PRD_000220
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C1 | sing | 1.47Å | 1.48Å | |
| N1 | H1 | sing | 1.01Å | 1.00Å | |
| N1 | H2 | sing | 1.01Å | 1.00Å | |
| C1 | C2 | sing | 1.51Å | 1.50Å | |
| C1 | C3 | sing | 1.51Å | 1.50Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C2 | O1 | doub | 1.21Å | 1.25Å | |
| C3 | C4 | doub | 1.38Å | 1.40Å | Aromatic |
| C3 | C8 | sing | 1.38Å | 1.37Å | Aromatic |
| C4 | C5 | sing | 1.38Å | 1.39Å | Aromatic |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C5 | C6 | doub | 1.39Å | 1.38Å | Aromatic |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C6 | O2 | sing | 1.36Å | 1.37Å | |
| C6 | C7 | sing | 1.39Å | 1.37Å | Aromatic |
| O2 | H6 | sing | 0.97Å | 0.95Å | |
| C7 | C8 | doub | 1.38Å | 1.40Å | Aromatic |
| C7 | H7 | sing | 1.08Å | 1.08Å | |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| N2 | C9 | sing | 1.46Å | 1.47Å | |
| N2 | H9 | sing | 0.97Å | 1.00Å | |
| C9 | C10 | sing | 1.51Å | 1.55Å | |
| C9 | C11 | sing | 1.51Å | 1.50Å | |
| C9 | H10 | sing | 1.09Å | 1.10Å | |
| C10 | O3 | doub | 1.21Å | 1.28Å | |
| C11 | C12 | doub | 1.38Å | 1.40Å | Aromatic |
| C11 | C16 | sing | 1.38Å | 1.39Å | Aromatic |
| C12 | C13 | sing | 1.39Å | 1.39Å | Aromatic |
| C12 | H11 | sing | 1.08Å | 1.08Å | |
| C13 | O4 | sing | 1.36Å | 1.36Å | |
| C13 | C14 | doub | 1.39Å | 1.40Å | Aromatic |
| O4 | H12 | sing | 0.97Å | 0.95Å | |
| C14 | C15 | sing | 1.39Å | 1.43Å | Aromatic |
| C14 | H13 | sing | 1.08Å | 1.08Å | |
| C15 | O5 | sing | 1.36Å | 1.35Å | |
| C15 | C16 | doub | 1.39Å | 1.39Å | Aromatic |
| O5 | H14 | sing | 0.97Å | 0.95Å | |
| C16 | H15 | sing | 1.08Å | 1.08Å | |
| N3 | C17 | sing | 1.46Å | 1.45Å | |
| N3 | H16 | sing | 0.97Å | 1.00Å | |
| C17 | C18 | sing | 1.51Å | 1.53Å | |
| C17 | C19 | sing | 1.53Å | 1.55Å | |
| C17 | H17 | sing | 1.09Å | 1.10Å | |
| C18 | O6 | doub | 1.21Å | 1.21Å | |
| C19 | C20 | sing | 1.53Å | 1.52Å | |
| C19 | C21 | sing | 1.53Å | 1.53Å | |
| C19 | H18 | sing | 1.09Å | 1.10Å | |
| C20 | H19 | sing | 1.09Å | 1.10Å | |
| C20 | H20 | sing | 1.09Å | 1.10Å | |
| C20 | H21 | sing | 1.09Å | 1.10Å | |
| C21 | H22 | sing | 1.09Å | 1.10Å | |
| C21 | H23 | sing | 1.09Å | 1.10Å | |
| C21 | H24 | sing | 1.09Å | 1.10Å | |
| N4 | C22 | sing | 1.47Å | 1.44Å | |
| N4 | H25 | sing | 0.97Å | 1.00Å | |
| C22 | C23 | sing | 1.51Å | 1.55Å | |
| C22 | C24 | sing | 1.51Å | 1.50Å | |
| C22 | H26 | sing | 1.09Å | 1.10Å | |
| C23 | O7 | doub | 1.21Å | 1.22Å | |
| C24 | C25 | doub | 1.38Å | 1.36Å | Aromatic |
| C24 | C29 | sing | 1.38Å | 1.39Å | Aromatic |
| C25 | C26 | sing | 1.39Å | 1.38Å | Aromatic |
| C25 | H27 | sing | 1.08Å | 1.08Å | |
| C26 | O8 | sing | 1.36Å | 1.38Å | |
| C26 | C27 | doub | 1.39Å | 1.41Å | Aromatic |
| O8 | H28 | sing | 0.97Å | 0.95Å | |
| C27 | C28 | sing | 1.39Å | 1.42Å | Aromatic |
| C27 | H29 | sing | 1.08Å | 1.08Å | |
| C28 | O9 | sing | 1.36Å | 1.35Å | |
| C28 | C29 | doub | 1.39Å | 1.38Å | Aromatic |
| O9 | H30 | sing | 0.97Å | 0.95Å | |
| C29 | H31 | sing | 1.08Å | 1.08Å | |
| N5 | C30 | sing | 1.47Å | 1.47Å | |
| N5 | H32 | sing | 0.97Å | 1.00Å | |
| C30 | C31 | sing | 1.51Å | 1.52Å | |
| C30 | C32 | sing | 1.51Å | 1.50Å | |
| C30 | H33 | sing | 1.09Å | 1.10Å | |
| C31 | O10 | doub | 1.21Å | 1.27Å | |
| C32 | C33 | doub | 1.38Å | 1.35Å | Aromatic |
| C32 | C37 | sing | 1.38Å | 1.40Å | Aromatic |
| C33 | C34 | sing | 1.38Å | 1.38Å | Aromatic |
| C33 | H34 | sing | 1.08Å | 1.08Å | |
| C34 | C35 | doub | 1.39Å | 1.38Å | Aromatic |
| C34 | H35 | sing | 1.08Å | 1.08Å | |
| C35 | O11 | sing | 1.36Å | 1.38Å | |
| C35 | C36 | sing | 1.39Å | 1.39Å | Aromatic |
| O11 | H36 | sing | 0.97Å | 0.95Å | |
| C36 | C37 | doub | 1.38Å | 1.39Å | Aromatic |
| C36 | H37 | sing | 1.08Å | 1.08Å | |
| C37 | H38 | sing | 1.08Å | 1.08Å | |
| N6 | C38 | sing | 1.47Å | 1.45Å | |
| N6 | H39 | sing | 0.97Å | 1.00Å | |
| C38 | C39 | sing | 1.51Å | 1.53Å | |
| C38 | C40 | sing | 1.51Å | 1.50Å | |
| C38 | H40 | sing | 1.09Å | 1.10Å | |
| C39 | O12 | doub | 1.21Å | 1.27Å | |
| C40 | C41 | doub | 1.38Å | 1.35Å | Aromatic |
| C40 | C45 | sing | 1.38Å | 1.38Å | Aromatic |
| C41 | C42 | sing | 1.39Å | 1.37Å | Aromatic |
| C41 | H41 | sing | 1.08Å | 1.08Å | |
| C42 | O13 | sing | 1.36Å | 1.40Å | |
| C42 | C43 | doub | 1.39Å | 1.36Å | Aromatic |
| O13 | H42 | sing | 0.97Å | 0.95Å | |
| C43 | C44 | sing | 1.39Å | 1.43Å | Aromatic |
| C43 | H43 | sing | 1.08Å | 1.08Å | |
| C44 | O14 | sing | 1.36Å | 1.38Å | |
| C44 | C45 | doub | 1.39Å | 1.39Å | Aromatic |
| O14 | H44 | sing | 0.97Å | 0.95Å | |
| C45 | H45 | sing | 1.08Å | 1.08Å | |
| N7 | C46 | sing | 1.46Å | 1.49Å | |
| N7 | H46 | sing | 0.97Å | 1.00Å | |
| C46 | C47 | sing | 1.51Å | 1.51Å | |
| C46 | C48 | sing | 1.51Å | 1.53Å | |
| C46 | H47 | sing | 1.09Å | 1.10Å | |
| C47 | O15 | doub | 1.21Å | 1.25Å | |
| C48 | C49 | doub | 1.38Å | 1.36Å | Aromatic |
| C48 | C53 | sing | 1.38Å | 1.40Å | Aromatic |
| C49 | C50 | sing | 1.38Å | 1.40Å | Aromatic |
| C49 | H48 | sing | 1.08Å | 1.08Å | |
| C50 | C51 | doub | 1.39Å | 1.38Å | Aromatic |
| C50 | H49 | sing | 1.08Å | 1.08Å | |
| C51 | O16 | sing | 1.36Å | 1.36Å | |
| C51 | C52 | sing | 1.39Å | 1.38Å | Aromatic |
| O16 | H50 | sing | 0.97Å | 0.95Å | |
| C52 | C53 | doub | 1.38Å | 1.39Å | Aromatic |
| C52 | H51 | sing | 1.08Å | 1.08Å | |
| C53 | H52 | sing | 1.08Å | 1.08Å | |
| N8 | C54 | sing | 1.46Å | 1.45Å | |
| N8 | H53 | sing | 0.97Å | 1.00Å | |
| C54 | C55 | sing | 1.51Å | 1.56Å | |
| C54 | C56 | sing | 1.51Å | 1.48Å | |
| C54 | H54 | sing | 1.09Å | 1.10Å | |
| C55 | O17 | doub | 1.21Å | 1.23Å | |
| C56 | C57 | doub | 1.38Å | 1.37Å | Aromatic |
| C56 | C61 | sing | 1.38Å | 1.40Å | Aromatic |
| C57 | C58 | sing | 1.39Å | 1.36Å | Aromatic |
| C57 | H55 | sing | 1.08Å | 1.08Å | |
| C58 | O18 | sing | 1.36Å | 1.37Å | |
| C58 | C59 | doub | 1.39Å | 1.41Å | Aromatic |
| O18 | H56 | sing | 0.97Å | 0.95Å | |
| C59 | C60 | sing | 1.39Å | 1.41Å | Aromatic |
| C59 | H57 | sing | 1.08Å | 1.08Å | |
| C60 | O19 | sing | 1.36Å | 1.35Å | |
| C60 | C61 | doub | 1.39Å | 1.39Å | Aromatic |
| O19 | H58 | sing | 0.97Å | 0.95Å | |
| C61 | H59 | sing | 1.08Å | 1.08Å | |
| N9 | C62 | sing | 1.47Å | 1.45Å | |
| N9 | H60 | sing | 0.97Å | 1.00Å | |
| C62 | C63 | sing | 1.51Å | 1.52Å | |
| C62 | C64 | sing | 1.53Å | 1.54Å | |
| C62 | H61 | sing | 1.09Å | 1.10Å | |
| C63 | O20 | doub | 1.21Å | 1.21Å | |
| C64 | C65 | sing | 1.53Å | 1.53Å | |
| C64 | C66 | sing | 1.53Å | 1.51Å | |
| C64 | H62 | sing | 1.09Å | 1.10Å | |
| C65 | H63 | sing | 1.09Å | 1.10Å | |
| C65 | H64 | sing | 1.09Å | 1.10Å | |
| C65 | H65 | sing | 1.09Å | 1.10Å | |
| C66 | H66 | sing | 1.09Å | 1.10Å | |
| C66 | H67 | sing | 1.09Å | 1.10Å | |
| C66 | H68 | sing | 1.09Å | 1.10Å | |
| N10 | C67 | sing | 1.46Å | 1.48Å | |
| N10 | H69 | sing | 0.97Å | 1.00Å | |
| C67 | C68 | sing | 1.51Å | 1.56Å | |
| C67 | C69 | sing | 1.51Å | 1.51Å | |
| C67 | H70 | sing | 1.09Å | 1.10Å | |
| C68 | O21 | doub | 1.21Å | 1.24Å | |
| C69 | C70 | doub | 1.38Å | 1.35Å | Aromatic |
| C69 | C74 | sing | 1.38Å | 1.38Å | Aromatic |
| C70 | C71 | sing | 1.39Å | 1.40Å | Aromatic |
| C70 | H71 | sing | 1.08Å | 1.08Å | |
| C71 | O22 | sing | 1.36Å | 1.35Å | |
| C71 | C72 | doub | 1.39Å | 1.39Å | Aromatic |
| O22 | H72 | sing | 0.97Å | 0.95Å | |
| C72 | C73 | sing | 1.39Å | 1.42Å | Aromatic |
| C72 | H73 | sing | 1.08Å | 1.08Å | |
| C73 | O23 | sing | 1.36Å | 1.39Å | |
| C73 | C74 | doub | 1.39Å | 1.38Å | Aromatic |
| O23 | H74 | sing | 0.97Å | 0.95Å | |
| C74 | H75 | sing | 1.08Å | 1.08Å | |
| N11 | C75 | sing | 1.46Å | 1.50Å | |
| N11 | H76 | sing | 0.97Å | 1.00Å | |
| C75 | C76 | sing | 1.51Å | 1.51Å | |
| C75 | C77 | sing | 1.51Å | 1.51Å | |
| C75 | H77 | sing | 1.09Å | 1.10Å | |
| C76 | O24 | doub | 1.21Å | 1.27Å | |
| C77 | C78 | doub | 1.38Å | 1.35Å | Aromatic |
| C77 | C82 | sing | 1.38Å | 1.40Å | Aromatic |
| C78 | C79 | sing | 1.38Å | 1.37Å | Aromatic |
| C78 | H78 | sing | 1.08Å | 1.08Å | |
| C79 | C80 | doub | 1.39Å | 1.38Å | Aromatic |
| C79 | H79 | sing | 1.08Å | 1.08Å | |
| C80 | O25 | sing | 1.36Å | 1.37Å | |
| C80 | C81 | sing | 1.39Å | 1.40Å | Aromatic |
| O25 | H80 | sing | 0.97Å | 0.95Å | |
| C81 | C82 | doub | 1.38Å | 1.38Å | Aromatic |
| C81 | H81 | sing | 1.08Å | 1.08Å | |
| C82 | H82 | sing | 1.08Å | 1.08Å | |
| N12 | C83 | sing | 1.47Å | 1.47Å | |
| N12 | H83 | sing | 0.97Å | 1.00Å | |
| C83 | C84 | sing | 1.51Å | 1.51Å | |
| C83 | C85 | sing | 1.53Å | 1.53Å | |
| C83 | H84 | sing | 1.09Å | 1.10Å | |
| C84 | O26 | doub | 1.21Å | 1.24Å | |
| C85 | C86 | sing | 1.51Å | 1.50Å | |
| C85 | H85 | sing | 1.09Å | 1.10Å | |
| C85 | H86 | sing | 1.09Å | 1.10Å | |
| C86 | C87 | doub | 1.38Å | 1.39Å | Aromatic |
| C86 | C88 | sing | 1.38Å | 1.39Å | Aromatic |
| C87 | C89 | sing | 1.38Å | 1.38Å | Aromatic |
| C87 | H87 | sing | 1.08Å | 1.08Å | |
| C88 | C90 | doub | 1.38Å | 1.37Å | Aromatic |
| C88 | H88 | sing | 1.08Å | 1.08Å | |
| C89 | C91 | doub | 1.38Å | 1.39Å | Aromatic |
| C89 | H89 | sing | 1.08Å | 1.08Å | |
| C90 | C91 | sing | 1.38Å | 1.40Å | Aromatic |
| C90 | H90 | sing | 1.08Å | 1.08Å | |
| C91 | H91 | sing | 1.08Å | 1.08Å | |
| N13 | C92 | sing | 1.46Å | 1.44Å | |
| N13 | H92 | sing | 0.97Å | 1.00Å | |
| C92 | C93 | sing | 1.51Å | 1.54Å | |
| C92 | C94 | sing | 1.53Å | 1.52Å | |
| C92 | H93 | sing | 1.09Å | 1.10Å | |
| C93 | O27 | doub | 1.21Å | 1.24Å | |
| C93 | O30 | sing | 1.34Å | 1.21Å | |
| C94 | C95 | sing | 1.51Å | 1.52Å | |
| C94 | H94 | sing | 1.09Å | 1.10Å | |
| C94 | H95 | sing | 1.09Å | 1.10Å | |
| C95 | O28 | doub | 1.21Å | 1.26Å | |
| C95 | O29 | sing | 1.34Å | 1.23Å | |
| O29 | H96 | sing | 0.97Å | 0.95Å | |
| O30 | H97 | sing | 0.97Å | 0.95Å | |
| C2 | N2 | sing | 1.35Å | 1.33Å | |
| C10 | N3 | sing | 1.35Å | 1.32Å | |
| C18 | N4 | sing | 1.35Å | 1.35Å | |
| C23 | N5 | sing | 1.35Å | 1.31Å | |
| C31 | N6 | sing | 1.35Å | 1.33Å | |
| C39 | N7 | sing | 1.35Å | 1.32Å | |
| C47 | N8 | sing | 1.35Å | 1.30Å | |
| C55 | N9 | sing | 1.35Å | 1.33Å | |
| C63 | N10 | sing | 1.35Å | 1.34Å | |
| C68 | N11 | sing | 1.35Å | 1.31Å | |
| C76 | N12 | sing | 1.35Å | 1.32Å | |
| C84 | N13 | sing | 1.35Å | 1.30Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | N1 | H1 | 109.5° | 111.0° |
| C1 | N1 | H2 | 109.5° | 111.0° |
| N1 | C1 | C2 | 109.1° | 109.5° |
| N1 | C1 | C3 | 112.1° | 109.5° |
| N1 | C1 | H3 | 108.1° | 109.5° |
| H1 | N1 | H2 | 109.5° | 111.0° |
| C2 | C1 | C3 | 111.7° | 109.5° |
| C2 | C1 | H3 | 107.8° | 109.4° |
| C1 | C2 | O1 | 121.2° | 120.0° |
| C1 | C2 | N2 | 118.2° | 120.1° |
| C3 | C1 | H3 | 107.8° | 109.5° |
| C1 | C3 | C4 | 117.2° | 120.0° |
| C1 | C3 | C8 | 119.5° | 119.9° |
| O1 | C2 | N2 | 120.5° | 120.0° |
| C4 | C3 | C8 | 123.3° | 120.1° |
| C3 | C4 | C5 | 113.8° | 120.0° |
| C3 | C4 | H4 | 123.1° | 120.0° |
| C3 | C8 | C7 | 123.8° | 120.1° |
| C3 | C8 | H8 | 118.1° | 119.9° |
| C5 | C4 | H4 | 123.1° | 120.0° |
| C4 | C5 | C6 | 120.9° | 119.9° |
| C4 | C5 | H5 | 119.6° | 120.0° |
| C6 | C5 | H5 | 119.6° | 120.0° |
| C5 | C6 | O2 | 116.7° | 120.1° |
| C5 | C6 | C7 | 126.7° | 119.9° |
| O2 | C6 | C7 | 116.3° | 120.0° |
| C6 | O2 | H6 | 109.5° | 114.0° |
| C6 | C7 | C8 | 111.2° | 119.9° |
| C6 | C7 | H7 | 124.4° | 120.0° |
| C8 | C7 | H7 | 124.4° | 120.1° |
| C7 | C8 | H8 | 118.1° | 120.0° |
| C9 | N2 | H9 | 119.7° | 120.0° |
| N2 | C9 | C10 | 110.4° | 109.5° |
| N2 | C9 | C11 | 111.4° | 109.5° |
| N2 | C9 | H10 | 109.7° | 109.5° |
| C9 | N2 | C2 | 120.5° | 120.0° |
| H9 | N2 | C2 | 119.7° | 120.0° |
| C10 | C9 | C11 | 107.2° | 109.5° |
| C10 | C9 | H10 | 108.7° | 109.5° |
| C9 | C10 | O3 | 120.3° | 120.0° |
| C9 | C10 | N3 | 116.5° | 120.0° |
| C11 | C9 | H10 | 109.4° | 109.5° |
| C9 | C11 | C12 | 122.6° | 119.9° |
| C9 | C11 | C16 | 120.4° | 120.0° |
| O3 | C10 | N3 | 123.1° | 120.0° |
| C12 | C11 | C16 | 116.9° | 120.1° |
| C11 | C12 | C13 | 118.6° | 120.1° |
| C11 | C12 | H11 | 120.7° | 120.0° |
| C11 | C16 | C15 | 124.6° | 120.1° |
| C11 | C16 | H15 | 117.7° | 119.9° |
| C13 | C12 | H11 | 120.7° | 120.0° |
| C12 | C13 | O4 | 120.1° | 120.0° |
| C12 | C13 | C14 | 126.0° | 119.9° |
| O4 | C13 | C14 | 113.9° | 120.1° |
| C13 | O4 | H12 | 109.5° | 114.0° |
| C13 | C14 | C15 | 114.1° | 119.9° |
| C13 | C14 | H13 | 122.9° | 120.1° |
| C15 | C14 | H13 | 123.0° | 120.0° |
| C14 | C15 | O5 | 119.6° | 120.0° |
| C14 | C15 | C16 | 119.7° | 119.9° |
| O5 | C15 | C16 | 120.8° | 120.1° |
| C15 | O5 | H14 | 109.5° | 114.0° |
| C15 | C16 | H15 | 117.7° | 120.0° |
| C17 | N3 | H16 | 119.5° | 120.1° |
| N3 | C17 | C18 | 109.1° | 109.5° |
| N3 | C17 | C19 | 111.8° | 109.5° |
| N3 | C17 | H17 | 108.9° | 109.5° |
| C17 | N3 | C10 | 120.9° | 120.0° |
| H16 | N3 | C10 | 119.6° | 120.0° |
| C18 | C17 | C19 | 111.5° | 109.4° |
| C18 | C17 | H17 | 107.8° | 109.5° |
| C17 | C18 | O6 | 120.2° | 120.0° |
| C17 | C18 | N4 | 116.2° | 120.0° |
| C19 | C17 | H17 | 107.6° | 109.4° |
| C17 | C19 | C20 | 111.2° | 109.4° |
| C17 | C19 | C21 | 115.2° | 109.5° |
| C17 | C19 | H18 | 106.2° | 109.5° |
| O6 | C18 | N4 | 123.6° | 120.0° |
| C20 | C19 | C21 | 110.8° | 109.4° |
| C20 | C19 | H18 | 106.5° | 109.4° |
| C19 | C20 | H19 | 109.5° | 109.5° |
| C19 | C20 | H20 | 109.5° | 109.5° |
| C19 | C20 | H21 | 109.5° | 109.4° |
| C21 | C19 | H18 | 106.4° | 109.5° |
| C19 | C21 | H22 | 109.5° | 109.5° |
| C19 | C21 | H23 | 109.5° | 109.5° |
| C19 | C21 | H24 | 109.5° | 109.5° |
| H19 | C20 | H20 | 109.4° | 109.5° |
| H19 | C20 | H21 | 109.4° | 109.5° |
| H20 | C20 | H21 | 109.5° | 109.5° |
| H22 | C21 | H23 | 109.4° | 109.4° |
| H22 | C21 | H24 | 109.4° | 109.5° |
| H23 | C21 | H24 | 109.5° | 109.5° |
| C22 | N4 | H25 | 119.6° | 120.0° |
| N4 | C22 | C23 | 107.6° | 109.5° |
| N4 | C22 | C24 | 113.8° | 109.5° |
| N4 | C22 | H26 | 111.0° | 109.5° |
| C22 | N4 | C18 | 120.9° | 120.0° |
| H25 | N4 | C18 | 119.6° | 120.0° |
| C23 | C22 | C24 | 104.4° | 109.5° |
| C23 | C22 | H26 | 109.5° | 109.5° |
| C22 | C23 | O7 | 120.1° | 120.0° |
| C22 | C23 | N5 | 115.1° | 120.0° |
| C24 | C22 | H26 | 110.2° | 109.4° |
| C22 | C24 | C25 | 121.5° | 120.0° |
| C22 | C24 | C29 | 116.8° | 119.9° |
| O7 | C23 | N5 | 124.7° | 120.0° |
| C25 | C24 | C29 | 121.7° | 120.1° |
| C24 | C25 | C26 | 118.2° | 120.1° |
| C24 | C25 | H27 | 120.9° | 120.0° |
| C24 | C29 | C28 | 121.9° | 120.1° |
| C24 | C29 | H31 | 119.0° | 119.9° |
| C26 | C25 | H27 | 120.9° | 119.9° |
| C25 | C26 | O8 | 122.3° | 120.0° |
| C25 | C26 | C27 | 121.0° | 119.9° |
| O8 | C26 | C27 | 116.5° | 120.0° |
| C26 | O8 | H28 | 109.5° | 114.0° |
| C26 | C27 | C28 | 119.8° | 119.9° |
| C26 | C27 | H29 | 120.1° | 120.1° |
| C28 | C27 | H29 | 120.1° | 120.0° |
| C27 | C28 | O9 | 115.6° | 120.0° |
| C27 | C28 | C29 | 116.8° | 119.9° |
| O9 | C28 | C29 | 127.1° | 120.1° |
| C28 | O9 | H30 | 109.5° | 114.0° |
| C28 | C29 | H31 | 119.0° | 120.0° |
| C30 | N5 | H32 | 117.9° | 120.0° |
| N5 | C30 | C31 | 107.7° | 109.4° |
| N5 | C30 | C32 | 110.4° | 109.5° |
| N5 | C30 | H33 | 108.8° | 109.4° |
| C30 | N5 | C23 | 124.2° | 120.0° |
| H32 | N5 | C23 | 117.9° | 119.9° |
| C31 | C30 | C32 | 113.4° | 109.5° |
| C31 | C30 | H33 | 108.2° | 109.5° |
| C30 | C31 | O10 | 119.6° | 120.0° |
| C30 | C31 | N6 | 118.9° | 120.0° |
| C32 | C30 | H33 | 108.4° | 109.5° |
| C30 | C32 | C33 | 119.7° | 119.9° |
| C30 | C32 | C37 | 124.5° | 120.0° |
| O10 | C31 | N6 | 121.4° | 120.0° |
| C33 | C32 | C37 | 115.9° | 120.1° |
| C32 | C33 | C34 | 120.4° | 120.0° |
| C32 | C33 | H34 | 119.8° | 119.9° |
| C32 | C37 | C36 | 125.2° | 120.0° |
| C32 | C37 | H38 | 117.4° | 120.0° |
| C34 | C33 | H34 | 119.8° | 120.0° |
| C33 | C34 | C35 | 123.3° | 120.0° |
| C33 | C34 | H35 | 118.3° | 120.0° |
| C35 | C34 | H35 | 118.3° | 120.0° |
| C34 | C35 | O11 | 122.0° | 120.0° |
| C34 | C35 | C36 | 118.4° | 119.9° |
| O11 | C35 | C36 | 119.2° | 120.1° |
| C35 | O11 | H36 | 109.5° | 114.0° |
| C35 | C36 | C37 | 116.7° | 120.0° |
| C35 | C36 | H37 | 121.7° | 120.0° |
| C37 | C36 | H37 | 121.7° | 120.0° |
| C36 | C37 | H38 | 117.4° | 120.0° |
| C38 | N6 | H39 | 119.1° | 120.0° |
| N6 | C38 | C39 | 106.9° | 109.5° |
| N6 | C38 | C40 | 115.2° | 109.4° |
| N6 | C38 | H40 | 110.1° | 109.5° |
| C38 | N6 | C31 | 121.9° | 120.0° |
| H39 | N6 | C31 | 119.0° | 120.0° |
| C39 | C38 | C40 | 105.9° | 109.5° |
| C39 | C38 | H40 | 109.1° | 109.5° |
| C38 | C39 | O12 | 119.3° | 120.0° |
| C38 | C39 | N7 | 116.6° | 120.0° |
| C40 | C38 | H40 | 109.5° | 109.5° |
| C38 | C40 | C41 | 120.2° | 119.9° |
| C38 | C40 | C45 | 115.0° | 120.0° |
| O12 | C39 | N7 | 123.8° | 120.0° |
| C41 | C40 | C45 | 124.8° | 120.1° |
| C40 | C41 | C42 | 120.5° | 120.1° |
| C40 | C41 | H41 | 119.7° | 120.0° |
| C40 | C45 | C44 | 115.0° | 120.0° |
| C40 | C45 | H45 | 122.5° | 119.9° |
| C42 | C41 | H41 | 119.7° | 119.9° |
| C41 | C42 | O13 | 121.4° | 120.1° |
| C41 | C42 | C43 | 118.3° | 119.9° |
| O13 | C42 | C43 | 120.3° | 120.0° |
| C42 | O13 | H42 | 109.5° | 114.0° |
| C42 | C43 | C44 | 120.3° | 119.9° |
| C42 | C43 | H43 | 119.8° | 120.0° |
| C44 | C43 | H43 | 119.9° | 120.1° |
| C43 | C44 | O14 | 119.2° | 120.0° |
| C43 | C44 | C45 | 120.7° | 120.0° |
| O14 | C44 | C45 | 119.7° | 120.0° |
| C44 | O14 | H44 | 109.5° | 114.0° |
| C44 | C45 | H45 | 122.5° | 120.0° |
| C46 | N7 | H46 | 120.2° | 120.0° |
| N7 | C46 | C47 | 106.6° | 109.5° |
| N7 | C46 | C48 | 115.0° | 109.5° |
| N7 | C46 | H47 | 108.1° | 109.5° |
| C46 | N7 | C39 | 119.7° | 120.0° |
| H46 | N7 | C39 | 120.2° | 120.0° |
| C47 | C46 | C48 | 111.5° | 109.4° |
| C47 | C46 | H47 | 107.8° | 109.5° |
| C46 | C47 | O15 | 118.0° | 120.0° |
| C46 | C47 | N8 | 116.1° | 120.0° |
| C48 | C46 | H47 | 107.6° | 109.5° |
| C46 | C48 | C49 | 121.5° | 119.9° |
| C46 | C48 | C53 | 118.7° | 120.0° |
| O15 | C47 | N8 | 125.9° | 120.1° |
| C49 | C48 | C53 | 119.8° | 120.1° |
| C48 | C49 | C50 | 120.4° | 120.0° |
| C48 | C49 | H48 | 119.8° | 119.9° |
| C48 | C53 | C52 | 120.9° | 120.1° |
| C48 | C53 | H52 | 119.5° | 119.9° |
| C50 | C49 | H48 | 119.8° | 120.1° |
| C49 | C50 | C51 | 119.2° | 120.0° |
| C49 | C50 | H49 | 120.4° | 120.0° |
| C51 | C50 | H49 | 120.4° | 120.0° |
| C50 | C51 | O16 | 120.4° | 120.1° |
| C50 | C51 | C52 | 121.6° | 119.9° |
| O16 | C51 | C52 | 118.0° | 120.0° |
| C51 | O16 | H50 | 109.5° | 114.0° |
| C51 | C52 | C53 | 118.1° | 119.9° |
| C51 | C52 | H51 | 121.0° | 120.0° |
| C53 | C52 | H51 | 120.9° | 120.1° |
| C52 | C53 | H52 | 119.5° | 120.0° |
| C54 | N8 | H53 | 119.5° | 120.0° |
| N8 | C54 | C55 | 107.3° | 109.4° |
| N8 | C54 | C56 | 116.1° | 109.5° |
| N8 | C54 | H54 | 109.4° | 109.5° |
| C54 | N8 | C47 | 121.0° | 120.0° |
| H53 | N8 | C47 | 119.5° | 120.0° |
| C55 | C54 | C56 | 106.8° | 109.5° |
| C55 | C54 | H54 | 107.9° | 109.5° |
| C54 | C55 | O17 | 119.4° | 120.0° |
| C54 | C55 | N9 | 114.5° | 120.0° |
| C56 | C54 | H54 | 109.0° | 109.5° |
| C54 | C56 | C57 | 121.7° | 120.0° |
| C54 | C56 | C61 | 120.7° | 120.0° |
| O17 | C55 | N9 | 126.0° | 120.0° |
| C57 | C56 | C61 | 117.7° | 120.1° |
| C56 | C57 | C58 | 120.4° | 120.1° |
| C56 | C57 | H55 | 119.8° | 119.9° |
| C56 | C61 | C60 | 122.2° | 120.1° |
| C56 | C61 | H59 | 118.9° | 120.0° |
| C58 | C57 | H55 | 119.8° | 120.0° |
| C57 | C58 | O18 | 121.3° | 120.0° |
| C57 | C58 | C59 | 124.2° | 119.9° |
| O18 | C58 | C59 | 114.6° | 120.0° |
| C58 | O18 | H56 | 109.5° | 114.0° |
| C58 | C59 | C60 | 115.2° | 119.9° |
| C58 | C59 | H57 | 122.4° | 120.0° |
| C60 | C59 | H57 | 122.4° | 120.1° |
| C59 | C60 | O19 | 112.8° | 120.0° |
| C59 | C60 | C61 | 120.1° | 119.9° |
| O19 | C60 | C61 | 126.0° | 120.0° |
| C60 | O19 | H58 | 109.5° | 114.0° |
| C60 | C61 | H59 | 118.9° | 120.0° |
| C62 | N9 | H60 | 119.2° | 120.0° |
| N9 | C62 | C63 | 108.5° | 109.5° |
| N9 | C62 | C64 | 113.8° | 109.5° |
| N9 | C62 | H61 | 109.0° | 109.5° |
| C62 | N9 | C55 | 121.6° | 120.0° |
| H60 | N9 | C55 | 119.2° | 120.0° |
| C63 | C62 | C64 | 109.6° | 109.5° |
| C63 | C62 | H61 | 108.1° | 109.5° |
| C62 | C63 | O20 | 118.6° | 120.0° |
| C62 | C63 | N10 | 117.3° | 120.0° |
| C64 | C62 | H61 | 107.8° | 109.5° |
| C62 | C64 | C65 | 110.8° | 109.5° |
| C62 | C64 | C66 | 109.1° | 109.4° |
| C62 | C64 | H62 | 109.3° | 109.5° |
| O20 | C63 | N10 | 124.1° | 120.0° |
| C65 | C64 | C66 | 108.6° | 109.5° |
| C65 | C64 | H62 | 109.5° | 109.5° |
| C64 | C65 | H63 | 109.5° | 109.5° |
| C64 | C65 | H64 | 109.4° | 109.4° |
| C64 | C65 | H65 | 109.5° | 109.4° |
| C66 | C64 | H62 | 109.6° | 109.5° |
| C64 | C66 | H66 | 109.5° | 109.5° |
| C64 | C66 | H67 | 109.5° | 109.4° |
| C64 | C66 | H68 | 109.5° | 109.5° |
| H63 | C65 | H64 | 109.5° | 109.5° |
| H63 | C65 | H65 | 109.5° | 109.5° |
| H64 | C65 | H65 | 109.5° | 109.5° |
| H66 | C66 | H67 | 109.5° | 109.5° |
| H66 | C66 | H68 | 109.5° | 109.5° |
| H67 | C66 | H68 | 109.5° | 109.5° |
| C67 | N10 | H69 | 120.7° | 120.0° |
| N10 | C67 | C68 | 107.4° | 109.4° |
| N10 | C67 | C69 | 113.7° | 109.5° |
| N10 | C67 | H70 | 109.3° | 109.5° |
| C67 | N10 | C63 | 118.6° | 120.0° |
| H69 | N10 | C63 | 120.7° | 120.0° |
| C68 | C67 | C69 | 109.1° | 109.4° |
| C68 | C67 | H70 | 108.3° | 109.4° |
| C67 | C68 | O21 | 117.0° | 120.0° |
| C67 | C68 | N11 | 118.5° | 120.0° |
| C69 | C67 | H70 | 108.9° | 109.6° |
| C67 | C69 | C70 | 121.0° | 119.9° |
| C67 | C69 | C74 | 116.7° | 120.0° |
| O21 | C68 | N11 | 124.4° | 120.0° |
| C70 | C69 | C74 | 122.3° | 120.1° |
| C69 | C70 | C71 | 117.0° | 120.1° |
| C69 | C70 | H71 | 121.5° | 120.0° |
| C69 | C74 | C73 | 123.1° | 120.0° |
| C69 | C74 | H75 | 118.4° | 120.0° |
| C71 | C70 | H71 | 121.5° | 119.9° |
| C70 | C71 | O22 | 116.0° | 120.1° |
| C70 | C71 | C72 | 121.5° | 119.9° |
| O22 | C71 | C72 | 122.5° | 120.0° |
| C71 | O22 | H72 | 109.5° | 114.0° |
| C71 | C72 | C73 | 120.6° | 119.9° |
| C71 | C72 | H73 | 119.7° | 120.1° |
| C73 | C72 | H73 | 119.7° | 120.0° |
| C72 | C73 | O23 | 118.3° | 120.0° |
| C72 | C73 | C74 | 115.3° | 120.0° |
| O23 | C73 | C74 | 126.4° | 120.0° |
| C73 | O23 | H74 | 109.5° | 114.0° |
| C73 | C74 | H75 | 118.4° | 120.0° |
| C75 | N11 | H76 | 118.2° | 120.0° |
| N11 | C75 | C76 | 107.2° | 109.5° |
| N11 | C75 | C77 | 110.8° | 109.4° |
| N11 | C75 | H77 | 109.0° | 109.5° |
| C75 | N11 | C68 | 123.6° | 120.0° |
| H76 | N11 | C68 | 118.2° | 120.0° |
| C76 | C75 | C77 | 112.0° | 109.5° |
| C76 | C75 | H77 | 108.8° | 109.5° |
| C75 | C76 | O24 | 119.1° | 120.0° |
| C75 | C76 | N12 | 117.5° | 120.0° |
| C77 | C75 | H77 | 108.9° | 109.4° |
| C75 | C77 | C78 | 121.1° | 119.9° |
| C75 | C77 | C82 | 120.4° | 119.9° |
| O24 | C76 | N12 | 123.3° | 120.0° |
| C78 | C77 | C82 | 118.5° | 120.1° |
| C77 | C78 | C79 | 124.0° | 120.1° |
| C77 | C78 | H78 | 118.0° | 120.0° |
| C77 | C82 | C81 | 118.5° | 120.0° |
| C77 | C82 | H82 | 120.8° | 120.0° |
| C79 | C78 | H78 | 118.0° | 119.9° |
| C78 | C79 | C80 | 118.5° | 119.9° |
| C78 | C79 | H79 | 120.7° | 120.1° |
| C80 | C79 | H79 | 120.7° | 120.0° |
| C79 | C80 | O25 | 121.2° | 120.0° |
| C79 | C80 | C81 | 118.0° | 119.9° |
| O25 | C80 | C81 | 120.3° | 120.0° |
| C80 | O25 | H80 | 109.5° | 114.0° |
| C80 | C81 | C82 | 121.8° | 119.9° |
| C80 | C81 | H81 | 119.1° | 120.1° |
| C82 | C81 | H81 | 119.1° | 120.0° |
| C81 | C82 | H82 | 120.8° | 120.0° |
| C83 | N12 | H83 | 121.0° | 120.1° |
| N12 | C83 | C84 | 109.9° | 109.4° |
| N12 | C83 | C85 | 109.1° | 109.5° |
| N12 | C83 | H84 | 109.4° | 109.5° |
| C83 | N12 | C76 | 118.1° | 120.0° |
| H83 | N12 | C76 | 120.9° | 120.0° |
| C84 | C83 | C85 | 110.9° | 109.5° |
| C84 | C83 | H84 | 108.9° | 109.4° |
| C83 | C84 | O26 | 120.2° | 120.0° |
| C83 | C84 | N13 | 118.5° | 120.0° |
| C85 | C83 | H84 | 108.6° | 109.5° |
| C83 | C85 | C86 | 113.8° | 109.5° |
| C83 | C85 | H85 | 108.4° | 109.4° |
| C83 | C85 | H86 | 108.4° | 109.5° |
| O26 | C84 | N13 | 121.3° | 120.0° |
| C86 | C85 | H85 | 108.4° | 109.5° |
| C86 | C85 | H86 | 108.4° | 109.5° |
| C85 | C86 | C87 | 123.8° | 120.0° |
| C85 | C86 | C88 | 119.5° | 120.0° |
| H85 | C85 | H86 | 109.5° | 109.5° |
| C87 | C86 | C88 | 116.6° | 120.0° |
| C86 | C87 | C89 | 126.3° | 120.0° |
| C86 | C87 | H87 | 116.9° | 120.0° |
| C86 | C88 | C90 | 120.6° | 120.0° |
| C86 | C88 | H88 | 119.7° | 120.0° |
| C89 | C87 | H87 | 116.9° | 120.0° |
| C87 | C89 | C91 | 113.7° | 120.0° |
| C87 | C89 | H89 | 123.2° | 120.0° |
| C90 | C88 | H88 | 119.7° | 120.0° |
| C88 | C90 | C91 | 119.3° | 120.0° |
| C88 | C90 | H90 | 120.4° | 120.1° |
| C91 | C89 | H89 | 123.2° | 120.0° |
| C89 | C91 | C90 | 123.3° | 120.0° |
| C89 | C91 | H91 | 118.3° | 120.0° |
| C91 | C90 | H90 | 120.3° | 120.0° |
| C90 | C91 | H91 | 118.3° | 120.0° |
| C92 | N13 | H92 | 119.8° | 120.0° |
| N13 | C92 | C93 | 107.7° | 109.5° |
| N13 | C92 | C94 | 116.4° | 109.5° |
| N13 | C92 | H93 | 109.6° | 109.5° |
| C92 | N13 | C84 | 120.3° | 120.0° |
| H92 | N13 | C84 | 119.9° | 120.0° |
| C93 | C92 | C94 | 106.0° | 109.5° |
| C93 | C92 | H93 | 108.3° | 109.5° |
| C92 | C93 | O27 | 113.8° | 120.0° |
| C92 | C93 | O30 | 116.5° | 120.0° |
| C94 | C92 | H93 | 108.5° | 109.5° |
| C92 | C94 | C95 | 112.1° | 109.5° |
| C92 | C94 | H94 | 108.8° | 109.4° |
| C92 | C94 | H95 | 108.8° | 109.4° |
| O27 | C93 | O30 | 129.7° | 120.0° |
| C93 | O30 | H97 | 109.5° | 117.0° |
| C95 | C94 | H94 | 108.8° | 109.5° |
| C95 | C94 | H95 | 108.8° | 109.5° |
| C94 | C95 | O28 | 119.0° | 120.0° |
| C94 | C95 | O29 | 118.6° | 120.0° |
| H94 | C94 | H95 | 109.5° | 109.5° |
| O28 | C95 | O29 | 122.3° | 120.0° |
| C95 | O29 | H96 | 109.5° | 117.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | N1 | H1 | H2 | 120.0° | 124.0° |
| N1 | C1 | C2 | C3 | 124.5° | 120.1° |
| N1 | C1 | C2 | H3 | 117.2° | 120.0° |
| N1 | C1 | C3 | H3 | 118.8° | 120.0° |
| N1 | C1 | C2 | O1 | 15.1° | 20.0° |
| N1 | C1 | C3 | C4 | 111.6° | 140.0° |
| N1 | C1 | C3 | C8 | 67.9° | 40.3° |
| N1 | C1 | C2 | N2 | 162.5° | 160.0° |
| H1 | N1 | C1 | C2 | 180.0° | 60.1° |
| H1 | N1 | C1 | C3 | 55.7° | 60.0° |
| H1 | N1 | C1 | H3 | 63.0° | 180.0° |
| H2 | N1 | C1 | C2 | 60.0° | 63.9° |
| H2 | N1 | C1 | C3 | 64.3° | 176.0° |
| H2 | N1 | C1 | H3 | 177.0° | 56.0° |
| C2 | C1 | C3 | H3 | 118.3° | 119.9° |
| C1 | C2 | O1 | N2 | 177.6° | 179.9° |
| C2 | C1 | C3 | C4 | 125.6° | 99.9° |
| C2 | C1 | C3 | C8 | 54.9° | 79.7° |
| C1 | C2 | N2 | C9 | 169.7° | 180.0° |
| C1 | C2 | N2 | H9 | 10.2° | 0.1° |
| C3 | C1 | C2 | O1 | 109.4° | 100.0° |
| C1 | C3 | C4 | C8 | 179.4° | 179.7° |
| C1 | C3 | C4 | C5 | 178.9° | 179.9° |
| C1 | C3 | C4 | H4 | 1.0° | 0.0° |
| C1 | C3 | C8 | C7 | 179.0° | 179.7° |
| C1 | C3 | C8 | H8 | 1.1° | 0.1° |
| C3 | C1 | C2 | N2 | 73.0° | 79.9° |
| H3 | C1 | C2 | O1 | 132.3° | 140.0° |
| H3 | C1 | C3 | C4 | 7.3° | 20.0° |
| H3 | C1 | C3 | C8 | 173.3° | 160.3° |
| H3 | C1 | C2 | N2 | 45.4° | 40.1° |
| O1 | C2 | N2 | C9 | 7.9° | 0.1° |
| O1 | C2 | N2 | H9 | 172.1° | 179.9° |
| C3 | C4 | C5 | H4 | 180.0° | 179.9° |
| C3 | C4 | C5 | C6 | 3.5° | 0.1° |
| C3 | C4 | C5 | H5 | 176.5° | 179.9° |
| C4 | C3 | C8 | C7 | 1.6° | 0.6° |
| C4 | C3 | C8 | H8 | 178.4° | 179.7° |
| C8 | C3 | C4 | C5 | 1.6° | 0.4° |
| C8 | C3 | C4 | H4 | 178.4° | 179.7° |
| C3 | C8 | C7 | C6 | 3.0° | 0.6° |
| C3 | C8 | C7 | H8 | 180.0° | 179.6° |
| C3 | C8 | C7 | H7 | 177.0° | 179.7° |
| C4 | C5 | C6 | H5 | 180.0° | 179.9° |
| C4 | C5 | C6 | O2 | 179.5° | 180.0° |
| C4 | C5 | C6 | C7 | 5.8° | 0.1° |
| H4 | C4 | C5 | C6 | 176.6° | 180.0° |
| H4 | C4 | C5 | H5 | 3.4° | 0.0° |
| C5 | C6 | O2 | C7 | 175.3° | 180.0° |
| C5 | C6 | O2 | H6 | 180.0° | 90.0° |
| C5 | C6 | C7 | C8 | 5.2° | 0.3° |
| C5 | C6 | C7 | H7 | 174.8° | 180.0° |
| H5 | C5 | C6 | O2 | 0.5° | 0.0° |
| H5 | C5 | C6 | C7 | 174.2° | 180.0° |
| O2 | C6 | C7 | C8 | 179.9° | 179.7° |
| O2 | C6 | C7 | H7 | 0.1° | 0.0° |
| C7 | C6 | O2 | H6 | 4.7° | 90.0° |
| C6 | C7 | C8 | H7 | 180.0° | 179.7° |
| C6 | C7 | C8 | H8 | 177.0° | 179.8° |
| H7 | C7 | C8 | H8 | 3.0° | 0.1° |
| C9 | N2 | H9 | C2 | 180.0° | 179.9° |
| N2 | C9 | C10 | C11 | 121.5° | 120.0° |
| N2 | C9 | C10 | H10 | 120.3° | 120.0° |
| N2 | C9 | C11 | H10 | 121.4° | 120.0° |
| N2 | C9 | C10 | O3 | 32.5° | 0.0° |
| N2 | C9 | C11 | C12 | 27.7° | 140.0° |
| N2 | C9 | C11 | C16 | 149.9° | 40.3° |
| N2 | C9 | C10 | N3 | 151.6° | 180.0° |
| H9 | N2 | C9 | C10 | 21.6° | 25.1° |
| H9 | N2 | C9 | C11 | 97.3° | 94.9° |
| H9 | N2 | C9 | H10 | 141.4° | 145.1° |
| C10 | C9 | C11 | H10 | 117.7° | 120.0° |
| C9 | C10 | O3 | N3 | 175.7° | 180.0° |
| C10 | C9 | C11 | C12 | 93.1° | 100.0° |
| C10 | C9 | C11 | C16 | 89.3° | 79.7° |
| C9 | C10 | N3 | C17 | 161.3° | 180.0° |
| C9 | C10 | N3 | H16 | 18.7° | 0.0° |
| C10 | C9 | N2 | C2 | 158.4° | 155.0° |
| C11 | C9 | C10 | O3 | 89.0° | 120.0° |
| C9 | C11 | C12 | C16 | 177.7° | 179.7° |
| C9 | C11 | C12 | C13 | 178.4° | 180.0° |
| C9 | C11 | C12 | H11 | 1.6° | 0.1° |
| C9 | C11 | C16 | C15 | 177.8° | 179.7° |
| C9 | C11 | C16 | H15 | 2.2° | 0.0° |
| C11 | C9 | N2 | C2 | 82.6° | 84.9° |
| C11 | C9 | C10 | N3 | 86.9° | 60.0° |
| H10 | C9 | C10 | O3 | 152.8° | 120.0° |
| H10 | C9 | C11 | C12 | 149.1° | 20.0° |
| H10 | C9 | C11 | C16 | 28.4° | 160.3° |
| H10 | C9 | N2 | C2 | 38.6° | 35.1° |
| H10 | C9 | C10 | N3 | 31.2° | 60.0° |
| O3 | C10 | N3 | C17 | 14.6° | 0.0° |
| O3 | C10 | N3 | H16 | 165.4° | 180.0° |
| C11 | C12 | C13 | H11 | 180.0° | 179.9° |
| C11 | C12 | C13 | O4 | 178.4° | 180.0° |
| C11 | C12 | C13 | C14 | 0.8° | 0.1° |
| C12 | C11 | C16 | C15 | 4.5° | 0.5° |
| C12 | C11 | C16 | H15 | 175.6° | 179.7° |
| C16 | C11 | C12 | C13 | 4.0° | 0.3° |
| C16 | C11 | C12 | H11 | 176.0° | 179.8° |
| C11 | C16 | C15 | C14 | 1.5° | 0.5° |
| C11 | C16 | C15 | O5 | 176.6° | 179.8° |
| C11 | C16 | C15 | H15 | 180.0° | 179.7° |
| C12 | C13 | O4 | C14 | 177.9° | 179.9° |
| C12 | C13 | O4 | H12 | 180.0° | 90.0° |
| C12 | C13 | C14 | C15 | 2.1° | 0.1° |
| C12 | C13 | C14 | H13 | 177.8° | 180.0° |
| H11 | C12 | C13 | O4 | 1.6° | 0.1° |
| H11 | C12 | C13 | C14 | 179.2° | 180.0° |
| O4 | C13 | C14 | C15 | 175.6° | 180.0° |
| O4 | C13 | C14 | H13 | 4.4° | 0.1° |
| C14 | C13 | O4 | H12 | 2.1° | 90.0° |
| C13 | C14 | C15 | H13 | 180.0° | 179.9° |
| C13 | C14 | C15 | O5 | 179.9° | 180.0° |
| C13 | C14 | C15 | C16 | 1.8° | 0.3° |
| C14 | C15 | O5 | C16 | 178.1° | 179.7° |
| C14 | C15 | O5 | H14 | 180.0° | 90.0° |
| C14 | C15 | C16 | H15 | 178.5° | 179.7° |
| H13 | C14 | C15 | O5 | 0.0° | 0.1° |
| H13 | C14 | C15 | C16 | 178.2° | 179.8° |
| O5 | C15 | C16 | H15 | 3.3° | 0.0° |
| C16 | C15 | O5 | H14 | 1.9° | 89.7° |
| C17 | N3 | H16 | C10 | 180.0° | 180.0° |
| N3 | C17 | C18 | C19 | 124.0° | 120.0° |
| N3 | C17 | C18 | H17 | 118.1° | 120.0° |
| N3 | C17 | C19 | H17 | 119.5° | 120.0° |
| N3 | C17 | C18 | O6 | 50.4° | 18.6° |
| N3 | C17 | C19 | C20 | 164.2° | 64.4° |
| N3 | C17 | C19 | C21 | 68.7° | 55.5° |
| N3 | C17 | C19 | H18 | 48.7° | 175.6° |
| N3 | C17 | C18 | N4 | 130.0° | 161.4° |
| H16 | N3 | C17 | C18 | 56.2° | 25.0° |
| H16 | N3 | C17 | C19 | 67.6° | 95.0° |
| H16 | N3 | C17 | H17 | 173.6° | 145.1° |
| C18 | C17 | C19 | H17 | 118.0° | 120.0° |
| C17 | C18 | O6 | N4 | 179.5° | 180.0° |
| C18 | C17 | C19 | C20 | 41.8° | 175.6° |
| C18 | C17 | C19 | C21 | 168.8° | 64.5° |
| C18 | C17 | C19 | H18 | 73.7° | 55.6° |
| C17 | C18 | N4 | C22 | 178.7° | 174.9° |
| C17 | C18 | N4 | H25 | 1.3° | 5.1° |
| C18 | C17 | N3 | C10 | 123.8° | 155.0° |
| C19 | C17 | C18 | O6 | 73.6° | 101.4° |
| C17 | C19 | C20 | C21 | 129.4° | 120.0° |
| C17 | C19 | C20 | H18 | 115.3° | 120.0° |
| C17 | C19 | C21 | H18 | 117.4° | 120.1° |
| C17 | C19 | C20 | H19 | 180.0° | 66.8° |
| C17 | C19 | C20 | H20 | 60.0° | 173.2° |
| C17 | C19 | C20 | H21 | 60.0° | 53.2° |
| C17 | C19 | C21 | H22 | 180.0° | 60.1° |
| C17 | C19 | C21 | H23 | 60.0° | 180.0° |
| C17 | C19 | C21 | H24 | 60.0° | 60.0° |
| C19 | C17 | N3 | C10 | 112.4° | 85.0° |
| C19 | C17 | C18 | N4 | 106.0° | 78.6° |
| H17 | C17 | C18 | O6 | 168.6° | 138.7° |
| H17 | C17 | C19 | C20 | 76.2° | 55.6° |
| H17 | C17 | C19 | C21 | 50.8° | 175.6° |
| H17 | C17 | C19 | H18 | 168.3° | 64.4° |
| H17 | C17 | N3 | C10 | 6.4° | 35.0° |
| H17 | C17 | C18 | N4 | 11.9° | 41.3° |
| O6 | C18 | N4 | C22 | 1.8° | 5.1° |
| O6 | C18 | N4 | H25 | 178.2° | 174.9° |
| C20 | C19 | C21 | H18 | 115.4° | 120.0° |
| C19 | C20 | H19 | H20 | 120.0° | 120.0° |
| C19 | C20 | H19 | H21 | 120.0° | 120.0° |
| C19 | C20 | H20 | H21 | 120.0° | 120.0° |
| C20 | C19 | C21 | H22 | 52.8° | 180.0° |
| C20 | C19 | C21 | H23 | 67.2° | 60.1° |
| C20 | C19 | C21 | H24 | 172.7° | 60.0° |
| C21 | C19 | C20 | H19 | 50.6° | 53.1° |
| C21 | C19 | C20 | H20 | 170.6° | 66.9° |
| C21 | C19 | C20 | H21 | 69.4° | 173.2° |
| C19 | C21 | H22 | H23 | 120.0° | 120.0° |
| C19 | C21 | H22 | H24 | 120.0° | 120.0° |
| C19 | C21 | H23 | H24 | 120.0° | 120.0° |
| H18 | C19 | C20 | H19 | 64.7° | 173.2° |
| H18 | C19 | C20 | H20 | 55.3° | 53.2° |
| H18 | C19 | C20 | H21 | 175.3° | 66.8° |
| H18 | C19 | C21 | H22 | 62.7° | 60.0° |
| H18 | C19 | C21 | H23 | 177.4° | 59.9° |
| H18 | C19 | C21 | H24 | 57.3° | 180.0° |
| H19 | C20 | H20 | H21 | 120.0° | 120.0° |
| H22 | C21 | H23 | H24 | 120.0° | 120.0° |
| C22 | N4 | H25 | C18 | 180.0° | 180.0° |
| N4 | C22 | C23 | C24 | 121.3° | 120.0° |
| N4 | C22 | C23 | H26 | 120.7° | 120.0° |
| N4 | C22 | C24 | H26 | 125.5° | 120.0° |
| N4 | C22 | C23 | O7 | 38.4° | 0.0° |
| N4 | C22 | C24 | C25 | 31.4° | 140.0° |
| N4 | C22 | C24 | C29 | 148.8° | 40.3° |
| N4 | C22 | C23 | N5 | 146.5° | 180.0° |
| H25 | N4 | C22 | C23 | 25.2° | 25.0° |
| H25 | N4 | C22 | C24 | 90.0° | 95.0° |
| H25 | N4 | C22 | H26 | 145.0° | 145.0° |
| C23 | C22 | C24 | H26 | 117.5° | 120.0° |
| C22 | C23 | O7 | N5 | 174.6° | 180.0° |
| C23 | C22 | C24 | C25 | 85.6° | 100.0° |
| C23 | C22 | C24 | C29 | 94.2° | 79.7° |
| C22 | C23 | N5 | C30 | 170.8° | 180.0° |
| C22 | C23 | N5 | H32 | 9.2° | 0.0° |
| C23 | C22 | N4 | C18 | 154.8° | 155.0° |
| C24 | C22 | C23 | O7 | 82.9° | 120.0° |
| C22 | C24 | C25 | C29 | 179.8° | 179.7° |
| C22 | C24 | C25 | C26 | 179.9° | 180.0° |
| C22 | C24 | C25 | H27 | 0.2° | 0.0° |
| C22 | C24 | C29 | C28 | 178.5° | 179.8° |
| C22 | C24 | C29 | H31 | 1.5° | 0.0° |
| C24 | C22 | N4 | C18 | 90.0° | 85.0° |
| C24 | C22 | C23 | N5 | 92.2° | 60.0° |
| H26 | C22 | C23 | O7 | 159.2° | 120.0° |
| H26 | C22 | C24 | C25 | 156.9° | 20.0° |
| H26 | C22 | C24 | C29 | 23.3° | 160.3° |
| H26 | C22 | N4 | C18 | 35.0° | 35.0° |
| H26 | C22 | C23 | N5 | 25.7° | 60.0° |
| O7 | C23 | N5 | C30 | 4.1° | 0.0° |
| O7 | C23 | N5 | H32 | 175.9° | 180.0° |
| C24 | C25 | C26 | H27 | 180.0° | 180.0° |
| C24 | C25 | C26 | O8 | 177.8° | 180.0° |
| C24 | C25 | C26 | C27 | 3.0° | 0.0° |
| C25 | C24 | C29 | C28 | 1.7° | 0.5° |
| C25 | C24 | C29 | H31 | 178.3° | 179.7° |
| C29 | C24 | C25 | C26 | 0.1° | 0.3° |
| C29 | C24 | C25 | H27 | 179.9° | 179.7° |
| C24 | C29 | C28 | C27 | 6.0° | 0.4° |
| C24 | C29 | C28 | O9 | 178.5° | 179.8° |
| C24 | C29 | C28 | H31 | 180.0° | 179.8° |
| C25 | C26 | O8 | C27 | 175.0° | 179.9° |
| C25 | C26 | O8 | H28 | 180.0° | 90.0° |
| C25 | C26 | C27 | C28 | 7.5° | 0.0° |
| C25 | C26 | C27 | H29 | 172.6° | 180.0° |
| H27 | C25 | C26 | O8 | 2.3° | 0.0° |
| H27 | C25 | C26 | C27 | 177.0° | 180.0° |
| O8 | C26 | C27 | C28 | 177.5° | 179.9° |
| O8 | C26 | C27 | H29 | 2.5° | 0.1° |
| C27 | C26 | O8 | H28 | 5.0° | 89.9° |
| C26 | C27 | C28 | H29 | 180.0° | 180.0° |
| C26 | C27 | C28 | O9 | 177.9° | 180.0° |
| C26 | C27 | C28 | C29 | 8.7° | 0.2° |
| C27 | C28 | O9 | C29 | 172.6° | 179.8° |
| C27 | C28 | O9 | H30 | 180.0° | 90.1° |
| C27 | C28 | C29 | H31 | 174.1° | 179.8° |
| H29 | C27 | C28 | O9 | 2.1° | 0.0° |
| H29 | C27 | C28 | C29 | 171.3° | 179.8° |
| O9 | C28 | C29 | H31 | 1.5° | 0.1° |
| C29 | C28 | O9 | H30 | 7.4° | 89.8° |
| C30 | N5 | H32 | C23 | 180.0° | 179.9° |
| N5 | C30 | C31 | C32 | 122.4° | 120.0° |
| N5 | C30 | C31 | H33 | 117.4° | 120.0° |
| N5 | C30 | C32 | H33 | 119.0° | 120.0° |
| N5 | C30 | C31 | O10 | 54.6° | 0.1° |
| N5 | C30 | C32 | C33 | 164.4° | 140.0° |
| N5 | C30 | C32 | C37 | 17.0° | 39.8° |
| N5 | C30 | C31 | N6 | 125.4° | 180.0° |
| H32 | N5 | C30 | C31 | 60.2° | 25.1° |
| H32 | N5 | C30 | C32 | 64.1° | 95.0° |
| H32 | N5 | C30 | H33 | 177.2° | 145.1° |
| C31 | C30 | C32 | H33 | 120.1° | 120.0° |
| C30 | C31 | O10 | N6 | 180.0° | 179.9° |
| C31 | C30 | C32 | C33 | 74.7° | 100.0° |
| C31 | C30 | C32 | C37 | 103.8° | 80.2° |
| C30 | C31 | N6 | C38 | 179.5° | 180.0° |
| C30 | C31 | N6 | H39 | 0.5° | 0.1° |
| C31 | C30 | N5 | C23 | 119.9° | 155.0° |
| C32 | C30 | C31 | O10 | 67.8° | 119.9° |
| C30 | C32 | C33 | C37 | 178.7° | 179.8° |
| C30 | C32 | C33 | C34 | 178.9° | 180.0° |
| C30 | C32 | C33 | H34 | 1.1° | 0.1° |
| C30 | C32 | C37 | C36 | 179.1° | 179.7° |
| C30 | C32 | C37 | H38 | 0.9° | 0.1° |
| C32 | C30 | N5 | C23 | 115.9° | 85.0° |
| C32 | C30 | C31 | N6 | 112.3° | 60.0° |
| H33 | C30 | C31 | O10 | 172.0° | 120.0° |
| H33 | C30 | C32 | C33 | 45.4° | 20.1° |
| H33 | C30 | C32 | C37 | 136.0° | 159.7° |
| H33 | C30 | N5 | C23 | 2.9° | 35.0° |
| H33 | C30 | C31 | N6 | 8.0° | 60.1° |
| O10 | C31 | N6 | C38 | 0.4° | 0.1° |
| O10 | C31 | N6 | H39 | 179.6° | 180.0° |
| C32 | C33 | C34 | H34 | 180.0° | 180.0° |
| C32 | C33 | C34 | C35 | 0.0° | 0.0° |
| C32 | C33 | C34 | H35 | 180.0° | 180.0° |
| C33 | C32 | C37 | C36 | 2.3° | 0.5° |
| C33 | C32 | C37 | H38 | 177.7° | 179.7° |
| C37 | C32 | C33 | C34 | 0.2° | 0.2° |
| C37 | C32 | C33 | H34 | 179.8° | 179.7° |
| C32 | C37 | C36 | C35 | 3.8° | 0.5° |
| C32 | C37 | C36 | H38 | 180.0° | 179.8° |
| C32 | C37 | C36 | H37 | 176.2° | 179.8° |
| C33 | C34 | C35 | H35 | 180.0° | 180.0° |
| C33 | C34 | C35 | O11 | 174.9° | 180.0° |
| C33 | C34 | C35 | C36 | 1.7° | 0.0° |
| H34 | C33 | C34 | C35 | 180.0° | 179.9° |
| H34 | C33 | C34 | H35 | 0.0° | 0.0° |
| C34 | C35 | O11 | C36 | 173.2° | 180.0° |
| C34 | C35 | O11 | H36 | 180.0° | 90.0° |
| C34 | C35 | C36 | C37 | 3.3° | 0.3° |
| C34 | C35 | C36 | H37 | 176.7° | 180.0° |
| H35 | C34 | C35 | O11 | 5.1° | 0.0° |
| H35 | C34 | C35 | C36 | 178.4° | 180.0° |
| O11 | C35 | C36 | C37 | 176.8° | 179.7° |
| O11 | C35 | C36 | H37 | 3.2° | 0.0° |
| C36 | C35 | O11 | H36 | 6.8° | 90.0° |
| C35 | C36 | C37 | H37 | 180.0° | 179.7° |
| C35 | C36 | C37 | H38 | 176.2° | 179.7° |
| H37 | C36 | C37 | H38 | 3.8° | 0.0° |
| C38 | N6 | H39 | C31 | 180.0° | 179.9° |
| N6 | C38 | C39 | C40 | 123.2° | 120.0° |
| N6 | C38 | C39 | H40 | 119.0° | 120.0° |
| N6 | C38 | C40 | H40 | 124.7° | 120.0° |
| N6 | C38 | C39 | O12 | 35.9° | 0.0° |
| N6 | C38 | C40 | C41 | 40.8° | 140.0° |
| N6 | C38 | C40 | C45 | 139.8° | 40.3° |
| N6 | C38 | C39 | N7 | 150.1° | 180.0° |
| H39 | N6 | C38 | C39 | 10.6° | 24.9° |
| H39 | N6 | C38 | C40 | 106.7° | 95.1° |
| H39 | N6 | C38 | H40 | 128.9° | 145.0° |
| C39 | C38 | C40 | H40 | 117.5° | 120.0° |
| C38 | C39 | O12 | N7 | 173.5° | 180.0° |
| C39 | C38 | C40 | C41 | 77.0° | 100.1° |
| C39 | C38 | C40 | C45 | 102.4° | 79.7° |
| C38 | C39 | N7 | C46 | 159.9° | 180.0° |
| C38 | C39 | N7 | H46 | 20.0° | 0.1° |
| C39 | C38 | N6 | C31 | 169.5° | 155.0° |
| C40 | C38 | C39 | O12 | 87.4° | 120.0° |
| C38 | C40 | C41 | C45 | 179.3° | 179.8° |
| C38 | C40 | C41 | C42 | 179.9° | 180.0° |
| C38 | C40 | C41 | H41 | 0.1° | 0.0° |
| C38 | C40 | C45 | C44 | 178.0° | 179.8° |
| C38 | C40 | C45 | H45 | 2.0° | 0.0° |
| C40 | C38 | N6 | C31 | 73.3° | 85.1° |
| C40 | C38 | C39 | N7 | 86.6° | 60.0° |
| H40 | C38 | C39 | O12 | 154.9° | 120.0° |
| H40 | C38 | C40 | C41 | 165.5° | 20.0° |
| H40 | C38 | C40 | C45 | 15.1° | 160.2° |
| H40 | C38 | N6 | C31 | 51.1° | 34.9° |
| H40 | C38 | C39 | N7 | 31.1° | 60.0° |
| O12 | C39 | N7 | C46 | 13.8° | 0.0° |
| O12 | C39 | N7 | H46 | 166.3° | 180.0° |
| C40 | C41 | C42 | H41 | 180.0° | 179.9° |
| C40 | C41 | C42 | O13 | 178.8° | 180.0° |
| C40 | C41 | C42 | C43 | 1.0° | 0.1° |
| C41 | C40 | C45 | C44 | 2.7° | 0.5° |
| C41 | C40 | C45 | H45 | 177.3° | 179.7° |
| C45 | C40 | C41 | C42 | 0.6° | 0.2° |
| C45 | C40 | C41 | H41 | 179.4° | 179.7° |
| C40 | C45 | C44 | C43 | 5.1° | 0.5° |
| C40 | C45 | C44 | O14 | 178.7° | 179.8° |
| C40 | C45 | C44 | H45 | 180.0° | 179.8° |
| C41 | C42 | O13 | C43 | 179.8° | 180.0° |
| C41 | C42 | O13 | H42 | 180.0° | 90.0° |
| C41 | C42 | C43 | C44 | 3.6° | 0.0° |
| C41 | C42 | C43 | H43 | 176.4° | 180.0° |
| H41 | C41 | C42 | O13 | 1.2° | 0.0° |
| H41 | C41 | C42 | C43 | 179.0° | 180.0° |
| O13 | C42 | C43 | C44 | 176.3° | 180.0° |
| O13 | C42 | C43 | H43 | 3.7° | 0.0° |
| C43 | C42 | O13 | H42 | 0.2° | 90.1° |
| C42 | C43 | C44 | H43 | 180.0° | 180.0° |
| C42 | C43 | C44 | O14 | 179.5° | 179.9° |
| C42 | C43 | C44 | C45 | 5.9° | 0.2° |
| C43 | C44 | O14 | C45 | 173.7° | 179.7° |
| C43 | C44 | O14 | H44 | 180.0° | 90.0° |
| C43 | C44 | C45 | H45 | 174.9° | 179.7° |
| H43 | C43 | C44 | O14 | 0.5° | 0.1° |
| H43 | C43 | C44 | C45 | 174.1° | 179.8° |
| O14 | C44 | C45 | H45 | 1.3° | 0.0° |
| C45 | C44 | O14 | H44 | 6.3° | 89.7° |
| C46 | N7 | H46 | C39 | 180.0° | 180.0° |
| N7 | C46 | C47 | C48 | 126.3° | 120.0° |
| N7 | C46 | C47 | H47 | 115.8° | 120.0° |
| N7 | C46 | C48 | H47 | 120.5° | 120.0° |
| N7 | C46 | C47 | O15 | 46.3° | 0.0° |
| N7 | C46 | C48 | C49 | 160.1° | 140.0° |
| N7 | C46 | C48 | C53 | 20.8° | 39.7° |
| N7 | C46 | C47 | N8 | 135.6° | 180.0° |
| H46 | N7 | C46 | C47 | 34.8° | 25.0° |
| H46 | N7 | C46 | C48 | 89.4° | 95.0° |
| H46 | N7 | C46 | H47 | 150.4° | 145.0° |
| C47 | C46 | C48 | H47 | 118.0° | 120.0° |
| C46 | C47 | O15 | N8 | 177.9° | 180.0° |
| C47 | C46 | C48 | C49 | 78.4° | 100.0° |
| C47 | C46 | C48 | C53 | 100.8° | 80.3° |
| C46 | C47 | N8 | C54 | 176.7° | 180.0° |
| C46 | C47 | N8 | H53 | 3.3° | 0.1° |
| C47 | C46 | N7 | C39 | 145.2° | 155.0° |
| C48 | C46 | C47 | O15 | 80.0° | 120.0° |
| C46 | C48 | C49 | C53 | 179.1° | 179.7° |
| C46 | C48 | C49 | C50 | 179.0° | 180.0° |
| C46 | C48 | C49 | H48 | 1.0° | 0.0° |
| C46 | C48 | C53 | C52 | 179.7° | 179.7° |
| C46 | C48 | C53 | H52 | 0.3° | 0.1° |
| C48 | C46 | N7 | C39 | 90.6° | 85.0° |
| C48 | C46 | C47 | N8 | 98.1° | 60.0° |
| H47 | C46 | C47 | O15 | 162.1° | 120.0° |
| H47 | C46 | C48 | C49 | 39.6° | 20.0° |
| H47 | C46 | C48 | C53 | 141.2° | 159.7° |
| H47 | C46 | N7 | C39 | 29.6° | 35.0° |
| H47 | C46 | C47 | N8 | 19.8° | 60.0° |
| O15 | C47 | N8 | C54 | 1.3° | 0.0° |
| O15 | C47 | N8 | H53 | 178.7° | 179.9° |
| C48 | C49 | C50 | H48 | 180.0° | 180.0° |
| C48 | C49 | C50 | C51 | 1.4° | 0.0° |
| C48 | C49 | C50 | H49 | 178.7° | 179.9° |
| C49 | C48 | C53 | C52 | 0.5° | 0.6° |
| C49 | C48 | C53 | H52 | 179.4° | 179.7° |
| C53 | C48 | C49 | C50 | 0.2° | 0.3° |
| C53 | C48 | C49 | H48 | 179.9° | 179.7° |
| C48 | C53 | C52 | C51 | 0.0° | 0.5° |
| C48 | C53 | C52 | H52 | 180.0° | 179.7° |
| C48 | C53 | C52 | H51 | 180.0° | 179.7° |
| C49 | C50 | C51 | H49 | 180.0° | 179.9° |
| C49 | C50 | C51 | O16 | 175.9° | 180.0° |
| C49 | C50 | C51 | C52 | 2.0° | 0.1° |
| H48 | C49 | C50 | C51 | 178.6° | 180.0° |
| H48 | C49 | C50 | H49 | 1.3° | 0.1° |
| C50 | C51 | O16 | C52 | 177.9° | 179.9° |
| C50 | C51 | O16 | H50 | 180.0° | 90.0° |
| C50 | C51 | C52 | C53 | 1.3° | 0.2° |
| C50 | C51 | C52 | H51 | 178.7° | 180.0° |
| H49 | C50 | C51 | O16 | 4.0° | 0.1° |
| H49 | C50 | C51 | C52 | 178.1° | 180.0° |
| O16 | C51 | C52 | C53 | 176.7° | 179.7° |
| O16 | C51 | C52 | H51 | 3.3° | 0.1° |
| C52 | C51 | O16 | H50 | 2.0° | 90.0° |
| C51 | C52 | C53 | H51 | 180.0° | 179.8° |
| C51 | C52 | C53 | H52 | 180.0° | 179.8° |
| H51 | C52 | C53 | H52 | 0.0° | 0.0° |
| C54 | N8 | H53 | C47 | 180.0° | 179.9° |
| N8 | C54 | C55 | C56 | 125.1° | 120.0° |
| N8 | C54 | C55 | H54 | 117.9° | 120.0° |
| N8 | C54 | C56 | H54 | 124.0° | 120.0° |
| N8 | C54 | C55 | O17 | 40.6° | 0.0° |
| N8 | C54 | C56 | C57 | 23.9° | 140.1° |
| N8 | C54 | C56 | C61 | 154.3° | 40.3° |
| N8 | C54 | C55 | N9 | 141.8° | 180.0° |
| H53 | N8 | C54 | C55 | 24.6° | 25.1° |
| H53 | N8 | C54 | C56 | 94.8° | 94.9° |
| H53 | N8 | C54 | H54 | 141.5° | 145.0° |
| C55 | C54 | C56 | H54 | 116.4° | 120.0° |
| C54 | C55 | O17 | N9 | 177.2° | 180.0° |
| C55 | C54 | C56 | C57 | 95.7° | 100.0° |
| C55 | C54 | C56 | C61 | 86.1° | 79.7° |
| C54 | C55 | N9 | C62 | 170.0° | 180.0° |
| C54 | C55 | N9 | H60 | 10.0° | 0.0° |
| C55 | C54 | N8 | C47 | 155.4° | 155.0° |
| C56 | C54 | C55 | O17 | 84.5° | 120.0° |
| C54 | C56 | C57 | C61 | 178.2° | 179.7° |
| C54 | C56 | C57 | C58 | 178.8° | 180.0° |
| C54 | C56 | C57 | H55 | 1.2° | 0.1° |
| C54 | C56 | C61 | C60 | 179.0° | 179.7° |
| C54 | C56 | C61 | H59 | 1.0° | 0.0° |
| C56 | C54 | N8 | C47 | 85.3° | 85.0° |
| C56 | C54 | C55 | N9 | 93.1° | 60.0° |
| H54 | C54 | C55 | O17 | 158.5° | 120.0° |
| H54 | C54 | C56 | C57 | 147.9° | 20.0° |
| H54 | C54 | C56 | C61 | 30.2° | 160.3° |
| H54 | C54 | N8 | C47 | 38.5° | 35.1° |
| H54 | C54 | C55 | N9 | 24.0° | 60.0° |
| O17 | C55 | N9 | C62 | 7.3° | 0.0° |
| O17 | C55 | N9 | H60 | 172.7° | 180.0° |
| C56 | C57 | C58 | H55 | 180.0° | 179.9° |
| C56 | C57 | C58 | O18 | 179.9° | 180.0° |
| C56 | C57 | C58 | C59 | 0.4° | 0.1° |
| C57 | C56 | C61 | C60 | 0.8° | 0.6° |
| C57 | C56 | C61 | H59 | 179.2° | 179.7° |
| C61 | C56 | C57 | C58 | 3.1° | 0.3° |
| C61 | C56 | C57 | H55 | 177.0° | 179.7° |
| C56 | C61 | C60 | C59 | 4.0° | 0.5° |
| C56 | C61 | C60 | O19 | 171.2° | 179.8° |
| C56 | C61 | C60 | H59 | 180.0° | 179.8° |
| C57 | C58 | O18 | C59 | 179.7° | 180.0° |
| C57 | C58 | O18 | H56 | 180.0° | 90.0° |
| C57 | C58 | C59 | C60 | 4.3° | 0.0° |
| C57 | C58 | C59 | H57 | 175.7° | 180.0° |
| H55 | C57 | C58 | O18 | 0.0° | 0.1° |
| H55 | C57 | C58 | C59 | 179.6° | 180.0° |
| O18 | C58 | C59 | C60 | 175.4° | 180.0° |
| O18 | C58 | C59 | H57 | 4.6° | 0.0° |
| C59 | C58 | O18 | H56 | 0.4° | 90.0° |
| C58 | C59 | C60 | H57 | 180.0° | 180.0° |
| C58 | C59 | C60 | O19 | 175.1° | 180.0° |
| C58 | C59 | C60 | C61 | 6.3° | 0.3° |
| C59 | C60 | O19 | C61 | 168.0° | 179.7° |
| C59 | C60 | O19 | H58 | 180.0° | 90.0° |
| C59 | C60 | C61 | H59 | 176.0° | 179.7° |
| H57 | C59 | C60 | O19 | 4.9° | 0.1° |
| H57 | C59 | C60 | C61 | 173.7° | 179.8° |
| O19 | C60 | C61 | H59 | 8.8° | 0.0° |
| C61 | C60 | O19 | H58 | 12.0° | 89.7° |
| C62 | N9 | H60 | C55 | 180.0° | 180.0° |
| N9 | C62 | C63 | C64 | 124.8° | 120.0° |
| N9 | C62 | C63 | H61 | 118.0° | 120.0° |
| N9 | C62 | C64 | H61 | 121.0° | 120.0° |
| N9 | C62 | C63 | O20 | 50.3° | 18.9° |
| N9 | C62 | C64 | C65 | 174.9° | 63.0° |
| N9 | C62 | C64 | C66 | 55.4° | 57.0° |
| N9 | C62 | C64 | H62 | 64.4° | 177.0° |
| N9 | C62 | C63 | N10 | 128.0° | 161.1° |
| H60 | N9 | C62 | C63 | 65.0° | 25.0° |
| H60 | N9 | C62 | C64 | 57.3° | 95.0° |
| H60 | N9 | C62 | H61 | 177.6° | 145.0° |
| C63 | C62 | C64 | H61 | 117.4° | 120.0° |
| C62 | C63 | O20 | N10 | 178.2° | 180.0° |
| C63 | C62 | C64 | C65 | 63.5° | 177.0° |
| C63 | C62 | C64 | C66 | 177.0° | 63.0° |
| C63 | C62 | C64 | H62 | 57.2° | 57.0° |
| C62 | C63 | N10 | C67 | 173.4° | 175.1° |
| C62 | C63 | N10 | H69 | 6.6° | 5.0° |
| C63 | C62 | N9 | C55 | 115.0° | 155.0° |
| C64 | C62 | C63 | O20 | 74.4° | 101.1° |
| C62 | C64 | C65 | C66 | 119.8° | 120.0° |
| C62 | C64 | C65 | H62 | 120.6° | 120.0° |
| C62 | C64 | C66 | H62 | 119.6° | 120.0° |
| C62 | C64 | C65 | H63 | 180.0° | 60.0° |
| C62 | C64 | C65 | H64 | 60.0° | 180.0° |
| C62 | C64 | C65 | H65 | 60.0° | 60.0° |
| C62 | C64 | C66 | H66 | 180.0° | 64.8° |
| C62 | C64 | C66 | H67 | 60.0° | 175.2° |
| C62 | C64 | C66 | H68 | 60.0° | 55.3° |
| C64 | C62 | N9 | C55 | 122.7° | 85.0° |
| C64 | C62 | C63 | N10 | 107.2° | 78.9° |
| H61 | C62 | C63 | O20 | 168.3° | 138.9° |
| H61 | C62 | C64 | C65 | 53.9° | 57.0° |
| H61 | C62 | C64 | C66 | 65.6° | 177.0° |
| H61 | C62 | C64 | H62 | 174.6° | 63.1° |
| H61 | C62 | N9 | C55 | 2.4° | 35.0° |
| H61 | C62 | C63 | N10 | 10.1° | 41.1° |
| O20 | C63 | N10 | C67 | 8.3° | 4.9° |
| O20 | C63 | N10 | H69 | 171.7° | 175.0° |
| C65 | C64 | C66 | H62 | 119.5° | 120.0° |
| C64 | C65 | H63 | H64 | 120.0° | 119.9° |
| C64 | C65 | H63 | H65 | 120.0° | 120.0° |
| C64 | C65 | H64 | H65 | 120.0° | 119.9° |
| C65 | C64 | C66 | H66 | 59.1° | 175.2° |
| C65 | C64 | C66 | H67 | 60.9° | 55.2° |
| C65 | C64 | C66 | H68 | 179.2° | 64.7° |
| C66 | C64 | C65 | H63 | 60.2° | 60.0° |
| C66 | C64 | C65 | H64 | 179.8° | 60.0° |
| C66 | C64 | C65 | H65 | 59.8° | 180.0° |
| C64 | C66 | H66 | H67 | 120.0° | 120.0° |
| C64 | C66 | H66 | H68 | 120.0° | 120.0° |
| C64 | C66 | H67 | H68 | 120.0° | 120.0° |
| H62 | C64 | C65 | H63 | 59.4° | 180.0° |
| H62 | C64 | C65 | H64 | 60.6° | 60.0° |
| H62 | C64 | C65 | H65 | 179.4° | 60.0° |
| H62 | C64 | C66 | H66 | 60.4° | 55.2° |
| H62 | C64 | C66 | H67 | 179.6° | 64.8° |
| H62 | C64 | C66 | H68 | 59.6° | 175.2° |
| H63 | C65 | H64 | H65 | 120.0° | 120.1° |
| H66 | C66 | H67 | H68 | 120.0° | 120.0° |
| C67 | N10 | H69 | C63 | 180.0° | 179.9° |
| N10 | C67 | C68 | C69 | 123.6° | 120.0° |
| N10 | C67 | C68 | H70 | 118.0° | 119.9° |
| N10 | C67 | C69 | H70 | 122.2° | 120.1° |
| N10 | C67 | C68 | O21 | 40.7° | 0.0° |
| N10 | C67 | C69 | C70 | 132.6° | 140.0° |
| N10 | C67 | C69 | C74 | 45.5° | 40.2° |
| N10 | C67 | C68 | N11 | 140.0° | 180.0° |
| H69 | N10 | C67 | C68 | 18.7° | 25.1° |
| H69 | N10 | C67 | C69 | 102.0° | 94.9° |
| H69 | N10 | C67 | H70 | 136.1° | 145.0° |
| C68 | C67 | C69 | H70 | 118.1° | 120.0° |
| C67 | C68 | O21 | N11 | 179.3° | 180.0° |
| C68 | C67 | C69 | C70 | 107.6° | 100.0° |
| C68 | C67 | C69 | C74 | 74.3° | 79.8° |
| C67 | C68 | N11 | C75 | 175.7° | 180.0° |
| C67 | C68 | N11 | H76 | 4.3° | 0.0° |
| C68 | C67 | N10 | C63 | 161.2° | 155.0° |
| C69 | C67 | C68 | O21 | 82.9° | 120.0° |
| C67 | C69 | C70 | C74 | 178.0° | 179.8° |
| C67 | C69 | C70 | C71 | 179.9° | 179.9° |
| C67 | C69 | C70 | H71 | 0.1° | 0.0° |
| C67 | C69 | C74 | C73 | 177.4° | 179.7° |
| C67 | C69 | C74 | H75 | 2.6° | 0.0° |
| C69 | C67 | N10 | C63 | 78.1° | 85.0° |
| C69 | C67 | C68 | N11 | 96.5° | 60.0° |
| H70 | C67 | C68 | O21 | 158.7° | 119.9° |
| H70 | C67 | C69 | C70 | 10.5° | 20.0° |
| H70 | C67 | C69 | C74 | 167.7° | 160.3° |
| H70 | C67 | N10 | C63 | 43.9° | 35.1° |
| H70 | C67 | C68 | N11 | 22.0° | 60.1° |
| O21 | C68 | N11 | C75 | 3.6° | 0.0° |
| O21 | C68 | N11 | H76 | 176.4° | 180.0° |
| C69 | C70 | C71 | H71 | 180.0° | 179.9° |
| C69 | C70 | C71 | O22 | 179.8° | 180.0° |
| C69 | C70 | C71 | C72 | 2.4° | 0.0° |
| C70 | C69 | C74 | C73 | 4.5° | 0.5° |
| C70 | C69 | C74 | H75 | 175.5° | 179.7° |
| C74 | C69 | C70 | C71 | 2.1° | 0.3° |
| C74 | C69 | C70 | H71 | 178.0° | 179.8° |
| C69 | C74 | C73 | C72 | 2.2° | 0.5° |
| C69 | C74 | C73 | O23 | 178.3° | 179.8° |
| C69 | C74 | C73 | H75 | 180.0° | 179.7° |
| C70 | C71 | O22 | C72 | 177.3° | 180.0° |
| C70 | C71 | O22 | H72 | 180.0° | 89.9° |
| C70 | C71 | C72 | C73 | 4.6° | 0.0° |
| C70 | C71 | C72 | H73 | 175.4° | 180.0° |
| H71 | C70 | C71 | O22 | 0.2° | 0.1° |
| H71 | C70 | C71 | C72 | 177.6° | 180.0° |
| O22 | C71 | C72 | C73 | 178.2° | 180.0° |
| O22 | C71 | C72 | H73 | 1.8° | 0.0° |
| C72 | C71 | O22 | H72 | 2.7° | 90.0° |
| C71 | C72 | C73 | H73 | 180.0° | 180.0° |
| C71 | C72 | C73 | O23 | 177.3° | 180.0° |
| C71 | C72 | C73 | C74 | 2.2° | 0.2° |
| C72 | C73 | O23 | C74 | 179.5° | 179.8° |
| C72 | C73 | O23 | H74 | 180.0° | 90.0° |
| C72 | C73 | C74 | H75 | 177.8° | 179.8° |
| H73 | C72 | C73 | O23 | 2.7° | 0.0° |
| H73 | C72 | C73 | C74 | 177.8° | 179.8° |
| O23 | C73 | C74 | H75 | 1.6° | 0.0° |
| C74 | C73 | O23 | H74 | 0.5° | 89.8° |
| C75 | N11 | H76 | C68 | 180.0° | 180.0° |
| N11 | C75 | C76 | C77 | 121.8° | 120.0° |
| N11 | C75 | C76 | H77 | 117.8° | 120.1° |
| N11 | C75 | C77 | H77 | 119.9° | 120.0° |
| N11 | C75 | C76 | O24 | 60.0° | 0.1° |
| N11 | C75 | C77 | C78 | 139.0° | 140.1° |
| N11 | C75 | C77 | C82 | 41.8° | 39.7° |
| N11 | C75 | C76 | N12 | 117.0° | 180.0° |
| H76 | N11 | C75 | C76 | 58.0° | 24.9° |
| H76 | N11 | C75 | C77 | 64.5° | 95.0° |
| H76 | N11 | C75 | H77 | 175.7° | 145.0° |
| C76 | C75 | C77 | H77 | 120.4° | 120.0° |
| C75 | C76 | O24 | N12 | 176.8° | 180.0° |
| C76 | C75 | C77 | C78 | 101.4° | 100.0° |
| C76 | C75 | C77 | C82 | 77.9° | 80.3° |
| C75 | C76 | N12 | C83 | 172.4° | 179.9° |
| C75 | C76 | N12 | H83 | 7.6° | 0.0° |
| C76 | C75 | N11 | C68 | 122.0° | 155.0° |
| C77 | C75 | C76 | O24 | 61.7° | 120.0° |
| C75 | C77 | C78 | C82 | 179.3° | 179.8° |
| C75 | C77 | C78 | C79 | 178.8° | 180.0° |
| C75 | C77 | C78 | H78 | 1.1° | 0.0° |
| C75 | C77 | C82 | C81 | 177.9° | 179.7° |
| C75 | C77 | C82 | H82 | 2.1° | 0.0° |
| C77 | C75 | N11 | C68 | 115.5° | 85.0° |
| C77 | C75 | C76 | N12 | 121.3° | 60.0° |
| H77 | C75 | C76 | O24 | 177.8° | 120.0° |
| H77 | C75 | C77 | C78 | 19.1° | 20.0° |
| H77 | C75 | C77 | C82 | 161.7° | 159.7° |
| H77 | C75 | N11 | C68 | 4.3° | 34.9° |
| H77 | C75 | C76 | N12 | 0.8° | 59.9° |
| O24 | C76 | N12 | C83 | 4.4° | 0.0° |
| O24 | C76 | N12 | H83 | 175.6° | 180.0° |
| C77 | C78 | C79 | H78 | 180.0° | 180.0° |
| C77 | C78 | C79 | C80 | 4.3° | 0.0° |
| C77 | C78 | C79 | H79 | 175.7° | 180.0° |
| C78 | C77 | C82 | C81 | 1.4° | 0.5° |
| C78 | C77 | C82 | H82 | 178.6° | 179.7° |
| C82 | C77 | C78 | C79 | 0.4° | 0.3° |
| C82 | C77 | C78 | H78 | 179.6° | 179.7° |
| C77 | C82 | C81 | C80 | 6.3° | 0.5° |
| C77 | C82 | C81 | H82 | 180.0° | 179.7° |
| C77 | C82 | C81 | H81 | 173.7° | 179.7° |
| C78 | C79 | C80 | H79 | 180.0° | 179.9° |
| C78 | C79 | C80 | O25 | 179.2° | 180.0° |
| C78 | C79 | C80 | C81 | 8.8° | 0.1° |
| H78 | C78 | C79 | C80 | 175.8° | 180.0° |
| H78 | C78 | C79 | H79 | 4.2° | 0.1° |
| C79 | C80 | O25 | C81 | 171.8° | 179.9° |
| C79 | C80 | O25 | H80 | 180.0° | 89.9° |
| C79 | C80 | C81 | C82 | 10.1° | 0.2° |
| C79 | C80 | C81 | H81 | 169.9° | 180.0° |
| H79 | C79 | C80 | O25 | 0.8° | 0.1° |
| H79 | C79 | C80 | C81 | 171.2° | 180.0° |
| O25 | C80 | C81 | C82 | 177.9° | 179.7° |
| O25 | C80 | C81 | H81 | 2.2° | 0.1° |
| C81 | C80 | O25 | H80 | 8.2° | 90.0° |
| C80 | C81 | C82 | H81 | 180.0° | 179.8° |
| C80 | C81 | C82 | H82 | 173.7° | 179.8° |
| H81 | C81 | C82 | H82 | 6.3° | 0.0° |
| C83 | N12 | H83 | C76 | 180.0° | 180.0° |
| N12 | C83 | C84 | C85 | 120.7° | 120.0° |
| N12 | C83 | C84 | H84 | 119.8° | 119.9° |
| N12 | C83 | C85 | H84 | 119.2° | 120.0° |
| N12 | C83 | C84 | O26 | 16.0° | 0.0° |
| N12 | C83 | C85 | C86 | 58.0° | 65.0° |
| N12 | C83 | C85 | H85 | 178.6° | 54.9° |
| N12 | C83 | C85 | H86 | 62.7° | 175.0° |
| N12 | C83 | C84 | N13 | 164.7° | 180.0° |
| H83 | N12 | C83 | C84 | 25.0° | 25.1° |
| H83 | N12 | C83 | C85 | 96.8° | 95.0° |
| H83 | N12 | C83 | H84 | 144.6° | 144.9° |
| C84 | C83 | C85 | H84 | 119.6° | 120.0° |
| C83 | C84 | O26 | N13 | 179.2° | 179.9° |
| C84 | C83 | C85 | C86 | 63.3° | 175.0° |
| C84 | C83 | C85 | H85 | 57.4° | 65.0° |
| C84 | C83 | C85 | H86 | 176.1° | 55.0° |
| C83 | C84 | N13 | C92 | 176.5° | 180.0° |
| C83 | C84 | N13 | H92 | 3.5° | 0.1° |
| C84 | C83 | N12 | C76 | 154.9° | 155.0° |
| C85 | C83 | C84 | O26 | 104.7° | 120.0° |
| C83 | C85 | C86 | H85 | 120.6° | 120.0° |
| C83 | C85 | C86 | H86 | 120.6° | 120.0° |
| C83 | C85 | H85 | H86 | 118.0° | 120.0° |
| C83 | C85 | C86 | C87 | 83.8° | 90.0° |
| C83 | C85 | C86 | C88 | 93.4° | 90.2° |
| C85 | C83 | N12 | C76 | 83.3° | 85.0° |
| C85 | C83 | C84 | N13 | 74.5° | 59.9° |
| H84 | C83 | C84 | O26 | 135.9° | 120.0° |
| H84 | C83 | C85 | C86 | 177.1° | 55.0° |
| H84 | C83 | C85 | H85 | 62.2° | 175.0° |
| H84 | C83 | C85 | H86 | 56.5° | 65.0° |
| H84 | C83 | N12 | C76 | 35.4° | 35.1° |
| H84 | C83 | C84 | N13 | 44.9° | 60.1° |
| O26 | C84 | N13 | C92 | 4.2° | 0.1° |
| O26 | C84 | N13 | H92 | 175.8° | 180.0° |
| C86 | C85 | H85 | H86 | 118.1° | 120.0° |
| C85 | C86 | C87 | C88 | 177.3° | 179.8° |
| C85 | C86 | C87 | C89 | 173.9° | 180.0° |
| C85 | C86 | C87 | H87 | 6.1° | 0.0° |
| C85 | C86 | C88 | C90 | 175.9° | 180.0° |
| C85 | C86 | C88 | H88 | 4.1° | 0.1° |
| H85 | C85 | C86 | C87 | 36.8° | 30.0° |
| H85 | C85 | C86 | C88 | 145.9° | 149.8° |
| H86 | C85 | C86 | C87 | 155.6° | 150.0° |
| H86 | C85 | C86 | C88 | 27.2° | 29.8° |
| C86 | C87 | C89 | H87 | 180.0° | 180.0° |
| C87 | C86 | C88 | C90 | 1.6° | 0.2° |
| C87 | C86 | C88 | H88 | 178.4° | 179.7° |
| C86 | C87 | C89 | C91 | 1.4° | 0.0° |
| C86 | C87 | C89 | H89 | 178.6° | 180.0° |
| C88 | C86 | C87 | C89 | 3.4° | 0.2° |
| C88 | C86 | C87 | H87 | 176.6° | 179.8° |
| C86 | C88 | C90 | H88 | 180.0° | 179.8° |
| C86 | C88 | C90 | C91 | 2.0° | 0.1° |
| C86 | C88 | C90 | H90 | 178.0° | 179.9° |
| C87 | C89 | C91 | H89 | 180.0° | 180.0° |
| C87 | C89 | C91 | C90 | 2.6° | 0.2° |
| C87 | C89 | C91 | H91 | 177.4° | 180.0° |
| H87 | C87 | C89 | C91 | 178.7° | 180.0° |
| H87 | C87 | C89 | H89 | 1.4° | 0.0° |
| C88 | C90 | C91 | C89 | 4.3° | 0.3° |
| C88 | C90 | C91 | H90 | 180.0° | 180.0° |
| C88 | C90 | C91 | H91 | 175.7° | 180.0° |
| H88 | C88 | C90 | C91 | 178.0° | 179.9° |
| H88 | C88 | C90 | H90 | 2.0° | 0.1° |
| C89 | C91 | C90 | H91 | 180.0° | 179.8° |
| C89 | C91 | C90 | H90 | 175.7° | 179.7° |
| H89 | C89 | C91 | C90 | 177.4° | 179.8° |
| H89 | C89 | C91 | H91 | 2.6° | 0.0° |
| H90 | C90 | C91 | H91 | 4.3° | 0.0° |
| C92 | N13 | H92 | C84 | 180.0° | 179.9° |
| N13 | C92 | C93 | C94 | 125.3° | 120.0° |
| N13 | C92 | C93 | H93 | 118.5° | 120.0° |
| N13 | C92 | C94 | H93 | 124.1° | 120.0° |
| N13 | C92 | C93 | O27 | 26.0° | 0.0° |
| N13 | C92 | C93 | O30 | 153.3° | 180.0° |
| N13 | C92 | C94 | C95 | 57.2° | 65.0° |
| N13 | C92 | C94 | H94 | 63.2° | 55.0° |
| N13 | C92 | C94 | H95 | 177.5° | 175.0° |
| H92 | N13 | C92 | C93 | 34.8° | 95.0° |
| H92 | N13 | C92 | C94 | 83.9° | 25.0° |
| H92 | N13 | C92 | H93 | 152.5° | 145.0° |
| C93 | C92 | C94 | H93 | 116.2° | 120.0° |
| C92 | C93 | O27 | O30 | 179.2° | 180.0° |
| C93 | C92 | C94 | C95 | 176.9° | 175.0° |
| C93 | C92 | C94 | H94 | 56.5° | 65.0° |
| C93 | C92 | C94 | H95 | 62.8° | 55.0° |
| C92 | C93 | O30 | H97 | 179.2° | 180.0° |
| C93 | C92 | N13 | C84 | 145.1° | 85.1° |
| C94 | C92 | C93 | O27 | 99.2° | 120.0° |
| C94 | C92 | C93 | O30 | 81.4° | 60.0° |
| C92 | C94 | C95 | H94 | 120.4° | 120.0° |
| C92 | C94 | C95 | H95 | 120.4° | 120.0° |
| C92 | C94 | H94 | H95 | 118.8° | 120.0° |
| C92 | C94 | C95 | O28 | 91.4° | 0.0° |
| C92 | C94 | C95 | O29 | 84.8° | 180.0° |
| C94 | C92 | N13 | C84 | 96.1° | 154.9° |
| H93 | C92 | C93 | O27 | 144.5° | 120.0° |
| H93 | C92 | C93 | O30 | 34.8° | 60.0° |
| H93 | C92 | C94 | C95 | 67.0° | 55.0° |
| H93 | C92 | C94 | H94 | 172.6° | 175.0° |
| H93 | C92 | C94 | H95 | 53.4° | 65.0° |
| H93 | C92 | N13 | C84 | 27.5° | 34.9° |
| O27 | C93 | O30 | H97 | 0.0° | 0.0° |
| C95 | C94 | H94 | H95 | 118.8° | 120.0° |
| C94 | C95 | O28 | O29 | 176.1° | 180.0° |
| C94 | C95 | O29 | H96 | 176.1° | 180.0° |
| H94 | C94 | C95 | O28 | 148.2° | 120.0° |
| H94 | C94 | C95 | O29 | 35.6° | 60.0° |
| H95 | C94 | C95 | O28 | 29.0° | 120.0° |
| H95 | C94 | C95 | O29 | 154.8° | 60.0° |
| O28 | C95 | O29 | H96 | 0.0° | 0.0° |
