | sing | 1.48Å | 1.46Å | |
| N8 | H43 | sing | 0.97Å | 1.00Å | |
| C33 | C34 | sing | 1.51Å | 1.54Å | |
| C33 | C35 | sing | 1.53Å | 1.54Å | |
| C33 | H44 | sing | 1.09Å | 1.10Å | |
| C34 | O7 | doub | 1.21Å | 1.23Å | |
| C35 | S1 | sing | 1.81Å | 1.83Å | |
| C35 | H45 | sing | 1.09Å | 1.10Å | |
| C35 | H46 | sing | 1.09Å | 1.10Å | |
| N9 | C36 | sing | 1.46Å | 1.50Å | |
| C36 | C37 | sing | 1.51Å | 1.57Å | |
| C36 | C38 | sing | 1.53Å | 1.61Å | |
| C37 | O8 | doub | 1.22Å | 1.21Å | |
| C38 | C39 | sing | 1.53Å | 1.56Å | |
| N9 | H47 | sing | 0.97Å | 1.00Å | |
| C36 | H48 | sing | 1.09Å | 1.10Å | |
| C38 | H49 | sing | 1.09Å | 1.10Å | |
| C39 | H50 | sing | 1.09Å | 1.10Å | |
| C39 | H51 | sing | 1.09Å | 1.10Å | |
| C39 | H52 | sing | 1.09Å | 1.10Å | |
| N10 | C40 | sing | 1.47Å | 1.48Å | |
| N10 | C44 | sing | 1.46Å | 1.48Å | |
| C40 | C41 | sing | 1.51Å | 1.54Å | |
| C40 | C42 | sing | 1.53Å | 1.52Å | |
| C40 | H53 | sing | 1.09Å | 1.10Å | |
| C41 | O9 | doub | 1.21Å | 1.23Å | |
| C42 | C43 | sing | 1.54Å | 1.53Å | |
| C42 | H54 | sing | 1.09Å | 1.10Å | |
| C42 | H55 | sing | 1.09Å | 1.10Å | |
| C43 | C44 | sing | 1.54Å | 1.53Å | |
| C43 | H56 | sing | 1.09Å | 1.10Å | |
| C43 | H57 | sing | 1.09Å | 1.10Å | |
| C44 | H58 | sing | 1.09Å | 1.10Å | |
| C44 | H59 | sing | 1.09Å | 1.10Å | |
| N11 | C45 | sing | 1.48Å | 1.46Å | |
| N11 | H60 | sing | 0.97Å | 1.00Å | |
| C45 | C46 | sing | 1.51Å | 1.52Å | |
| C45 | H61 | sing | 1.09Å | 1.10Å | |
| C45 | H62 | sing | 1.09Å | 1.10Å | |
| C46 | O10 | doub | 1.21Å | 1.23Å | |
| N12 | C47 | sing | 1.49Å | 1.47Å | |
| N12 | H63 | sing | 0.97Å | 1.00Å | |
| C47 | C48 | sing | 1.51Å | 1.54Å | |
| C47 | C49 | sing | 1.53Å | 1.53Å | |
| C47 | H64 | sing | 1.09Å | 1.10Å | |
| C48 | O11 | doub | 1.21Å | 1.24Å | |
| C49 | S2 | sing | 1.81Å | 1.84Å | |
| C49 | H65 | sing | 1.09Å | 1.10Å | |
| C49 | H66 | sing | 1.09Å | 1.10Å | |
| N13 | C50 | sing | 1.46Å | 1.48Å | |
| N13 | H67 | sing | 0.97Å | 1.00Å | |
| C50 | C51 | sing | 1.51Å | 1.54Å | |
| C50 | C52 | sing | 1.53Å | 1.57Å | |
| C50 | H68 | sing | 1.09Å | 1.10Å | |
| C51 | O12 | doub | 1.21Å | 1.23Å | |
| C52 | O13 | sing | 1.43Å | 1.43Å | |
| C52 | C53 | sing | 1.53Å | 1.52Å | |
| C52 | H69 | sing | 1.09Å | 1.10Å | |
| O13 | H70 | sing | 0.97Å | 0.95Å | |
| C53 | H71 | sing | 1.09Å | 1.10Å | |
| C53 | H72 | sing | 1.09Å | 1.10Å | |
| C53 | H73 | sing | 1.09Å | 1.10Å | |
| N14 | C54 | sing | 1.46Å | 1.51Å | |
| N14 | H74 | sing | 0.97Å | 1.00Å | |
| C54 | C55 | sing | 1.53Å | 1.57Å | |
| C54 | C56 | sing | 1.50Å | 1.56Å | |
| C54 | H75 | sing | 1.09Å | 1.10Å | |
| C55 | H76 | sing | 1.09Å | 1.10Å | |
| C55 | H77 | sing | 1.09Å | 1.10Å | |
| C56 | O14 | doub | 1.22Å | 1.22Å | |
| N15 | C57 | sing | 1.47Å | 1.48Å | |
| N15 | C61 | sing | 1.46Å | 1.48Å | |
| C57 | C58 | sing | 1.50Å | 1.53Å | |
| C57 | C59 | sing | 1.53Å | 1.53Å | |
| C57 | H78 | sing | 1.09Å | 1.10Å | |
| C58 | O15 | doub | 1.21Å | 1.23Å | |
| C59 | C60 | sing | 1.54Å | 1.48Å | |
| C59 | H79 | sing | 1.09Å | 1.10Å | |
| C59 | H80 | sing | 1.09Å | 1.10Å | |
| C60 | C61 | sing | 1.54Å | 1.49Å | |
| C60 | O16 | sing | 1.43Å | 1.41Å | |
| C60 | H81 | sing | 1.09Å | 1.10Å | |
| C61 | H82 | sing | 1.09Å | 1.10Å | |
| C61 | H83 | sing | 1.09Å | 1.10Å | |
| O16 | H84 | sing | 0.97Å | 0.95Å | |
| N16 | C62 | sing | 1.47Å | 1.46Å | |
| N16 | H85 | sing | 0.97Å | 1.00Å | |
| C62 | C63 | sing | 1.50Å | 1.51Å | |
| C62 | H86 | sing | 1.09Å | 1.10Å | |
| C62 | H87 | sing | 1.09Å | 1.10Å | |
| C63 | O17 | doub | 1.21Å | 1.23Å | |
| N17 | C64 | sing | 1.46Å | 1.45Å | |
| N17 | H88 | sing | 0.97Å | 1.00Å | |
| C64 | C65 | sing | 1.50Å | 1.51Å | |
| C64 | H89 | sing | 1.09Å | 1.10Å | |
| C64 | H90 | sing | 1.09Å | 1.10Å | |
| C65 | O18 | doub | 1.21Å | 1.24Å | |
| N18 | C66 | sing | 1.46Å | 1.46Å | |
| N18 | H91 | sing | 0.97Å | 1.00Å | |
| C66 | C67 | sing | 1.50Å | 1.52Å | |
| C66 | H92 | sing | 1.09Å | 1.10Å | |
| C66 | H93 | sing | 1.09Å | 1.10Å | |
| C67 | O19 | doub | 1.21Å | 1.23Å | |
| N19 | C68 | sing | 1.46Å | 1.49Å | |
| N19 | H94 | sing | 0.97Å | 1.00Å | |
| C68 | C69 | sing | 1.53Å | 1.55Å | |
| C68 | C70 | sing | 1.50Å | 1.54Å | |
| C68 | H95 | sing | 1.10Å | 1.10Å | |
| C69 | H96 | sing | 1.09Å | 1.10Å | |
| C69 | H97 | sing | 1.09Å | 1.10Å | |
| C70 | O20 | doub | 1.21Å | 1.23Å | |
| N20 | C71 | sing | 1.46Å | 1.48Å | |
| N20 | H98 | sing | 0.98Å | 1.00Å | |
| C71 | C72 | sing | 1.51Å | 1.54Å | |
| C71 | C73 | sing | 1.53Å | 1.52Å | |
| C71 | H99 | sing | 1.09Å | 1.10Å | |
| C72 | O21 | doub | 1.21Å | 1.23Å | |
| C73 | C74 | sing | 1.51Å | 1.48Å | |
| C73 | H100 | sing | 1.09Å | 1.10Å | |
| C73 | H101 | sing | 1.09Å | 1.10Å | |
| C74 | O22 | doub | 1.21Å | 1.23Å | |
| C74 | N21 | sing | 1.35Å | 1.28Å | |
| N21 | H102 | sing | 0.97Å | 1.00Å | |
| N21 | H103 | sing | 0.97Å | 1.00Å | |
| N22 | C75 | sing | 1.46Å | 1.47Å | |
| N22 | H104 | sing | 0.97Å | 1.00Å | |
| C75 | C76 | sing | 1.52Å | 1.54Å | |
| C75 | C77 | sing | 1.53Å | 1.54Å | |
| C75 | H105 | sing | 1.09Å | 1.10Å | |
| C76 | O23 | doub | 1.22Å | 1.23Å | |
| C77 | S3 | sing | 1.81Å | 1.83Å | |
| C77 | H106 | sing | 1.09Å | 1.10Å | |
| C77 | H107 | sing | 1.09Å | 1.10Å | |
| N23 | C78 | sing | 1.46Å | 1.51Å | |
| N23 | H108 | sing | 0.97Å | 1.00Å | |
| C78 | C79 | sing | 1.54Å | 1.58Å | |
| C78 | C80 | sing | 1.51Å | 1.56Å | |
| C78 | H109 | sing | 1.08Å | 1.10Å | |
| C79 | H110 | sing | 1.09Å | 1.10Å | |
| C79 | H111 | sing | 1.09Å | 1.10Å | |
| C80 | O24 | doub | 1.22Å | 1.22Å | |
| N24 | C81 | sing | 1.46Å | 1.48Å | |
| N24 | H112 | sing | 0.97Å | 1.00Å | |
| C81 | C82 | sing | 1.50Å | 1.52Å | |
| C81 | C83 | sing | 1.53Å | 1.53Å | |
| C81 | H113 | sing | 1.09Å | 1.10Å | |
| C82 | O25 | doub | 1.22Å | 1.23Å | |
| C83 | C84 | sing | 1.51Å | 1.50Å | |
| C83 | H114 | sing | 1.09Å | 1.10Å | |
| C83 | H115 | sing | 1.09Å | 1.10Å | |
| C84 | C85 | doub | 1.38Å | 1.40Å | Aromatic |
| C84 | C86 | sing | 1.38Å | 1.40Å | Aromatic |
| C85 | C87 | sing | 1.38Å | 1.41Å | Aromatic |
| C85 | H116 | sing | 1.08Å | 1.08Å | |
| C86 | C88 | doub | 1.38Å | 1.41Å | Aromatic |
| C86 | H117 | sing | 1.08Å | 1.08Å | |
| C87 | C89 | doub | 1.38Å | 1.41Å | Aromatic |
| C87 | H118 | sing | 1.08Å | 1.08Å | |
| C88 | C89 | sing | 1.38Å | 1.41Å | Aromatic |
| C88 | H119 | sing | 1.08Å | 1.08Å | |
| C89 | H120 | sing | 1.08Å | 1.08Å | |
| N25 | C90 | sing | 1.48Å | 1.45Å | |
| N25 | H121 | sing | 0.97Å | 1.00Å | |
| C90 | C91 | sing | 1.52Å | 1.52Å | |
| C90 | C92 | sing | 1.52Å | 1.54Å | |
| C90 | H122 | sing | 1.09Å | 1.10Å | |
| C91 | O26 | doub | 1.21Å | 1.22Å | |
| C92 | S4 | sing | 1.81Å | 1.83Å | |
| C92 | H123 | sing | 1.09Å | 1.10Å | |
| C92 | H124 | sing | 1.09Å | 1.10Å | |
| N26 | C94 | sing | 1.39Å | 1.41Å | |
| N26 | H125 | sing | 0.97Å | 1.00Å | |
| C93 | C94 | doub | 1.33Å | 1.32Å | |
| C93 | S5 | sing | 1.76Å | 1.73Å | |
| C93 | H126 | sing | 1.08Å | 1.08Å | |
| C94 | H127 | sing | 1.07Å | 1.08Å | |
| C2 | N2 | sing | 1.35Å | 1.36Å | |
| C9 | N3 | sing | 1.35Å | 1.36Å | |
| C11 | S1 | sing | 1.82Å | 1.84Å | |
| C12 | N4 | sing | 1.37Å | 1.36Å | |
| C14 | N6 | sing | 1.35Å | 1.34Å | |
| C26 | N7 | sing | 1.37Å | 1.36Å | |
| C28 | N8 | sing | 1.36Å | 1.32Å | |
| C34 | N9 | sing | 1.35Å | 1.35Å | |
| C37 | N10 | sing | 1.35Å | 1.40Å | |
| C38 | S2 | sing | 1.81Å | 1.88Å | |
| C41 | N11 | sing | 1.36Å | 1.33Å | |
| C46 | N12 | sing | 1.37Å | 1.33Å | |
| C48 | N13 | sing | 1.35Å | 1.33Å | |
| C51 | N14 | sing | 1.35Å | 1.36Å | |
| C55 | S3 | sing | 1.82Å | 1.85Å | |
| C56 | N15 | sing | 1.34Å | 1.41Å | |
| C58 | N16 | sing | 1.35Å | 1.33Å | |
| C63 | N17 | sing | 1.34Å | 1.33Å | |
| C65 | N18 | sing | 1.35Å | 1.33Å | |
| C67 | N19 | sing | 1.34Å | 1.34Å | |
| C69 | S4 | sing | 1.81Å | 1.84Å | |
| C70 | N20 | sing | 1.34Å | 1.35Å | |
| C72 | N22 | sing | 1.35Å | 1.32Å | |
| C76 | N23 | sing | 1.34Å | 1.36Å | |
| C79 | S5 | sing | 1.81Å | 1.85Å | |
| C80 | N24 | sing | 1.35Å | 1.36Å | |
| C82 | N25 | sing | 1.35Å | 1.32Å | |
| C91 | N26 | sing | 1.35Å | 1.33Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | N1 | H1 | 109.5° | 111.0° |
| C1 | N1 | H2 | 109.5° | 111.1° |
| N1 | C1 | C2 | 111.6° | 109.5° |
| N1 | C1 | C3 | 111.5° | 109.4° |
| N1 | C1 | H3 | 109.0° | 109.5° |
| H1 | N1 | H2 | 109.5° | 111.0° |
| C2 | C1 | C3 | 108.1° | 109.5° |
| C2 | C1 | H3 | 108.5° | 109.5° |
| C1 | C2 | O1 | 119.6° | 120.0° |
| C1 | C2 | N2 | 116.9° | 120.0° |
| C3 | C1 | H3 | 108.1° | 109.5° |
| C1 | C3 | C4 | 110.5° | 109.5° |
| C1 | C3 | C5 | 111.7° | 109.5° |
| C1 | C3 | H4 | 107.9° | 109.5° |
| O1 | C2 | N2 | 123.4° | 120.0° |
| C4 | C3 | C5 | 110.5° | 109.5° |
| C4 | C3 | H4 | 108.2° | 109.4° |
| C3 | C4 | H5 | 109.5° | 109.4° |
| C3 | C4 | H6 | 109.5° | 109.5° |
| C3 | C4 | H7 | 109.4° | 109.5° |
| C5 | C3 | H4 | 107.8° | 109.5° |
| C3 | C5 | H8 | 109.5° | 109.5° |
| C3 | C5 | H9 | 109.5° | 109.5° |
| C3 | C5 | H10 | 109.5° | 109.5° |
| H5 | C4 | H6 | 109.5° | 109.5° |
| H5 | C4 | H7 | 109.5° | 109.4° |
| H6 | C4 | H7 | 109.5° | 109.5° |
| H8 | C5 | H9 | 109.5° | 109.5° |
| H8 | C5 | H10 | 109.4° | 109.5° |
| H9 | C5 | H10 | 109.4° | 109.5° |
| C6 | N2 | H11 | 116.1° | 120.0° |
| N2 | C6 | C7 | 120.2° | 120.0° |
| N2 | C6 | C9 | 125.3° | 120.0° |
| C6 | N2 | C2 | 127.9° | 120.0° |
| H11 | N2 | C2 | 116.0° | 120.0° |
| C7 | C6 | C9 | 114.5° | 120.0° |
| C6 | C7 | C8 | 123.6° | 120.0° |
| C6 | C7 | H12 | 118.2° | 120.0° |
| C6 | C9 | O2 | 120.1° | 120.0° |
| C6 | C9 | N3 | 120.2° | 120.0° |
| C8 | C7 | H12 | 118.2° | 120.0° |
| C7 | C8 | H13 | 109.5° | 109.5° |
| C7 | C8 | H14 | 109.5° | 109.5° |
| C7 | C8 | H15 | 109.5° | 109.5° |
| H13 | C8 | H14 | 109.4° | 109.5° |
| H13 | C8 | H15 | 109.5° | 109.5° |
| H14 | C8 | H15 | 109.4° | 109.4° |
| O2 | C9 | N3 | 119.7° | 120.0° |
| C10 | N3 | H16 | 117.8° | 120.0° |
| N3 | C10 | C11 | 112.7° | 109.1° |
| N3 | C10 | C12 | 112.5° | 109.6° |
| N3 | C10 | H17 | 106.8° | 109.4° |
| C10 | N3 | C9 | 124.5° | 120.0° |
| H16 | N3 | C9 | 117.7° | 120.0° |
| C11 | C10 | C12 | 111.7° | 109.9° |
| C11 | C10 | H17 | 106.3° | 109.4° |
| C10 | C11 | H18 | 109.0° | 109.4° |
| C10 | C11 | H19 | 109.0° | 109.8° |
| C10 | C11 | S1 | 111.5° | 109.4° |
| C12 | C10 | H17 | 106.3° | 109.5° |
| C10 | C12 | O3 | 122.3° | 120.5° |
| C10 | C12 | N4 | 114.7° | 118.9° |
| H18 | C11 | H19 | 109.5° | 109.3° |
| H18 | C11 | S1 | 108.9° | 109.4° |
| H19 | C11 | S1 | 109.0° | 109.5° |
| O3 | C12 | N4 | 123.0° | 120.6° |
| C21 | C23 | C22 | 120.2° | 120.6° |
| C23 | C21 | C19 | 117.7° | 119.8° |
| C23 | C21 | H27 | 121.1° | 120.1° |
| C21 | C23 | H28 | 119.9° | 119.7° |
| C23 | C22 | CL1 | 120.1° | 119.7° |
| C23 | C22 | C20 | 120.1° | 120.5° |
| C22 | C23 | H28 | 119.9° | 119.7° |
| CL1 | C22 | C20 | 119.8° | 119.7° |
| C21 | C19 | N5 | 127.4° | 133.5° |
| C21 | C19 | C18 | 122.2° | 119.4° |
| C19 | C21 | H27 | 121.1° | 120.1° |
| C22 | C20 | C18 | 117.8° | 119.8° |
| C22 | C20 | H25 | 121.1° | 120.1° |
| N5 | C19 | C18 | 110.4° | 107.1° |
| C19 | N5 | C17 | 108.0° | 109.9° |
| C19 | N5 | H26 | 126.0° | 125.0° |
| C19 | C18 | C20 | 122.0° | 119.9° |
| C19 | C18 | C16 | 107.4° | 106.1° |
| C20 | C18 | C16 | 130.6° | 134.0° |
| C18 | C20 | H25 | 121.1° | 120.1° |
| N5 | C17 | C16 | 106.9° | 109.9° |
| N5 | C17 | H24 | 126.6° | 125.0° |
| C17 | N5 | H26 | 126.0° | 125.1° |
| C18 | C16 | C17 | 107.2° | 107.0° |
| C18 | C16 | C15 | 126.2° | 126.5° |
| C17 | C16 | C15 | 126.5° | 126.5° |
| C16 | C17 | H24 | 126.6° | 125.1° |
| C16 | C15 | C13 | 108.0° | 109.4° |
| C16 | C15 | H22 | 109.8° | 109.4° |
| C16 | C15 | H23 | 109.8° | 109.5° |
| C15 | C13 | N4 | 113.4° | 110.0° |
| C15 | C13 | C14 | 110.2° | 109.4° |
| C15 | C13 | H21 | 105.9° | 110.2° |
| C13 | C15 | H22 | 109.8° | 109.5° |
| C13 | C15 | H23 | 109.8° | 109.5° |
| N4 | C13 | C14 | 114.2° | 107.1° |
| C13 | N4 | H20 | 115.2° | 122.2° |
| N4 | C13 | H21 | 106.3° | 110.5° |
| C13 | N4 | C12 | 129.6° | 114.8° |
| C13 | C14 | O4 | 122.4° | 118.6° |
| C14 | C13 | H21 | 106.1° | 109.6° |
| C13 | C14 | N6 | 113.5° | 117.1° |
| O4 | C14 | N6 | 124.1° | 124.3° |
| H20 | N4 | C12 | 115.2° | 123.0° |
| H22 | C15 | H23 | 109.5° | 109.5° |
| C24 | N6 | H29 | 114.5° | 118.7° |
| N6 | C24 | C25 | 122.8° | 123.6° |
| N6 | C24 | C26 | 120.2° | 116.5° |
| C24 | N6 | C14 | 130.9° | 122.2° |
| H29 | N6 | C14 | 114.5° | 119.0° |
| C25 | C24 | C26 | 117.0° | 119.9° |
| C24 | C25 | H30 | 120.0° | 120.0° |
| C24 | C25 | H31 | 120.0° | 120.0° |
| C24 | C26 | O5 | 123.2° | 119.4° |
| C24 | C26 | N7 | 115.4° | 120.1° |
| H30 | C25 | H31 | 120.0° | 120.1° |
| O5 | C26 | N7 | 121.4° | 120.5° |
| C27 | N7 | H32 | 117.5° | 122.0° |
| N7 | C27 | C28 | 110.2° | 107.9° |
| N7 | C27 | C29 | 110.0° | 109.6° |
| N7 | C27 | H33 | 109.6° | 109.8° |
| C27 | N7 | C26 | 125.0° | 113.6° |
| H32 | N7 | C26 | 117.5° | 124.4° |
| C28 | C27 | C29 | 109.3° | 109.7° |
| C28 | C27 | H33 | 108.9° | 109.9° |
| C27 | C28 | O6 | 121.6° | 120.3° |
| C27 | C28 | N8 | 115.6° | 118.9° |
| C29 | C27 | H33 | 108.8° | 109.9° |
| C27 | C29 | C30 | 116.0° | 109.5° |
| C27 | C29 | H34 | 107.8° | 109.5° |
| C27 | C29 | H35 | 107.8° | 109.4° |
| O6 | C28 | N8 | 122.7° | 120.8° |
| C30 | C29 | H34 | 107.8° | 109.4° |
| C30 | C29 | H35 | 107.8° | 109.5° |
| C29 | C30 | C31 | 108.9° | 109.5° |
| C29 | C30 | C32 | 111.6° | 109.4° |
| C29 | C30 | H36 | 108.6° | 109.5° |
| H34 | C29 | H35 | 109.5° | 109.4° |
| C31 | C30 | C32 | 110.1° | 109.5° |
| C31 | C30 | H36 | 108.8° | 109.5° |
| C30 | C31 | H37 | 109.5° | 109.5° |
| C30 | C31 | H38 | 109.5° | 109.5° |
| C30 | C31 | H39 | 109.5° | 109.5° |
| C32 | C30 | H36 | 108.7° | 109.4° |
| C30 | C32 | H40 | 109.5° | 109.4° |
| C30 | C32 | H41 | 109.5° | 109.5° |
| C30 | C32 | H42 | 109.4° | 109.4° |
| H37 | C31 | H38 | 109.4° | 109.4° |
| H37 | C31 | H39 | 109.4° | 109.5° |
| H38 | C31 | H39 | 109.5° | 109.5° |
| H40 | C32 | H41 | 109.4° | 109.6° |
| H40 | C32 | H42 | 109.5° | 109.5° |
| H41 | C32 | H42 | 109.5° | 109.5° |
| C33 | N8 | H43 | 118.9° | 121.5° |
| N8 | C33 | C34 | 109.7° | 109.7° |
| N8 | C33 | C35 | 109.3° | 108.7° |
| N8 | C33 | H44 | 109.2° | 109.9° |
| C33 | N8 | C28 | 122.3° | 116.9° |
| H43 | N8 | C28 | 118.9° | 121.6° |
| C34 | C33 | C35 | 112.3° | 109.5° |
| C34 | C33 | H44 | 108.2° | 109.6° |
| C33 | C34 | O7 | 122.2° | 119.9° |
| C33 | C34 | N9 | 114.8° | 120.1° |
| C35 | C33 | H44 | 108.1° | 109.4° |
| C33 | C35 | S1 | 114.0° | 109.5° |
| C33 | C35 | H45 | 108.3° | 109.5° |
| C33 | C35 | H46 | 108.3° | 109.4° |
| O7 | C34 | N9 | 123.1° | 120.0° |
| S1 | C35 | H45 | 108.4° | 109.5° |
| S1 | C35 | H46 | 108.3° | 109.4° |
| C35 | S1 | C11 | 104.0° | 103.3° |
| H45 | C35 | H46 | 109.4° | 109.5° |
| N9 | C36 | C37 | 113.0° | 109.7° |
| N9 | C36 | C38 | 112.8° | 109.3° |
| C36 | N9 | H47 | 117.1° | 120.0° |
| N9 | C36 | H48 | 106.1° | 109.9° |
| C36 | N9 | C34 | 125.8° | 120.0° |
| C37 | C36 | C38 | 113.7° | 109.0° |
| C36 | C37 | O8 | 119.4° | 119.1° |
| C37 | C36 | H48 | 105.4° | 109.7° |
| C36 | C37 | N10 | 120.1° | 121.4° |
| C36 | C38 | C39 | 113.6° | 109.4° |
| C38 | C36 | H48 | 105.0° | 109.2° |
| C36 | C38 | H49 | 105.1° | 109.7° |
| C36 | C38 | S2 | 115.2° | 109.6° |
| O8 | C37 | N10 | 120.5° | 119.5° |
| C39 | C38 | H49 | 105.5° | 109.4° |
| C38 | C39 | H50 | 109.5° | 109.5° |
| C38 | C39 | H51 | 109.5° | 109.5° |
| C38 | C39 | H52 | 109.5° | 109.5° |
| C39 | C38 | S2 | 113.1° | 109.3° |
| H47 | N9 | C34 | 117.1° | 120.0° |
| H49 | C38 | S2 | 102.8° | 109.5° |
| H50 | C39 | H51 | 109.5° | 109.4° |
| H50 | C39 | H52 | 109.5° | 109.5° |
| H51 | C39 | H52 | 109.4° | 109.4° |
| C40 | N10 | C44 | 110.5° | 108.9° |
| N10 | C40 | C41 | 117.6° | 108.7° |
| N10 | C40 | C42 | 101.8° | 108.1° |
| N10 | C40 | H53 | 108.5° | 109.8° |
| C40 | N10 | C37 | 124.6° | 124.2° |
| N10 | C44 | C43 | 103.3° | 107.7° |
| N10 | C44 | H58 | 111.0° | 110.2° |
| N10 | C44 | H59 | 111.0° | 110.0° |
| C44 | N10 | C37 | 124.9° | 126.9° |
| C41 | C40 | C42 | 112.8° | 109.8° |
| C41 | C40 | H53 | 107.8° | 110.2° |
| C40 | C41 | O9 | 121.8° | 120.5° |
| C40 | C41 | N11 | 114.6° | 118.5° |
| C42 | C40 | H53 | 107.9° | 110.1° |
| C40 | C42 | C43 | 102.5° | 106.1° |
| C40 | C42 | H54 | 111.2° | 110.0° |
| C40 | C42 | H55 | 111.2° | 110.4° |
| O9 | C41 | N11 | 123.5° | 120.9° |
| C43 | C42 | H54 | 111.2° | 110.4° |
| C43 | C42 | H55 | 111.2° | 110.0° |
| C42 | C43 | C44 | 106.7° | 105.9° |
| C42 | C43 | H56 | 110.2° | 109.9° |
| C42 | C43 | H57 | 110.2° | 110.4° |
| H54 | C42 | H55 | 109.5° | 109.9° |
| C44 | C43 | H56 | 110.1° | 110.2° |
| C44 | C43 | H57 | 110.2° | 110.1° |
| C43 | C44 | H58 | 111.0° | 109.6° |
| C43 | C44 | H59 | 111.0° | 109.5° |
| H56 | C43 | H57 | 109.5° | 110.2° |
| H58 | C44 | H59 | 109.5° | 109.8° |
| C45 | N11 | H60 | 118.6° | 121.6° |
| N11 | C45 | C46 | 110.6° | 107.5° |
| N11 | C45 | H61 | 109.2° | 109.7° |
| N11 | C45 | H62 | 109.2° | 110.0° |
| C45 | N11 | C41 | 122.9° | 116.0° |
| H60 | N11 | C41 | 118.6° | 122.4° |
| C46 | C45 | H61 | 109.2° | 109.1° |
| C46 | C45 | H62 | 109.2° | 110.0° |
| C45 | C46 | O10 | 121.3° | 121.1° |
| C45 | C46 | N12 | 116.2° | 116.7° |
| H61 | C45 | H62 | 109.4° | 110.5° |
| O10 | C46 | N12 | 122.4° | 122.2° |
| C47 | N12 | H63 | 118.3° | 122.1° |
| N12 | C47 | C48 | 115.3° | 109.7° |
| N12 | C47 | C49 | 109.0° | 107.5° |
| N12 | C47 | H64 | 108.2° | 110.7° |
| C47 | N12 | C46 | 123.3° | 115.7° |
| H63 | N12 | C46 | 118.4° | 122.2° |
| C48 | C47 | C49 | 109.2° | 109.9° |
| C48 | C47 | H64 | 107.3° | 109.1° |
| C47 | C48 | O11 | 119.5° | 120.0° |
| C47 | C48 | N13 | 116.5° | 120.0° |
| C49 | C47 | H64 | 107.4° | 109.9° |
| C47 | C49 | S2 | 115.2° | 109.3° |
| C47 | C49 | H65 | 108.0° | 108.8° |
| C47 | C49 | H66 | 108.0° | 109.7° |
| O11 | C48 | N13 | 124.0° | 120.0° |
| S2 | C49 | H65 | 108.0° | 109.6° |
| S2 | C49 | H66 | 108.0° | 109.4° |
| C49 | S2 | C38 | 107.1° | 103.2° |
| H65 | C49 | H66 | 109.5° | 110.0° |
| C50 | N13 | H67 | 117.5° | 120.0° |
| N13 | C50 | C51 | 112.3° | 109.5° |
| N13 | C50 | C52 | 112.5° | 109.5° |
| N13 | C50 | H68 | 107.5° | 109.5° |
| C50 | N13 | C48 | 125.0° | 119.9° |
| H67 | N13 | C48 | 117.5° | 120.0° |
| C51 | C50 | C52 | 111.0° | 109.5° |
| C51 | C50 | H68 | 106.8° | 109.4° |
| C50 | C51 | O12 | 122.4° | 120.0° |
| C50 | C51 | N14 | 114.4° | 120.0° |
| C52 | C50 | H68 | 106.5° | 109.5° |
| C50 | C52 | O13 | 109.7° | 109.5° |
| C50 | C52 | C53 | 111.9° | 109.5° |
| C50 | C52 | H69 | 108.4° | 109.5° |
| O12 | C51 | N14 | 123.1° | 120.0° |
| O13 | C52 | C53 | 107.5° | 109.4° |
| O13 | C52 | H69 | 110.3° | 109.4° |
| C52 | O13 | H70 | 109.5° | 114.0° |
| C53 | C52 | H69 | 109.1° | 109.5° |
| C52 | C53 | H71 | 109.5° | 109.4° |
| C52 | C53 | H72 | 109.5° | 109.5° |
| C52 | C53 | H73 | 109.4° | 109.5° |
| H71 | C53 | H72 | 109.5° | 109.5° |
| H71 | C53 | H73 | 109.5° | 109.4° |
| H72 | C53 | H73 | 109.5° | 109.5° |
| C54 | N14 | H74 | 115.6° | 120.0° |
| N14 | C54 | C55 | 116.1° | 110.0° |
| N14 | C54 | C56 | 110.0° | 110.3° |
| N14 | C54 | H75 | 105.4° | 108.5° |
| C54 | N14 | C51 | 128.9° | 120.0° |
| H74 | N14 | C51 | 115.6° | 120.0° |
| C55 | C54 | C56 | 114.3° | 111.2° |
| C55 | C54 | H75 | 104.9° | 108.9° |
| C54 | C55 | H76 | 108.1° | 109.5° |
| C54 | C55 | H77 | 108.1° | 109.8° |
| C54 | C55 | S3 | 115.0° | 109.0° |
| C56 | C54 | H75 | 104.9° | 107.9° |
| C54 | C56 | O14 | 118.1° | 118.8° |
| C54 | C56 | N15 | 121.2° | 122.3° |
| H76 | C55 | H77 | 109.5° | 109.7° |
| H76 | C55 | S3 | 108.1° | 109.4° |
| H77 | C55 | S3 | 108.1° | 109.4° |
| O14 | C56 | N15 | 120.4° | 118.8° |
| C57 | N15 | C61 | 110.7° | 109.3° |
| N15 | C57 | C58 | 116.1° | 110.0° |
| N15 | C57 | C59 | 102.8° | 108.1° |
| N15 | C57 | H78 | 109.5° | 109.2° |
| C57 | N15 | C56 | 122.4° | 124.2° |
| N15 | C61 | C60 | 102.7° | 108.0° |
| N15 | C61 | H82 | 111.2° | 110.2° |
| N15 | C61 | H83 | 111.1° | 110.2° |
| C61 | N15 | C56 | 126.8° | 126.5° |
| C58 | C57 | C59 | 110.5° | 109.6° |
| C58 | C57 | H78 | 108.9° | 110.1° |
| C57 | C58 | O15 | 120.0° | 119.6° |
| C57 | C58 | N16 | 117.4° | 120.9° |
| C59 | C57 | H78 | 108.8° | 109.7° |
| C57 | C59 | C60 | 104.6° | 105.8° |
| C57 | C59 | H79 | 110.7° | 110.3° |
| C57 | C59 | H80 | 110.7° | 110.2° |
| O15 | C58 | N16 | 122.5° | 119.5° |
| C60 | C59 | H79 | 110.7° | 110.2° |
| C60 | C59 | H80 | 110.7° | 110.1° |
| C59 | C60 | C61 | 104.2° | 104.4° |
| C59 | C60 | O16 | 110.1° | 110.5° |
| C59 | C60 | H81 | 110.4° | 110.3° |
| H79 | C59 | H80 | 109.4° | 110.1° |
| C61 | C60 | O16 | 110.2° | 110.5° |
| C61 | C60 | H81 | 110.2° | 110.4° |
| C60 | C61 | H82 | 111.1° | 109.2° |
| C60 | C61 | H83 | 111.2° | 109.4° |
| O16 | C60 | H81 | 111.5° | 110.6° |
| C60 | O16 | H84 | 109.5° | 114.0° |
| H82 | C61 | H83 | 109.5° | 109.7° |
| C62 | N16 | H85 | 119.4° | 119.4° |
| N16 | C62 | C63 | 113.7° | 108.4° |
| N16 | C62 | H86 | 108.4° | 109.7° |
| N16 | C62 | H87 | 108.4° | 109.8° |
| C62 | N16 | C58 | 121.1° | 121.0° |
| H85 | N16 | C58 | 119.4° | 119.5° |
| C63 | C62 | H86 | 108.4° | 109.6° |
| C63 | C62 | H87 | 108.4° | 109.6° |
| C62 | C63 | O17 | 119.8° | 119.6° |
| C62 | C63 | N17 | 117.5° | 120.8° |
| H86 | C62 | H87 | 109.5° | 109.7° |
| O17 | C63 | N17 | 122.6° | 119.6° |
| C64 | N17 | H88 | 119.9° | 120.0° |
| N17 | C64 | C65 | 108.7° | 110.7° |
| N17 | C64 | H89 | 109.7° | 109.1° |
| N17 | C64 | H90 | 109.7° | 109.4° |
| C64 | N17 | C63 | 120.2° | 119.8° |
| H88 | N17 | C63 | 119.9° | 120.2° |
| C65 | C64 | H89 | 109.6° | 109.0° |
| C65 | C64 | H90 | 109.7° | 109.5° |
| C64 | C65 | O18 | 120.1° | 119.6° |
| C64 | C65 | N18 | 116.8° | 120.5° |
| H89 | C64 | H90 | 109.5° | 109.2° |
| O18 | C65 | N18 | 123.0° | 119.9° |
| C66 | N18 | H91 | 119.2° | 120.7° |
| N18 | C66 | C67 | 111.4° | 112.5° |
| N18 | C66 | H92 | 109.0° | 109.3° |
| N18 | C66 | H93 | 109.0° | 108.8° |
| C66 | N18 | C65 | 121.5° | 118.9° |
| H91 | N18 | C65 | 119.3° | 120.4° |
| C67 | C66 | H92 | 109.0° | 109.1° |
| C67 | C66 | H93 | 109.0° | 108.8° |
| C66 | C67 | O19 | 121.6° | 119.0° |
| C66 | C67 | N19 | 114.7° | 121.6° |
| H92 | C66 | H93 | 109.5° | 108.3° |
| O19 | C67 | N19 | 123.7° | 119.4° |
| C68 | N19 | H94 | 116.8° | 119.9° |
| N19 | C68 | C69 | 111.0° | 109.7° |
| N19 | C68 | C70 | 110.8° | 113.5° |
| N19 | C68 | H95 | 108.3° | 108.8° |
| C68 | N19 | C67 | 126.3° | 120.7° |
| H94 | N19 | C67 | 116.8° | 119.4° |
| C69 | C68 | C70 | 111.4° | 108.9° |
| C69 | C68 | H95 | 107.6° | 107.1° |
| C68 | C69 | H96 | 108.2° | 108.7° |
| C68 | C69 | H97 | 108.2° | 109.9° |
| C68 | C69 | S4 | 114.4° | 109.1° |
| C70 | C68 | H95 | 107.7° | 108.6° |
| C68 | C70 | O20 | 122.1° | 117.4° |
| C68 | C70 | N20 | 114.3° | 122.2° |
| H96 | C69 | H97 | 109.5° | 110.0° |
| H96 | C69 | S4 | 108.2° | 109.4° |
| H97 | C69 | S4 | 108.2° | 109.9° |
| O20 | C70 | N20 | 123.6° | 120.3° |
| C71 | N20 | H98 | 116.2° | 118.9° |
| N20 | C71 | C72 | 117.1° | 110.5° |
| N20 | C71 | C73 | 109.3° | 109.7° |
| N20 | C71 | H99 | 107.4° | 109.5° |
| C71 | N20 | C70 | 127.6° | 122.2° |
| H98 | N20 | C70 | 116.2° | 118.8° |
| C72 | C71 | C73 | 109.1° | 108.4° |
| C72 | C71 | H99 | 106.6° | 109.3° |
| C71 | C72 | O21 | 119.7° | 120.4° |
| C71 | C72 | N22 | 118.5° | 118.0° |
| C73 | C71 | H99 | 106.9° | 109.4° |
| C71 | C73 | C74 | 112.2° | 109.5° |
| C71 | C73 | H100 | 108.8° | 109.5° |
| C71 | C73 | H101 | 108.8° | 109.5° |
| O21 | C72 | N22 | 121.8° | 121.7° |
| C74 | C73 | H100 | 108.8° | 109.5° |
| C74 | C73 | H101 | 108.8° | 109.5° |
| C73 | C74 | O22 | 121.5° | 120.0° |
| C73 | C74 | N21 | 116.0° | 120.0° |
| H100 | C73 | H101 | 109.5° | 109.5° |
| O22 | C74 | N21 | 122.4° | 120.0° |
| C74 | N21 | H102 | 120.0° | 120.0° |
| C74 | N21 | H103 | 120.0° | 120.0° |
| H102 | N21 | H103 | 120.0° | 120.0° |
| C75 | N22 | H104 | 119.6° | 118.4° |
| N22 | C75 | C76 | 114.5° | 108.8° |
| N22 | C75 | C77 | 111.0° | 110.9° |
| N22 | C75 | H105 | 107.2° | 109.3° |
| C75 | N22 | C72 | 120.8° | 122.5° |
| H104 | N22 | C72 | 119.6° | 119.1° |
| C76 | C75 | C77 | 110.7° | 108.8° |
| C76 | C75 | H105 | 106.5° | 108.5° |
| C75 | C76 | O23 | 121.0° | 120.8° |
| C75 | C76 | N23 | 117.1° | 118.4° |
| C77 | C75 | H105 | 106.4° | 110.5° |
| C75 | C77 | S3 | 117.3° | 110.2° |
| C75 | C77 | H106 | 107.5° | 109.4° |
| C75 | C77 | H107 | 107.5° | 109.0° |
| O23 | C76 | N23 | 121.9° | 120.8° |
| S3 | C77 | H106 | 107.5° | 109.4° |
| S3 | C77 | H107 | 107.5° | 109.6° |
| C77 | S3 | C55 | 98.8° | 102.5° |
| H106 | C77 | H107 | 109.5° | 109.3° |
| C78 | N23 | H108 | 117.7° | 118.4° |
| N23 | C78 | C79 | 110.9° | 108.7° |
| N23 | C78 | C80 | 115.1° | 109.1° |
| N23 | C78 | H109 | 105.9° | 110.9° |
| C78 | N23 | C76 | 124.6° | 122.4° |
| H108 | N23 | C76 | 117.7° | 119.2° |
| C79 | C78 | C80 | 113.2° | 108.1° |
| C79 | C78 | H109 | 105.3° | 110.0° |
| C78 | C79 | H110 | 107.8° | 109.7° |
| C78 | C79 | H111 | 107.8° | 109.1° |
| C78 | C79 | S5 | 116.1° | 108.7° |
| C80 | C78 | H109 | 105.4° | 110.0° |
| C78 | C80 | O24 | 123.4° | 120.2° |
| C78 | C80 | N24 | 116.3° | 119.7° |
| H110 | C79 | H111 | 109.5° | 109.6° |
| H110 | C79 | S5 | 107.8° | 109.9° |
| H111 | C79 | S5 | 107.8° | 109.8° |
| O24 | C80 | N24 | 120.2° | 120.1° |
| C81 | N24 | H112 | 118.2° | 118.7° |
| N24 | C81 | C82 | 105.6° | 108.8° |
| N24 | C81 | C83 | 111.2° | 109.8° |
| N24 | C81 | H113 | 110.6° | 109.2° |
| C81 | N24 | C80 | 123.7° | 121.4° |
| H112 | N24 | C80 | 118.2° | 119.8° |
| C82 | C81 | C83 | 109.4° | 110.9° |
| C82 | C81 | H113 | 110.0° | 109.0° |
| C81 | C82 | O25 | 122.4° | 117.8° |
| C81 | C82 | N25 | 113.2° | 123.9° |
| C83 | C81 | H113 | 109.9° | 109.2° |
| C81 | C83 | C84 | 113.9° | 109.5° |
| C81 | C83 | H114 | 108.3° | 109.4° |
| C81 | C83 | H115 | 108.4° | 109.5° |
| O25 | C82 | N25 | 124.2° | 118.2° |
| C84 | C83 | H114 | 108.4° | 109.5° |
| C84 | C83 | H115 | 108.3° | 109.5° |
| C83 | C84 | C85 | 120.4° | 120.0° |
| C83 | C84 | C86 | 120.4° | 120.0° |
| H114 | C83 | H115 | 109.5° | 109.5° |
| C85 | C84 | C86 | 119.1° | 120.0° |
| C84 | C85 | C87 | 120.7° | 120.0° |
| C84 | C85 | H116 | 119.7° | 120.0° |
| C84 | C86 | C88 | 120.7° | 120.0° |
| C84 | C86 | H117 | 119.6° | 120.0° |
| C87 | C85 | H116 | 119.6° | 120.0° |
| C85 | C87 | C89 | 119.8° | 120.0° |
| C85 | C87 | H118 | 120.1° | 120.0° |
| C88 | C86 | H117 | 119.6° | 120.0° |
| C86 | C88 | C89 | 119.9° | 120.0° |
| C86 | C88 | H119 | 120.1° | 120.0° |
| C89 | C87 | H118 | 120.1° | 120.0° |
| C87 | C89 | C88 | 119.8° | 120.0° |
| C87 | C89 | H120 | 120.1° | 120.0° |
| C89 | C88 | H119 | 120.0° | 120.0° |
| C88 | C89 | H120 | 120.1° | 120.0° |
| C90 | N25 | H121 | 117.9° | 120.9° |
| N25 | C90 | C91 | 102.0° | 105.8° |
| N25 | C90 | C92 | 110.5° | 110.3° |
| N25 | C90 | H122 | 111.4° | 109.1° |
| C90 | N25 | C82 | 124.2° | 116.9° |
| H121 | N25 | C82 | 117.9° | 122.2° |
| C91 | C90 | C92 | 112.2° | 112.1° |
| C91 | C90 | H122 | 110.4° | 108.9° |
| C90 | C91 | O26 | 121.0° | 123.2° |
| C90 | C91 | N26 | 118.8° | 114.4° |
| C92 | C90 | H122 | 110.1° | 110.5° |
| C90 | C92 | S4 | 115.8° | 110.9° |
| C90 | C92 | H123 | 107.9° | 109.2° |
| C90 | C92 | H124 | 107.9° | 109.4° |
| O26 | C91 | N26 | 119.3° | 122.4° |
| S4 | C92 | H123 | 107.9° | 109.5° |
| S4 | C92 | H124 | 107.9° | 109.1° |
| C92 | S4 | C69 | 100.7° | 103.2° |
| H123 | C92 | H124 | 109.5° | 108.8° |
| C94 | N26 | H125 | 120.1° | 117.7° |
| N26 | C94 | C93 | 121.3° | 118.2° |
| N26 | C94 | H127 | 119.4° | 122.1° |
| C94 | N26 | C91 | 119.9° | 124.7° |
| H125 | N26 | C91 | 120.0° | 117.6° |
| C94 | C93 | S5 | 117.7° | 118.7° |
| C94 | C93 | H126 | 121.1° | 120.5° |
| C93 | C94 | H127 | 119.4° | 119.7° |
| S5 | C93 | H126 | 121.1° | 120.8° |
| C93 | S5 | C79 | 97.9° | 103.2° |
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 | C3 | 123.0° | 119.9° |
| N1 | C1 | C2 | H3 | 120.1° | 120.0° |
| N1 | C1 | C3 | H3 | 119.7° | 120.0° |
| N1 | C1 | C2 | O1 | 161.3° | 20.0° |
| N1 | C1 | C3 | C4 | 60.3° | 180.0° |
| N1 | C1 | C3 | C5 | 63.2° | 60.1° |
| N1 | C1 | C3 | H4 | 178.4° | 60.0° |
| N1 | C1 | C2 | N2 | 19.4° | 160.0° |
| H1 | N1 | C1 | C2 | 180.0° | 64.0° |
| H1 | N1 | C1 | C3 | 59.0° | 176.0° |
| H1 | N1 | C1 | H3 | 60.2° | 56.0° |
| H2 | N1 | C1 | C2 | 60.0° | 60.0° |
| H2 | N1 | C1 | C3 | 179.0° | 60.0° |
| H2 | N1 | C1 | H3 | 59.8° | 180.0° |
| C2 | C1 | C3 | H3 | 117.2° | 120.0° |
| C1 | C2 | O1 | N2 | 179.2° | 180.0° |
| C2 | C1 | C3 | C4 | 176.7° | 60.0° |
| C2 | C1 | C3 | C5 | 59.8° | 180.0° |
| C2 | C1 | C3 | H4 | 58.6° | 59.9° |
| C1 | C2 | N2 | C6 | 176.3° | 175.3° |
| C1 | C2 | N2 | H11 | 3.8° | 4.7° |
| C3 | C1 | C2 | O1 | 75.7° | 100.0° |
| C1 | C3 | C4 | C5 | 124.2° | 120.0° |
| C1 | C3 | C4 | H4 | 117.9° | 120.0° |
| C1 | C3 | C5 | H4 | 118.4° | 120.0° |
| C1 | C3 | C4 | H5 | 180.0° | 60.0° |
| C1 | C3 | C4 | H6 | 60.0° | 180.0° |
| C1 | C3 | C4 | H7 | 60.0° | 60.0° |
| C1 | C3 | C5 | H8 | 180.0° | 60.0° |
| C1 | C3 | C5 | H9 | 60.0° | 180.0° |
| C1 | C3 | C5 | H10 | 60.0° | 60.0° |
| C3 | C1 | C2 | N2 | 103.6° | 80.1° |
| H3 | C1 | C2 | O1 | 41.2° | 140.0° |
| H3 | C1 | C3 | C4 | 59.4° | 60.0° |
| H3 | C1 | C3 | C5 | 177.0° | 60.0° |
| H3 | C1 | C3 | H4 | 58.6° | 180.0° |
| H3 | C1 | C2 | N2 | 139.5° | 40.0° |
| O1 | C2 | N2 | C6 | 3.0° | 4.7° |
| O1 | C2 | N2 | H11 | 177.0° | 175.2° |
| C4 | C3 | C5 | H4 | 118.0° | 120.0° |
| C3 | C4 | H5 | H6 | 120.0° | 120.0° |
| C3 | C4 | H5 | H7 | 120.0° | 119.9° |
| C3 | C4 | H6 | H7 | 120.0° | 120.0° |
| C4 | C3 | C5 | H8 | 56.5° | 180.0° |
| C4 | C3 | C5 | H9 | 63.6° | 60.0° |
| C4 | C3 | C5 | H10 | 176.5° | 60.0° |
| C5 | C3 | C4 | H5 | 55.7° | 60.1° |
| C5 | C3 | C4 | H6 | 175.7° | 60.0° |
| C5 | C3 | C4 | H7 | 64.2° | 180.0° |
| C3 | C5 | H8 | H9 | 120.0° | 120.0° |
| C3 | C5 | H8 | H10 | 120.0° | 120.0° |
| C3 | C5 | H9 | H10 | 120.0° | 120.0° |
| H4 | C3 | C4 | H5 | 62.1° | 179.9° |
| H4 | C3 | C4 | H6 | 57.9° | 60.0° |
| H4 | C3 | C4 | H7 | 177.9° | 60.0° |
| H4 | C3 | C5 | H8 | 61.6° | 60.0° |
| H4 | C3 | C5 | H9 | 178.4° | 60.0° |
| H4 | C3 | C5 | H10 | 58.4° | 180.0° |
| H5 | C4 | H6 | H7 | 120.0° | 120.0° |
| H8 | C5 | H9 | H10 | 120.0° | 120.0° |
| C6 | N2 | H11 | C2 | 180.0° | 180.0° |
| N2 | C6 | C7 | C9 | 177.6° | 180.0° |
| N2 | C6 | C7 | C8 | 0.6° | 5.9° |
| N2 | C6 | C7 | H12 | 179.4° | 174.2° |
| N2 | C6 | C9 | O2 | 179.5° | 0.0° |
| N2 | C6 | C9 | N3 | 3.1° | 180.0° |
| H11 | N2 | C6 | C7 | 34.9° | 58.7° |
| H11 | N2 | C6 | C9 | 142.4° | 121.4° |
| C6 | C7 | C8 | H12 | 180.0° | 179.9° |
| C6 | C7 | C8 | H13 | 180.0° | 176.4° |
| C6 | C7 | C8 | H14 | 60.0° | 63.7° |
| C6 | C7 | C8 | H15 | 60.0° | 56.3° |
| C7 | C6 | C9 | O2 | 2.0° | 180.0° |
| C7 | C6 | N2 | C2 | 145.0° | 121.4° |
| C7 | C6 | C9 | N3 | 174.4° | 0.0° |
| C9 | C6 | C7 | C8 | 178.2° | 174.1° |
| C9 | C6 | C7 | H12 | 1.8° | 5.9° |
| C6 | C9 | O2 | N3 | 176.4° | 180.0° |
| C6 | C9 | N3 | C10 | 178.3° | 180.0° |
| C6 | C9 | N3 | H16 | 1.7° | 0.0° |
| C9 | C6 | N2 | C2 | 37.6° | 58.6° |
| C7 | C8 | H13 | H14 | 120.0° | 120.0° |
| C7 | C8 | H13 | H15 | 120.0° | 120.1° |
| C7 | C8 | H14 | H15 | 120.0° | 120.0° |
| H12 | C7 | C8 | H13 | 0.0° | 3.6° |
| H12 | C7 | C8 | H14 | 120.0° | 116.4° |
| H12 | C7 | C8 | H15 | 120.0° | 123.6° |
| H13 | C8 | H14 | H15 | 120.0° | 120.0° |
| O2 | C9 | N3 | C10 | 1.9° | 0.0° |
| O2 | C9 | N3 | H16 | 178.1° | 180.0° |
| C10 | N3 | H16 | C9 | 180.0° | 180.0° |
| N3 | C10 | C11 | C12 | 127.8° | 120.2° |
| N3 | C10 | C11 | H17 | 116.6° | 119.6° |
| N3 | C10 | C12 | H17 | 116.5° | 120.0° |
| N3 | C10 | C11 | H18 | 60.2° | 102.2° |
| N3 | C10 | C11 | H19 | 59.2° | 137.8° |
| N3 | C10 | C12 | O3 | 57.4° | 143.5° |
| N3 | C10 | C11 | S1 | 179.5° | 17.6° |
| N3 | C10 | C12 | N4 | 121.9° | 37.1° |
| H16 | N3 | C10 | C11 | 7.9° | 97.8° |
| H16 | N3 | C10 | C12 | 135.3° | 22.6° |
| H16 | N3 | C10 | H17 | 108.5° | 142.6° |
| C11 | C10 | C12 | H17 | 115.6° | 120.2° |
| C10 | C11 | H18 | H19 | 119.1° | 120.3° |
| C10 | C11 | H18 | S1 | 121.8° | 119.8° |
| C10 | C11 | H19 | S1 | 121.8° | 120.2° |
| C11 | C10 | C12 | O3 | 70.5° | 23.6° |
| C10 | C11 | S1 | C35 | 173.5° | 160.4° |
| C11 | C10 | N3 | C9 | 172.1° | 82.2° |
| C11 | C10 | C12 | N4 | 110.2° | 156.9° |
| C12 | C10 | C11 | H18 | 67.6° | 137.6° |
| C12 | C10 | C11 | H19 | 172.9° | 17.6° |
| C10 | C12 | O3 | N4 | 179.3° | 179.5° |
| C10 | C12 | N4 | C13 | 175.9° | 174.9° |
| C10 | C12 | N4 | H20 | 4.2° | 5.6° |
| C12 | C10 | N3 | C9 | 44.7° | 157.4° |
| C12 | C10 | C11 | S1 | 52.6° | 102.6° |
| H17 | C10 | C11 | H18 | 176.8° | 17.3° |
| H17 | C10 | C11 | H19 | 57.4° | 102.7° |
| H17 | C10 | C12 | O3 | 173.9° | 96.6° |
| H17 | C10 | N3 | C9 | 71.5° | 37.4° |
| H17 | C10 | C11 | S1 | 62.9° | 137.1° |
| H17 | C10 | C12 | N4 | 5.4° | 82.9° |
| H18 | C11 | H19 | S1 | 119.1° | 119.8° |
| H18 | C11 | S1 | C35 | 66.2° | 79.8° |
| H19 | C11 | S1 | C35 | 53.2° | 39.9° |
| O3 | C12 | N4 | C13 | 3.5° | 5.6° |
| O3 | C12 | N4 | H20 | 176.5° | 173.9° |
| C21 | C23 | C22 | H28 | 180.0° | 179.6° |
| C21 | C23 | C22 | CL1 | 178.8° | 179.8° |
| C23 | C21 | C19 | H27 | 180.0° | 179.9° |
| C21 | C23 | C22 | C20 | 0.3° | 0.5° |
| C23 | C21 | C19 | N5 | 177.6° | 180.0° |
| C23 | C21 | C19 | C18 | 0.7° | 0.0° |
| C23 | C22 | CL1 | C20 | 179.1° | 179.7° |
| C22 | C23 | C21 | C19 | 0.4° | 0.4° |
| C23 | C22 | C20 | C18 | 0.8° | 0.3° |
| C23 | C22 | C20 | H25 | 179.2° | 179.7° |
| C22 | C23 | C21 | H27 | 179.6° | 179.7° |
| CL1 | C22 | C20 | C18 | 178.3° | 180.0° |
| CL1 | C22 | C20 | H25 | 1.7° | 0.0° |
| CL1 | C22 | C23 | H28 | 1.2° | 0.2° |
| C21 | C19 | N5 | C18 | 178.5° | 180.0° |
| C21 | C19 | C18 | C20 | 0.2° | 0.2° |
| C21 | C19 | N5 | C17 | 180.0° | 180.0° |
| C21 | C19 | C18 | C16 | 179.1° | 179.8° |
| C21 | C19 | N5 | H26 | 0.0° | 0.1° |
| C19 | C21 | C23 | H28 | 179.6° | 180.0° |
| C22 | C20 | C18 | C19 | 0.6° | 0.0° |
| C22 | C20 | C18 | H25 | 180.0° | 180.0° |
| C22 | C20 | C18 | C16 | 178.0° | 180.0° |
| C20 | C22 | C23 | H28 | 179.7° | 179.9° |
| N5 | C19 | C18 | C20 | 178.3° | 179.8° |
| C19 | N5 | C17 | H26 | 180.0° | 179.9° |
| N5 | C19 | C18 | C16 | 0.5° | 0.2° |
| C19 | N5 | C17 | C16 | 1.9° | 0.2° |
| C19 | N5 | C17 | H24 | 178.1° | 179.9° |
| N5 | C19 | C21 | H27 | 2.4° | 0.0° |
| C19 | C18 | C20 | C16 | 178.6° | 180.0° |
| C18 | C19 | N5 | C17 | 1.5° | 0.0° |
| C19 | C18 | C16 | C17 | 0.7° | 0.3° |
| C19 | C18 | C16 | C15 | 176.6° | 180.0° |
| C19 | C18 | C20 | H25 | 179.4° | 180.0° |
| C18 | C19 | N5 | H26 | 178.5° | 179.9° |
| C18 | C19 | C21 | H27 | 179.3° | 180.0° |
| C20 | C18 | C16 | C17 | 179.4° | 179.7° |
| C20 | C18 | C16 | C15 | 2.2° | 0.0° |
| N5 | C17 | C16 | C18 | 1.6° | 0.3° |
| N5 | C17 | C16 | H24 | 180.0° | 179.9° |
| N5 | C17 | C16 | C15 | 175.6° | 180.0° |
| C18 | C16 | C17 | C15 | 177.2° | 179.7° |
| C18 | C16 | C15 | C13 | 154.0° | 84.7° |
| C18 | C16 | C15 | H22 | 86.2° | 35.3° |
| C18 | C16 | C15 | H23 | 34.3° | 155.3° |
| C18 | C16 | C17 | H24 | 178.4° | 179.8° |
| C16 | C18 | C20 | H25 | 2.0° | 0.0° |
| C17 | C16 | C15 | C13 | 22.7° | 95.0° |
| C17 | C16 | C15 | H22 | 97.1° | 145.1° |
| C17 | C16 | C15 | H23 | 142.4° | 25.1° |
| C16 | C17 | N5 | H26 | 178.1° | 179.7° |
| C16 | C15 | C13 | H22 | 119.8° | 119.9° |
| C16 | C15 | C13 | H23 | 119.8° | 120.0° |
| C16 | C15 | C13 | N4 | 56.0° | 65.0° |
| C16 | C15 | C13 | C14 | 174.6° | 177.6° |
| C16 | C15 | C13 | H21 | 60.2° | 57.0° |
| C16 | C15 | H22 | H23 | 120.7° | 120.0° |
| C15 | C16 | C17 | H24 | 4.4° | 0.1° |
| C15 | C13 | N4 | C14 | 127.4° | 118.8° |
| C15 | C13 | N4 | H21 | 116.0° | 121.9° |
| C15 | C13 | C14 | H21 | 114.3° | 121.0° |
| C15 | C13 | C14 | O4 | 95.1° | 5.9° |
| C15 | C13 | N4 | H20 | 122.4° | 28.8° |
| C13 | C15 | H22 | H23 | 120.7° | 120.1° |
| C15 | C13 | N4 | C12 | 57.6° | 150.7° |
| C15 | C13 | C14 | N6 | 87.0° | 173.6° |
| N4 | C13 | C14 | H21 | 116.7° | 119.9° |
| N4 | C13 | C14 | O4 | 135.9° | 113.3° |
| C13 | N4 | H20 | C12 | 180.0° | 179.4° |
| N4 | C13 | C15 | H22 | 175.7° | 54.9° |
| N4 | C13 | C15 | H23 | 63.8° | 175.0° |
| N4 | C13 | C14 | N6 | 42.0° | 67.2° |
| C13 | C14 | O4 | N6 | 177.7° | 179.4° |
| C14 | C13 | N4 | H20 | 110.3° | 90.0° |
| C14 | C13 | C15 | H22 | 54.8° | 62.4° |
| C14 | C13 | C15 | H23 | 65.7° | 57.6° |
| C13 | C14 | N6 | C24 | 177.4° | 171.4° |
| C13 | C14 | N6 | H29 | 2.6° | 8.9° |
| C14 | C13 | N4 | C12 | 69.7° | 90.5° |
| O4 | C14 | C13 | H21 | 19.1° | 126.8° |
| O4 | C14 | N6 | C24 | 0.5° | 9.1° |
| O4 | C14 | N6 | H29 | 179.5° | 170.6° |
| H20 | N4 | C13 | H21 | 6.4° | 150.7° |
| H21 | C13 | C15 | H22 | 59.5° | 177.0° |
| H21 | C13 | C15 | H23 | 180.0° | 63.0° |
| H21 | C13 | N4 | C12 | 173.6° | 28.8° |
| H21 | C13 | C14 | N6 | 158.8° | 52.7° |
| H24 | C17 | N5 | H26 | 1.9° | 0.2° |
| H27 | C21 | C23 | H28 | 0.4° | 0.1° |
| C24 | N6 | H29 | C14 | 180.0° | 179.7° |
| N6 | C24 | C25 | C26 | 180.0° | 179.5° |
| N6 | C24 | C25 | H30 | 180.0° | 0.1° |
| N6 | C24 | C25 | H31 | 0.0° | 180.0° |
| N6 | C24 | C26 | O5 | 176.2° | 6.0° |
| N6 | C24 | C26 | N7 | 3.0° | 173.5° |
| H29 | N6 | C24 | C25 | 170.6° | 173.7° |
| H29 | N6 | C24 | C26 | 9.5° | 6.8° |
| C24 | C25 | H30 | H31 | 180.0° | 179.9° |
| C25 | C24 | C26 | O5 | 3.8° | 174.4° |
| C25 | C24 | N6 | C14 | 9.4° | 6.0° |
| C25 | C24 | C26 | N7 | 177.0° | 6.0° |
| C26 | C24 | C25 | H30 | 0.0° | 179.6° |
| C26 | C24 | C25 | H31 | 180.0° | 0.5° |
| C24 | C26 | O5 | N7 | 179.1° | 179.6° |
| C24 | C26 | N7 | C27 | 179.5° | 174.8° |
| C24 | C26 | N7 | H32 | 0.5° | 5.3° |
| C26 | C24 | N6 | C14 | 170.5° | 173.6° |
| O5 | C26 | N7 | C27 | 0.3° | 4.7° |
| O5 | C26 | N7 | H32 | 179.7° | 175.1° |
| C27 | N7 | H32 | C26 | 180.0° | 179.9° |
| N7 | C27 | C28 | C29 | 121.0° | 119.4° |
| N7 | C27 | C28 | H33 | 120.2° | 119.7° |
| N7 | C27 | C29 | H33 | 120.0° | 120.7° |
| N7 | C27 | C28 | O6 | 174.5° | 76.8° |
| N7 | C27 | C29 | C30 | 58.3° | 65.0° |
| N7 | C27 | C29 | H34 | 62.6° | 55.0° |
| N7 | C27 | C29 | H35 | 179.3° | 174.9° |
| N7 | C27 | C28 | N8 | 6.1° | 103.2° |
| H32 | N7 | C27 | C28 | 92.7° | 114.6° |
| H32 | N7 | C27 | C29 | 27.9° | 4.8° |
| H32 | N7 | C27 | H33 | 147.5° | 125.6° |
| C28 | C27 | C29 | H33 | 118.8° | 120.9° |
| C27 | C28 | O6 | N8 | 179.3° | 180.0° |
| C28 | C27 | C29 | C30 | 179.5° | 176.6° |
| C28 | C27 | C29 | H34 | 58.5° | 63.4° |
| C28 | C27 | C29 | H35 | 59.6° | 56.6° |
| C27 | C28 | N8 | C33 | 177.5° | 176.4° |
| C27 | C28 | N8 | H43 | 2.5° | 3.8° |
| C28 | C27 | N7 | C26 | 87.3° | 65.5° |
| C29 | C27 | C28 | O6 | 64.5° | 42.5° |
| C27 | C29 | C30 | H34 | 121.0° | 120.0° |
| C27 | C29 | C30 | H35 | 121.0° | 120.0° |
| C27 | C29 | H34 | H35 | 117.0° | 119.9° |
| C27 | C29 | C30 | C31 | 179.6° | 175.0° |
| C27 | C29 | C30 | C32 | 58.6° | 65.0° |
| C27 | C29 | C30 | H36 | 61.3° | 55.0° |
| C29 | C27 | N7 | C26 | 152.1° | 175.1° |
| C29 | C27 | C28 | N8 | 114.9° | 137.5° |
| H33 | C27 | C28 | O6 | 54.3° | 163.5° |
| H33 | C27 | C29 | C30 | 61.7° | 55.7° |
| H33 | C27 | C29 | H34 | 177.4° | 175.7° |
| H33 | C27 | C29 | H35 | 59.3° | 64.4° |
| H33 | C27 | N7 | C26 | 32.6° | 54.2° |
| H33 | C27 | C28 | N8 | 126.3° | 16.5° |
| O6 | C28 | N8 | C33 | 1.9° | 3.6° |
| O6 | C28 | N8 | H43 | 178.1° | 176.2° |
| C30 | C29 | H34 | H35 | 117.0° | 120.0° |
| C29 | C30 | C31 | C32 | 122.7° | 120.0° |
| C29 | C30 | C31 | H36 | 118.2° | 120.0° |
| C29 | C30 | C32 | H36 | 119.8° | 120.0° |
| C29 | C30 | C31 | H37 | 180.0° | 60.0° |
| C29 | C30 | C31 | H38 | 60.0° | 179.9° |
| C29 | C30 | C31 | H39 | 60.0° | 60.0° |
| C29 | C30 | C32 | H40 | 180.0° | 60.1° |
| C29 | C30 | C32 | H41 | 60.0° | 60.0° |
| C29 | C30 | C32 | H42 | 60.0° | 180.0° |
| H34 | C29 | C30 | C31 | 58.7° | 55.0° |
| H34 | C29 | C30 | C32 | 179.5° | 175.0° |
| H34 | C29 | C30 | H36 | 59.7° | 65.0° |
| H35 | C29 | C30 | C31 | 59.4° | 65.0° |
| H35 | C29 | C30 | C32 | 62.4° | 55.0° |
| H35 | C29 | C30 | H36 | 177.8° | 175.0° |
| C31 | C30 | C32 | H36 | 119.2° | 120.0° |
| C30 | C31 | H37 | H38 | 120.0° | 120.0° |
| C30 | C31 | H37 | H39 | 120.0° | 120.0° |
| C30 | C31 | H38 | H39 | 120.0° | 120.1° |
| C31 | C30 | C32 | H40 | 58.9° | 59.9° |
| C31 | C30 | C32 | H41 | 61.0° | 180.0° |
| C31 | C30 | C32 | H42 | 178.9° | 60.0° |
| C32 | C30 | C31 | H37 | 57.3° | 60.0° |
| C32 | C30 | C31 | H38 | 177.3° | 60.0° |
| C32 | C30 | C31 | H39 | 62.7° | 180.0° |
| C30 | C32 | H40 | H41 | 120.0° | 120.0° |
| C30 | C32 | H40 | H42 | 120.0° | 119.9° |
| C30 | C32 | H41 | H42 | 120.0° | 119.9° |
| H36 | C30 | C31 | H37 | 61.8° | 180.0° |
| H36 | C30 | C31 | H38 | 58.2° | 60.0° |
| H36 | C30 | C31 | H39 | 178.2° | 60.0° |
| H36 | C30 | C32 | H40 | 60.2° | 180.0° |
| H36 | C30 | C32 | H41 | 179.8° | 60.0° |
| H36 | C30 | C32 | H42 | 59.8° | 60.0° |
| H37 | C31 | H38 | H39 | 119.9° | 120.0° |
| H40 | C32 | H41 | H42 | 120.0° | 120.1° |
| C33 | N8 | H43 | C28 | 180.0° | 179.8° |
| N8 | C33 | C34 | C35 | 121.7° | 119.2° |
| N8 | C33 | C34 | H44 | 119.0° | 120.8° |
| N8 | C33 | C35 | H44 | 118.7° | 120.1° |
| N8 | C33 | C34 | O7 | 129.1° | 20.0° |
| N8 | C33 | C35 | S1 | 0.8° | 98.9° |
| N8 | C33 | C35 | H45 | 119.8° | 21.1° |
| N8 | C33 | C35 | H46 | 121.5° | 141.1° |
| N8 | C33 | C34 | N9 | 51.7° | 160.0° |
| H43 | N8 | C33 | C34 | 89.1° | 78.5° |
| H43 | N8 | C33 | C35 | 34.4° | 41.1° |
| H43 | N8 | C33 | H44 | 152.5° | 160.9° |
| C34 | C33 | C35 | H44 | 119.3° | 120.1° |
| C33 | C34 | O7 | N9 | 179.2° | 180.0° |
| C34 | C33 | C35 | S1 | 122.8° | 141.3° |
| C34 | C33 | C35 | H45 | 2.1° | 98.7° |
| C34 | C33 | C35 | H46 | 116.5° | 21.3° |
| C33 | C34 | N9 | C36 | 176.9° | 174.8° |
| C33 | C34 | N9 | H47 | 3.1° | 5.2° |
| C34 | C33 | N8 | C28 | 90.9° | 101.3° |
| C35 | C33 | C34 | O7 | 7.4° | 99.2° |
| C33 | C35 | S1 | H45 | 120.7° | 120.0° |
| C33 | C35 | S1 | H46 | 120.7° | 120.0° |
| C33 | C35 | H45 | H46 | 117.9° | 120.0° |
| C33 | C35 | S1 | C11 | 79.6° | 159.8° |
| C35 | C33 | N8 | C28 | 145.6° | 139.1° |
| C35 | C33 | C34 | N9 | 173.4° | 80.9° |
| H44 | C33 | C34 | O7 | 111.9° | 140.8° |
| H44 | C33 | C35 | S1 | 117.9° | 21.1° |
| H44 | C33 | C35 | H45 | 121.4° | 141.2° |
| H44 | C33 | C35 | H46 | 2.8° | 98.8° |
| H44 | C33 | N8 | C28 | 27.5° | 19.3° |
| H44 | C33 | C34 | N9 | 67.3° | 39.2° |
| O7 | C34 | N9 | C36 | 2.4° | 5.2° |
| O7 | C34 | N9 | H47 | 177.6° | 174.8° |
| S1 | C35 | H45 | H46 | 117.9° | 120.0° |
| H45 | C35 | S1 | C11 | 159.7° | 39.8° |
| H46 | C35 | S1 | C11 | 41.1° | 80.2° |
| N9 | C36 | C37 | C38 | 130.2° | 119.7° |
| N9 | C36 | C37 | H48 | 115.4° | 120.7° |
| N9 | C36 | C38 | H48 | 115.0° | 120.2° |
| N9 | C36 | C37 | O8 | 97.7° | 109.4° |
| N9 | C36 | C38 | C39 | 29.4° | 73.2° |
| C36 | N9 | H47 | C34 | 180.0° | 180.0° |
| N9 | C36 | C38 | H49 | 85.4° | 166.8° |
| N9 | C36 | C37 | N10 | 83.6° | 70.8° |
| N9 | C36 | C38 | S2 | 162.2° | 46.6° |
| C37 | C36 | C38 | H48 | 114.7° | 119.8° |
| C36 | C37 | O8 | N10 | 178.6° | 179.8° |
| C37 | C36 | C38 | C39 | 100.9° | 166.9° |
| C37 | C36 | N9 | H47 | 46.1° | 31.5° |
| C37 | C36 | C38 | H49 | 144.3° | 46.9° |
| C36 | C37 | N10 | C40 | 166.6° | 173.7° |
| C36 | C37 | N10 | C44 | 14.0° | 6.7° |
| C37 | C36 | N9 | C34 | 133.9° | 148.5° |
| C37 | C36 | C38 | S2 | 31.9° | 73.3° |
| C38 | C36 | C37 | O8 | 32.5° | 10.3° |
| C36 | C38 | C39 | H49 | 114.6° | 120.2° |
| C36 | C38 | C39 | S2 | 133.8° | 120.0° |
| C38 | C36 | N9 | H47 | 84.6° | 88.0° |
| C36 | C38 | H49 | S2 | 120.9° | 120.3° |
| C36 | C38 | C39 | H50 | 180.0° | 61.2° |
| C36 | C38 | C39 | H51 | 60.0° | 178.8° |
| C36 | C38 | C39 | H52 | 60.0° | 58.9° |
| C36 | C38 | S2 | C49 | 104.0° | 122.3° |
| C38 | C36 | N9 | C34 | 95.4° | 92.0° |
| C38 | C36 | C37 | N10 | 146.2° | 169.5° |
| O8 | C37 | C36 | H48 | 146.9° | 129.9° |
| O8 | C37 | N10 | C40 | 12.1° | 6.6° |
| O8 | C37 | N10 | C44 | 167.4° | 173.1° |
| C39 | C38 | C36 | H48 | 144.4° | 47.1° |
| C39 | C38 | H49 | S2 | 118.7° | 119.7° |
| C38 | C39 | H50 | H51 | 120.0° | 120.0° |
| C38 | C39 | H50 | H52 | 120.0° | 120.1° |
| C38 | C39 | H51 | H52 | 120.0° | 120.0° |
| C39 | C38 | S2 | C49 | 29.0° | 117.9° |
| H47 | N9 | C36 | H48 | 161.1° | 152.1° |
| H48 | C36 | C38 | H49 | 29.6° | 72.9° |
| H48 | C36 | N9 | C34 | 19.0° | 27.9° |
| H48 | C36 | C37 | N10 | 31.7° | 49.9° |
| H48 | C36 | C38 | S2 | 82.8° | 166.9° |
| H49 | C38 | C39 | H50 | 65.4° | 59.0° |
| H49 | C38 | C39 | H51 | 174.6° | 61.0° |
| H49 | C38 | C39 | H52 | 54.6° | 179.1° |
| H49 | C38 | S2 | C49 | 142.3° | 1.9° |
| H50 | C39 | H51 | H52 | 120.0° | 120.0° |
| H50 | C39 | C38 | S2 | 46.3° | 178.8° |
| H51 | C39 | C38 | S2 | 73.8° | 58.9° |
| H52 | C39 | C38 | S2 | 166.3° | 61.1° |
| C40 | N10 | C44 | C37 | 179.5° | 179.7° |
| N10 | C40 | C41 | C42 | 118.0° | 118.1° |
| N10 | C40 | C41 | H53 | 122.9° | 120.4° |
| N10 | C40 | C42 | H53 | 114.1° | 120.0° |
| N10 | C40 | C41 | O9 | 75.7° | 81.5° |
| N10 | C40 | C42 | C43 | 38.5° | 6.6° |
| N10 | C40 | C42 | H54 | 80.3° | 112.8° |
| N10 | C40 | C42 | H55 | 157.4° | 125.7° |
| C40 | N10 | C44 | C43 | 13.9° | 18.7° |
| C40 | N10 | C44 | H58 | 105.2° | 100.8° |
| C40 | N10 | C44 | H59 | 132.8° | 138.0° |
| N10 | C40 | C41 | N11 | 102.2° | 98.0° |
| C44 | N10 | C40 | C41 | 157.3° | 135.0° |
| C44 | N10 | C40 | C42 | 33.5° | 15.8° |
| C44 | N10 | C40 | H53 | 80.2° | 104.4° |
| N10 | C44 | C43 | C42 | 11.5° | 14.1° |
| N10 | C44 | C43 | H58 | 119.0° | 119.9° |
| N10 | C44 | C43 | H59 | 119.0° | 119.6° |
| N10 | C44 | C43 | H56 | 131.1° | 104.8° |
| N10 | C44 | C43 | H57 | 108.1° | 133.4° |
| N10 | C44 | H58 | H59 | 122.9° | 121.3° |
| C41 | C40 | C42 | H53 | 119.0° | 121.5° |
| C40 | C41 | O9 | N11 | 177.7° | 179.6° |
| C41 | C40 | C42 | C43 | 165.4° | 125.0° |
| C41 | C40 | C42 | H54 | 46.6° | 5.6° |
| C41 | C40 | C42 | H55 | 75.7° | 115.9° |
| C40 | C41 | N11 | C45 | 174.1° | 176.3° |
| C40 | C41 | N11 | H60 | 5.9° | 3.3° |
| C41 | C40 | N10 | C37 | 22.3° | 45.4° |
| C42 | C40 | C41 | O9 | 42.4° | 36.6° |
| C40 | C42 | C43 | H54 | 118.9° | 119.2° |
| C40 | C42 | C43 | H55 | 118.9° | 119.4° |
| C40 | C42 | H54 | H55 | 123.3° | 121.8° |
| C40 | C42 | C43 | C44 | 31.5° | 4.5° |
| C40 | C42 | C43 | H56 | 151.0° | 114.6° |
| C40 | C42 | C43 | H57 | 88.1° | 123.7° |
| C42 | C40 | N10 | C37 | 146.0° | 164.5° |
| C42 | C40 | C41 | N11 | 139.8° | 143.9° |
| H53 | C40 | C41 | O9 | 161.4° | 158.1° |
| H53 | C40 | C42 | C43 | 75.6° | 113.5° |
| H53 | C40 | C42 | H54 | 165.5° | 127.1° |
| H53 | C40 | C42 | H55 | 43.3° | 5.6° |
| H53 | C40 | N10 | C37 | 100.3° | 75.2° |
| H53 | C40 | C41 | N11 | 20.7° | 22.4° |
| O9 | C41 | N11 | C45 | 3.7° | 3.3° |
| O9 | C41 | N11 | H60 | 176.3° | 177.2° |
| C43 | C42 | H54 | H55 | 123.2° | 121.4° |
| C42 | C43 | C44 | H56 | 119.6° | 118.9° |
| C42 | C43 | C44 | H57 | 119.6° | 119.3° |
| C42 | C43 | H56 | H57 | 121.3° | 121.9° |
| C42 | C43 | C44 | H58 | 130.5° | 105.8° |
| C42 | C43 | C44 | H59 | 107.5° | 133.7° |
| H54 | C42 | C43 | C44 | 87.4° | 123.7° |
| H54 | C42 | C43 | H56 | 32.1° | 4.6° |
| H54 | C42 | C43 | H57 | 153.0° | 117.2° |
| H55 | C42 | C43 | C44 | 150.4° | 114.9° |
| H55 | C42 | C43 | H56 | 90.1° | 126.0° |
| H55 | C42 | C43 | H57 | 30.8° | 4.3° |
| C44 | C43 | H56 | H57 | 121.3° | 121.7° |
| C43 | C44 | H58 | H59 | 122.9° | 120.3° |
| C43 | C44 | N10 | C37 | 165.7° | 161.7° |
| H56 | C43 | C44 | H58 | 109.9° | 135.3° |
| H56 | C43 | C44 | H59 | 12.1° | 14.9° |
| H57 | C43 | C44 | H58 | 11.0° | 13.5° |
| H57 | C43 | C44 | H59 | 132.9° | 106.9° |
| H58 | C44 | N10 | C37 | 75.3° | 78.9° |
| H59 | C44 | N10 | C37 | 46.7° | 42.4° |
| C45 | N11 | H60 | C41 | 180.0° | 179.5° |
| N11 | C45 | C46 | H61 | 120.2° | 118.9° |
| N11 | C45 | C46 | H62 | 120.2° | 119.7° |
| N11 | C45 | H61 | H62 | 119.5° | 121.4° |
| N11 | C45 | C46 | O10 | 158.5° | 129.8° |
| N11 | C45 | C46 | N12 | 20.0° | 50.1° |
| H60 | N11 | C45 | C46 | 62.2° | 86.4° |
| H60 | N11 | C45 | H61 | 58.0° | 32.1° |
| H60 | N11 | C45 | H62 | 177.6° | 153.8° |
| C46 | C45 | H61 | H62 | 119.5° | 121.0° |
| C45 | C46 | O10 | N12 | 178.4° | 179.9° |
| C45 | C46 | N12 | C47 | 177.6° | 179.1° |
| C45 | C46 | N12 | H63 | 2.5° | 1.4° |
| C46 | C45 | N11 | C41 | 117.8° | 93.1° |
| H61 | C45 | C46 | O10 | 38.3° | 111.3° |
| H61 | C45 | N11 | C41 | 122.0° | 148.3° |
| H61 | C45 | C46 | N12 | 140.1° | 68.8° |
| H62 | C45 | C46 | O10 | 81.3° | 10.0° |
| H62 | C45 | N11 | C41 | 2.4° | 26.6° |
| H62 | C45 | C46 | N12 | 100.2° | 169.9° |
| O10 | C46 | N12 | C47 | 4.0° | 1.0° |
| O10 | C46 | N12 | H63 | 176.0° | 178.6° |
| C47 | N12 | H63 | C46 | 180.0° | 179.5° |
| N12 | C47 | C48 | C49 | 123.2° | 118.0° |
| N12 | C47 | C48 | H64 | 120.7° | 121.4° |
| N12 | C47 | C49 | H64 | 117.1° | 120.6° |
| N12 | C47 | C48 | O11 | 174.6° | 21.7° |
| N12 | C47 | C49 | S2 | 68.4° | 91.2° |
| N12 | C47 | C49 | H65 | 170.8° | 28.4° |
| N12 | C47 | C49 | H66 | 52.4° | 148.9° |
| N12 | C47 | C48 | N13 | 6.4° | 158.3° |
| H63 | N12 | C47 | C48 | 97.9° | 73.8° |
| H63 | N12 | C47 | C49 | 25.4° | 45.7° |
| H63 | N12 | C47 | H64 | 141.9° | 165.7° |
| C48 | C47 | C49 | H64 | 116.1° | 120.1° |
| C47 | C48 | O11 | N13 | 178.9° | 180.0° |
| C48 | C47 | C49 | S2 | 58.4° | 149.5° |
| C48 | C47 | C49 | H65 | 62.4° | 90.9° |
| C48 | C47 | C49 | H66 | 179.2° | 29.6° |
| C47 | C48 | N13 | C50 | 179.5° | 174.0° |
| C47 | C48 | N13 | H67 | 0.5° | 6.1° |
| C48 | C47 | N12 | C46 | 82.1° | 106.7° |
| C49 | C47 | C48 | O11 | 51.4° | 96.3° |
| C47 | C49 | S2 | H65 | 120.8° | 119.2° |
| C47 | C49 | S2 | H66 | 120.8° | 120.1° |
| C47 | C49 | H65 | H66 | 117.4° | 120.3° |
| C47 | C49 | S2 | C38 | 147.4° | 139.4° |
| C49 | C47 | N12 | C46 | 154.6° | 133.9° |
| C49 | C47 | C48 | N13 | 129.6° | 83.7° |
| H64 | C47 | C48 | O11 | 64.7° | 143.2° |
| H64 | C47 | C49 | S2 | 174.5° | 29.4° |
| H64 | C47 | C49 | H65 | 53.7° | 149.0° |
| H64 | C47 | C49 | H66 | 64.7° | 90.5° |
| H64 | C47 | N12 | C46 | 38.1° | 13.8° |
| H64 | C47 | C48 | N13 | 114.3° | 36.8° |
| O11 | C48 | N13 | C50 | 0.5° | 6.0° |
| O11 | C48 | N13 | H67 | 179.5° | 174.0° |
| S2 | C49 | H65 | H66 | 117.4° | 120.3° |
| H65 | C49 | S2 | C38 | 91.7° | 20.2° |
| H66 | C49 | S2 | C38 | 26.6° | 100.5° |
| C50 | N13 | H67 | C48 | 180.0° | 180.0° |
| N13 | C50 | C51 | C52 | 126.8° | 120.0° |
| N13 | C50 | C51 | H68 | 117.5° | 120.1° |
| N13 | C50 | C52 | H68 | 117.5° | 120.1° |
| N13 | C50 | C51 | O12 | 38.0° | 1.1° |
| N13 | C50 | C52 | O13 | 37.1° | 65.0° |
| N13 | C50 | C52 | C53 | 156.3° | 55.0° |
| N13 | C50 | C52 | H69 | 83.3° | 175.1° |
| N13 | C50 | C51 | N14 | 139.1° | 178.8° |
| H67 | N13 | C50 | C51 | 105.7° | 27.7° |
| H67 | N13 | C50 | C52 | 128.3° | 92.3° |
| H67 | N13 | C50 | H68 | 11.4° | 147.7° |
| C51 | C50 | C52 | H68 | 115.8° | 119.9° |
| C50 | C51 | O12 | N14 | 176.9° | 179.9° |
| C51 | C50 | C52 | O13 | 163.8° | 55.0° |
| C51 | C50 | C52 | C53 | 77.0° | 175.0° |
| C51 | C50 | C52 | H69 | 43.3° | 64.9° |
| C50 | C51 | N14 | C54 | 175.1° | 174.9° |
| C50 | C51 | N14 | H74 | 4.9° | 5.2° |
| C51 | C50 | N13 | C48 | 74.3° | 152.3° |
| C52 | C50 | C51 | O12 | 88.8° | 121.2° |
| C50 | C52 | O13 | C53 | 121.8° | 120.0° |
| C50 | C52 | O13 | H69 | 119.3° | 120.0° |
| C50 | C52 | C53 | H69 | 119.9° | 120.1° |
| C50 | C52 | O13 | H70 | 180.0° | 179.9° |
| C50 | C52 | C53 | H71 | 180.0° | 60.0° |
| C50 | C52 | C53 | H72 | 60.0° | 59.9° |
| C50 | C52 | C53 | H73 | 60.0° | 180.0° |
| C52 | C50 | N13 | C48 | 51.7° | 87.7° |
| C52 | C50 | C51 | N14 | 94.1° | 58.8° |
| H68 | C50 | C51 | O12 | 155.5° | 118.9° |
| H68 | C50 | C52 | O13 | 80.4° | 174.9° |
| H68 | C50 | C52 | C53 | 38.8° | 65.1° |
| H68 | C50 | C52 | H69 | 159.2° | 55.0° |
| H68 | C50 | N13 | C48 | 168.6° | 32.3° |
| H68 | C50 | C51 | N14 | 21.6° | 61.2° |
| O12 | C51 | N14 | C54 | 2.0° | 5.2° |
| O12 | C51 | N14 | H74 | 178.0° | 174.8° |
| O13 | C52 | C53 | H69 | 119.6° | 119.9° |
| O13 | C52 | C53 | H71 | 59.6° | 180.0° |
| O13 | C52 | C53 | H72 | 179.6° | 60.1° |
| O13 | C52 | C53 | H73 | 60.4° | 60.0° |
| C53 | C52 | O13 | H70 | 58.2° | 59.9° |
| C52 | C53 | H71 | H72 | 120.0° | 120.0° |
| C52 | C53 | H71 | H73 | 120.0° | 120.0° |
| C52 | C53 | H72 | H73 | 120.0° | 120.1° |
| H69 | C52 | O13 | H70 | 60.7° | 60.0° |
| H69 | C52 | C53 | H71 | 60.0° | 60.0° |
| H69 | C52 | C53 | H72 | 59.9° | 180.0° |
| H69 | C52 | C53 | H73 | 180.0° | 59.9° |
| H71 | C53 | H72 | H73 | 120.0° | 120.0° |
| C54 | N14 | H74 | C51 | 180.0° | 180.0° |
| N14 | C54 | C55 | C56 | 129.7° | 122.4° |
| N14 | C54 | C55 | H75 | 115.9° | 118.8° |
| N14 | C54 | C56 | H75 | 113.0° | 118.4° |
| N14 | C54 | C55 | H76 | 82.3° | 159.5° |
| N14 | C54 | C55 | H77 | 36.1° | 39.0° |
| N14 | C54 | C56 | O14 | 111.0° | 129.5° |
| N14 | C54 | C55 | S3 | 156.9° | 80.9° |
| N14 | C54 | C56 | N15 | 62.8° | 50.6° |
| H74 | N14 | C54 | C55 | 126.7° | 107.5° |
| H74 | N14 | C54 | C56 | 5.0° | 15.5° |
| H74 | N14 | C54 | H75 | 117.7° | 133.5° |
| C55 | C54 | C56 | H75 | 114.3° | 119.4° |
| C54 | C55 | H76 | H77 | 117.5° | 120.6° |
| C54 | C55 | H76 | S3 | 125.0° | 119.5° |
| C54 | C55 | H77 | S3 | 125.0° | 119.6° |
| C55 | C54 | C56 | O14 | 116.3° | 108.3° |
| C54 | C55 | S3 | C77 | 151.4° | 36.0° |
| C55 | C54 | N14 | C51 | 53.3° | 72.5° |
| C55 | C54 | C56 | N15 | 69.9° | 71.7° |
| C56 | C54 | C55 | H76 | 47.5° | 37.1° |
| C56 | C54 | C55 | H77 | 165.8° | 83.5° |
| C54 | C56 | O14 | N15 | 173.9° | 180.0° |
| C54 | C56 | N15 | C57 | 167.8° | 174.4° |
| C54 | C56 | N15 | C61 | 8.2° | 5.9° |
| C56 | C54 | N14 | C51 | 175.0° | 164.6° |
| C56 | C54 | C55 | S3 | 73.4° | 156.7° |
| H75 | C54 | C55 | H76 | 161.8° | 81.7° |
| H75 | C54 | C55 | H77 | 79.8° | 157.8° |
| H75 | C54 | C56 | O14 | 2.0° | 11.1° |
| H75 | C54 | N14 | C51 | 62.3° | 46.5° |
| H75 | C54 | C55 | S3 | 41.0° | 37.9° |
| H75 | C54 | C56 | N15 | 175.8° | 169.0° |
| H76 | C55 | H77 | S3 | 117.5° | 119.9° |
| H76 | C55 | S3 | C77 | 87.8° | 83.7° |
| H77 | C55 | S3 | C77 | 30.6° | 156.1° |
| O14 | C56 | N15 | C57 | 5.8° | 5.6° |
| O14 | C56 | N15 | C61 | 178.1° | 174.1° |
| C57 | N15 | C61 | C56 | 176.5° | 179.8° |
| N15 | C57 | C58 | C59 | 116.5° | 118.8° |
| N15 | C57 | C58 | H78 | 124.1° | 120.4° |
| N15 | C57 | C59 | H78 | 116.0° | 119.0° |
| N15 | C57 | C58 | O15 | 148.5° | 58.7° |
| N15 | C57 | C59 | C60 | 25.7° | 11.7° |
| N15 | C57 | C59 | H79 | 93.6° | 130.9° |
| N15 | C57 | C59 | H80 | 144.9° | 107.3° |
| C57 | N15 | C61 | C60 | 19.7° | 14.0° |
| C57 | N15 | C61 | H82 | 138.6° | 105.2° |
| C57 | N15 | C61 | H83 | 99.2° | 133.5° |
| N15 | C57 | C58 | N16 | 29.5° | 121.0° |
| C61 | N15 | C57 | C58 | 124.2° | 121.0° |
| C61 | N15 | C57 | C59 | 3.4° | 1.3° |
| C61 | N15 | C57 | H78 | 112.1° | 118.0° |
| N15 | C61 | C60 | C59 | 35.6° | 20.7° |
| N15 | C61 | C60 | H82 | 118.9° | 119.9° |
| N15 | C61 | C60 | H83 | 118.9° | 120.0° |
| N15 | C61 | C60 | O16 | 82.4° | 139.5° |
| N15 | C61 | C60 | H81 | 154.1° | 97.9° |
| N15 | C61 | H82 | H83 | 123.1° | 121.6° |
| C58 | C57 | C59 | H78 | 119.5° | 121.1° |
| C57 | C58 | O15 | N16 | 177.9° | 179.7° |
| C58 | C57 | C59 | C60 | 150.1° | 108.2° |
| C58 | C57 | C59 | H79 | 30.9° | 11.0° |
| C58 | C57 | C59 | H80 | 90.6° | 132.7° |
| C57 | C58 | N16 | C62 | 176.8° | 0.1° |
| C57 | C58 | N16 | H85 | 3.3° | 179.6° |
| C58 | C57 | N15 | C56 | 59.2° | 58.8° |
| C59 | C57 | C58 | O15 | 94.9° | 60.0° |
| C57 | C59 | C60 | H79 | 119.2° | 119.2° |
| C57 | C59 | C60 | H80 | 119.2° | 119.1° |
| C57 | C59 | H79 | H80 | 122.3° | 121.9° |
| C57 | C59 | C60 | C61 | 38.7° | 19.4° |
| C57 | C59 | C60 | O16 | 79.5° | 138.2° |
| C57 | C59 | C60 | H81 | 157.0° | 99.2° |
| C59 | C57 | N15 | C56 | 179.9° | 178.5° |
| C59 | C57 | C58 | N16 | 87.1° | 120.3° |
| H78 | C57 | C58 | O15 | 24.5° | 179.2° |
| H78 | C57 | C59 | C60 | 90.4° | 130.7° |
| H78 | C57 | C59 | H79 | 150.4° | 110.1° |
| H78 | C57 | C59 | H80 | 28.9° | 11.7° |
| H78 | C57 | N15 | C56 | 64.6° | 62.2° |
| H78 | C57 | C58 | N16 | 153.5° | 0.5° |
| O15 | C58 | N16 | C62 | 1.2° | 179.6° |
| O15 | C58 | N16 | H85 | 178.8° | 0.7° |
| C60 | C59 | H79 | H80 | 122.3° | 121.7° |
| C59 | C60 | C61 | O16 | 118.1° | 118.8° |
| C59 | C60 | C61 | H81 | 118.5° | 118.6° |
| C59 | C60 | O16 | H81 | 122.9° | 122.4° |
| C59 | C60 | C61 | H82 | 154.6° | 99.2° |
| C59 | C60 | C61 | H83 | 83.3° | 140.7° |
| C59 | C60 | O16 | H84 | 180.0° | 180.0° |
| H79 | C59 | C60 | C61 | 80.6° | 138.6° |
| H79 | C59 | C60 | O16 | 161.2° | 102.6° |
| H79 | C59 | C60 | H81 | 37.8° | 20.0° |
| H80 | C59 | C60 | C61 | 157.9° | 99.7° |
| H80 | C59 | C60 | O16 | 39.7° | 19.1° |
| H80 | C59 | C60 | H81 | 83.7° | 141.6° |
| C61 | C60 | O16 | H81 | 122.7° | 122.5° |
| C60 | C61 | H82 | H83 | 123.1° | 119.9° |
| C61 | C60 | O16 | H84 | 65.6° | 64.9° |
| C60 | C61 | N15 | C56 | 156.7° | 165.8° |
| O16 | C60 | C61 | H82 | 36.5° | 19.6° |
| O16 | C60 | C61 | H83 | 158.7° | 100.5° |
| H81 | C60 | C61 | H82 | 87.0° | 142.3° |
| H81 | C60 | C61 | H83 | 35.2° | 22.1° |
| H81 | C60 | O16 | H84 | 57.2° | 57.6° |
| H82 | C61 | N15 | C56 | 37.8° | 75.0° |
| H83 | C61 | N15 | C56 | 84.3° | 46.3° |
| C62 | N16 | H85 | C58 | 180.0° | 179.7° |
| N16 | C62 | C63 | H86 | 120.7° | 119.7° |
| N16 | C62 | C63 | H87 | 120.6° | 119.8° |
| N16 | C62 | H86 | H87 | 118.0° | 120.7° |
| N16 | C62 | C63 | O17 | 158.8° | 75.1° |
| N16 | C62 | C63 | N17 | 18.5° | 104.8° |
| H85 | N16 | C62 | C63 | 71.1° | 6.2° |
| H85 | N16 | C62 | H86 | 49.5° | 125.9° |
| H85 | N16 | C62 | H87 | 168.2° | 113.5° |
| C63 | C62 | H86 | H87 | 118.1° | 120.4° |
| C62 | C63 | O17 | N17 | 177.2° | 179.9° |
| C62 | C63 | N17 | C64 | 175.3° | 178.3° |
| C62 | C63 | N17 | H88 | 4.7° | 1.9° |
| C63 | C62 | N16 | C58 | 108.8° | 174.0° |
| H86 | C62 | C63 | O17 | 38.2° | 165.2° |
| H86 | C62 | N16 | C58 | 130.5° | 54.4° |
| H86 | C62 | C63 | N17 | 139.1° | 15.0° |
| H87 | C62 | C63 | O17 | 80.6° | 44.7° |
| H87 | C62 | N16 | C58 | 11.8° | 66.2° |
| H87 | C62 | C63 | N17 | 102.1° | 135.4° |
| O17 | C63 | N17 | C64 | 1.9° | 1.5° |
| O17 | C63 | N17 | H88 | 178.0° | 178.3° |
| C64 | N17 | H88 | C63 | 180.0° | 179.8° |
| N17 | C64 | C65 | H89 | 119.9° | 120.0° |
| N17 | C64 | C65 | H90 | 119.9° | 120.7° |
| N17 | C64 | H89 | H90 | 120.4° | 119.5° |
| N17 | C64 | C65 | O18 | 48.1° | 79.0° |
| N17 | C64 | C65 | N18 | 128.4° | 100.7° |
| H88 | N17 | C64 | C65 | 112.9° | 14.0° |
| H88 | N17 | C64 | H89 | 127.2° | 134.0° |
| H88 | N17 | C64 | H90 | 7.0° | 106.7° |
| C65 | C64 | H89 | H90 | 120.3° | 119.5° |
| C64 | C65 | O18 | N18 | 176.2° | 179.7° |
| C64 | C65 | N18 | C66 | 175.2° | 174.8° |
| C64 | C65 | N18 | H91 | 4.8° | 5.1° |
| C65 | C64 | N17 | C63 | 67.1° | 165.7° |
| H89 | C64 | C65 | O18 | 167.9° | 41.0° |
| H89 | C64 | N17 | C63 | 52.7° | 45.8° |
| H89 | C64 | C65 | N18 | 8.5° | 139.3° |
| H90 | C64 | C65 | O18 | 71.8° | 160.3° |
| H90 | C64 | N17 | C63 | 173.0° | 73.6° |
| H90 | C64 | C65 | N18 | 111.7° | 20.0° |
| O18 | C65 | N18 | C66 | 1.1° | 5.4° |
| O18 | C65 | N18 | H91 | 178.9° | 174.6° |
| C66 | N18 | H91 | C65 | 180.0° | 179.9° |
| N18 | C66 | C67 | H92 | 120.3° | 121.5° |
| N18 | C66 | C67 | H93 | 120.3° | 120.6° |
| N18 | C66 | H92 | H93 | 119.1° | 118.5° |
| N18 | C66 | C67 | O19 | 104.8° | 91.1° |
| N18 | C66 | C67 | N19 | 73.9° | 88.8° |
| H91 | N18 | C66 | C67 | 96.8° | 43.8° |
| H91 | N18 | C66 | H92 | 23.5° | 165.1° |
| H91 | N18 | C66 | H93 | 142.9° | 76.8° |
| C67 | C66 | H92 | H93 | 119.1° | 118.2° |
| C66 | C67 | O19 | N19 | 178.6° | 179.9° |
| C66 | C67 | N19 | C68 | 179.2° | 163.7° |
| C66 | C67 | N19 | H94 | 0.8° | 16.4° |
| C67 | C66 | N18 | C65 | 83.2° | 136.3° |
| H92 | C66 | C67 | O19 | 15.5° | 147.4° |
| H92 | C66 | N18 | C65 | 156.5° | 15.0° |
| H92 | C66 | C67 | N19 | 165.8° | 32.7° |
| H93 | C66 | C67 | O19 | 134.9° | 29.5° |
| H93 | C66 | N18 | C65 | 37.1° | 103.2° |
| H93 | C66 | C67 | N19 | 46.4° | 150.6° |
| O19 | C67 | N19 | C68 | 0.6° | 16.4° |
| O19 | C67 | N19 | H94 | 179.4° | 163.5° |
| C68 | N19 | H94 | C67 | 180.0° | 179.9° |
| N19 | C68 | C69 | C70 | 124.0° | 124.7° |
| N19 | C68 | C69 | H95 | 118.3° | 117.9° |
| N19 | C68 | C70 | H95 | 118.2° | 121.1° |
| N19 | C68 | C69 | H96 | 109.3° | 109.3° |
| N19 | C68 | C69 | H97 | 9.2° | 11.1° |
| N19 | C68 | C70 | O20 | 44.9° | 105.1° |
| N19 | C68 | C69 | S4 | 130.0° | 131.6° |
| N19 | C68 | C70 | N20 | 133.4° | 75.6° |
| H94 | N19 | C68 | C69 | 76.7° | 33.6° |
| H94 | N19 | C68 | C70 | 47.6° | 88.4° |
| H94 | N19 | C68 | H95 | 165.4° | 150.5° |
| C69 | C68 | C70 | H95 | 117.7° | 116.4° |
| C68 | C69 | H96 | H97 | 117.8° | 120.3° |
| C68 | C69 | H96 | S4 | 124.5° | 119.0° |
| C68 | C69 | H97 | S4 | 124.5° | 120.0° |
| C69 | C68 | C70 | O20 | 79.2° | 132.4° |
| C68 | C69 | S4 | C92 | 145.5° | 176.5° |
| C69 | C68 | N19 | C67 | 103.3° | 146.5° |
| C69 | C68 | C70 | N20 | 102.5° | 47.0° |
| C70 | C68 | C69 | H96 | 14.6° | 15.5° |
| C70 | C68 | C69 | H97 | 133.2° | 135.8° |
| C68 | C70 | O20 | N20 | 178.1° | 179.3° |
| C68 | C70 | N20 | C71 | 176.2° | 164.0° |
| C68 | C70 | N20 | H98 | 3.8° | 15.9° |
| C70 | C68 | N19 | C67 | 132.4° | 91.4° |
| C70 | C68 | C69 | S4 | 106.1° | 103.7° |
| H95 | C68 | C69 | H96 | 132.3° | 132.8° |
| H95 | C68 | C69 | H97 | 109.1° | 106.9° |
| H95 | C68 | C70 | O20 | 163.1° | 16.0° |
| H95 | C68 | N19 | C67 | 14.5° | 29.6° |
| H95 | C68 | C69 | S4 | 11.6° | 13.6° |
| H95 | C68 | C70 | N20 | 15.2° | 163.3° |
| H96 | C69 | H97 | S4 | 117.8° | 120.4° |
| H96 | C69 | S4 | C92 | 24.8° | 64.8° |
| H97 | C69 | S4 | C92 | 93.7° | 56.0° |
| O20 | C70 | N20 | C71 | 2.1° | 15.3° |
| O20 | C70 | N20 | H98 | 178.0° | 164.7° |
| C71 | N20 | H98 | C70 | 180.0° | 180.0° |
| N20 | C71 | C72 | C73 | 124.8° | 120.3° |
| N20 | C71 | C72 | H99 | 120.1° | 120.6° |
| N20 | C71 | C73 | H99 | 115.9° | 120.2° |
| N20 | C71 | C72 | O21 | 142.7° | 2.4° |
| N20 | C71 | C73 | C74 | 54.6° | 58.5° |
| N20 | C71 | C73 | H100 | 65.8° | 178.6° |
| N20 | C71 | C73 | H101 | 175.0° | 61.4° |
| N20 | C71 | C72 | N22 | 36.8° | 177.1° |
| H98 | N20 | C71 | C72 | 134.6° | 5.9° |
| H98 | N20 | C71 | C73 | 100.7° | 113.6° |
| H98 | N20 | C71 | H99 | 14.9° | 126.3° |
| C72 | C71 | C73 | H99 | 114.9° | 119.1° |
| C71 | C72 | O21 | N22 | 179.5° | 179.5° |
| C72 | C71 | C73 | C74 | 176.2° | 62.2° |
| C72 | C71 | C73 | H100 | 63.4° | 57.8° |
| C72 | C71 | C73 | H101 | 55.8° | 177.8° |
| C71 | C72 | N22 | C75 | 178.1° | 161.1° |
| C71 | C72 | N22 | H104 | 1.9° | 19.9° |
| C72 | C71 | N20 | C70 | 45.5° | 174.1° |
| C73 | C71 | C72 | O21 | 17.9° | 117.9° |
| C71 | C73 | C74 | H100 | 120.4° | 120.0° |
| C71 | C73 | C74 | H101 | 120.4° | 120.0° |
| C71 | C73 | H100 | H101 | 118.8° | 120.0° |
| C71 | C73 | C74 | O22 | 55.9° | 5.8° |
| C71 | C73 | C74 | N21 | 122.1° | 174.2° |
| C73 | C71 | N20 | C70 | 79.2° | 66.4° |
| C73 | C71 | C72 | N22 | 161.6° | 62.6° |
| H99 | C71 | C72 | O21 | 97.1° | 123.0° |
| H99 | C71 | C73 | C74 | 61.3° | 178.7° |
| H99 | C71 | C73 | H100 | 178.3° | 61.3° |
| H99 | C71 | C73 | H101 | 59.1° | 58.7° |
| H99 | C71 | N20 | C70 | 165.2° | 53.6° |
| H99 | C71 | C72 | N22 | 83.4° | 56.5° |
| O21 | C72 | N22 | C75 | 2.4° | 19.4° |
| O21 | C72 | N22 | H104 | 177.6° | 159.6° |
| C74 | C73 | H100 | H101 | 118.7° | 120.0° |
| C73 | C74 | O22 | N21 | 177.9° | 179.9° |
| C73 | C74 | N21 | H102 | 178.0° | 0.0° |
| C73 | C74 | N21 | H103 | 2.0° | 180.0° |
| H100 | C73 | C74 | O22 | 176.3° | 125.8° |
| H100 | C73 | C74 | N21 | 1.7° | 54.2° |
| H101 | C73 | C74 | O22 | 64.5° | 114.2° |
| H101 | C73 | C74 | N21 | 117.5° | 65.8° |
| O22 | C74 | N21 | H102 | 0.0° | 180.0° |
| O22 | C74 | N21 | H103 | 180.0° | 0.0° |
| C74 | N21 | H102 | H103 | 180.0° | 180.0° |
| C75 | N22 | H104 | C72 | 180.0° | 179.1° |
| N22 | C75 | C76 | C77 | 126.4° | 120.9° |
| N22 | C75 | C76 | H105 | 118.3° | 118.8° |
| N22 | C75 | C77 | H105 | 116.3° | 121.4° |
| N22 | C75 | C76 | O23 | 148.1° | 178.0° |
| N22 | C75 | C77 | S3 | 75.5° | 149.7° |
| N22 | C75 | C77 | H106 | 163.4° | 29.4° |
| N22 | C75 | C77 | H107 | 45.6° | 90.0° |
| N22 | C75 | C76 | N23 | 33.9° | 1.8° |
| H104 | N22 | C75 | C76 | 43.5° | 90.0° |
| H104 | N22 | C75 | C77 | 82.8° | 150.4° |
| H104 | N22 | C75 | H105 | 161.4° | 28.3° |
| C76 | C75 | C77 | H105 | 115.3° | 119.1° |
| C75 | C76 | O23 | N23 | 177.9° | 179.8° |
| C76 | C75 | C77 | S3 | 52.8° | 90.8° |
| C76 | C75 | C77 | H106 | 68.3° | 149.0° |
| C76 | C75 | C77 | H107 | 173.9° | 29.6° |
| C75 | C76 | N23 | C78 | 173.4° | 179.8° |
| C75 | C76 | N23 | H108 | 6.6° | 0.5° |
| C76 | C75 | N22 | C72 | 136.5° | 89.1° |
| C77 | C75 | C76 | O23 | 21.7° | 61.1° |
| C75 | C77 | S3 | H106 | 121.1° | 120.3° |
| C75 | C77 | S3 | H107 | 121.1° | 120.0° |
| C75 | C77 | H106 | H107 | 116.5° | 119.3° |
| C75 | C77 | S3 | C55 | 158.4° | 168.2° |
| C77 | C75 | N22 | C72 | 97.3° | 30.5° |
| C77 | C75 | C76 | N23 | 160.3° | 119.1° |
| H105 | C75 | C76 | O23 | 93.6° | 59.2° |
| H105 | C75 | C77 | S3 | 168.1° | 28.3° |
| H105 | C75 | C77 | H106 | 47.0° | 92.0° |
| H105 | C75 | C77 | H107 | 70.8° | 148.6° |
| H105 | C75 | N22 | C72 | 18.6° | 152.6° |
| H105 | C75 | C76 | N23 | 84.4° | 120.6° |
| O23 | C76 | N23 | C78 | 4.6° | 0.0° |
| O23 | C76 | N23 | H108 | 175.4° | 179.3° |
| S3 | C77 | H106 | H107 | 116.4° | 120.0° |
| H106 | C77 | S3 | C55 | 37.3° | 47.9° |
| H107 | C77 | S3 | C55 | 80.5° | 71.9° |
| C78 | N23 | H108 | C76 | 180.0° | 179.3° |
| N23 | C78 | C79 | C80 | 131.2° | 118.3° |
| N23 | C78 | C79 | H109 | 114.2° | 121.5° |
| N23 | C78 | C80 | H109 | 116.4° | 121.9° |
| N23 | C78 | C79 | H110 | 39.7° | 26.7° |
| N23 | C78 | C79 | H111 | 157.8° | 146.8° |
| N23 | C78 | C80 | O24 | 132.8° | 163.9° |
| N23 | C78 | C79 | S5 | 81.2° | 93.5° |
| N23 | C78 | C80 | N24 | 46.5° | 16.4° |
| H108 | N23 | C78 | C79 | 25.6° | 52.9° |
| H108 | N23 | C78 | C80 | 104.6° | 64.8° |
| H108 | N23 | C78 | H109 | 139.4° | 173.8° |
| C79 | C78 | C80 | H109 | 114.6° | 120.1° |
| C78 | C79 | H110 | H111 | 117.0° | 119.9° |
| C78 | C79 | H110 | S5 | 126.1° | 119.4° |
| C78 | C79 | H111 | S5 | 126.1° | 119.0° |
| C79 | C78 | C80 | O24 | 3.8° | 78.0° |
| C78 | C79 | S5 | C93 | 82.1° | 110.9° |
| C79 | C78 | N23 | C76 | 154.4° | 126.4° |
| C79 | C78 | C80 | N24 | 175.6° | 101.7° |
| C80 | C78 | C79 | H110 | 170.9° | 145.0° |
| C80 | C78 | C79 | H111 | 71.0° | 94.9° |
| C78 | C80 | O24 | N24 | 179.3° | 179.7° |
| C78 | C80 | N24 | C81 | 172.3° | 177.6° |
| C78 | C80 | N24 | H112 | 7.7° | 2.8° |
| C80 | C78 | N23 | C76 | 75.4° | 115.9° |
| C80 | C78 | C79 | S5 | 50.0° | 24.8° |
| H109 | C78 | C79 | H110 | 74.4° | 94.9° |
| H109 | C78 | C79 | H111 | 43.6° | 25.3° |
| H109 | C78 | C80 | O24 | 110.8° | 42.1° |
| H109 | C78 | N23 | C76 | 40.6° | 5.4° |
| H109 | C78 | C79 | S5 | 164.6° | 145.0° |
| H109 | C78 | C80 | N24 | 69.9° | 138.2° |
| H110 | C79 | H111 | S5 | 117.0° | 120.8° |
| H110 | C79 | S5 | C93 | 38.8° | 9.1° |
| H111 | C79 | S5 | C93 | 156.9° | 129.8° |
| O24 | C80 | N24 | C81 | 7.1° | 2.7° |
| O24 | C80 | N24 | H112 | 173.0° | 176.9° |
| C81 | N24 | H112 | C80 | 180.0° | 179.6° |
| N24 | C81 | C82 | C83 | 119.8° | 120.9° |
| N24 | C81 | C82 | H113 | 119.4° | 118.9° |
| N24 | C81 | C83 | H113 | 122.9° | 119.7° |
| N24 | C81 | C82 | O25 | 136.5° | 94.2° |
| N24 | C81 | C83 | C84 | 63.3° | 172.6° |
| N24 | C81 | C83 | H114 | 57.4° | 52.6° |
| N24 | C81 | C83 | H115 | 176.1° | 67.4° |
| N24 | C81 | C82 | N25 | 38.6° | 85.9° |
| H112 | N24 | C81 | C82 | 117.0° | 70.9° |
| H112 | N24 | C81 | C83 | 1.5° | 50.6° |
| H112 | N24 | C81 | H113 | 124.0° | 170.3° |
| C82 | C81 | C83 | H113 | 120.9° | 120.1° |
| C81 | C82 | O25 | N25 | 174.6° | 179.9° |
| C82 | C81 | C83 | C84 | 179.5° | 67.2° |
| C82 | C81 | C83 | H114 | 58.9° | 172.9° |
| C82 | C81 | C83 | H115 | 59.8° | 52.9° |
| C81 | C82 | N25 | C90 | 171.2° | 168.3° |
| C81 | C82 | N25 | H121 | 8.8° | 12.3° |
| C82 | C81 | N24 | C80 | 63.0° | 108.7° |
| C83 | C81 | C82 | O25 | 103.7° | 144.9° |
| C81 | C83 | C84 | H114 | 120.6° | 120.0° |
| C81 | C83 | C84 | H115 | 120.6° | 120.0° |
| C81 | C83 | H114 | H115 | 118.0° | 120.0° |
| C81 | C83 | C84 | C85 | 87.1° | 92.6° |
| C81 | C83 | C84 | C86 | 94.1° | 87.6° |
| C83 | C81 | N24 | C80 | 178.5° | 129.8° |
| C83 | C81 | C82 | N25 | 81.2° | 35.0° |
| H113 | C81 | C82 | O25 | 17.1° | 24.6° |
| H113 | C81 | C83 | C84 | 59.6° | 52.9° |
| H113 | C81 | C83 | H114 | 179.8° | 67.1° |
| H113 | C81 | C83 | H115 | 61.1° | 172.9° |
| H113 | C81 | N24 | C80 | 56.0° | 10.0° |
| H113 | C81 | C82 | N25 | 158.0° | 155.2° |
| O25 | C82 | N25 | C90 | 3.8° | 11.8° |
| O25 | C82 | N25 | H121 | 176.2° | 167.5° |
| C84 | C83 | H114 | H115 | 118.0° | 120.0° |
| C83 | C84 | C85 | C86 | 178.8° | 179.7° |
| C83 | C84 | C85 | C87 | 178.3° | 180.0° |
| C83 | C84 | C85 | H116 | 1.7° | 0.0° |
| C83 | C84 | C86 | C88 | 178.6° | 180.0° |
| C83 | C84 | C86 | H117 | 1.5° | 0.0° |
| H114 | C83 | C84 | C85 | 152.3° | 27.3° |
| H114 | C83 | C84 | C86 | 26.5° | 152.4° |
| H115 | C83 | C84 | C85 | 33.6° | 147.3° |
| H115 | C83 | C84 | C86 | 145.2° | 32.4° |
| C84 | C85 | C87 | H116 | 180.0° | 180.0° |
| C85 | C84 | C86 | C88 | 0.2° | 0.2° |
| C85 | C84 | C86 | H117 | 179.7° | 179.7° |
| C84 | C85 | C87 | C89 | 0.3° | 0.0° |
| C84 | C85 | C87 | H118 | 179.7° | 180.0° |
| C86 | C84 | C85 | C87 | 0.5° | 0.2° |
| C86 | C84 | C85 | H116 | 179.5° | 179.7° |
| C84 | C86 | C88 | H117 | 180.0° | 179.9° |
| C84 | C86 | C88 | C89 | 0.2° | 0.0° |
| C84 | C86 | C88 | H119 | 179.8° | 180.0° |
| C85 | C87 | C89 | H118 | 180.0° | 179.9° |
| C85 | C87 | C89 | C88 | 0.2° | 0.3° |
| C85 | C87 | C89 | H120 | 179.8° | 180.0° |
| H116 | C85 | C87 | C89 | 179.7° | 180.0° |
| H116 | C85 | C87 | H118 | 0.3° | 0.1° |
| C86 | C88 | C89 | C87 | 0.4° | 0.3° |
| C86 | C88 | C89 | H119 | 180.0° | 180.0° |
| C86 | C88 | C89 | H120 | 179.6° | 180.0° |
| H117 | C86 | C88 | C89 | 179.8° | 180.0° |
| H117 | C86 | C88 | H119 | 0.2° | 0.1° |
| C87 | C89 | C88 | H120 | 180.0° | 179.7° |
| C87 | C89 | C88 | H119 | 179.6° | 179.7° |
| H118 | C87 | C89 | C88 | 179.8° | 179.8° |
| H118 | C87 | C89 | H120 | 0.2° | 0.1° |
| H119 | C88 | C89 | H120 | 0.4° | 0.0° |
| C90 | N25 | H121 | C82 | 180.0° | 179.3° |
| N25 | C90 | C91 | C92 | 118.3° | 120.2° |
| N25 | C90 | C91 | H122 | 118.5° | 117.2° |
| N25 | C90 | C92 | H122 | 123.5° | 120.7° |
| N25 | C90 | C91 | O26 | 82.4° | 133.3° |
| N25 | C90 | C92 | S4 | 147.7° | 82.0° |
| N25 | C90 | C92 | H123 | 91.4° | 157.3° |
| N25 | C90 | C92 | H124 | 26.8° | 38.4° |
| N25 | C90 | C91 | N26 | 86.6° | 47.2° |
| H121 | N25 | C90 | C91 | 41.7° | 87.7° |
| H121 | N25 | C90 | C92 | 77.8° | 33.8° |
| H121 | N25 | C90 | H122 | 159.4° | 155.3° |
| C91 | C90 | C92 | H122 | 123.4° | 121.7° |
| C90 | C91 | O26 | N26 | 169.0° | 179.4° |
| C91 | C90 | C92 | S4 | 34.6° | 35.6° |
| C91 | C90 | C92 | H123 | 155.5° | 85.1° |
| C91 | C90 | C92 | H124 | 86.3° | 156.0° |
| C90 | C91 | N26 | C94 | 175.4° | 172.8° |
| C90 | C91 | N26 | H125 | 4.6° | 7.7° |
| C91 | C90 | N25 | C82 | 138.3° | 93.0° |
| C92 | C90 | C91 | O26 | 35.8° | 13.1° |
| C90 | C92 | S4 | H123 | 120.9° | 120.5° |
| C90 | C92 | S4 | H124 | 120.9° | 120.5° |
| C90 | C92 | H123 | H124 | 117.1° | 119.3° |
| C90 | C92 | S4 | C69 | 114.6° | 73.9° |
| C92 | C90 | N25 | C82 | 102.2° | 145.6° |
| C92 | C90 | C91 | N26 | 155.1° | 167.5° |
| H122 | C90 | C91 | O26 | 159.1° | 109.5° |
| H122 | C90 | C92 | S4 | 88.8° | 157.3° |
| H122 | C90 | C92 | H123 | 32.1° | 36.6° |
| H122 | C90 | C92 | H124 | 150.3° | 82.3° |
| H122 | C90 | N25 | C82 | 20.6° | 24.1° |
| H122 | C90 | C91 | N26 | 31.9° | 70.0° |
| O26 | C91 | N26 | C94 | 6.1° | 7.8° |
| O26 | C91 | N26 | H125 | 173.9° | 171.7° |
| S4 | C92 | H123 | H124 | 117.1° | 119.1° |
| H123 | C92 | S4 | C69 | 124.5° | 165.6° |
| H124 | C92 | S4 | C69 | 6.3° | 46.6° |
| C94 | N26 | H125 | C91 | 180.0° | 179.6° |
| N26 | C94 | C93 | H127 | 180.0° | 179.8° |
| N26 | C94 | C93 | S5 | 0.8° | 0.7° |
| N26 | C94 | C93 | H126 | 179.2° | 179.3° |
| H125 | N26 | C94 | C93 | 33.5° | 3.5° |
| H125 | N26 | C94 | H127 | 146.5° | 176.6° |
| C94 | C93 | S5 | H126 | 180.0° | 180.0° |
| C94 | C93 | S5 | C79 | 107.6° | 143.1° |
| C93 | C94 | N26 | C91 | 146.5° | 176.0° |
| S5 | C93 | C94 | H127 | 179.2° | 179.1° |
| H126 | C93 | C94 | H127 | 0.8° | 0.9° |
| H126 | C93 | S5 | C79 | 72.4° | 36.9° |
| H127 | C94 | N26 | C91 | 33.5° | 3.8° |
