PRD_001104
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | O1 | doub | 1.21Å | 1.23Å | |
| C1 | C2 | sing | 1.51Å | 1.51Å | |
| C2 | H1 | sing | 1.09Å | 1.10Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| N1 | C3 | sing | 1.47Å | 1.46Å | |
| N1 | H3 | sing | 0.97Å | 1.00Å | |
| C3 | C4 | sing | 1.51Å | 1.53Å | |
| C3 | C5 | sing | 1.53Å | 1.55Å | |
| C3 | H4 | sing | 1.09Å | 1.10Å | |
| C4 | O2 | doub | 1.21Å | 1.23Å | |
| C5 | C6 | sing | 1.51Å | 1.51Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C5 | H6 | sing | 1.09Å | 1.10Å | |
| C6 | C7 | doub | 1.38Å | 1.39Å | Aromatic |
| C6 | C8 | sing | 1.38Å | 1.39Å | Aromatic |
| C7 | C9 | sing | 1.38Å | 1.39Å | Aromatic |
| C7 | H7 | sing | 1.08Å | 1.08Å | |
| C8 | C10 | doub | 1.38Å | 1.38Å | Aromatic |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| C9 | C11 | doub | 1.39Å | 1.38Å | Aromatic |
| C9 | H9 | sing | 1.08Å | 1.08Å | |
| C10 | C11 | sing | 1.39Å | 1.38Å | Aromatic |
| C10 | H10 | sing | 1.08Å | 1.08Å | |
| C11 | O3 | sing | 1.36Å | 1.38Å | |
| O3 | H11 | sing | 0.97Å | 0.95Å | |
| N2 | C12 | sing | 1.48Å | 1.46Å | |
| N2 | H12 | sing | 0.97Å | 1.00Å | |
| C12 | C13 | sing | 1.51Å | 1.53Å | |
| C12 | C14 | sing | 1.53Å | 1.53Å | |
| C12 | H13 | sing | 1.09Å | 1.10Å | |
| C13 | O4 | doub | 1.21Å | 1.23Å | |
| C14 | C15 | sing | 1.51Å | 1.50Å | |
| C14 | H14 | sing | 1.09Å | 1.10Å | |
| C14 | H15 | sing | 1.09Å | 1.10Å | |
| C15 | N3 | sing | 1.34Å | 1.38Å | Aromatic |
| C15 | C16 | doub | 1.35Å | 1.35Å | Aromatic |
| N3 | C17 | doub | 1.31Å | 1.32Å | Aromatic |
| N3 | H16 | sing | 0.97Å | 1.00Å | |
| C16 | N4 | sing | 1.37Å | 1.37Å | Aromatic |
| C16 | H17 | sing | 1.08Å | 1.08Å | |
| C17 | N4 | sing | 1.35Å | 1.32Å | Aromatic |
| C17 | H18 | sing | 1.08Å | 1.08Å | |
| N4 | H19 | sing | 0.97Å | 1.00Å | |
| N5 | C18 | sing | 1.48Å | 1.46Å | |
| N5 | H20 | sing | 0.97Å | 1.00Å | |
| C18 | C19 | sing | 1.51Å | 1.53Å | |
| C18 | C20 | sing | 1.53Å | 1.54Å | |
| C18 | H21 | sing | 1.09Å | 1.10Å | |
| C19 | O5 | doub | 1.21Å | 1.23Å | |
| C20 | O6 | sing | 1.43Å | 1.43Å | |
| C20 | C21 | sing | 1.53Å | 1.53Å | |
| C20 | H22 | sing | 1.09Å | 1.10Å | |
| O6 | H23 | sing | 0.97Å | 0.95Å | |
| C21 | H24 | sing | 1.09Å | 1.10Å | |
| C21 | H25 | sing | 1.09Å | 1.10Å | |
| C21 | H26 | sing | 1.09Å | 1.10Å | |
| N6 | C22 | sing | 1.48Å | 1.46Å | |
| N6 | H27 | sing | 0.97Å | 1.00Å | |
| C22 | C23 | sing | 1.51Å | 1.53Å | |
| C22 | C24 | sing | 1.53Å | 1.53Å | |
| C22 | H28 | sing | 1.09Å | 1.10Å | |
| C23 | O7 | doub | 1.21Å | 1.23Å | |
| C24 | C25 | sing | 1.51Å | 1.51Å | |
| C24 | H29 | sing | 1.09Å | 1.10Å | |
| C24 | H30 | sing | 1.09Å | 1.10Å | |
| C25 | C26 | doub | 1.38Å | 1.39Å | Aromatic |
| C25 | C27 | sing | 1.38Å | 1.39Å | Aromatic |
| C26 | C28 | sing | 1.38Å | 1.38Å | Aromatic |
| C26 | H31 | sing | 1.08Å | 1.08Å | |
| C27 | C29 | doub | 1.38Å | 1.38Å | Aromatic |
| C27 | H32 | sing | 1.08Å | 1.08Å | |
| C28 | C30 | doub | 1.39Å | 1.38Å | Aromatic |
| C28 | H33 | sing | 1.08Å | 1.08Å | |
| C29 | C30 | sing | 1.39Å | 1.38Å | Aromatic |
| C29 | H34 | sing | 1.08Å | 1.08Å | |
| C30 | O8 | sing | 1.36Å | 1.38Å | |
| O8 | H35 | sing | 0.97Å | 0.95Å | |
| N7 | C31 | sing | 1.48Å | 1.46Å | |
| N7 | H36 | sing | 0.97Å | 1.00Å | |
| C31 | C32 | sing | 1.51Å | 1.53Å | |
| C31 | C33 | sing | 1.53Å | 1.53Å | |
| C31 | H37 | sing | 1.09Å | 1.10Å | |
| C32 | O9 | doub | 1.21Å | 1.23Å | |
| C33 | C34 | sing | 1.51Å | 1.50Å | |
| C33 | H38 | sing | 1.09Å | 1.10Å | |
| C33 | H39 | sing | 1.09Å | 1.10Å | |
| C34 | N8 | sing | 1.34Å | 1.38Å | Aromatic |
| C34 | C35 | doub | 1.35Å | 1.35Å | Aromatic |
| N8 | C36 | doub | 1.30Å | 1.32Å | Aromatic |
| N8 | H40 | sing | 0.97Å | 1.00Å | |
| C35 | N9 | sing | 1.37Å | 1.37Å | Aromatic |
| C35 | H41 | sing | 1.08Å | 1.08Å | |
| C36 | N9 | sing | 1.35Å | 1.32Å | Aromatic |
| C36 | H42 | sing | 1.08Å | 1.08Å | |
| N9 | H43 | sing | 0.97Å | 1.00Å | |
| N10 | C37 | sing | 1.48Å | 1.46Å | |
| N10 | H44 | sing | 0.97Å | 1.00Å | |
| C37 | C38 | sing | 1.51Å | 1.53Å | |
| C37 | C39 | sing | 1.53Å | 1.54Å | |
| C37 | H45 | sing | 1.09Å | 1.10Å | |
| C38 | O10 | doub | 1.21Å | 1.23Å | |
| C39 | C40 | sing | 1.53Å | 1.52Å | |
| C39 | C41 | sing | 1.53Å | 1.52Å | |
| C39 | H46 | sing | 1.09Å | 1.10Å | |
| C40 | H47 | sing | 1.09Å | 1.10Å | |
| C40 | H48 | sing | 1.09Å | 1.10Å | |
| C40 | H49 | sing | 1.09Å | 1.10Å | |
| C41 | H50 | sing | 1.09Å | 1.10Å | |
| C41 | H51 | sing | 1.09Å | 1.10Å | |
| C41 | H52 | sing | 1.09Å | 1.10Å | |
| F1 | C49 | sing | 1.40Å | 1.33Å | |
| F3 | C49 | sing | 1.40Å | 1.33Å | |
| C49 | C48 | sing | 1.51Å | 1.49Å | |
| C49 | F2 | sing | 1.40Å | 1.33Å | |
| C48 | O12 | doub | 1.21Å | 1.22Å | |
| C48 | N12 | sing | 1.35Å | 1.43Å | |
| N12 | C47 | sing | 1.47Å | 1.43Å | |
| C47 | C46 | sing | 1.53Å | 1.49Å | |
| C46 | C45 | sing | 1.53Å | 1.49Å | |
| C45 | C44 | sing | 1.53Å | 1.49Å | |
| C44 | C42 | sing | 1.53Å | 1.49Å | |
| C42 | N11 | sing | 1.48Å | 1.44Å | |
| C42 | C43 | sing | 1.51Å | 1.49Å | |
| C43 | O11 | doub | 1.21Å | 1.22Å | |
| N11 | H53 | sing | 0.97Å | 1.00Å | |
| C42 | H54 | sing | 1.09Å | 1.10Å | |
| C44 | H55 | sing | 1.09Å | 1.10Å | |
| C45 | H56 | sing | 1.09Å | 1.10Å | |
| C46 | H57 | sing | 1.09Å | 1.10Å | |
| C47 | H58 | sing | 1.09Å | 1.10Å | |
| N12 | H59 | sing | 0.97Å | 1.00Å | |
| C44 | H60 | sing | 1.09Å | 1.10Å | |
| C45 | H61 | sing | 1.09Å | 1.10Å | |
| C46 | H62 | sing | 1.09Å | 1.10Å | |
| C47 | H63 | sing | 1.09Å | 1.10Å | |
| N13 | C50 | sing | 1.48Å | 1.46Å | |
| N13 | H64 | sing | 0.97Å | 1.00Å | |
| C50 | C51 | sing | 1.51Å | 1.52Å | |
| C50 | C52 | sing | 1.53Å | 1.53Å | |
| C50 | H65 | sing | 1.09Å | 1.10Å | |
| C51 | O13 | doub | 1.21Å | 1.23Å | |
| C52 | C53 | sing | 1.53Å | 1.52Å | |
| C52 | H66 | sing | 1.09Å | 1.10Å | |
| C52 | H67 | sing | 1.09Å | 1.10Å | |
| C53 | C54 | sing | 1.53Å | 1.53Å | |
| C53 | H68 | sing | 1.09Å | 1.10Å | |
| C53 | H69 | sing | 1.09Å | 1.10Å | |
| C54 | N14 | sing | 1.46Å | 1.46Å | |
| C54 | H70 | sing | 1.09Å | 1.10Å | |
| C54 | H71 | sing | 1.09Å | 1.10Å | |
| N14 | C55 | sing | 1.37Å | 1.33Å | |
| N14 | H72 | sing | 0.97Å | 1.00Å | |
| C55 | N15 | sing | 1.33Å | 1.33Å | |
| C55 | N16 | doub | 1.33Å | 1.33Å | |
| N15 | H73 | sing | 0.97Å | 1.00Å | |
| N15 | H74 | sing | 0.97Å | 1.00Å | |
| N16 | H75 | sing | 0.97Å | 1.00Å | |
| N16 | H76 | sing | 0.97Å | 1.00Å | |
| N17 | C56 | sing | 1.48Å | 1.46Å | |
| N17 | H77 | sing | 0.97Å | 1.00Å | |
| C56 | C57 | sing | 1.51Å | 1.52Å | |
| C56 | C58 | sing | 1.53Å | 1.53Å | |
| C56 | H78 | sing | 1.09Å | 1.10Å | |
| C57 | O14 | doub | 1.21Å | 1.23Å | |
| C58 | C59 | sing | 1.53Å | 1.53Å | |
| C58 | H79 | sing | 1.09Å | 1.10Å | |
| C58 | H80 | sing | 1.09Å | 1.10Å | |
| C59 | C60 | sing | 1.53Å | 1.52Å | |
| C59 | H81 | sing | 1.09Å | 1.10Å | |
| C59 | H82 | sing | 1.09Å | 1.10Å | |
| C60 | N18 | sing | 1.47Å | 1.46Å | |
| C60 | H83 | sing | 1.09Å | 1.10Å | |
| C60 | H84 | sing | 1.09Å | 1.10Å | |
| N18 | C61 | sing | 1.37Å | 1.33Å | |
| N18 | H85 | sing | 0.97Å | 1.00Å | |
| C61 | N19 | sing | 1.33Å | 1.33Å | |
| C61 | N20 | doub | 1.33Å | 1.33Å | |
| N19 | H86 | sing | 0.97Å | 1.00Å | |
| N19 | H87 | sing | 0.97Å | 1.00Å | |
| N20 | H88 | sing | 0.97Å | 1.00Å | |
| N20 | H89 | sing | 0.97Å | 1.00Å | |
| N21 | C62 | sing | 1.48Å | 1.46Å | |
| N21 | H90 | sing | 0.97Å | 1.00Å | |
| C62 | C63 | sing | 1.51Å | 1.53Å | |
| C62 | C64 | sing | 1.53Å | 1.54Å | |
| C62 | H91 | sing | 1.09Å | 1.10Å | |
| C63 | O15 | doub | 1.21Å | 1.23Å | |
| C64 | O16 | sing | 1.43Å | 1.43Å | |
| C64 | C65 | sing | 1.53Å | 1.52Å | |
| C64 | H92 | sing | 1.09Å | 1.10Å | |
| O16 | H93 | sing | 0.97Å | 0.95Å | |
| C65 | H94 | sing | 1.09Å | 1.10Å | |
| C65 | H95 | sing | 1.09Å | 1.10Å | |
| C65 | H96 | sing | 1.09Å | 1.10Å | |
| N22 | C66 | sing | 1.48Å | 1.46Å | |
| N22 | H97 | sing | 0.97Å | 1.00Å | |
| C66 | C67 | sing | 1.51Å | 1.52Å | |
| C66 | C68 | sing | 1.53Å | 1.53Å | |
| C66 | H98 | sing | 1.09Å | 1.10Å | |
| C67 | O17 | doub | 1.21Å | 1.23Å | |
| C68 | C69 | sing | 1.51Å | 1.52Å | |
| C68 | H99 | sing | 1.09Å | 1.10Å | |
| C68 | H100 | sing | 1.09Å | 1.10Å | |
| C69 | O18 | doub | 1.21Å | 1.23Å | |
| C69 | N23 | sing | 1.35Å | 1.33Å | |
| N23 | H101 | sing | 0.97Å | 1.00Å | |
| N23 | H102 | sing | 0.97Å | 1.00Å | |
| N24 | C70 | sing | 1.48Å | 1.46Å | |
| N24 | H103 | sing | 0.97Å | 1.00Å | |
| C70 | C71 | sing | 1.51Å | 1.52Å | |
| C70 | C72 | sing | 1.53Å | 1.53Å | |
| C70 | H104 | sing | 1.09Å | 1.10Å | |
| C71 | O19 | doub | 1.21Å | 1.23Å | |
| C72 | C73 | sing | 1.51Å | 1.51Å | |
| C72 | H105 | sing | 1.09Å | 1.10Å | |
| C72 | H106 | sing | 1.09Å | 1.10Å | |
| C73 | C74 | doub | 1.38Å | 1.39Å | Aromatic |
| C73 | C75 | sing | 1.38Å | 1.39Å | Aromatic |
| C74 | C76 | sing | 1.38Å | 1.38Å | Aromatic |
| C74 | H107 | sing | 1.08Å | 1.08Å | |
| C75 | C77 | doub | 1.38Å | 1.38Å | Aromatic |
| C75 | H108 | sing | 1.08Å | 1.08Å | |
| C76 | C78 | doub | 1.39Å | 1.38Å | Aromatic |
| C76 | H109 | sing | 1.08Å | 1.08Å | |
| C77 | C78 | sing | 1.39Å | 1.38Å | Aromatic |
| C77 | H110 | sing | 1.08Å | 1.08Å | |
| C78 | O20 | sing | 1.36Å | 1.37Å | |
| O20 | H111 | sing | 0.97Å | 0.95Å | |
| N25 | C79 | sing | 1.48Å | 1.46Å | |
| N25 | H112 | sing | 0.97Å | 1.00Å | |
| C79 | C80 | sing | 1.51Å | 1.52Å | |
| C79 | C81 | sing | 1.53Å | 1.53Å | |
| C79 | H113 | sing | 1.09Å | 1.10Å | |
| C80 | O21 | doub | 1.21Å | 1.23Å | |
| C81 | C82 | sing | 1.51Å | 1.52Å | |
| C81 | H114 | sing | 1.09Å | 1.10Å | |
| C81 | H115 | sing | 1.09Å | 1.10Å | |
| C82 | C83 | doub | 1.38Å | 1.39Å | Aromatic |
| C82 | C84 | sing | 1.38Å | 1.39Å | Aromatic |
| C83 | C85 | sing | 1.38Å | 1.38Å | Aromatic |
| C83 | H116 | sing | 1.08Å | 1.08Å | |
| C84 | C86 | doub | 1.38Å | 1.38Å | Aromatic |
| C84 | H117 | sing | 1.08Å | 1.08Å | |
| C85 | C87 | doub | 1.39Å | 1.38Å | Aromatic |
| C85 | H118 | sing | 1.08Å | 1.08Å | |
| C86 | C87 | sing | 1.39Å | 1.38Å | Aromatic |
| C86 | H119 | sing | 1.08Å | 1.08Å | |
| C87 | O22 | sing | 1.36Å | 1.38Å | |
| O22 | H120 | sing | 0.97Å | 0.95Å | |
| N26 | C88 | sing | 1.48Å | 1.46Å | |
| N26 | H121 | sing | 0.97Å | 1.00Å | |
| C88 | C89 | sing | 1.51Å | 1.52Å | |
| C88 | C90 | sing | 1.53Å | 1.53Å | |
| C88 | H122 | sing | 1.09Å | 1.10Å | |
| C89 | O23 | doub | 1.21Å | 1.23Å | |
| C90 | S1 | sing | 1.81Å | 1.80Å | |
| C90 | H123 | sing | 1.09Å | 1.10Å | |
| C90 | H124 | sing | 1.09Å | 1.10Å | |
| N27 | H125 | sing | 0.97Å | 1.00Å | |
| N27 | H126 | sing | 0.97Å | 1.00Å | |
| C1 | N1 | sing | 1.35Å | 1.33Å | |
| C2 | S1 | sing | 1.81Å | 1.80Å | |
| C4 | N2 | sing | 1.36Å | 1.33Å | |
| C13 | N5 | sing | 1.36Å | 1.33Å | |
| C19 | N6 | sing | 1.36Å | 1.33Å | |
| C23 | N7 | sing | 1.36Å | 1.33Å | |
| C32 | N10 | sing | 1.36Å | 1.33Å | |
| C38 | N11 | sing | 1.36Å | 1.33Å | |
| C43 | N13 | sing | 1.36Å | 1.33Å | |
| C51 | N17 | sing | 1.36Å | 1.33Å | |
| C57 | N21 | sing | 1.36Å | 1.33Å | |
| C63 | N22 | sing | 1.36Å | 1.33Å | |
| C67 | N24 | sing | 1.36Å | 1.33Å | |
| C71 | N25 | sing | 1.36Å | 1.33Å | |
| C80 | N26 | sing | 1.36Å | 1.33Å | |
| C89 | N27 | sing | 1.35Å | 1.33Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C1 | C2 | 120.7° | 120.0° |
| O1 | C1 | N1 | 123.7° | 120.1° |
| C1 | C2 | H1 | 98.5° | 109.5° |
| C1 | C2 | H2 | 98.5° | 109.4° |
| C2 | C1 | N1 | 115.7° | 119.9° |
| C1 | C2 | S1 | 150.2° | 109.4° |
| H1 | C2 | H2 | 109.5° | 109.5° |
| H1 | C2 | S1 | 98.5° | 109.5° |
| H2 | C2 | S1 | 98.6° | 109.5° |
| C3 | N1 | H3 | 118.4° | 120.0° |
| N1 | C3 | C4 | 113.8° | 109.5° |
| N1 | C3 | C5 | 111.3° | 109.5° |
| N1 | C3 | H4 | 106.6° | 109.5° |
| C3 | N1 | C1 | 123.1° | 120.0° |
| H3 | N1 | C1 | 118.4° | 120.0° |
| C4 | C3 | C5 | 113.0° | 109.4° |
| C4 | C3 | H4 | 105.8° | 109.5° |
| C3 | C4 | O2 | 120.2° | 120.4° |
| C3 | C4 | N2 | 117.0° | 119.1° |
| C5 | C3 | H4 | 105.6° | 109.5° |
| C3 | C5 | C6 | 116.4° | 109.5° |
| C3 | C5 | H5 | 107.7° | 109.5° |
| C3 | C5 | H6 | 107.7° | 109.4° |
| O2 | C4 | N2 | 122.8° | 120.5° |
| C6 | C5 | H5 | 107.7° | 109.5° |
| C6 | C5 | H6 | 107.7° | 109.4° |
| C5 | C6 | C7 | 121.0° | 119.9° |
| C5 | C6 | C8 | 120.9° | 120.0° |
| H5 | C5 | H6 | 109.5° | 109.5° |
| C7 | C6 | C8 | 118.1° | 120.1° |
| C6 | C7 | C9 | 121.1° | 120.1° |
| C6 | C7 | H7 | 119.4° | 120.0° |
| C6 | C8 | C10 | 121.3° | 120.0° |
| C6 | C8 | H8 | 119.3° | 119.9° |
| C9 | C7 | H7 | 119.5° | 119.9° |
| C7 | C9 | C11 | 119.5° | 119.9° |
| C7 | C9 | H9 | 120.3° | 120.1° |
| C10 | C8 | H8 | 119.4° | 120.0° |
| C8 | C10 | C11 | 119.7° | 120.0° |
| C8 | C10 | H10 | 120.1° | 120.0° |
| C11 | C9 | H9 | 120.2° | 120.0° |
| C9 | C11 | C10 | 120.3° | 119.9° |
| C9 | C11 | O3 | 119.9° | 120.0° |
| C11 | C10 | H10 | 120.2° | 120.1° |
| C10 | C11 | O3 | 119.8° | 120.1° |
| C11 | O3 | H11 | 109.5° | 113.9° |
| C12 | N2 | H12 | 119.1° | 121.6° |
| N2 | C12 | C13 | 111.9° | 108.9° |
| N2 | C12 | C14 | 110.5° | 109.6° |
| N2 | C12 | H13 | 108.9° | 109.6° |
| C12 | N2 | C4 | 121.9° | 116.7° |
| H12 | N2 | C4 | 119.0° | 121.6° |
| C13 | C12 | C14 | 109.3° | 109.6° |
| C13 | C12 | H13 | 108.1° | 109.5° |
| C12 | C13 | O4 | 120.7° | 120.5° |
| C12 | C13 | N5 | 116.6° | 119.0° |
| C14 | C12 | H13 | 108.0° | 109.7° |
| C12 | C14 | C15 | 113.6° | 109.4° |
| C12 | C14 | H14 | 108.4° | 109.5° |
| C12 | C14 | H15 | 108.4° | 109.5° |
| O4 | C13 | N5 | 122.8° | 120.5° |
| C15 | C14 | H14 | 108.4° | 109.5° |
| C15 | C14 | H15 | 108.4° | 109.5° |
| C14 | C15 | N3 | 122.7° | 126.0° |
| C14 | C15 | C16 | 131.1° | 126.0° |
| H14 | C14 | H15 | 109.5° | 109.5° |
| N3 | C15 | C16 | 106.2° | 108.1° |
| C15 | N3 | C17 | 109.4° | 109.2° |
| C15 | N3 | H16 | 125.3° | 125.4° |
| C15 | C16 | N4 | 107.1° | 106.8° |
| C15 | C16 | H17 | 126.4° | 126.6° |
| C17 | N3 | H16 | 125.3° | 125.4° |
| N3 | C17 | N4 | 108.4° | 108.7° |
| N3 | C17 | H18 | 125.8° | 125.7° |
| N4 | C16 | H17 | 126.5° | 126.6° |
| C16 | N4 | C17 | 109.0° | 107.2° |
| C16 | N4 | H19 | 125.5° | 126.4° |
| N4 | C17 | H18 | 125.8° | 125.7° |
| C17 | N4 | H19 | 125.5° | 126.3° |
| C18 | N5 | H20 | 119.2° | 121.9° |
| N5 | C18 | C19 | 113.8° | 108.8° |
| N5 | C18 | C20 | 111.3° | 109.6° |
| N5 | C18 | H21 | 108.5° | 109.6° |
| C18 | N5 | C13 | 121.5° | 116.2° |
| H20 | N5 | C13 | 119.2° | 121.9° |
| C19 | C18 | C20 | 107.9° | 109.6° |
| C19 | C18 | H21 | 107.7° | 109.6° |
| C18 | C19 | O5 | 120.1° | 120.4° |
| C18 | C19 | N6 | 117.2° | 119.2° |
| C20 | C18 | H21 | 107.5° | 109.8° |
| C18 | C20 | O6 | 109.5° | 109.5° |
| C18 | C20 | C21 | 110.7° | 109.5° |
| C18 | C20 | H22 | 108.5° | 109.5° |
| O5 | C19 | N6 | 122.7° | 120.4° |
| O6 | C20 | C21 | 109.5° | 109.5° |
| O6 | C20 | H22 | 110.0° | 109.5° |
| C20 | O6 | H23 | 109.5° | 114.0° |
| C21 | C20 | H22 | 108.7° | 109.4° |
| C20 | C21 | H24 | 109.5° | 109.5° |
| C20 | C21 | H25 | 109.5° | 109.5° |
| C20 | C21 | H26 | 109.5° | 109.5° |
| H24 | C21 | H25 | 109.4° | 109.5° |
| H24 | C21 | H26 | 109.5° | 109.4° |
| H25 | C21 | H26 | 109.5° | 109.5° |
| C22 | N6 | H27 | 119.5° | 121.6° |
| N6 | C22 | C23 | 112.2° | 108.9° |
| N6 | C22 | C24 | 111.2° | 109.6° |
| N6 | C22 | H28 | 108.4° | 109.6° |
| C22 | N6 | C19 | 121.1° | 116.8° |
| H27 | N6 | C19 | 119.5° | 121.6° |
| C23 | C22 | C24 | 109.6° | 109.5° |
| C23 | C22 | H28 | 107.7° | 109.6° |
| C22 | C23 | O7 | 120.8° | 120.5° |
| C22 | C23 | N7 | 116.0° | 119.0° |
| C24 | C22 | H28 | 107.6° | 109.6° |
| C22 | C24 | C25 | 112.9° | 109.5° |
| C22 | C24 | H29 | 108.6° | 109.4° |
| C22 | C24 | H30 | 108.6° | 109.4° |
| O7 | C23 | N7 | 123.2° | 120.6° |
| C25 | C24 | H29 | 108.6° | 109.5° |
| C25 | C24 | H30 | 108.6° | 109.5° |
| C24 | C25 | C26 | 120.8° | 119.9° |
| C24 | C25 | C27 | 121.0° | 119.9° |
| H29 | C24 | H30 | 109.5° | 109.5° |
| C26 | C25 | C27 | 118.2° | 120.2° |
| C25 | C26 | C28 | 121.2° | 120.1° |
| C25 | C26 | H31 | 119.4° | 120.0° |
| C25 | C27 | C29 | 121.1° | 120.0° |
| C25 | C27 | H32 | 119.5° | 120.0° |
| C28 | C26 | H31 | 119.4° | 120.0° |
| C26 | C28 | C30 | 119.6° | 119.9° |
| C26 | C28 | H33 | 120.2° | 120.0° |
| C29 | C27 | H32 | 119.4° | 120.0° |
| C27 | C29 | C30 | 119.6° | 120.0° |
| C27 | C29 | H34 | 120.2° | 120.0° |
| C30 | C28 | H33 | 120.2° | 120.0° |
| C28 | C30 | C29 | 120.4° | 119.9° |
| C28 | C30 | O8 | 119.7° | 120.0° |
| C30 | C29 | H34 | 120.2° | 120.0° |
| C29 | C30 | O8 | 120.0° | 120.1° |
| C30 | O8 | H35 | 109.5° | 114.0° |
| C31 | N7 | H36 | 118.9° | 121.9° |
| N7 | C31 | C32 | 112.4° | 108.8° |
| N7 | C31 | C33 | 109.9° | 109.6° |
| N7 | C31 | H37 | 108.8° | 109.6° |
| C31 | N7 | C23 | 122.4° | 116.1° |
| H36 | N7 | C23 | 118.8° | 121.9° |
| C32 | C31 | C33 | 109.9° | 109.6° |
| C32 | C31 | H37 | 107.9° | 109.6° |
| C31 | C32 | O9 | 120.7° | 120.4° |
| C31 | C32 | N10 | 116.4° | 119.2° |
| C33 | C31 | H37 | 107.8° | 109.7° |
| C31 | C33 | C34 | 113.8° | 109.5° |
| C31 | C33 | H38 | 108.4° | 109.4° |
| C31 | C33 | H39 | 108.4° | 109.5° |
| O9 | C32 | N10 | 123.0° | 120.4° |
| C34 | C33 | H38 | 108.4° | 109.5° |
| C34 | C33 | H39 | 108.4° | 109.4° |
| C33 | C34 | N8 | 122.7° | 126.0° |
| C33 | C34 | C35 | 131.3° | 126.0° |
| H38 | C33 | H39 | 109.5° | 109.6° |
| N8 | C34 | C35 | 106.0° | 108.0° |
| C34 | N8 | C36 | 109.5° | 109.2° |
| C34 | N8 | H40 | 125.2° | 125.3° |
| C34 | C35 | N9 | 107.2° | 106.8° |
| C34 | C35 | H41 | 126.4° | 126.6° |
| C36 | N8 | H40 | 125.3° | 125.4° |
| N8 | C36 | N9 | 108.3° | 108.7° |
| N8 | C36 | H42 | 125.9° | 125.6° |
| N9 | C35 | H41 | 126.4° | 126.5° |
| C35 | N9 | C36 | 109.0° | 107.2° |
| C35 | N9 | H43 | 125.5° | 126.4° |
| N9 | C36 | H42 | 125.8° | 125.7° |
| C36 | N9 | H43 | 125.5° | 126.4° |
| C37 | N10 | H44 | 119.0° | 121.6° |
| N10 | C37 | C38 | 111.2° | 108.8° |
| N10 | C37 | C39 | 110.7° | 109.6° |
| N10 | C37 | H45 | 108.9° | 109.6° |
| C37 | N10 | C32 | 122.0° | 116.8° |
| H44 | N10 | C32 | 119.0° | 121.6° |
| C38 | C37 | C39 | 109.9° | 109.6° |
| C38 | C37 | H45 | 108.0° | 109.5° |
| C37 | C38 | O10 | 120.5° | 120.5° |
| C37 | C38 | N11 | 116.4° | 119.0° |
| C39 | C37 | H45 | 107.9° | 109.7° |
| C37 | C39 | C40 | 111.0° | 109.5° |
| C37 | C39 | C41 | 110.2° | 109.5° |
| C37 | C39 | H46 | 108.1° | 109.5° |
| O10 | C38 | N11 | 123.1° | 120.6° |
| C40 | C39 | C41 | 110.6° | 109.5° |
| C40 | C39 | H46 | 108.4° | 109.5° |
| C39 | C40 | H47 | 109.5° | 109.5° |
| C39 | C40 | H48 | 109.5° | 109.5° |
| C39 | C40 | H49 | 109.5° | 109.5° |
| C41 | C39 | H46 | 108.4° | 109.5° |
| C39 | C41 | H50 | 109.5° | 109.4° |
| C39 | C41 | H51 | 109.5° | 109.4° |
| C39 | C41 | H52 | 109.4° | 109.5° |
| H47 | C40 | H48 | 109.5° | 109.4° |
| H47 | C40 | H49 | 109.4° | 109.5° |
| H48 | C40 | H49 | 109.5° | 109.5° |
| H50 | C41 | H51 | 109.5° | 109.4° |
| H50 | C41 | H52 | 109.5° | 109.5° |
| H51 | C41 | H52 | 109.5° | 109.5° |
| F1 | C49 | F3 | 109.3° | 109.5° |
| F1 | C49 | C48 | 108.9° | 109.5° |
| F1 | C49 | F2 | 109.4° | 109.5° |
| F3 | C49 | C48 | 110.2° | 109.4° |
| F3 | C49 | F2 | 108.8° | 109.5° |
| C48 | C49 | F2 | 110.2° | 109.5° |
| C49 | C48 | O12 | 119.7° | 120.0° |
| C49 | C48 | N12 | 120.6° | 120.0° |
| O12 | C48 | N12 | 119.6° | 120.0° |
| C48 | N12 | C47 | 119.8° | 120.0° |
| C48 | N12 | H59 | 120.1° | 120.0° |
| N12 | C47 | C46 | 117.3° | 109.5° |
| N12 | C47 | H58 | 107.5° | 109.4° |
| C47 | N12 | H59 | 120.1° | 120.0° |
| N12 | C47 | H63 | 107.5° | 109.5° |
| C47 | C46 | C45 | 118.3° | 109.4° |
| C47 | C46 | H57 | 107.2° | 109.5° |
| C46 | C47 | H58 | 107.5° | 109.5° |
| C47 | C46 | H62 | 107.2° | 109.5° |
| C46 | C47 | H63 | 107.5° | 109.5° |
| C46 | C45 | C44 | 117.4° | 109.4° |
| C46 | C45 | H56 | 107.5° | 109.5° |
| C45 | C46 | H57 | 107.2° | 109.5° |
| C46 | C45 | H61 | 107.5° | 109.5° |
| C45 | C46 | H62 | 107.2° | 109.5° |
| C45 | C44 | C42 | 118.2° | 109.5° |
| C45 | C44 | H55 | 107.2° | 109.5° |
| C44 | C45 | H56 | 107.4° | 109.5° |
| C45 | C44 | H60 | 107.3° | 109.4° |
| C44 | C45 | H61 | 107.4° | 109.4° |
| C44 | C42 | N11 | 109.7° | 109.6° |
| C44 | C42 | C43 | 109.8° | 109.6° |
| C44 | C42 | H54 | 108.7° | 109.7° |
| C42 | C44 | H55 | 107.2° | 109.5° |
| C42 | C44 | H60 | 107.2° | 109.4° |
| N11 | C42 | C43 | 110.5° | 108.8° |
| C42 | N11 | H53 | 118.9° | 121.9° |
| N11 | C42 | H54 | 109.4° | 109.6° |
| C42 | N11 | C38 | 122.2° | 116.1° |
| C42 | C43 | O11 | 120.9° | 120.5° |
| C43 | C42 | H54 | 108.7° | 109.6° |
| C42 | C43 | N13 | 116.1° | 119.0° |
| O11 | C43 | N13 | 123.1° | 120.5° |
| H53 | N11 | C38 | 118.9° | 122.0° |
| H55 | C44 | H60 | 109.5° | 109.5° |
| H56 | C45 | H61 | 109.4° | 109.5° |
| H57 | C46 | H62 | 109.5° | 109.5° |
| H58 | C47 | H63 | 109.5° | 109.5° |
| C50 | N13 | H64 | 118.9° | 121.6° |
| N13 | C50 | C51 | 111.0° | 108.8° |
| N13 | C50 | C52 | 110.1° | 109.6° |
| N13 | C50 | H65 | 109.6° | 109.5° |
| C50 | N13 | C43 | 122.2° | 116.9° |
| H64 | N13 | C43 | 118.9° | 121.6° |
| C51 | C50 | C52 | 108.7° | 109.6° |
| C51 | C50 | H65 | 108.7° | 109.6° |
| C50 | C51 | O13 | 120.9° | 120.5° |
| C50 | C51 | N17 | 116.1° | 119.0° |
| C52 | C50 | H65 | 108.6° | 109.7° |
| C50 | C52 | C53 | 115.1° | 109.5° |
| C50 | C52 | H66 | 108.1° | 109.5° |
| C50 | C52 | H67 | 108.0° | 109.4° |
| O13 | C51 | N17 | 123.0° | 120.5° |
| C53 | C52 | H66 | 108.1° | 109.5° |
| C53 | C52 | H67 | 108.1° | 109.5° |
| C52 | C53 | C54 | 111.3° | 109.5° |
| C52 | C53 | H68 | 109.0° | 109.5° |
| C52 | C53 | H69 | 109.0° | 109.5° |
| H66 | C52 | H67 | 109.5° | 109.5° |
| C54 | C53 | H68 | 109.0° | 109.4° |
| C54 | C53 | H69 | 109.0° | 109.4° |
| C53 | C54 | N14 | 112.2° | 109.5° |
| C53 | C54 | H70 | 108.8° | 109.4° |
| C53 | C54 | H71 | 108.8° | 109.4° |
| H68 | C53 | H69 | 109.4° | 109.5° |
| N14 | C54 | H70 | 108.8° | 109.5° |
| N14 | C54 | H71 | 108.8° | 109.5° |
| C54 | N14 | C55 | 124.5° | 120.0° |
| C54 | N14 | H72 | 117.7° | 120.0° |
| H70 | C54 | H71 | 109.5° | 109.4° |
| C55 | N14 | H72 | 117.8° | 119.9° |
| N14 | C55 | N15 | 120.2° | 119.9° |
| N14 | C55 | N16 | 120.0° | 120.0° |
| N15 | C55 | N16 | 119.8° | 120.0° |
| C55 | N15 | H73 | 120.0° | 120.0° |
| C55 | N15 | H74 | 120.0° | 119.9° |
| C55 | N16 | H75 | 120.0° | 120.0° |
| C55 | N16 | H76 | 120.0° | 120.0° |
| H73 | N15 | H74 | 120.0° | 120.1° |
| H75 | N16 | H76 | 120.0° | 120.0° |
| C56 | N17 | H77 | 119.2° | 121.9° |
| N17 | C56 | C57 | 108.4° | 108.8° |
| N17 | C56 | C58 | 111.4° | 109.5° |
| N17 | C56 | H78 | 109.4° | 109.6° |
| C56 | N17 | C51 | 121.6° | 116.1° |
| H77 | N17 | C51 | 119.2° | 122.0° |
| C57 | C56 | C58 | 110.7° | 109.6° |
| C57 | C56 | H78 | 108.5° | 109.6° |
| C56 | C57 | O14 | 120.3° | 120.4° |
| C56 | C57 | N21 | 117.1° | 119.1° |
| C58 | C56 | H78 | 108.4° | 109.7° |
| C56 | C58 | C59 | 114.7° | 109.5° |
| C56 | C58 | H79 | 108.1° | 109.5° |
| C56 | C58 | H80 | 108.1° | 109.4° |
| O14 | C57 | N21 | 122.6° | 120.5° |
| C59 | C58 | H79 | 108.2° | 109.5° |
| C59 | C58 | H80 | 108.2° | 109.4° |
| C58 | C59 | C60 | 112.1° | 109.5° |
| C58 | C59 | H81 | 108.8° | 109.5° |
| C58 | C59 | H82 | 108.8° | 109.5° |
| H79 | C58 | H80 | 109.5° | 109.5° |
| C60 | C59 | H81 | 108.8° | 109.5° |
| C60 | C59 | H82 | 108.8° | 109.5° |
| C59 | C60 | N18 | 112.2° | 109.5° |
| C59 | C60 | H83 | 108.8° | 109.5° |
| C59 | C60 | H84 | 108.8° | 109.5° |
| H81 | C59 | H82 | 109.5° | 109.5° |
| N18 | C60 | H83 | 108.8° | 109.5° |
| N18 | C60 | H84 | 108.8° | 109.5° |
| C60 | N18 | C61 | 124.2° | 120.0° |
| C60 | N18 | H85 | 117.9° | 120.0° |
| H83 | C60 | H84 | 109.5° | 109.4° |
| C61 | N18 | H85 | 117.9° | 120.0° |
| N18 | C61 | N19 | 120.2° | 120.0° |
| N18 | C61 | N20 | 120.1° | 120.0° |
| N19 | C61 | N20 | 119.7° | 120.1° |
| C61 | N19 | H86 | 120.0° | 120.1° |
| C61 | N19 | H87 | 120.0° | 119.9° |
| C61 | N20 | H88 | 120.0° | 120.0° |
| C61 | N20 | H89 | 120.0° | 120.0° |
| H86 | N19 | H87 | 120.0° | 120.0° |
| H88 | N20 | H89 | 120.0° | 120.0° |
| C62 | N21 | H90 | 119.4° | 121.6° |
| N21 | C62 | C63 | 113.9° | 108.9° |
| N21 | C62 | C64 | 111.5° | 109.6° |
| N21 | C62 | H91 | 107.9° | 109.5° |
| C62 | N21 | C57 | 121.1° | 116.8° |
| H90 | N21 | C57 | 119.5° | 121.6° |
| C63 | C62 | C64 | 109.2° | 109.5° |
| C63 | C62 | H91 | 107.0° | 109.6° |
| C62 | C63 | O15 | 120.7° | 120.6° |
| C62 | C63 | N22 | 116.4° | 118.8° |
| C64 | C62 | H91 | 106.9° | 109.7° |
| C62 | C64 | O16 | 109.4° | 109.4° |
| C62 | C64 | C65 | 110.2° | 109.5° |
| C62 | C64 | H92 | 108.8° | 109.4° |
| O15 | C63 | N22 | 122.9° | 120.6° |
| O16 | C64 | C65 | 109.2° | 109.5° |
| O16 | C64 | H92 | 110.2° | 109.5° |
| C64 | O16 | H93 | 109.5° | 114.0° |
| C65 | C64 | H92 | 109.0° | 109.5° |
| C64 | C65 | H94 | 109.5° | 109.5° |
| C64 | C65 | H95 | 109.5° | 109.4° |
| C64 | C65 | H96 | 109.5° | 109.4° |
| H94 | C65 | H95 | 109.5° | 109.5° |
| H94 | C65 | H96 | 109.5° | 109.5° |
| H95 | C65 | H96 | 109.4° | 109.5° |
| C66 | N22 | H97 | 119.4° | 121.9° |
| N22 | C66 | C67 | 110.4° | 108.6° |
| N22 | C66 | C68 | 110.4° | 109.6° |
| N22 | C66 | H98 | 109.3° | 109.6° |
| C66 | N22 | C63 | 121.3° | 116.2° |
| H97 | N22 | C63 | 119.3° | 121.9° |
| C67 | C66 | C68 | 109.9° | 109.6° |
| C67 | C66 | H98 | 108.4° | 109.6° |
| C66 | C67 | O17 | 120.6° | 120.3° |
| C66 | C67 | N24 | 116.7° | 119.5° |
| C68 | C66 | H98 | 108.3° | 109.7° |
| C66 | C68 | C69 | 112.6° | 109.5° |
| C66 | C68 | H99 | 108.7° | 109.5° |
| C66 | C68 | H100 | 108.7° | 109.5° |
| O17 | C67 | N24 | 122.7° | 120.3° |
| C69 | C68 | H99 | 108.7° | 109.5° |
| C69 | C68 | H100 | 108.7° | 109.4° |
| C68 | C69 | O18 | 120.9° | 120.0° |
| C68 | C69 | N23 | 116.4° | 120.0° |
| H99 | C68 | H100 | 109.4° | 109.5° |
| O18 | C69 | N23 | 122.7° | 119.9° |
| C69 | N23 | H101 | 120.0° | 119.9° |
| C69 | N23 | H102 | 120.0° | 120.1° |
| H101 | N23 | H102 | 120.0° | 120.0° |
| C70 | N24 | H103 | 119.5° | 121.7° |
| N24 | C70 | C71 | 110.8° | 109.0° |
| N24 | C70 | C72 | 111.0° | 109.6° |
| N24 | C70 | H104 | 108.5° | 109.5° |
| C70 | N24 | C67 | 121.0° | 116.7° |
| H103 | N24 | C67 | 119.5° | 121.6° |
| C71 | C70 | C72 | 111.1° | 109.5° |
| C71 | C70 | H104 | 107.6° | 109.5° |
| C70 | C71 | O19 | 121.1° | 120.6° |
| C70 | C71 | N25 | 115.4° | 118.8° |
| C72 | C70 | H104 | 107.6° | 109.6° |
| C70 | C72 | C73 | 113.0° | 109.5° |
| C70 | C72 | H105 | 108.6° | 109.4° |
| C70 | C72 | H106 | 108.6° | 109.5° |
| O19 | C71 | N25 | 123.5° | 120.6° |
| C73 | C72 | H105 | 108.6° | 109.5° |
| C73 | C72 | H106 | 108.6° | 109.5° |
| C72 | C73 | C74 | 120.7° | 120.0° |
| C72 | C73 | C75 | 121.0° | 119.9° |
| H105 | C72 | H106 | 109.5° | 109.5° |
| C74 | C73 | C75 | 118.3° | 120.1° |
| C73 | C74 | C76 | 121.1° | 120.1° |
| C73 | C74 | H107 | 119.4° | 119.9° |
| C73 | C75 | C77 | 121.1° | 120.1° |
| C73 | C75 | H108 | 119.5° | 120.0° |
| C76 | C74 | H107 | 119.5° | 120.0° |
| C74 | C76 | C78 | 119.6° | 120.0° |
| C74 | C76 | H109 | 120.2° | 120.0° |
| C77 | C75 | H108 | 119.5° | 120.0° |
| C75 | C77 | C78 | 119.6° | 120.0° |
| C75 | C77 | H110 | 120.2° | 120.1° |
| C78 | C76 | H109 | 120.2° | 120.0° |
| C76 | C78 | C77 | 120.4° | 119.9° |
| C76 | C78 | O20 | 119.7° | 120.0° |
| C78 | C77 | H110 | 120.2° | 120.0° |
| C77 | C78 | O20 | 119.9° | 120.1° |
| C78 | O20 | H111 | 109.5° | 114.0° |
| C79 | N25 | H112 | 118.5° | 122.0° |
| N25 | C79 | C80 | 110.2° | 108.8° |
| N25 | C79 | C81 | 111.4° | 109.6° |
| N25 | C79 | H113 | 108.9° | 109.5° |
| C79 | N25 | C71 | 122.9° | 116.1° |
| H112 | N25 | C71 | 118.5° | 121.9° |
| C80 | C79 | C81 | 110.1° | 109.6° |
| C80 | C79 | H113 | 108.1° | 109.6° |
| C79 | C80 | O21 | 120.8° | 120.4° |
| C79 | C80 | N26 | 116.4° | 119.2° |
| C81 | C79 | H113 | 108.0° | 109.7° |
| C79 | C81 | C82 | 115.0° | 109.5° |
| C79 | C81 | H114 | 108.1° | 109.4° |
| C79 | C81 | H115 | 108.1° | 109.5° |
| O21 | C80 | N26 | 122.8° | 120.4° |
| C82 | C81 | H114 | 108.1° | 109.4° |
| C82 | C81 | H115 | 108.1° | 109.5° |
| C81 | C82 | C83 | 121.1° | 120.0° |
| C81 | C82 | C84 | 120.8° | 119.9° |
| H114 | C81 | H115 | 109.5° | 109.5° |
| C83 | C82 | C84 | 118.1° | 120.1° |
| C82 | C83 | C85 | 121.1° | 120.1° |
| C82 | C83 | H116 | 119.5° | 120.0° |
| C82 | C84 | C86 | 121.2° | 120.1° |
| C82 | C84 | H117 | 119.4° | 120.0° |
| C85 | C83 | H116 | 119.4° | 120.0° |
| C83 | C85 | C87 | 119.5° | 119.9° |
| C83 | C85 | H118 | 120.2° | 120.1° |
| C86 | C84 | H117 | 119.4° | 119.9° |
| C84 | C86 | C87 | 119.7° | 119.9° |
| C84 | C86 | H119 | 120.1° | 120.1° |
| C87 | C85 | H118 | 120.2° | 120.0° |
| C85 | C87 | C86 | 120.3° | 119.9° |
| C85 | C87 | O22 | 120.2° | 120.0° |
| C87 | C86 | H119 | 120.2° | 120.0° |
| C86 | C87 | O22 | 119.5° | 120.1° |
| C87 | O22 | H120 | 109.5° | 114.0° |
| C88 | N26 | H121 | 119.3° | 121.6° |
| N26 | C88 | C89 | 111.7° | 109.5° |
| N26 | C88 | C90 | 110.4° | 109.0° |
| N26 | C88 | H122 | 108.9° | 109.6° |
| C88 | N26 | C80 | 121.4° | 116.8° |
| H121 | N26 | C80 | 119.3° | 121.6° |
| C89 | C88 | C90 | 109.6° | 109.5° |
| C89 | C88 | H122 | 108.1° | 109.6° |
| C88 | C89 | O23 | 120.7° | 120.1° |
| C88 | C89 | N27 | 116.2° | 120.0° |
| C90 | C88 | H122 | 108.0° | 109.6° |
| C88 | C90 | S1 | 113.3° | 109.3° |
| C88 | C90 | H123 | 108.5° | 109.5° |
| C88 | C90 | H124 | 108.5° | 109.5° |
| O23 | C89 | N27 | 123.1° | 120.0° |
| S1 | C90 | H123 | 108.5° | 109.8° |
| S1 | C90 | H124 | 108.5° | 109.3° |
| C90 | S1 | C2 | 74.7° | 103.2° |
| H123 | C90 | H124 | 109.5° | 109.5° |
| H125 | N27 | H126 | 120.0° | 120.0° |
| H125 | N27 | C89 | 120.0° | 120.0° |
| H126 | N27 | C89 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C1 | C2 | N1 | 179.7° | 179.7° |
| O1 | C1 | C2 | H1 | 179.3° | 111.8° |
| O1 | C1 | C2 | H2 | 69.4° | 128.2° |
| O1 | C1 | N1 | C3 | 2.3° | 0.0° |
| O1 | C1 | N1 | H3 | 177.7° | 180.0° |
| O1 | C1 | C2 | S1 | 54.9° | 8.2° |
| C1 | C2 | H1 | H2 | 102.2° | 120.0° |
| C1 | C2 | H1 | S1 | 155.5° | 120.0° |
| C1 | C2 | H2 | S1 | 155.5° | 119.9° |
| C2 | C1 | N1 | C3 | 177.4° | 179.7° |
| C2 | C1 | N1 | H3 | 2.6° | 0.4° |
| C1 | C2 | S1 | C90 | 87.1° | 146.5° |
| H1 | C2 | H2 | S1 | 102.3° | 120.0° |
| H1 | C2 | S1 | C90 | 37.2° | 26.5° |
| H1 | C2 | C1 | N1 | 1.0° | 67.9° |
| H2 | C2 | S1 | C90 | 148.5° | 93.6° |
| H2 | C2 | C1 | N1 | 110.3° | 52.1° |
| C3 | N1 | H3 | C1 | 180.0° | 179.9° |
| N1 | C3 | C4 | C5 | 128.2° | 120.0° |
| N1 | C3 | C4 | H4 | 116.7° | 120.0° |
| N1 | C3 | C5 | H4 | 115.3° | 120.0° |
| N1 | C3 | C4 | O2 | 130.2° | 27.5° |
| N1 | C3 | C5 | C6 | 118.5° | 65.1° |
| N1 | C3 | C5 | H5 | 120.6° | 55.0° |
| N1 | C3 | C5 | H6 | 2.6° | 175.0° |
| N1 | C3 | C4 | N2 | 48.8° | 152.5° |
| H3 | N1 | C3 | C4 | 120.0° | 21.3° |
| H3 | N1 | C3 | C5 | 111.0° | 98.7° |
| H3 | N1 | C3 | H4 | 3.7° | 141.3° |
| C4 | C3 | C5 | H4 | 115.2° | 120.0° |
| C3 | C4 | O2 | N2 | 178.9° | 180.0° |
| C4 | C3 | C5 | C6 | 11.0° | 175.0° |
| C4 | C3 | C5 | H5 | 110.0° | 65.0° |
| C4 | C3 | C5 | H6 | 132.0° | 55.1° |
| C3 | C4 | N2 | C12 | 179.5° | 179.9° |
| C3 | C4 | N2 | H12 | 0.5° | 0.1° |
| C4 | C3 | N1 | C1 | 60.0° | 158.8° |
| C5 | C3 | C4 | O2 | 101.7° | 92.5° |
| C3 | C5 | C6 | H5 | 121.0° | 120.0° |
| C3 | C5 | C6 | H6 | 121.0° | 119.9° |
| C3 | C5 | H5 | H6 | 116.8° | 120.0° |
| C3 | C5 | C6 | C7 | 83.0° | 90.0° |
| C3 | C5 | C6 | C8 | 98.4° | 90.2° |
| C5 | C3 | N1 | C1 | 69.0° | 81.3° |
| C5 | C3 | C4 | N2 | 79.3° | 87.6° |
| H4 | C3 | C4 | O2 | 13.4° | 147.5° |
| H4 | C3 | C5 | C6 | 126.2° | 54.9° |
| H4 | C3 | C5 | H5 | 5.2° | 175.0° |
| H4 | C3 | C5 | H6 | 112.7° | 65.0° |
| H4 | C3 | N1 | C1 | 176.3° | 38.7° |
| H4 | C3 | C4 | N2 | 165.6° | 32.5° |
| O2 | C4 | N2 | C12 | 1.5° | 0.1° |
| O2 | C4 | N2 | H12 | 178.5° | 179.9° |
| C6 | C5 | H5 | H6 | 116.9° | 120.0° |
| C5 | C6 | C7 | C8 | 178.6° | 179.7° |
| C5 | C6 | C7 | C9 | 179.7° | 180.0° |
| C5 | C6 | C7 | H7 | 0.3° | 0.0° |
| C5 | C6 | C8 | C10 | 179.5° | 180.0° |
| C5 | C6 | C8 | H8 | 0.5° | 0.0° |
| H5 | C5 | C6 | C7 | 38.0° | 30.0° |
| H5 | C5 | C6 | C8 | 140.6° | 149.7° |
| H6 | C5 | C6 | C7 | 156.0° | 150.1° |
| H6 | C5 | C6 | C8 | 22.6° | 29.7° |
| C6 | C7 | C9 | H7 | 180.0° | 180.0° |
| C7 | C6 | C8 | C10 | 0.9° | 0.3° |
| C7 | C6 | C8 | H8 | 179.1° | 179.7° |
| C6 | C7 | C9 | C11 | 0.7° | 0.1° |
| C6 | C7 | C9 | H9 | 179.3° | 180.0° |
| C8 | C6 | C7 | C9 | 1.1° | 0.3° |
| C8 | C6 | C7 | H7 | 178.9° | 179.7° |
| C6 | C8 | C10 | H8 | 180.0° | 180.0° |
| C6 | C8 | C10 | C11 | 0.4° | 0.0° |
| C6 | C8 | C10 | H10 | 179.5° | 179.9° |
| C7 | C9 | C11 | H9 | 180.0° | 179.9° |
| C7 | C9 | C11 | C10 | 0.2° | 0.2° |
| C7 | C9 | C11 | O3 | 179.8° | 180.0° |
| H7 | C7 | C9 | C11 | 179.3° | 180.0° |
| H7 | C7 | C9 | H9 | 0.7° | 0.1° |
| C8 | C10 | C11 | C9 | 0.1° | 0.2° |
| C8 | C10 | C11 | H10 | 180.0° | 179.9° |
| C8 | C10 | C11 | O3 | 180.0° | 179.9° |
| H8 | C8 | C10 | C11 | 179.5° | 180.0° |
| H8 | C8 | C10 | H10 | 0.5° | 0.1° |
| C9 | C11 | C10 | O3 | 180.0° | 179.8° |
| C9 | C11 | C10 | H10 | 179.9° | 179.7° |
| C9 | C11 | O3 | H11 | 180.0° | 90.1° |
| H9 | C9 | C11 | C10 | 179.8° | 179.7° |
| H9 | C9 | C11 | O3 | 0.2° | 0.1° |
| C10 | C11 | O3 | H11 | 0.0° | 89.7° |
| H10 | C10 | C11 | O3 | 0.0° | 0.1° |
| C12 | N2 | H12 | C4 | 180.0° | 180.0° |
| N2 | C12 | C13 | C14 | 122.8° | 119.8° |
| N2 | C12 | C13 | H13 | 119.9° | 119.9° |
| N2 | C12 | C14 | H13 | 119.1° | 120.4° |
| N2 | C12 | C13 | O4 | 175.8° | 16.1° |
| N2 | C12 | C14 | C15 | 68.9° | 55.5° |
| N2 | C12 | C14 | H14 | 170.4° | 175.5° |
| N2 | C12 | C14 | H15 | 51.7° | 64.5° |
| N2 | C12 | C13 | N5 | 4.2° | 163.9° |
| H12 | N2 | C12 | C13 | 77.7° | 24.8° |
| H12 | N2 | C12 | C14 | 44.3° | 144.7° |
| H12 | N2 | C12 | H13 | 162.8° | 95.0° |
| C13 | C12 | C14 | H13 | 117.3° | 120.2° |
| C12 | C13 | O4 | N5 | 180.0° | 180.0° |
| C13 | C12 | C14 | C15 | 54.6° | 63.9° |
| C13 | C12 | C14 | H14 | 66.0° | 56.1° |
| C13 | C12 | C14 | H15 | 175.2° | 176.1° |
| C12 | C13 | N5 | C18 | 173.2° | 179.9° |
| C12 | C13 | N5 | H20 | 6.8° | 0.1° |
| C13 | C12 | N2 | C4 | 102.3° | 155.2° |
| C14 | C12 | C13 | O4 | 53.0° | 136.0° |
| C12 | C14 | C15 | H14 | 120.6° | 120.0° |
| C12 | C14 | C15 | H15 | 120.6° | 120.0° |
| C12 | C14 | H14 | H15 | 118.1° | 120.0° |
| C12 | C14 | C15 | N3 | 71.9° | 93.7° |
| C12 | C14 | C15 | C16 | 107.6° | 86.6° |
| C14 | C12 | N2 | C4 | 135.7° | 35.4° |
| C14 | C12 | C13 | N5 | 127.0° | 44.1° |
| H13 | C12 | C13 | O4 | 64.3° | 103.7° |
| H13 | C12 | C14 | C15 | 172.0° | 175.9° |
| H13 | C12 | C14 | H14 | 51.4° | 64.2° |
| H13 | C12 | C14 | H15 | 67.4° | 55.8° |
| H13 | C12 | N2 | C4 | 17.2° | 85.0° |
| H13 | C12 | C13 | N5 | 115.7° | 76.2° |
| O4 | C13 | N5 | C18 | 6.7° | 0.1° |
| O4 | C13 | N5 | H20 | 173.3° | 179.8° |
| C15 | C14 | H14 | H15 | 118.1° | 120.0° |
| C14 | C15 | N3 | C16 | 179.7° | 179.7° |
| C14 | C15 | N3 | C17 | 179.7° | 180.0° |
| C14 | C15 | N3 | H16 | 0.3° | 0.0° |
| C14 | C15 | C16 | N4 | 179.7° | 179.9° |
| C14 | C15 | C16 | H17 | 0.3° | 0.0° |
| H14 | C14 | C15 | N3 | 167.5° | 26.2° |
| H14 | C14 | C15 | C16 | 12.9° | 153.4° |
| H15 | C14 | C15 | N3 | 48.6° | 146.3° |
| H15 | C14 | C15 | C16 | 131.8° | 33.4° |
| C15 | N3 | C17 | H16 | 180.0° | 180.0° |
| N3 | C15 | C16 | N4 | 0.1° | 0.2° |
| N3 | C15 | C16 | H17 | 179.9° | 179.7° |
| C15 | N3 | C17 | N4 | 0.1° | 0.1° |
| C15 | N3 | C17 | H18 | 180.0° | 180.0° |
| C16 | C15 | N3 | C17 | 0.0° | 0.2° |
| C16 | C15 | N3 | H16 | 180.0° | 179.8° |
| C15 | C16 | N4 | H17 | 180.0° | 179.9° |
| C15 | C16 | N4 | C17 | 0.1° | 0.1° |
| C15 | C16 | N4 | H19 | 179.9° | 180.0° |
| N3 | C17 | N4 | C16 | 0.1° | 0.0° |
| N3 | C17 | N4 | H18 | 180.0° | 179.8° |
| N3 | C17 | N4 | H19 | 179.9° | 179.8° |
| H16 | N3 | C17 | N4 | 179.9° | 179.9° |
| H16 | N3 | C17 | H18 | 0.0° | 0.0° |
| C16 | N4 | C17 | H19 | 180.0° | 179.8° |
| C16 | N4 | C17 | H18 | 179.9° | 179.8° |
| H17 | C16 | N4 | C17 | 179.9° | 179.8° |
| H17 | C16 | N4 | H19 | 0.1° | 0.1° |
| H18 | C17 | N4 | H19 | 0.1° | 0.0° |
| C18 | N5 | H20 | C13 | 180.0° | 180.0° |
| N5 | C18 | C19 | C20 | 124.0° | 119.8° |
| N5 | C18 | C19 | H21 | 120.3° | 119.7° |
| N5 | C18 | C20 | H21 | 118.7° | 120.4° |
| N5 | C18 | C19 | O5 | 141.1° | 10.2° |
| N5 | C18 | C20 | O6 | 63.4° | 65.0° |
| N5 | C18 | C20 | C21 | 57.5° | 55.0° |
| N5 | C18 | C20 | H22 | 176.6° | 175.0° |
| N5 | C18 | C19 | N6 | 39.2° | 169.7° |
| H20 | N5 | C18 | C19 | 71.1° | 26.3° |
| H20 | N5 | C18 | C20 | 51.0° | 93.5° |
| H20 | N5 | C18 | H21 | 169.1° | 146.0° |
| C19 | C18 | C20 | H21 | 115.8° | 120.4° |
| C18 | C19 | O5 | N6 | 179.6° | 179.9° |
| C19 | C18 | C20 | O6 | 62.1° | 54.3° |
| C19 | C18 | C20 | C21 | 177.1° | 174.3° |
| C19 | C18 | C20 | H22 | 57.9° | 65.8° |
| C18 | C19 | N6 | C22 | 179.0° | 179.9° |
| C18 | C19 | N6 | H27 | 1.0° | 0.0° |
| C19 | C18 | N5 | C13 | 108.9° | 153.8° |
| C20 | C18 | C19 | O5 | 17.2° | 109.6° |
| C18 | C20 | O6 | C21 | 121.6° | 120.0° |
| C18 | C20 | O6 | H22 | 119.1° | 120.0° |
| C18 | C20 | C21 | H22 | 119.0° | 120.0° |
| C18 | C20 | O6 | H23 | 57.2° | 180.0° |
| C18 | C20 | C21 | H24 | 180.0° | 180.0° |
| C18 | C20 | C21 | H25 | 60.0° | 60.0° |
| C18 | C20 | C21 | H26 | 60.0° | 60.0° |
| C20 | C18 | N5 | C13 | 129.0° | 86.4° |
| C20 | C18 | C19 | N6 | 163.2° | 70.5° |
| H21 | C18 | C19 | O5 | 98.5° | 129.9° |
| H21 | C18 | C20 | O6 | 177.9° | 174.6° |
| H21 | C18 | C20 | C21 | 61.2° | 65.3° |
| H21 | C18 | C20 | H22 | 57.9° | 54.6° |
| H21 | C18 | N5 | C13 | 10.9° | 34.0° |
| H21 | C18 | C19 | N6 | 81.1° | 50.0° |
| O5 | C19 | N6 | C22 | 0.6° | 0.0° |
| O5 | C19 | N6 | H27 | 179.3° | 180.0° |
| O6 | C20 | C21 | H22 | 120.1° | 119.9° |
| O6 | C20 | C21 | H24 | 59.1° | 59.9° |
| O6 | C20 | C21 | H25 | 179.1° | 180.0° |
| O6 | C20 | C21 | H26 | 60.8° | 60.0° |
| C21 | C20 | O6 | H23 | 178.8° | 59.9° |
| C20 | C21 | H24 | H25 | 120.0° | 120.0° |
| C20 | C21 | H24 | H26 | 120.0° | 120.0° |
| C20 | C21 | H25 | H26 | 120.0° | 120.0° |
| H22 | C20 | O6 | H23 | 61.9° | 60.0° |
| H22 | C20 | C21 | H24 | 61.0° | 60.0° |
| H22 | C20 | C21 | H25 | 59.0° | 60.0° |
| H22 | C20 | C21 | H26 | 179.0° | 180.0° |
| H24 | C21 | H25 | H26 | 120.0° | 120.0° |
| C22 | N6 | H27 | C19 | 180.0° | 179.9° |
| N6 | C22 | C23 | C24 | 124.0° | 119.8° |
| N6 | C22 | C23 | H28 | 119.2° | 119.9° |
| N6 | C22 | C24 | H28 | 118.6° | 120.3° |
| N6 | C22 | C23 | O7 | 142.7° | 15.8° |
| N6 | C22 | C24 | C25 | 168.7° | 179.0° |
| N6 | C22 | C24 | H29 | 70.8° | 61.0° |
| N6 | C22 | C24 | H30 | 48.2° | 58.9° |
| N6 | C22 | C23 | N7 | 37.1° | 164.2° |
| H27 | N6 | C22 | C23 | 120.3° | 28.0° |
| H27 | N6 | C22 | C24 | 2.8° | 147.8° |
| H27 | N6 | C22 | H28 | 120.9° | 91.9° |
| C23 | C22 | C24 | H28 | 116.8° | 120.3° |
| C22 | C23 | O7 | N7 | 179.7° | 180.0° |
| C23 | C22 | C24 | C25 | 44.2° | 59.6° |
| C23 | C22 | C24 | H29 | 164.7° | 179.6° |
| C23 | C22 | C24 | H30 | 76.4° | 60.5° |
| C22 | C23 | N7 | C31 | 177.1° | 179.9° |
| C22 | C23 | N7 | H36 | 2.9° | 0.1° |
| C23 | C22 | N6 | C19 | 59.8° | 152.0° |
| C24 | C22 | C23 | O7 | 93.3° | 135.7° |
| C22 | C24 | C25 | H29 | 120.5° | 120.0° |
| C22 | C24 | C25 | H30 | 120.5° | 120.0° |
| C22 | C24 | H29 | H30 | 118.4° | 119.9° |
| C22 | C24 | C25 | C26 | 73.3° | 60.3° |
| C22 | C24 | C25 | C27 | 106.0° | 120.0° |
| C24 | C22 | N6 | C19 | 177.2° | 32.2° |
| C24 | C22 | C23 | N7 | 86.9° | 44.4° |
| H28 | C22 | C23 | O7 | 23.5° | 104.0° |
| H28 | C22 | C24 | C25 | 72.6° | 60.7° |
| H28 | C22 | C24 | H29 | 47.9° | 59.3° |
| H28 | C22 | C24 | H30 | 166.8° | 179.3° |
| H28 | C22 | N6 | C19 | 59.0° | 88.2° |
| H28 | C22 | C23 | N7 | 156.3° | 75.9° |
| O7 | C23 | N7 | C31 | 3.2° | 0.2° |
| O7 | C23 | N7 | H36 | 176.8° | 179.8° |
| C25 | C24 | H29 | H30 | 118.4° | 120.0° |
| C24 | C25 | C26 | C27 | 179.3° | 179.7° |
| C24 | C25 | C26 | C28 | 179.8° | 180.0° |
| C24 | C25 | C26 | H31 | 0.2° | 0.1° |
| C24 | C25 | C27 | C29 | 179.7° | 180.0° |
| C24 | C25 | C27 | H32 | 0.3° | 0.0° |
| H29 | C24 | C25 | C26 | 47.2° | 59.7° |
| H29 | C24 | C25 | C27 | 133.5° | 120.0° |
| H30 | C24 | C25 | C26 | 166.2° | 179.7° |
| H30 | C24 | C25 | C27 | 14.5° | 0.0° |
| C25 | C26 | C28 | H31 | 180.0° | 179.9° |
| C26 | C25 | C27 | C29 | 0.4° | 0.2° |
| C26 | C25 | C27 | H32 | 179.6° | 179.7° |
| C25 | C26 | C28 | C30 | 0.3° | 0.0° |
| C25 | C26 | C28 | H33 | 179.7° | 180.0° |
| C27 | C25 | C26 | C28 | 0.4° | 0.3° |
| C27 | C25 | C26 | H31 | 179.6° | 179.8° |
| C25 | C27 | C29 | H32 | 180.0° | 179.9° |
| C25 | C27 | C29 | C30 | 0.2° | 0.1° |
| C25 | C27 | C29 | H34 | 179.8° | 180.0° |
| C26 | C28 | C30 | H33 | 180.0° | 180.0° |
| C26 | C28 | C30 | C29 | 0.1° | 0.3° |
| C26 | C28 | C30 | O8 | 179.8° | 180.0° |
| H31 | C26 | C28 | C30 | 179.7° | 179.9° |
| H31 | C26 | C28 | H33 | 0.3° | 0.0° |
| C27 | C29 | C30 | C28 | 0.1° | 0.4° |
| C27 | C29 | C30 | H34 | 180.0° | 179.9° |
| C27 | C29 | C30 | O8 | 179.9° | 179.9° |
| H32 | C27 | C29 | C30 | 179.8° | 180.0° |
| H32 | C27 | C29 | H34 | 0.2° | 0.0° |
| C28 | C30 | C29 | O8 | 180.0° | 179.7° |
| C28 | C30 | C29 | H34 | 179.9° | 179.7° |
| C28 | C30 | O8 | H35 | 180.0° | 90.0° |
| H33 | C28 | C30 | C29 | 179.9° | 179.7° |
| H33 | C28 | C30 | O8 | 0.2° | 0.0° |
| C29 | C30 | O8 | H35 | 0.1° | 89.7° |
| H34 | C29 | C30 | O8 | 0.1° | 0.0° |
| C31 | N7 | H36 | C23 | 180.0° | 180.0° |
| N7 | C31 | C32 | C33 | 122.8° | 119.8° |
| N7 | C31 | C32 | H37 | 119.9° | 119.8° |
| N7 | C31 | C33 | H37 | 118.4° | 120.4° |
| N7 | C31 | C32 | O9 | 172.1° | 19.3° |
| N7 | C31 | C33 | C34 | 58.6° | 65.0° |
| N7 | C31 | C33 | H38 | 179.2° | 55.0° |
| N7 | C31 | C33 | H39 | 62.1° | 175.0° |
| N7 | C31 | C32 | N10 | 8.0° | 160.6° |
| H36 | N7 | C31 | C32 | 106.6° | 25.5° |
| H36 | N7 | C31 | C33 | 16.2° | 94.2° |
| H36 | N7 | C31 | H37 | 134.0° | 145.3° |
| C32 | C31 | C33 | H37 | 117.4° | 120.4° |
| C31 | C32 | O9 | N10 | 179.9° | 180.0° |
| C32 | C31 | C33 | C34 | 65.7° | 175.7° |
| C32 | C31 | C33 | H38 | 55.0° | 64.3° |
| C32 | C31 | C33 | H39 | 173.7° | 55.8° |
| C31 | C32 | N10 | C37 | 177.5° | 179.7° |
| C31 | C32 | N10 | H44 | 2.5° | 0.2° |
| C32 | C31 | N7 | C23 | 73.4° | 154.5° |
| C33 | C31 | C32 | O9 | 65.1° | 100.4° |
| C31 | C33 | C34 | H38 | 120.6° | 120.0° |
| C31 | C33 | C34 | H39 | 120.6° | 120.0° |
| C31 | C33 | H38 | H39 | 118.0° | 120.0° |
| C31 | C33 | C34 | N8 | 114.1° | 94.9° |
| C31 | C33 | C34 | C35 | 65.7° | 85.3° |
| C33 | C31 | N7 | C23 | 163.8° | 85.8° |
| C33 | C31 | C32 | N10 | 114.8° | 79.6° |
| H37 | C31 | C32 | O9 | 52.2° | 139.2° |
| H37 | C31 | C33 | C34 | 177.0° | 55.4° |
| H37 | C31 | C33 | H38 | 62.4° | 175.4° |
| H37 | C31 | C33 | H39 | 56.3° | 64.6° |
| H37 | C31 | N7 | C23 | 46.0° | 34.7° |
| H37 | C31 | C32 | N10 | 127.9° | 40.8° |
| O9 | C32 | N10 | C37 | 2.4° | 0.2° |
| O9 | C32 | N10 | H44 | 177.5° | 179.8° |
| C34 | C33 | H38 | H39 | 118.1° | 120.0° |
| C33 | C34 | N8 | C35 | 179.8° | 179.8° |
| C33 | C34 | N8 | C36 | 179.8° | 180.0° |
| C33 | C34 | N8 | H40 | 0.2° | 0.1° |
| C33 | C34 | C35 | N9 | 179.8° | 180.0° |
| C33 | C34 | C35 | H41 | 0.3° | 0.1° |
| H38 | C33 | C34 | N8 | 6.6° | 25.0° |
| H38 | C33 | C34 | C35 | 173.7° | 154.8° |
| H39 | C33 | C34 | N8 | 125.3° | 145.1° |
| H39 | C33 | C34 | C35 | 54.9° | 34.7° |
| C34 | N8 | C36 | H40 | 180.0° | 179.9° |
| N8 | C34 | C35 | N9 | 0.0° | 0.2° |
| N8 | C34 | C35 | H41 | 180.0° | 179.7° |
| C34 | N8 | C36 | N9 | 0.0° | 0.1° |
| C34 | N8 | C36 | H42 | 180.0° | 179.9° |
| C35 | C34 | N8 | C36 | 0.0° | 0.2° |
| C35 | C34 | N8 | H40 | 180.0° | 179.7° |
| C34 | C35 | N9 | H41 | 180.0° | 179.9° |
| C34 | C35 | N9 | C36 | 0.0° | 0.1° |
| C34 | C35 | N9 | H43 | 180.0° | 179.9° |
| N8 | C36 | N9 | C35 | 0.0° | 0.0° |
| N8 | C36 | N9 | H42 | 180.0° | 179.8° |
| N8 | C36 | N9 | H43 | 180.0° | 179.8° |
| H40 | N8 | C36 | N9 | 180.0° | 179.8° |
| H40 | N8 | C36 | H42 | 0.0° | 0.0° |
| C35 | N9 | C36 | H43 | 180.0° | 179.7° |
| C35 | N9 | C36 | H42 | 180.0° | 179.8° |
| H41 | C35 | N9 | C36 | 180.0° | 179.8° |
| H41 | C35 | N9 | H43 | 0.0° | 0.1° |
| H42 | C36 | N9 | H43 | 0.0° | 0.1° |
| C37 | N10 | H44 | C32 | 180.0° | 180.0° |
| N10 | C37 | C38 | C39 | 123.0° | 119.8° |
| N10 | C37 | C38 | H45 | 119.5° | 119.8° |
| N10 | C37 | C39 | H45 | 119.1° | 120.3° |
| N10 | C37 | C38 | O10 | 40.4° | 4.9° |
| N10 | C37 | C39 | C40 | 178.5° | 53.0° |
| N10 | C37 | C39 | C41 | 55.6° | 173.0° |
| N10 | C37 | C39 | H46 | 62.7° | 67.0° |
| N10 | C37 | C38 | N11 | 139.3° | 175.1° |
| H44 | N10 | C37 | C38 | 87.3° | 27.0° |
| H44 | N10 | C37 | C39 | 35.2° | 146.8° |
| H44 | N10 | C37 | H45 | 153.7° | 92.8° |
| C38 | C37 | C39 | H45 | 117.6° | 120.3° |
| C37 | C38 | O10 | N11 | 179.7° | 180.0° |
| C38 | C37 | C39 | C40 | 58.2° | 66.4° |
| C38 | C37 | C39 | C41 | 178.9° | 53.6° |
| C38 | C37 | C39 | H46 | 60.6° | 173.6° |
| C37 | C38 | N11 | C42 | 178.6° | 178.7° |
| C37 | C38 | N11 | H53 | 1.4° | 1.2° |
| C38 | C37 | N10 | C32 | 92.7° | 153.0° |
| C39 | C37 | C38 | O10 | 82.5° | 114.9° |
| C37 | C39 | C40 | C41 | 122.6° | 120.0° |
| C37 | C39 | C40 | H46 | 118.6° | 120.0° |
| C37 | C39 | C41 | H46 | 118.1° | 120.0° |
| C37 | C39 | C40 | H47 | 180.0° | 65.1° |
| C37 | C39 | C40 | H48 | 60.0° | 174.9° |
| C37 | C39 | C40 | H49 | 60.0° | 54.9° |
| C37 | C39 | C41 | H50 | 180.0° | 57.8° |
| C37 | C39 | C41 | H51 | 60.0° | 177.8° |
| C37 | C39 | C41 | H52 | 60.0° | 62.2° |
| C39 | C37 | N10 | C32 | 144.8° | 33.2° |
| C39 | C37 | C38 | N11 | 97.7° | 65.1° |
| H45 | C37 | C38 | O10 | 160.0° | 124.7° |
| H45 | C37 | C39 | C40 | 59.4° | 173.3° |
| H45 | C37 | C39 | C41 | 63.5° | 66.7° |
| H45 | C37 | C39 | H46 | 178.2° | 53.3° |
| H45 | C37 | N10 | C32 | 26.3° | 87.2° |
| H45 | C37 | C38 | N11 | 19.8° | 55.2° |
| O10 | C38 | N11 | C42 | 1.6° | 1.3° |
| O10 | C38 | N11 | H53 | 178.4° | 178.8° |
| C40 | C39 | C41 | H46 | 118.8° | 120.0° |
| C39 | C40 | H47 | H48 | 120.0° | 120.0° |
| C39 | C40 | H47 | H49 | 120.0° | 120.0° |
| C39 | C40 | H48 | H49 | 120.0° | 120.0° |
| C40 | C39 | C41 | H50 | 56.9° | 177.8° |
| C40 | C39 | C41 | H51 | 63.1° | 62.2° |
| C40 | C39 | C41 | H52 | 176.9° | 57.8° |
| C41 | C39 | C40 | H47 | 57.3° | 54.8° |
| C41 | C39 | C40 | H48 | 177.4° | 65.2° |
| C41 | C39 | C40 | H49 | 62.6° | 174.8° |
| C39 | C41 | H50 | H51 | 120.0° | 119.9° |
| C39 | C41 | H50 | H52 | 120.0° | 120.0° |
| C39 | C41 | H51 | H52 | 120.0° | 120.0° |
| H46 | C39 | C40 | H47 | 61.4° | 174.8° |
| H46 | C39 | C40 | H48 | 58.6° | 54.8° |
| H46 | C39 | C40 | H49 | 178.6° | 65.2° |
| H46 | C39 | C41 | H50 | 61.9° | 62.1° |
| H46 | C39 | C41 | H51 | 178.1° | 57.8° |
| H46 | C39 | C41 | H52 | 58.1° | 177.8° |
| H47 | C40 | H48 | H49 | 120.0° | 120.0° |
| H50 | C41 | H51 | H52 | 120.0° | 120.1° |
| F1 | C49 | F3 | C48 | 119.7° | 120.0° |
| F1 | C49 | F3 | F2 | 119.4° | 120.1° |
| F1 | C49 | C48 | F2 | 120.0° | 120.0° |
| F1 | C49 | C48 | O12 | 29.1° | 120.0° |
| F1 | C49 | C48 | N12 | 150.7° | 60.0° |
| F3 | C49 | C48 | F2 | 120.1° | 120.0° |
| F3 | C49 | C48 | O12 | 149.0° | 120.0° |
| F3 | C49 | C48 | N12 | 30.8° | 60.0° |
| C49 | C48 | O12 | N12 | 179.8° | 180.0° |
| C49 | C48 | N12 | C47 | 179.8° | 180.0° |
| C49 | C48 | N12 | H59 | 0.2° | 0.0° |
| F2 | C49 | C48 | O12 | 90.8° | 0.0° |
| F2 | C49 | C48 | N12 | 89.3° | 180.0° |
| O12 | C48 | N12 | C47 | 0.1° | 0.0° |
| O12 | C48 | N12 | H59 | 179.9° | 180.0° |
| C48 | N12 | C47 | H59 | 180.0° | 180.0° |
| C48 | N12 | C47 | C46 | 159.2° | 180.0° |
| C48 | N12 | C47 | H58 | 38.1° | 60.0° |
| C48 | N12 | C47 | H63 | 79.7° | 60.0° |
| N12 | C47 | C46 | H58 | 121.1° | 120.0° |
| N12 | C47 | C46 | H63 | 121.1° | 120.0° |
| N12 | C47 | C46 | C45 | 174.5° | 180.0° |
| N12 | C47 | C46 | H57 | 64.3° | 60.0° |
| N12 | C47 | H58 | H63 | 116.4° | 120.0° |
| N12 | C47 | C46 | H62 | 53.2° | 60.0° |
| C47 | C46 | C45 | H57 | 121.3° | 120.0° |
| C47 | C46 | C45 | H62 | 121.3° | 120.0° |
| C47 | C46 | C45 | C44 | 178.6° | 180.0° |
| C47 | C46 | C45 | H56 | 60.2° | 60.1° |
| C47 | C46 | H57 | H62 | 116.0° | 120.0° |
| C46 | C47 | H58 | H63 | 116.4° | 120.1° |
| C46 | C47 | N12 | H59 | 20.8° | 0.0° |
| C47 | C46 | C45 | H61 | 57.5° | 60.0° |
| C46 | C45 | C44 | H56 | 121.2° | 120.0° |
| C46 | C45 | C44 | H61 | 121.2° | 119.9° |
| C46 | C45 | C44 | C42 | 177.9° | 180.0° |
| C46 | C45 | C44 | H55 | 56.7° | 60.0° |
| C46 | C45 | H56 | H61 | 116.4° | 120.1° |
| C45 | C46 | H57 | H62 | 116.0° | 120.0° |
| C45 | C46 | C47 | H58 | 53.3° | 60.0° |
| C46 | C45 | C44 | H60 | 60.8° | 60.0° |
| C45 | C46 | C47 | H63 | 64.4° | 60.0° |
| C45 | C44 | C42 | H55 | 121.2° | 120.1° |
| C45 | C44 | C42 | H60 | 121.3° | 120.0° |
| C45 | C44 | C42 | N11 | 175.1° | 65.1° |
| C45 | C44 | C42 | C43 | 63.3° | 175.6° |
| C45 | C44 | C42 | H54 | 55.5° | 55.3° |
| C45 | C44 | H55 | H60 | 116.1° | 120.0° |
| C44 | C45 | H56 | H61 | 116.4° | 120.0° |
| C44 | C45 | C46 | H57 | 57.4° | 59.9° |
| C44 | C45 | C46 | H62 | 60.1° | 60.1° |
| C44 | C42 | N11 | C43 | 121.2° | 119.8° |
| C44 | C42 | N11 | H54 | 119.2° | 120.4° |
| C44 | C42 | C43 | H54 | 118.8° | 120.4° |
| C44 | C42 | C43 | O11 | 65.4° | 106.8° |
| C44 | C42 | N11 | H53 | 5.1° | 70.5° |
| C42 | C44 | H55 | H60 | 116.0° | 120.0° |
| C42 | C44 | C45 | H56 | 60.9° | 60.0° |
| C42 | C44 | C45 | H61 | 56.7° | 60.1° |
| C44 | C42 | N11 | C38 | 174.9° | 109.4° |
| C44 | C42 | C43 | N13 | 115.0° | 73.3° |
| N11 | C42 | C43 | H54 | 120.0° | 119.8° |
| N11 | C42 | C43 | O11 | 55.8° | 13.0° |
| C42 | N11 | H53 | C38 | 180.0° | 179.9° |
| N11 | C42 | C44 | H55 | 63.6° | 55.0° |
| N11 | C42 | C44 | H60 | 53.9° | 175.0° |
| N11 | C42 | C43 | N13 | 123.9° | 166.9° |
| C42 | C43 | O11 | N13 | 179.6° | 179.9° |
| C43 | C42 | N11 | H53 | 116.1° | 49.3° |
| C43 | C42 | C44 | H55 | 58.0° | 64.3° |
| C43 | C42 | C44 | H60 | 175.5° | 55.7° |
| C42 | C43 | N13 | C50 | 175.8° | 179.9° |
| C42 | C43 | N13 | H64 | 4.2° | 0.0° |
| C43 | C42 | N11 | C38 | 63.9° | 130.8° |
| O11 | C43 | C42 | H54 | 175.8° | 132.8° |
| O11 | C43 | N13 | C50 | 3.8° | 0.1° |
| O11 | C43 | N13 | H64 | 176.2° | 180.0° |
| H53 | N11 | C42 | H54 | 124.3° | 169.1° |
| H54 | C42 | C44 | H55 | 176.8° | 175.3° |
| H54 | C42 | C44 | H60 | 65.7° | 64.7° |
| H54 | C42 | N11 | C38 | 55.7° | 11.0° |
| H54 | C42 | C43 | N13 | 3.8° | 47.2° |
| H55 | C44 | C45 | H56 | 177.9° | 180.0° |
| H55 | C44 | C45 | H61 | 64.5° | 60.0° |
| H56 | C45 | C46 | H57 | 178.5° | 179.9° |
| H56 | C45 | C44 | H60 | 60.3° | 60.0° |
| H56 | C45 | C46 | H62 | 61.1° | 59.9° |
| H57 | C46 | C47 | H58 | 174.6° | 180.0° |
| H57 | C46 | C45 | H61 | 63.8° | 60.0° |
| H57 | C46 | C47 | H63 | 56.8° | 60.0° |
| H58 | C47 | N12 | H59 | 141.9° | 120.0° |
| H58 | C47 | C46 | H62 | 67.9° | 59.9° |
| H59 | N12 | C47 | H63 | 100.3° | 120.0° |
| H60 | C44 | C45 | H61 | 178.0° | 180.0° |
| H61 | C45 | C46 | H62 | 178.7° | 180.0° |
| H62 | C46 | C47 | H63 | 174.3° | 180.0° |
| C50 | N13 | H64 | C43 | 180.0° | 179.9° |
| N13 | C50 | C51 | C52 | 121.3° | 119.8° |
| N13 | C50 | C51 | H65 | 120.7° | 119.7° |
| N13 | C50 | C52 | H65 | 120.0° | 120.3° |
| N13 | C50 | C51 | O13 | 0.8° | 8.4° |
| N13 | C50 | C52 | C53 | 67.6° | 52.2° |
| N13 | C50 | C52 | H66 | 53.2° | 172.2° |
| N13 | C50 | C52 | H67 | 171.6° | 67.8° |
| N13 | C50 | C51 | N17 | 179.2° | 171.5° |
| H64 | N13 | C50 | C51 | 40.1° | 22.3° |
| H64 | N13 | C50 | C52 | 80.3° | 142.1° |
| H64 | N13 | C50 | H65 | 160.3° | 97.4° |
| C51 | C50 | C52 | H65 | 118.1° | 120.4° |
| C50 | C51 | O13 | N17 | 179.9° | 180.0° |
| C51 | C50 | C52 | C53 | 170.5° | 67.2° |
| C51 | C50 | C52 | H66 | 68.6° | 52.9° |
| C51 | C50 | C52 | H67 | 49.7° | 172.9° |
| C50 | C51 | N17 | C56 | 170.3° | 179.8° |
| C50 | C51 | N17 | H77 | 9.7° | 0.2° |
| C51 | C50 | N13 | C43 | 139.9° | 157.6° |
| C52 | C50 | C51 | O13 | 120.5° | 128.2° |
| C50 | C52 | C53 | H66 | 120.8° | 120.0° |
| C50 | C52 | C53 | H67 | 120.8° | 120.0° |
| C50 | C52 | H66 | H67 | 117.4° | 120.0° |
| C50 | C52 | C53 | C54 | 159.7° | 174.9° |
| C50 | C52 | C53 | H68 | 80.0° | 54.9° |
| C50 | C52 | C53 | H69 | 39.4° | 65.1° |
| C52 | C50 | N13 | C43 | 99.7° | 37.8° |
| C52 | C50 | C51 | N17 | 59.5° | 51.7° |
| H65 | C50 | C51 | O13 | 121.5° | 111.3° |
| H65 | C50 | C52 | C53 | 52.4° | 172.5° |
| H65 | C50 | C52 | H66 | 173.2° | 67.5° |
| H65 | C50 | C52 | H67 | 68.4° | 52.5° |
| H65 | C50 | N13 | C43 | 19.7° | 82.6° |
| H65 | C50 | C51 | N17 | 58.6° | 68.7° |
| O13 | C51 | N17 | C56 | 9.6° | 0.2° |
| O13 | C51 | N17 | H77 | 170.3° | 179.8° |
| C53 | C52 | H66 | H67 | 117.5° | 120.0° |
| C52 | C53 | C54 | H68 | 120.3° | 120.0° |
| C52 | C53 | C54 | H69 | 120.3° | 120.0° |
| C52 | C53 | H68 | H69 | 119.1° | 120.0° |
| C52 | C53 | C54 | N14 | 71.2° | 180.0° |
| C52 | C53 | C54 | H70 | 49.2° | 59.9° |
| C52 | C53 | C54 | H71 | 168.4° | 60.0° |
| H66 | C52 | C53 | C54 | 38.9° | 65.0° |
| H66 | C52 | C53 | H68 | 159.2° | 175.0° |
| H66 | C52 | C53 | H69 | 81.5° | 55.0° |
| H67 | C52 | C53 | C54 | 79.5° | 55.0° |
| H67 | C52 | C53 | H68 | 40.8° | 65.0° |
| H67 | C52 | C53 | H69 | 160.2° | 175.0° |
| C54 | C53 | H68 | H69 | 119.1° | 119.9° |
| C53 | C54 | N14 | H70 | 120.4° | 120.0° |
| C53 | C54 | N14 | H71 | 120.4° | 120.0° |
| C53 | C54 | H70 | H71 | 118.7° | 119.9° |
| C53 | C54 | N14 | C55 | 106.8° | 180.0° |
| C53 | C54 | N14 | H72 | 73.3° | 0.0° |
| H68 | C53 | C54 | N14 | 168.5° | 60.0° |
| H68 | C53 | C54 | H70 | 71.1° | 180.0° |
| H68 | C53 | C54 | H71 | 48.1° | 60.1° |
| H69 | C53 | C54 | N14 | 49.1° | 60.0° |
| H69 | C53 | C54 | H70 | 169.5° | 60.1° |
| H69 | C53 | C54 | H71 | 71.3° | NaN° |
| N14 | C54 | H70 | H71 | 118.7° | 120.0° |
| C54 | N14 | C55 | H72 | 180.0° | 180.0° |
| C54 | N14 | C55 | N15 | 0.4° | 0.0° |
| C54 | N14 | C55 | N16 | 179.9° | 180.0° |
| H70 | C54 | N14 | C55 | 13.6° | 60.0° |
| H70 | C54 | N14 | H72 | 166.3° | 120.0° |
| H71 | C54 | N14 | C55 | 132.8° | 60.0° |
| H71 | C54 | N14 | H72 | 47.2° | 120.0° |
| N14 | C55 | N15 | N16 | 179.6° | 180.0° |
| N14 | C55 | N15 | H73 | 179.6° | 0.0° |
| N14 | C55 | N15 | H74 | 0.4° | 180.0° |
| N14 | C55 | N16 | H75 | 179.6° | 0.0° |
| N14 | C55 | N16 | H76 | 0.4° | 180.0° |
| H72 | N14 | C55 | N15 | 179.5° | 180.0° |
| H72 | N14 | C55 | N16 | 0.1° | 0.0° |
| C55 | N15 | H73 | H74 | 180.0° | 180.0° |
| N15 | C55 | N16 | H75 | 0.0° | 180.0° |
| N15 | C55 | N16 | H76 | 180.0° | 0.0° |
| N16 | C55 | N15 | H73 | 0.0° | 180.0° |
| N16 | C55 | N15 | H74 | 180.0° | 0.0° |
| C55 | N16 | H75 | H76 | 180.0° | 180.0° |
| C56 | N17 | H77 | C51 | 180.0° | 180.0° |
| N17 | C56 | C57 | C58 | 122.5° | 119.7° |
| N17 | C56 | C57 | H78 | 118.7° | 119.8° |
| N17 | C56 | C58 | H78 | 120.4° | 120.3° |
| N17 | C56 | C57 | O14 | 6.6° | 16.1° |
| N17 | C56 | C58 | C59 | 72.5° | 65.1° |
| N17 | C56 | C58 | H79 | 48.3° | 55.0° |
| N17 | C56 | C58 | H80 | 166.7° | 175.0° |
| N17 | C56 | C57 | N21 | 173.1° | 163.8° |
| H77 | N17 | C56 | C57 | 84.3° | 28.7° |
| H77 | N17 | C56 | C58 | 37.8° | 91.1° |
| H77 | N17 | C56 | H78 | 157.6° | 148.5° |
| C57 | C56 | C58 | H78 | 118.9° | 120.4° |
| C56 | C57 | O14 | N21 | 179.7° | 179.9° |
| C57 | C56 | C58 | C59 | 166.8° | 175.7° |
| C57 | C56 | C58 | H79 | 72.5° | 64.3° |
| C57 | C56 | C58 | H80 | 46.0° | 55.7° |
| C56 | C57 | N21 | C62 | 174.4° | 179.9° |
| C56 | C57 | N21 | H90 | 5.7° | 0.1° |
| C57 | C56 | N17 | C51 | 95.7° | 151.3° |
| C58 | C56 | C57 | O14 | 129.1° | 103.6° |
| C56 | C58 | C59 | H79 | 120.8° | 120.1° |
| C56 | C58 | C59 | H80 | 120.8° | 119.9° |
| C56 | C58 | H79 | H80 | 117.6° | 120.0° |
| C56 | C58 | C59 | C60 | 82.0° | 179.9° |
| C56 | C58 | C59 | H81 | 157.6° | 59.9° |
| C56 | C58 | C59 | H82 | 38.4° | 60.1° |
| C58 | C56 | N17 | C51 | 142.2° | 89.0° |
| C58 | C56 | C57 | N21 | 50.7° | 76.5° |
| H78 | C56 | C57 | O14 | 112.1° | 135.9° |
| H78 | C56 | C58 | C59 | 47.8° | 55.3° |
| H78 | C56 | C58 | H79 | 168.6° | 175.3° |
| H78 | C56 | C58 | H80 | 73.0° | 64.7° |
| H78 | C56 | N17 | C51 | 22.4° | 31.4° |
| H78 | C56 | C57 | N21 | 68.2° | 44.0° |
| O14 | C57 | N21 | C62 | 5.9° | 0.2° |
| O14 | C57 | N21 | H90 | 174.1° | 179.8° |
| C59 | C58 | H79 | H80 | 117.6° | 120.0° |
| C58 | C59 | C60 | H81 | 120.4° | 120.0° |
| C58 | C59 | C60 | H82 | 120.4° | 120.0° |
| C58 | C59 | H81 | H82 | 118.8° | 120.0° |
| C58 | C59 | C60 | N18 | 173.3° | 180.0° |
| C58 | C59 | C60 | H83 | 66.3° | 60.0° |
| C58 | C59 | C60 | H84 | 52.9° | 60.0° |
| H79 | C58 | C59 | C60 | 38.8° | 60.0° |
| H79 | C58 | C59 | H81 | 81.6° | 180.0° |
| H79 | C58 | C59 | H82 | 159.2° | 60.0° |
| H80 | C58 | C59 | C60 | 157.3° | 60.0° |
| H80 | C58 | C59 | H81 | 36.8° | 60.0° |
| H80 | C58 | C59 | H82 | 82.4° | 180.0° |
| C60 | C59 | H81 | H82 | 118.8° | 120.0° |
| C59 | C60 | N18 | H83 | 120.4° | 120.0° |
| C59 | C60 | N18 | H84 | 120.4° | 120.0° |
| C59 | C60 | H83 | H84 | 118.8° | 120.0° |
| C59 | C60 | N18 | C61 | 170.2° | 180.0° |
| C59 | C60 | N18 | H85 | 9.7° | 0.0° |
| H81 | C59 | C60 | N18 | 52.9° | 60.0° |
| H81 | C59 | C60 | H83 | 173.3° | 180.0° |
| H81 | C59 | C60 | H84 | 67.5° | 60.0° |
| H82 | C59 | C60 | N18 | 66.3° | 60.0° |
| H82 | C59 | C60 | H83 | 54.1° | 60.0° |
| H82 | C59 | C60 | H84 | 173.3° | 180.0° |
| N18 | C60 | H83 | H84 | 118.8° | 120.0° |
| C60 | N18 | C61 | H85 | 180.0° | 180.0° |
| C60 | N18 | C61 | N19 | 0.2° | 0.0° |
| C60 | N18 | C61 | N20 | 180.0° | 180.0° |
| H83 | C60 | N18 | C61 | 69.4° | 60.0° |
| H83 | C60 | N18 | H85 | 110.7° | 120.0° |
| H84 | C60 | N18 | C61 | 49.8° | 60.0° |
| H84 | C60 | N18 | H85 | 130.1° | 120.1° |
| N18 | C61 | N19 | N20 | 179.8° | 180.0° |
| N18 | C61 | N19 | H86 | 179.8° | 0.0° |
| N18 | C61 | N19 | H87 | 0.2° | 179.9° |
| N18 | C61 | N20 | H88 | 179.8° | 180.0° |
| N18 | C61 | N20 | H89 | 0.2° | 0.0° |
| H85 | N18 | C61 | N19 | 179.8° | 180.0° |
| H85 | N18 | C61 | N20 | 0.0° | 0.0° |
| C61 | N19 | H86 | H87 | 180.0° | 180.0° |
| N19 | C61 | N20 | H88 | 0.0° | 0.0° |
| N19 | C61 | N20 | H89 | 180.0° | 180.0° |
| N20 | C61 | N19 | H86 | 0.0° | 180.0° |
| N20 | C61 | N19 | H87 | 180.0° | 0.0° |
| C61 | N20 | H88 | H89 | 180.0° | 180.0° |
| C62 | N21 | H90 | C57 | 180.0° | 180.0° |
| N21 | C62 | C63 | C64 | 125.4° | 119.8° |
| N21 | C62 | C63 | H91 | 119.1° | 119.8° |
| N21 | C62 | C64 | H91 | 117.7° | 120.3° |
| N21 | C62 | C63 | O15 | 143.4° | 11.2° |
| N21 | C62 | C64 | O16 | 42.0° | 173.8° |
| N21 | C62 | C64 | C65 | 78.1° | 53.8° |
| N21 | C62 | C64 | H92 | 162.5° | 66.2° |
| N21 | C62 | C63 | N22 | 36.8° | 168.9° |
| H90 | N21 | C62 | C63 | 87.4° | 33.7° |
| H90 | N21 | C62 | C64 | 36.8° | 153.5° |
| H90 | N21 | C62 | H91 | 153.9° | 86.1° |
| C63 | C62 | C64 | H91 | 115.5° | 120.3° |
| C62 | C63 | O15 | N22 | 179.8° | 179.9° |
| C63 | C62 | C64 | O16 | 84.8° | 54.4° |
| C63 | C62 | C64 | C65 | 155.1° | 65.6° |
| C63 | C62 | C64 | H92 | 35.6° | 174.4° |
| C62 | C63 | N22 | C66 | 174.5° | 179.6° |
| C62 | C63 | N22 | H97 | 5.5° | 0.4° |
| C63 | C62 | N21 | C57 | 92.6° | 146.3° |
| C64 | C62 | C63 | O15 | 17.9° | 131.0° |
| C62 | C64 | O16 | C65 | 120.7° | 120.0° |
| C62 | C64 | O16 | H92 | 119.6° | 119.9° |
| C62 | C64 | C65 | H92 | 119.3° | 120.0° |
| C62 | C64 | O16 | H93 | 180.0° | 176.8° |
| C62 | C64 | C65 | H94 | 180.0° | 57.2° |
| C62 | C64 | C65 | H95 | 60.0° | 177.3° |
| C62 | C64 | C65 | H96 | 60.0° | 62.8° |
| C64 | C62 | N21 | C57 | 143.2° | 26.5° |
| C64 | C62 | C63 | N22 | 162.2° | 49.1° |
| H91 | C62 | C63 | O15 | 97.5° | 108.6° |
| H91 | C62 | C64 | O16 | 159.7° | 65.9° |
| H91 | C62 | C64 | C65 | 39.6° | 174.1° |
| H91 | C62 | C64 | H92 | 79.9° | 54.1° |
| H91 | C62 | N21 | C57 | 26.1° | 93.9° |
| H91 | C62 | C63 | N22 | 82.4° | 71.3° |
| O15 | C63 | N22 | C66 | 5.4° | 0.5° |
| O15 | C63 | N22 | H97 | 174.7° | 179.5° |
| O16 | C64 | C65 | H92 | 120.4° | 120.0° |
| O16 | C64 | C65 | H94 | 59.7° | 62.7° |
| O16 | C64 | C65 | H95 | 179.8° | 57.3° |
| O16 | C64 | C65 | H96 | 60.2° | 177.3° |
| C65 | C64 | O16 | H93 | 59.3° | 56.8° |
| C64 | C65 | H94 | H95 | 120.0° | 120.0° |
| C64 | C65 | H94 | H96 | 120.0° | 120.0° |
| C64 | C65 | H95 | H96 | 120.0° | 119.9° |
| H92 | C64 | O16 | H93 | 60.4° | 63.3° |
| H92 | C64 | C65 | H94 | 60.7° | 177.2° |
| H92 | C64 | C65 | H95 | 59.4° | 62.8° |
| H92 | C64 | C65 | H96 | 179.3° | 57.2° |
| H94 | C65 | H95 | H96 | 120.0° | 120.0° |
| C66 | N22 | H97 | C63 | 180.0° | 180.0° |
| N22 | C66 | C67 | C68 | 122.1° | 119.8° |
| N22 | C66 | C67 | H98 | 119.7° | 119.7° |
| N22 | C66 | C68 | H98 | 119.6° | 120.5° |
| N22 | C66 | C67 | O17 | 37.8° | 6.7° |
| N22 | C66 | C68 | C69 | 62.7° | 63.0° |
| N22 | C66 | C68 | H99 | 57.7° | 177.0° |
| N22 | C66 | C68 | H100 | 176.8° | 57.0° |
| N22 | C66 | C67 | N24 | 142.1° | 173.2° |
| H97 | N22 | C66 | C67 | 98.7° | 33.7° |
| H97 | N22 | C66 | C68 | 23.1° | 86.0° |
| H97 | N22 | C66 | H98 | 142.1° | 153.5° |
| C67 | C66 | C68 | H98 | 118.3° | 120.4° |
| C66 | C67 | O17 | N24 | 179.9° | 180.0° |
| C67 | C66 | C68 | C69 | 175.2° | 56.2° |
| C67 | C66 | C68 | H99 | 64.3° | 63.8° |
| C67 | C66 | C68 | H100 | 54.7° | 176.1° |
| C66 | C67 | N24 | C70 | 177.3° | 179.7° |
| C66 | C67 | N24 | H103 | 2.7° | 0.2° |
| C67 | C66 | N22 | C63 | 81.3° | 146.3° |
| C68 | C66 | C67 | O17 | 84.3° | 113.0° |
| C66 | C68 | C69 | H99 | 120.5° | 120.0° |
| C66 | C68 | C69 | H100 | 120.5° | 119.9° |
| C66 | C68 | H99 | H100 | 118.6° | 120.0° |
| C66 | C68 | C69 | O18 | 47.9° | 6.0° |
| C66 | C68 | C69 | N23 | 131.7° | 174.0° |
| C68 | C66 | N22 | C63 | 157.0° | 94.0° |
| C68 | C66 | C67 | N24 | 95.8° | 67.0° |
| H98 | C66 | C67 | O17 | 157.4° | 126.5° |
| H98 | C66 | C68 | C69 | 56.9° | 176.6° |
| H98 | C66 | C68 | H99 | 177.4° | 56.6° |
| H98 | C66 | C68 | H100 | 63.6° | 63.5° |
| H98 | C66 | N22 | C63 | 37.9° | 26.6° |
| H98 | C66 | C67 | N24 | 22.4° | 53.5° |
| O17 | C67 | N24 | C70 | 2.8° | 0.3° |
| O17 | C67 | N24 | H103 | 177.2° | 179.8° |
| C69 | C68 | H99 | H100 | 118.6° | 120.0° |
| C68 | C69 | O18 | N23 | 179.6° | 180.0° |
| C68 | C69 | N23 | H101 | 179.6° | 0.0° |
| C68 | C69 | N23 | H102 | 0.4° | 180.0° |
| H99 | C68 | C69 | O18 | 168.4° | 126.0° |
| H99 | C68 | C69 | N23 | 11.2° | 54.0° |
| H100 | C68 | C69 | O18 | 72.6° | 114.0° |
| H100 | C68 | C69 | N23 | 107.8° | 66.0° |
| O18 | C69 | N23 | H101 | 0.0° | 180.0° |
| O18 | C69 | N23 | H102 | 180.0° | 0.0° |
| C69 | N23 | H101 | H102 | 180.0° | 180.0° |
| C70 | N24 | H103 | C67 | 180.0° | 179.9° |
| N24 | C70 | C71 | C72 | 124.0° | 119.9° |
| N24 | C70 | C71 | H104 | 118.5° | 119.9° |
| N24 | C70 | C72 | H104 | 118.6° | 120.2° |
| N24 | C70 | C71 | O19 | 132.9° | 28.1° |
| N24 | C70 | C72 | C73 | 63.2° | 142.0° |
| N24 | C70 | C72 | H105 | 57.3° | 22.1° |
| N24 | C70 | C72 | H106 | 176.2° | 97.9° |
| N24 | C70 | C71 | N25 | 46.7° | 152.0° |
| H103 | N24 | C70 | C71 | 90.8° | 6.2° |
| H103 | N24 | C70 | C72 | 33.2° | 126.0° |
| H103 | N24 | C70 | H104 | 151.3° | 113.7° |
| C71 | C70 | C72 | H104 | 117.6° | 120.2° |
| C70 | C71 | O19 | N25 | 179.5° | 179.9° |
| C71 | C70 | C72 | C73 | 172.9° | 98.4° |
| C71 | C70 | C72 | H105 | 66.5° | 141.6° |
| C71 | C70 | C72 | H106 | 52.4° | 21.6° |
| C70 | C71 | N25 | C79 | 175.8° | 179.1° |
| C70 | C71 | N25 | H112 | 4.2° | 0.8° |
| C71 | C70 | N24 | C67 | 89.2° | 173.7° |
| C72 | C70 | C71 | O19 | 8.9° | 147.9° |
| C70 | C72 | C73 | H105 | 120.5° | 119.9° |
| C70 | C72 | C73 | H106 | 120.5° | 120.0° |
| C70 | C72 | H105 | H106 | 118.4° | 120.0° |
| C70 | C72 | C73 | C74 | 65.6° | 138.5° |
| C70 | C72 | C73 | C75 | 114.0° | 41.8° |
| C72 | C70 | N24 | C67 | 146.8° | 53.9° |
| C72 | C70 | C71 | N25 | 170.6° | 32.2° |
| H104 | C70 | C71 | O19 | 108.6° | 91.8° |
| H104 | C70 | C72 | C73 | 55.3° | 21.8° |
| H104 | C70 | C72 | H105 | 175.9° | 98.2° |
| H104 | C70 | C72 | H106 | 65.2° | 141.8° |
| H104 | C70 | N24 | C67 | 28.7° | 66.4° |
| H104 | C70 | C71 | N25 | 71.8° | 88.1° |
| O19 | C71 | N25 | C79 | 4.6° | 0.8° |
| O19 | C71 | N25 | H112 | 175.4° | 179.3° |
| C73 | C72 | H105 | H106 | 118.4° | 120.0° |
| C72 | C73 | C74 | C75 | 179.6° | 179.7° |
| C72 | C73 | C74 | C76 | 179.7° | 180.0° |
| C72 | C73 | C74 | H107 | 0.3° | 0.1° |
| C72 | C73 | C75 | C77 | 179.8° | 179.9° |
| C72 | C73 | C75 | H108 | 0.2° | 0.0° |
| H105 | C72 | C73 | C74 | 173.9° | 18.6° |
| H105 | C72 | C73 | C75 | 6.6° | 161.8° |
| H106 | C72 | C73 | C74 | 54.9° | 101.4° |
| H106 | C72 | C73 | C75 | 125.5° | 78.2° |
| C73 | C74 | C76 | H107 | 180.0° | 179.9° |
| C74 | C73 | C75 | C77 | 0.2° | 0.3° |
| C74 | C73 | C75 | H108 | 179.8° | 179.7° |
| C73 | C74 | C76 | C78 | 0.0° | 0.1° |
| C73 | C74 | C76 | H109 | 180.0° | 179.9° |
| C75 | C73 | C74 | C76 | 0.1° | 0.3° |
| C75 | C73 | C74 | H107 | 179.9° | 179.8° |
| C73 | C75 | C77 | H108 | 180.0° | 180.0° |
| C73 | C75 | C77 | C78 | 0.2° | 0.0° |
| C73 | C75 | C77 | H110 | 179.9° | 180.0° |
| C74 | C76 | C78 | H109 | 180.0° | 180.0° |
| C74 | C76 | C78 | C77 | 0.1° | 0.2° |
| C74 | C76 | C78 | O20 | 180.0° | 180.0° |
| H107 | C74 | C76 | C78 | 180.0° | 180.0° |
| H107 | C74 | C76 | H109 | 0.0° | 0.0° |
| C75 | C77 | C78 | C76 | 0.0° | 0.3° |
| C75 | C77 | C78 | H110 | 180.0° | 180.0° |
| C75 | C77 | C78 | O20 | 179.9° | 179.9° |
| H108 | C75 | C77 | C78 | 179.8° | 180.0° |
| H108 | C75 | C77 | H110 | 0.1° | 0.0° |
| C76 | C78 | C77 | O20 | 179.9° | 179.8° |
| C76 | C78 | C77 | H110 | 180.0° | 179.7° |
| C76 | C78 | O20 | H111 | 180.0° | 90.1° |
| H109 | C76 | C78 | C77 | 179.9° | 179.8° |
| H109 | C76 | C78 | O20 | 0.0° | 0.1° |
| C77 | C78 | O20 | H111 | 0.1° | 89.8° |
| H110 | C77 | C78 | O20 | 0.0° | 0.1° |
| C79 | N25 | H112 | C71 | 180.0° | 179.9° |
| N25 | C79 | C80 | C81 | 123.3° | 119.8° |
| N25 | C79 | C80 | H113 | 118.9° | 119.8° |
| N25 | C79 | C81 | H113 | 119.6° | 120.3° |
| N25 | C79 | C80 | O21 | 0.8° | 55.3° |
| N25 | C79 | C81 | C82 | 48.0° | 65.0° |
| N25 | C79 | C81 | H114 | 168.8° | 54.9° |
| N25 | C79 | C81 | H115 | 72.8° | 174.9° |
| N25 | C79 | C80 | N26 | 179.3° | 124.8° |
| H112 | N25 | C79 | C80 | 17.4° | 62.1° |
| H112 | N25 | C79 | C81 | 105.2° | 57.7° |
| H112 | N25 | C79 | H113 | 135.8° | 178.1° |
| C80 | C79 | C81 | H113 | 117.8° | 120.4° |
| C79 | C80 | O21 | N26 | 180.0° | 179.9° |
| C80 | C79 | C81 | C82 | 74.6° | 175.7° |
| C80 | C79 | C81 | H114 | 46.2° | 64.4° |
| C80 | C79 | C81 | H115 | 164.6° | 55.6° |
| C79 | C80 | N26 | C88 | 179.1° | 179.3° |
| C79 | C80 | N26 | H121 | 0.8° | 0.7° |
| C80 | C79 | N25 | C71 | 162.6° | 118.0° |
| C81 | C79 | C80 | O21 | 124.0° | 175.1° |
| C79 | C81 | C82 | H114 | 120.8° | 119.9° |
| C79 | C81 | C82 | H115 | 120.8° | 120.0° |
| C79 | C81 | H114 | H115 | 117.5° | 120.0° |
| C79 | C81 | C82 | C83 | 81.2° | 90.0° |
| C79 | C81 | C82 | C84 | 99.9° | 90.3° |
| C81 | C79 | N25 | C71 | 74.8° | 122.2° |
| C81 | C79 | C80 | N26 | 56.0° | 4.9° |
| H113 | C79 | C80 | O21 | 118.2° | 64.4° |
| H113 | C79 | C81 | C82 | 167.6° | 55.3° |
| H113 | C79 | C81 | H114 | 71.6° | 175.2° |
| H113 | C79 | C81 | H115 | 46.8° | 64.8° |
| H113 | C79 | N25 | C71 | 44.2° | 1.8° |
| H113 | C79 | C80 | N26 | 61.8° | 115.5° |
| O21 | C80 | N26 | C88 | 0.8° | 0.6° |
| O21 | C80 | N26 | H121 | 179.2° | 179.4° |
| C82 | C81 | H114 | H115 | 117.5° | 120.0° |
| C81 | C82 | C83 | C84 | 178.9° | 179.8° |
| C81 | C82 | C83 | C85 | 179.6° | 180.0° |
| C81 | C82 | C83 | H116 | 0.4° | 0.0° |
| C81 | C82 | C84 | C86 | 179.6° | 179.9° |
| C81 | C82 | C84 | H117 | 0.4° | 0.0° |
| H114 | C81 | C82 | C83 | 39.5° | 30.0° |
| H114 | C81 | C82 | C84 | 139.3° | 149.8° |
| H115 | C81 | C82 | C83 | 157.9° | 150.0° |
| H115 | C81 | C82 | C84 | 20.9° | 29.8° |
| C82 | C83 | C85 | H116 | 180.0° | 180.0° |
| C83 | C82 | C84 | C86 | 0.7° | 0.2° |
| C83 | C82 | C84 | H117 | 179.3° | 179.7° |
| C82 | C83 | C85 | C87 | 0.4° | 0.0° |
| C82 | C83 | C85 | H118 | 179.6° | 180.0° |
| C84 | C82 | C83 | C85 | 0.7° | 0.3° |
| C84 | C82 | C83 | H116 | 179.3° | 179.8° |
| C82 | C84 | C86 | H117 | 180.0° | 179.9° |
| C82 | C84 | C86 | C87 | 0.3° | 0.1° |
| C82 | C84 | C86 | H119 | 179.6° | 180.0° |
| C83 | C85 | C87 | H118 | 180.0° | 180.0° |
| C83 | C85 | C87 | C86 | 0.1° | 0.3° |
| C83 | C85 | C87 | O22 | 179.9° | 180.0° |
| H116 | C83 | C85 | C87 | 179.6° | 180.0° |
| H116 | C83 | C85 | H118 | 0.4° | 0.0° |
| C84 | C86 | C87 | C85 | 0.0° | 0.4° |
| C84 | C86 | C87 | H119 | 180.0° | 179.9° |
| C84 | C86 | C87 | O22 | 180.0° | 179.9° |
| H117 | C84 | C86 | C87 | 179.7° | 180.0° |
| H117 | C84 | C86 | H119 | 0.4° | 0.1° |
| C85 | C87 | C86 | O22 | 180.0° | 179.8° |
| C85 | C87 | C86 | H119 | 179.9° | 179.7° |
| C85 | C87 | O22 | H120 | 180.0° | 90.0° |
| H118 | C85 | C87 | C86 | 179.9° | 179.7° |
| H118 | C85 | C87 | O22 | 0.1° | 0.0° |
| C86 | C87 | O22 | H120 | 0.0° | 89.8° |
| H119 | C86 | C87 | O22 | 0.1° | 0.0° |
| C88 | N26 | H121 | C80 | 180.0° | 180.0° |
| N26 | C88 | C89 | C90 | 122.7° | 119.5° |
| N26 | C88 | C89 | H122 | 119.7° | 120.2° |
| N26 | C88 | C90 | H122 | 119.0° | 120.0° |
| N26 | C88 | C89 | O23 | 70.0° | 56.7° |
| N26 | C88 | C90 | S1 | 177.4° | 154.8° |
| N26 | C88 | C90 | H123 | 62.0° | 34.5° |
| N26 | C88 | C90 | H124 | 56.9° | 85.5° |
| N26 | C88 | C89 | N27 | 110.0° | 123.2° |
| H121 | N26 | C88 | C89 | 63.4° | 162.4° |
| H121 | N26 | C88 | C90 | 58.9° | 42.6° |
| H121 | N26 | C88 | H122 | 177.4° | 77.4° |
| C89 | C88 | C90 | H122 | 117.5° | 120.2° |
| C88 | C89 | O23 | N27 | 180.0° | 179.9° |
| C89 | C88 | C90 | S1 | 54.0° | 85.4° |
| C89 | C88 | C90 | H123 | 174.5° | 154.3° |
| C89 | C88 | C90 | H124 | 66.6° | 34.4° |
| C88 | C89 | N27 | H125 | 180.0° | 0.0° |
| C88 | C89 | N27 | H126 | 0.1° | 180.0° |
| C89 | C88 | N26 | C80 | 116.7° | 17.6° |
| C90 | C88 | C89 | O23 | 52.7° | 62.8° |
| C88 | C90 | S1 | H123 | 120.6° | 120.1° |
| C88 | C90 | S1 | H124 | 120.6° | 119.8° |
| C88 | C90 | H123 | H124 | 118.3° | 120.0° |
| C88 | C90 | S1 | C2 | 139.0° | 130.7° |
| C90 | C88 | N26 | C80 | 121.1° | 137.4° |
| C90 | C88 | C89 | N27 | 127.2° | 117.3° |
| H122 | C88 | C89 | O23 | 170.3° | 176.9° |
| H122 | C88 | C90 | S1 | 63.6° | 34.9° |
| H122 | C88 | C90 | H123 | 57.0° | 85.4° |
| H122 | C88 | C90 | H124 | 175.9° | 154.6° |
| H122 | C88 | N26 | C80 | 2.6° | 102.6° |
| H122 | C88 | C89 | N27 | 9.7° | 3.0° |
| O23 | C89 | N27 | H125 | 0.0° | 180.0° |
| O23 | C89 | N27 | H126 | 180.0° | 0.1° |
| S1 | C90 | H123 | H124 | 118.2° | 120.0° |
| H123 | C90 | S1 | C2 | 18.4° | 109.2° |
| H124 | C90 | S1 | C2 | 100.4° | 10.8° |
| H125 | N27 | H126 | C89 | 180.0° | 180.0° |
| N1 | C1 | C2 | S1 | 125.4° | 172.1° |
