PRD_001145
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C1 | sing | 1.47Å | 0.00Å | |
| N1 | C5 | sing | 1.48Å | 0.00Å | |
| N1 | H1 | sing | 1.01Å | 0.00Å | |
| C1 | C2 | sing | 1.51Å | 0.00Å | |
| C1 | C3 | sing | 1.54Å | 0.00Å | |
| C1 | H2 | sing | 1.09Å | 0.00Å | |
| C2 | O1 | doub | 1.21Å | 0.00Å | |
| C3 | C4 | sing | 1.55Å | 0.00Å | |
| C3 | H3 | sing | 1.09Å | 0.00Å | |
| C3 | H4 | sing | 1.09Å | 0.00Å | |
| C4 | C5 | sing | 1.55Å | 0.00Å | |
| C4 | H5 | sing | 1.09Å | 0.00Å | |
| C4 | H6 | sing | 1.09Å | 0.00Å | |
| C5 | H7 | sing | 1.09Å | 0.00Å | |
| C5 | H8 | sing | 1.09Å | 0.00Å | |
| N2 | C6 | sing | 1.46Å | 0.00Å | |
| N2 | H9 | sing | 0.97Å | 0.00Å | |
| C6 | C7 | sing | 1.51Å | 0.00Å | |
| C6 | H10 | sing | 1.09Å | 0.00Å | |
| C6 | H11 | sing | 1.09Å | 0.00Å | |
| C7 | O2 | doub | 1.21Å | 0.00Å | |
| N3 | C8 | sing | 1.47Å | 0.00Å | |
| N3 | H12 | sing | 0.97Å | 0.00Å | |
| C8 | C9 | sing | 1.51Å | 0.00Å | |
| C8 | H13 | sing | 1.09Å | 0.00Å | |
| C8 | H14 | sing | 1.09Å | 0.00Å | |
| C9 | O3 | doub | 1.21Å | 0.00Å | |
| N4 | C10 | sing | 1.47Å | 0.00Å | |
| N4 | H15 | sing | 0.97Å | 0.00Å | |
| C10 | C11 | sing | 1.51Å | 0.00Å | |
| C10 | H16 | sing | 1.09Å | 0.00Å | |
| C10 | H17 | sing | 1.09Å | 0.00Å | |
| C11 | O4 | doub | 1.21Å | 0.00Å | |
| N5 | C12 | sing | 1.47Å | 0.00Å | |
| N5 | H18 | sing | 0.97Å | 0.00Å | |
| C12 | C13 | sing | 1.51Å | 0.00Å | |
| C12 | H19 | sing | 1.09Å | 0.00Å | |
| C12 | H20 | sing | 1.09Å | 0.00Å | |
| C13 | O5 | doub | 1.21Å | 0.00Å | |
| N6 | C14 | sing | 1.47Å | 0.00Å | |
| N6 | H21 | sing | 0.97Å | 0.00Å | |
| C14 | C15 | sing | 1.51Å | 0.00Å | |
| C14 | C16 | sing | 1.53Å | 0.00Å | |
| C14 | H22 | sing | 1.09Å | 0.00Å | |
| C15 | O6 | doub | 1.21Å | 0.00Å | |
| C16 | C17 | sing | 1.51Å | 0.00Å | |
| C16 | H23 | sing | 1.09Å | 0.00Å | |
| C16 | H24 | sing | 1.09Å | 0.00Å | |
| C17 | O7 | doub | 1.21Å | 0.00Å | |
| C17 | N7 | sing | 1.35Å | 0.00Å | |
| N7 | H25 | sing | 0.97Å | 0.00Å | |
| N7 | H26 | sing | 0.97Å | 0.00Å | |
| N8 | C18 | sing | 1.47Å | 0.00Å | |
| N8 | H27 | sing | 0.97Å | 0.00Å | |
| C18 | C19 | sing | 1.51Å | 0.00Å | |
| C18 | H28 | sing | 1.09Å | 0.00Å | |
| C18 | H29 | sing | 1.09Å | 0.00Å | |
| C19 | O8 | doub | 1.21Å | 0.00Å | |
| N9 | C20 | sing | 1.46Å | 1.47Å | |
| N9 | H30 | sing | 0.97Å | 1.00Å | |
| C20 | C21 | sing | 1.51Å | 1.52Å | |
| C20 | C22 | sing | 1.53Å | 1.54Å | |
| C20 | H31 | sing | 1.09Å | 1.10Å | |
| C21 | O9 | doub | 1.21Å | 1.24Å | |
| C22 | C23 | sing | 1.51Å | 37.95Å | |
| C22 | H32 | sing | 1.09Å | 1.10Å | |
| C22 | H33 | sing | 1.09Å | 1.10Å | |
| C23 | O10 | doub | 1.21Å | 0.00Å | |
| C23 | O11 | sing | 1.34Å | 0.00Å | |
| O11 | H34 | sing | 0.97Å | 0.00Å | |
| N10 | C24 | sing | 1.46Å | 1.45Å | |
| N10 | H35 | sing | 0.97Å | 1.00Å | |
| C24 | C25 | sing | 1.51Å | 1.52Å | |
| C24 | C26 | sing | 1.53Å | 1.53Å | |
| C24 | H36 | sing | 1.09Å | 1.10Å | |
| C25 | O12 | doub | 1.21Å | 1.24Å | |
| C26 | C27 | sing | 1.51Å | 1.51Å | |
| C26 | H37 | sing | 1.09Å | 1.10Å | |
| C26 | H38 | sing | 1.09Å | 1.10Å | |
| C27 | C28 | doub | 1.38Å | 1.37Å | Aromatic |
| C27 | C29 | sing | 1.38Å | 1.38Å | Aromatic |
| C28 | C30 | sing | 1.38Å | 1.39Å | Aromatic |
| C28 | H39 | sing | 1.08Å | 1.08Å | |
| C29 | C31 | doub | 1.38Å | 1.39Å | Aromatic |
| C29 | H40 | sing | 1.08Å | 1.08Å | |
| C30 | C32 | doub | 1.38Å | 1.38Å | Aromatic |
| C30 | H41 | sing | 1.08Å | 1.08Å | |
| C31 | C32 | sing | 1.38Å | 1.36Å | Aromatic |
| C31 | H42 | sing | 1.08Å | 1.08Å | |
| C32 | H43 | sing | 1.08Å | 1.08Å | |
| N11 | C33 | sing | 1.47Å | 1.46Å | |
| N11 | H44 | sing | 0.97Å | 1.00Å | |
| C33 | C34 | sing | 1.51Å | 1.52Å | |
| C33 | C35 | sing | 1.53Å | 1.53Å | |
| C33 | H45 | sing | 1.09Å | 1.10Å | |
| C34 | O13 | doub | 1.21Å | 1.24Å | |
| C35 | C36 | sing | 1.53Å | 1.54Å | |
| C35 | H46 | sing | 1.09Å | 1.10Å | |
| C35 | H47 | sing | 1.09Å | 1.10Å | |
| C36 | C37 | sing | 1.51Å | 1.52Å | |
| C36 | H48 | sing | 1.09Å | 1.10Å | |
| C36 | H49 | sing | 1.09Å | 1.10Å | |
| C37 | O14 | doub | 1.21Å | 1.27Å | |
| C37 | O15 | sing | 1.34Å | 1.23Å | |
| O15 | H50 | sing | 0.97Å | 0.95Å | |
| N12 | C38 | sing | 1.47Å | 1.47Å | |
| N12 | H51 | sing | 0.97Å | 1.00Å | |
| C38 | C39 | sing | 1.51Å | 1.52Å | |
| C38 | C40 | sing | 1.53Å | 1.54Å | |
| C38 | H52 | sing | 1.09Å | 1.10Å | |
| C39 | O16 | doub | 1.21Å | 1.24Å | |
| C40 | C41 | sing | 1.53Å | 1.52Å | |
| C40 | H53 | sing | 1.09Å | 1.10Å | |
| C40 | H54 | sing | 1.09Å | 1.10Å | |
| C41 | C42 | sing | 1.51Å | 1.51Å | |
| C41 | H55 | sing | 1.09Å | 1.10Å | |
| C41 | H56 | sing | 1.09Å | 1.10Å | |
| C42 | O17 | doub | 1.21Å | 1.25Å | |
| C42 | O18 | sing | 1.34Å | 1.25Å | |
| O18 | H57 | sing | 0.97Å | 0.95Å | |
| N13 | C43 | sing | 1.46Å | 1.46Å | |
| N13 | H58 | sing | 0.97Å | 1.00Å | |
| C43 | C44 | sing | 1.51Å | 1.53Å | |
| C43 | C45 | sing | 1.53Å | 1.53Å | |
| C43 | H59 | sing | 1.09Å | 1.10Å | |
| C44 | O19 | doub | 1.21Å | 1.25Å | |
| C45 | C46 | sing | 1.53Å | 1.52Å | |
| C45 | C47 | sing | 1.53Å | 1.53Å | |
| C45 | H60 | sing | 1.09Å | 1.10Å | |
| C46 | C48 | sing | 1.53Å | 1.53Å | |
| C46 | H61 | sing | 1.09Å | 1.10Å | |
| C46 | H62 | sing | 1.09Å | 1.10Å | |
| C47 | H63 | sing | 1.09Å | 1.10Å | |
| C47 | H64 | sing | 1.09Å | 1.10Å | |
| C47 | H65 | sing | 1.09Å | 1.10Å | |
| C48 | H66 | sing | 1.09Å | 1.10Å | |
| C48 | H67 | sing | 1.09Å | 1.10Å | |
| C48 | H68 | sing | 1.09Å | 1.10Å | |
| N14 | C49 | sing | 1.47Å | 1.48Å | |
| N14 | C53 | sing | 1.48Å | 1.48Å | |
| C49 | C50 | sing | 1.51Å | 1.52Å | |
| C49 | C51 | sing | 1.54Å | 1.54Å | |
| C49 | H69 | sing | 1.09Å | 1.10Å | |
| C50 | O20 | doub | 1.21Å | 1.24Å | |
| C51 | C52 | sing | 1.55Å | 1.51Å | |
| C51 | H70 | sing | 1.09Å | 1.10Å | |
| C51 | H71 | sing | 1.09Å | 1.10Å | |
| C52 | C53 | sing | 1.55Å | 1.51Å | |
| C52 | H72 | sing | 1.09Å | 1.10Å | |
| C52 | H73 | sing | 1.09Å | 1.10Å | |
| C53 | H74 | sing | 1.09Å | 1.10Å | |
| C53 | H75 | sing | 1.09Å | 1.10Å | |
| N15 | C54 | sing | 1.46Å | 1.48Å | |
| N15 | H76 | sing | 0.97Å | 1.00Å | |
| C54 | C55 | sing | 1.51Å | 1.51Å | |
| C54 | C56 | sing | 1.53Å | 1.53Å | |
| C54 | H77 | sing | 1.09Å | 1.10Å | |
| C55 | O21 | doub | 1.21Å | 1.25Å | |
| C56 | C57 | sing | 1.53Å | 1.54Å | |
| C56 | H78 | sing | 1.09Å | 1.10Å | |
| C56 | H79 | sing | 1.09Å | 1.10Å | |
| C57 | C58 | sing | 1.51Å | 1.53Å | |
| C57 | H80 | sing | 1.09Å | 1.10Å | |
| C57 | H81 | sing | 1.09Å | 1.10Å | |
| C58 | O22 | doub | 1.21Å | 1.25Å | |
| C58 | O23 | sing | 1.34Å | 1.27Å | |
| O23 | H82 | sing | 0.97Å | 0.95Å | |
| N16 | C59 | sing | 1.46Å | 1.46Å | |
| N16 | H83 | sing | 0.97Å | 1.00Å | |
| C59 | C60 | sing | 1.51Å | 1.52Å | |
| C59 | C61 | sing | 1.53Å | 1.53Å | |
| C59 | H84 | sing | 1.09Å | 1.10Å | |
| C60 | O24 | doub | 1.21Å | 1.24Å | |
| C61 | C62 | sing | 1.53Å | 1.51Å | |
| C61 | H85 | sing | 1.09Å | 1.10Å | |
| C61 | H86 | sing | 1.09Å | 1.10Å | |
| C62 | C63 | sing | 1.51Å | 21.44Å | |
| C62 | H87 | sing | 1.09Å | 1.10Å | |
| C62 | H88 | sing | 1.09Å | 1.10Å | |
| C63 | O25 | doub | 1.21Å | 0.00Å | |
| C63 | O26 | sing | 1.34Å | 0.00Å | |
| O26 | H89 | sing | 0.97Å | 0.00Å | |
| N17 | C64 | sing | 1.46Å | 1.47Å | |
| N17 | H90 | sing | 0.97Å | 1.00Å | |
| C64 | C65 | sing | 1.51Å | 1.51Å | |
| C64 | C66 | sing | 1.53Å | 1.53Å | |
| C64 | H91 | sing | 1.09Å | 1.10Å | |
| C65 | O27 | doub | 1.21Å | 1.23Å | |
| C66 | C67 | sing | 1.51Å | 1.51Å | |
| C66 | H92 | sing | 1.09Å | 1.10Å | |
| C66 | H93 | sing | 1.09Å | 1.10Å | |
| C67 | C68 | doub | 1.38Å | 1.38Å | Aromatic |
| C67 | C69 | sing | 1.38Å | 1.39Å | Aromatic |
| C68 | C70 | sing | 1.38Å | 1.40Å | Aromatic |
| C68 | H94 | sing | 1.08Å | 1.08Å | |
| C69 | C71 | doub | 1.38Å | 1.38Å | Aromatic |
| C69 | H95 | sing | 1.08Å | 1.08Å | |
| C70 | C72 | doub | 1.39Å | 1.38Å | Aromatic |
| C70 | H96 | sing | 1.08Å | 1.08Å | |
| C71 | C72 | sing | 1.39Å | 1.37Å | Aromatic |
| C71 | H97 | sing | 1.08Å | 1.08Å | |
| C72 | O28 | sing | 1.36Å | 1.38Å | |
| O28 | H98 | sing | 0.97Å | 0.95Å | |
| N18 | C73 | sing | 1.47Å | 1.46Å | |
| N18 | H99 | sing | 0.97Å | 1.00Å | |
| C73 | C74 | sing | 1.51Å | 21.26Å | |
| C73 | C75 | sing | 1.53Å | 1.55Å | |
| C73 | H100 | sing | 1.09Å | 1.10Å | |
| C74 | O29 | doub | 1.21Å | 0.00Å | |
| C74 | O30 | sing | 1.34Å | 0.00Å | |
| C75 | C76 | sing | 1.53Å | 22.68Å | |
| C75 | H101 | sing | 1.09Å | 1.10Å | |
| C75 | H102 | sing | 1.09Å | 1.10Å | |
| C76 | C77 | sing | 1.53Å | 0.00Å | |
| C76 | C78 | sing | 1.53Å | 0.00Å | |
| C76 | H103 | sing | 1.09Å | 0.00Å | |
| C77 | H104 | sing | 1.09Å | 0.00Å | |
| C77 | H105 | sing | 1.09Å | 0.00Å | |
| C77 | H106 | sing | 1.09Å | 0.00Å | |
| C78 | H107 | sing | 1.09Å | 0.00Å | |
| C78 | H108 | sing | 1.09Å | 0.00Å | |
| C78 | H109 | sing | 1.09Å | 0.00Å | |
| O30 | H110 | sing | 0.97Å | 0.00Å | |
| C2 | N2 | sing | 1.35Å | 0.00Å | |
| C7 | N3 | sing | 1.35Å | 0.00Å | |
| C9 | N4 | sing | 1.35Å | 0.00Å | |
| C11 | N5 | sing | 1.35Å | 0.00Å | |
| C13 | N6 | sing | 1.35Å | 0.00Å | |
| C15 | N8 | sing | 1.35Å | 0.00Å | |
| C19 | N9 | sing | 1.35Å | 37.55Å | |
| C21 | N10 | sing | 1.35Å | 1.33Å | |
| C25 | N11 | sing | 1.35Å | 1.32Å | |
| C34 | N12 | sing | 1.35Å | 1.33Å | |
| C39 | N13 | sing | 1.35Å | 1.34Å | |
| C44 | N14 | sing | 1.35Å | 1.32Å | |
| C50 | N15 | sing | 1.35Å | 1.35Å | |
| C55 | N16 | sing | 1.35Å | 1.35Å | |
| C60 | N17 | sing | 1.35Å | 1.33Å | |
| C65 | N18 | sing | 1.35Å | 1.34Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | N1 | C5 | 90.0° | 108.6° |
| C1 | N1 | H1 | 90.0° | 111.0° |
| N1 | C1 | C2 | 90.0° | 109.9° |
| N1 | C1 | C3 | 90.0° | 107.2° |
| N1 | C1 | H2 | 90.0° | 109.9° |
| C5 | N1 | H1 | 90.0° | 111.0° |
| N1 | C5 | C4 | 90.0° | 104.8° |
| N1 | C5 | H7 | 90.0° | 110.4° |
| N1 | C5 | H8 | 90.0° | 110.4° |
| C2 | C1 | C3 | 90.0° | 109.9° |
| C2 | C1 | H2 | 90.0° | 109.9° |
| C1 | C2 | O1 | 90.0° | 120.0° |
| C1 | C2 | N2 | 90.0° | 120.0° |
| C3 | C1 | H2 | 90.0° | 110.1° |
| C1 | C3 | C4 | 90.0° | 103.0° |
| C1 | C3 | H3 | 90.0° | 110.7° |
| C1 | C3 | H4 | 90.0° | 110.7° |
| O1 | C2 | N2 | 90.0° | 120.0° |
| C4 | C3 | H3 | 90.0° | 110.7° |
| C4 | C3 | H4 | 90.0° | 110.7° |
| C3 | C4 | C5 | 90.0° | 101.6° |
| C3 | C4 | H5 | 90.0° | 111.0° |
| C3 | C4 | H6 | 90.0° | 111.0° |
| H3 | C3 | H4 | 90.0° | 110.8° |
| C5 | C4 | H5 | 90.0° | 111.0° |
| C5 | C4 | H6 | 90.0° | 111.0° |
| C4 | C5 | H7 | 90.0° | 110.4° |
| C4 | C5 | H8 | 90.0° | 110.4° |
| H5 | C4 | H6 | 90.0° | 110.9° |
| H7 | C5 | H8 | 90.0° | 110.4° |
| C6 | N2 | H9 | 90.0° | 120.0° |
| N2 | C6 | C7 | 90.0° | 109.5° |
| N2 | C6 | H10 | 90.0° | 109.5° |
| N2 | C6 | H11 | 90.0° | 109.5° |
| C6 | N2 | C2 | 90.0° | 120.0° |
| H9 | N2 | C2 | 90.0° | 120.0° |
| C7 | C6 | H10 | 90.0° | 109.5° |
| C7 | C6 | H11 | 90.0° | 109.4° |
| C6 | C7 | O2 | 90.0° | 120.0° |
| C6 | C7 | N3 | 90.0° | 120.0° |
| H10 | C6 | H11 | 90.0° | 109.5° |
| O2 | C7 | N3 | 90.0° | 120.0° |
| C8 | N3 | H12 | 90.0° | 120.0° |
| N3 | C8 | C9 | 90.0° | 109.5° |
| N3 | C8 | H13 | 90.0° | 109.4° |
| N3 | C8 | H14 | 90.0° | 109.5° |
| C8 | N3 | C7 | 90.0° | 120.0° |
| H12 | N3 | C7 | 90.0° | 120.0° |
| C9 | C8 | H13 | 90.0° | 109.5° |
| C9 | C8 | H14 | 90.0° | 109.5° |
| C8 | C9 | O3 | 90.0° | 120.0° |
| C8 | C9 | N4 | 90.0° | 120.0° |
| H13 | C8 | H14 | 90.0° | 109.5° |
| O3 | C9 | N4 | 90.0° | 120.0° |
| C10 | N4 | H15 | 90.0° | 120.0° |
| N4 | C10 | C11 | 90.0° | 109.5° |
| N4 | C10 | H16 | 90.0° | 109.5° |
| N4 | C10 | H17 | 90.0° | 109.4° |
| C10 | N4 | C9 | 90.0° | 120.0° |
| H15 | N4 | C9 | 90.0° | 120.0° |
| C11 | C10 | H16 | 90.0° | 109.5° |
| C11 | C10 | H17 | 90.0° | 109.5° |
| C10 | C11 | O4 | 90.0° | 120.0° |
| C10 | C11 | N5 | 90.0° | 120.0° |
| H16 | C10 | H17 | 90.0° | 109.5° |
| O4 | C11 | N5 | 90.0° | 120.0° |
| C12 | N5 | H18 | 90.0° | 120.0° |
| N5 | C12 | C13 | 90.0° | 109.5° |
| N5 | C12 | H19 | 90.0° | 109.4° |
| N5 | C12 | H20 | 90.0° | 109.5° |
| C12 | N5 | C11 | 90.0° | 120.0° |
| H18 | N5 | C11 | 90.0° | 120.0° |
| C13 | C12 | H19 | 90.0° | 109.5° |
| C13 | C12 | H20 | 90.0° | 109.5° |
| C12 | C13 | O5 | 90.0° | 120.0° |
| C12 | C13 | N6 | 90.0° | 120.0° |
| H19 | C12 | H20 | 90.0° | 109.5° |
| O5 | C13 | N6 | 90.0° | 120.0° |
| C14 | N6 | H21 | 90.0° | 120.0° |
| N6 | C14 | C15 | 90.0° | 109.4° |
| N6 | C14 | C16 | 90.0° | 109.4° |
| N6 | C14 | H22 | 90.0° | 109.4° |
| C14 | N6 | C13 | 90.0° | 120.0° |
| H21 | N6 | C13 | 90.0° | 120.0° |
| C15 | C14 | C16 | 90.0° | 109.5° |
| C15 | C14 | H22 | 90.0° | 109.5° |
| C14 | C15 | O6 | 90.0° | 120.1° |
| C14 | C15 | N8 | 90.0° | 120.0° |
| C16 | C14 | H22 | 90.0° | 109.5° |
| C14 | C16 | C17 | 90.0° | 109.5° |
| C14 | C16 | H23 | 90.0° | 109.4° |
| C14 | C16 | H24 | 90.0° | 109.5° |
| O6 | C15 | N8 | 90.0° | 120.0° |
| C17 | C16 | H23 | 90.0° | 109.4° |
| C17 | C16 | H24 | 90.0° | 109.5° |
| C16 | C17 | O7 | 90.0° | 120.0° |
| C16 | C17 | N7 | 90.0° | 120.0° |
| H23 | C16 | H24 | 90.0° | 109.5° |
| O7 | C17 | N7 | 90.0° | 120.0° |
| C17 | N7 | H25 | 90.0° | 120.0° |
| C17 | N7 | H26 | 90.0° | 120.0° |
| H25 | N7 | H26 | 90.0° | 120.0° |
| C18 | N8 | H27 | 90.0° | 120.0° |
| N8 | C18 | C19 | 90.0° | 109.5° |
| N8 | C18 | H28 | 90.0° | 109.5° |
| N8 | C18 | H29 | 90.0° | 109.4° |
| C18 | N8 | C15 | 90.0° | 120.0° |
| H27 | N8 | C15 | 90.0° | 120.0° |
| C19 | C18 | H28 | 90.0° | 109.5° |
| C19 | C18 | H29 | 90.0° | 109.5° |
| C18 | C19 | O8 | 90.0° | 120.0° |
| C18 | C19 | N9 | 90.0° | 120.0° |
| H28 | C18 | H29 | 90.0° | 109.5° |
| O8 | C19 | N9 | 90.0° | 120.0° |
| C20 | N9 | H30 | 129.1° | 120.0° |
| N9 | C20 | C21 | 112.4° | 109.5° |
| N9 | C20 | C22 | 110.0° | 109.4° |
| N9 | C20 | H31 | 108.4° | 109.5° |
| C20 | N9 | C19 | 101.8° | 120.0° |
| H30 | N9 | C19 | 129.1° | 120.0° |
| C21 | C20 | C22 | 110.5° | 109.4° |
| C21 | C20 | H31 | 107.8° | 109.5° |
| C20 | C21 | O9 | 124.1° | 120.0° |
| C20 | C21 | N10 | 113.6° | 120.0° |
| C22 | C20 | H31 | 107.5° | 109.5° |
| C20 | C22 | C23 | 86.2° | 109.5° |
| C20 | C22 | H32 | 114.9° | 109.5° |
| C20 | C22 | H33 | 114.9° | 109.5° |
| O9 | C21 | N10 | 122.4° | 119.9° |
| C23 | C22 | H32 | 114.9° | 109.5° |
| C23 | C22 | H33 | 114.9° | 109.4° |
| C22 | C23 | O10 | 90.0° | 120.0° |
| C22 | C23 | O11 | 90.0° | 120.0° |
| H32 | C22 | H33 | 109.5° | 109.5° |
| O10 | C23 | O11 | 90.0° | 120.1° |
| C23 | O11 | H34 | 90.0° | 117.0° |
| C24 | N10 | H35 | 120.9° | 120.0° |
| N10 | C24 | C25 | 111.6° | 109.5° |
| N10 | C24 | C26 | 107.6° | 109.5° |
| N10 | C24 | H36 | 110.4° | 109.5° |
| C24 | N10 | C21 | 118.2° | 120.0° |
| H35 | N10 | C21 | 120.9° | 120.0° |
| C25 | C24 | C26 | 108.6° | 109.4° |
| C25 | C24 | H36 | 109.4° | 109.5° |
| C24 | C25 | O12 | 122.5° | 120.0° |
| C24 | C25 | N11 | 116.8° | 120.0° |
| C26 | C24 | H36 | 109.2° | 109.5° |
| C24 | C26 | C27 | 112.5° | 109.4° |
| C24 | C26 | H37 | 108.7° | 109.5° |
| C24 | C26 | H38 | 108.7° | 109.5° |
| O12 | C25 | N11 | 120.7° | 119.9° |
| C27 | C26 | H37 | 108.7° | 109.5° |
| C27 | C26 | H38 | 108.7° | 109.4° |
| C26 | C27 | C28 | 121.6° | 120.0° |
| C26 | C27 | C29 | 120.5° | 120.0° |
| H37 | C26 | H38 | 109.5° | 109.5° |
| C28 | C27 | C29 | 118.0° | 120.0° |
| C27 | C28 | C30 | 121.6° | 120.0° |
| C27 | C28 | H39 | 119.2° | 120.0° |
| C27 | C29 | C31 | 121.1° | 120.0° |
| C27 | C29 | H40 | 119.4° | 120.0° |
| C30 | C28 | H39 | 119.2° | 120.0° |
| C28 | C30 | C32 | 119.0° | 120.0° |
| C28 | C30 | H41 | 120.5° | 120.0° |
| C31 | C29 | H40 | 119.4° | 120.0° |
| C29 | C31 | C32 | 119.9° | 120.0° |
| C29 | C31 | H42 | 120.0° | 120.0° |
| C32 | C30 | H41 | 120.5° | 120.0° |
| C30 | C32 | C31 | 120.3° | 120.0° |
| C30 | C32 | H43 | 119.8° | 120.0° |
| C32 | C31 | H42 | 120.0° | 120.0° |
| C31 | C32 | H43 | 119.8° | 120.0° |
| C33 | N11 | H44 | 119.7° | 120.0° |
| N11 | C33 | C34 | 109.6° | 109.5° |
| N11 | C33 | C35 | 108.3° | 109.4° |
| N11 | C33 | H45 | 109.5° | 109.4° |
| C33 | N11 | C25 | 120.5° | 120.0° |
| H44 | N11 | C25 | 119.8° | 120.0° |
| C34 | C33 | C35 | 112.3° | 109.5° |
| C34 | C33 | H45 | 108.7° | 109.5° |
| C33 | C34 | O13 | 120.8° | 120.0° |
| C33 | C34 | N12 | 117.4° | 120.0° |
| C35 | C33 | H45 | 108.5° | 109.5° |
| C33 | C35 | C36 | 111.5° | 109.5° |
| C33 | C35 | H46 | 108.9° | 109.5° |
| C33 | C35 | H47 | 108.9° | 109.4° |
| O13 | C34 | N12 | 121.7° | 120.0° |
| C36 | C35 | H46 | 108.9° | 109.4° |
| C36 | C35 | H47 | 109.0° | 109.5° |
| C35 | C36 | C37 | 110.1° | 109.5° |
| C35 | C36 | H48 | 109.3° | 109.5° |
| C35 | C36 | H49 | 109.3° | 109.5° |
| H46 | C35 | H47 | 109.5° | 109.5° |
| C37 | C36 | H48 | 109.3° | 109.4° |
| C37 | C36 | H49 | 109.3° | 109.5° |
| C36 | C37 | O14 | 119.0° | 120.0° |
| C36 | C37 | O15 | 116.8° | 120.0° |
| H48 | C36 | H49 | 109.5° | 109.5° |
| O14 | C37 | O15 | 124.2° | 120.0° |
| C37 | O15 | H50 | 109.5° | 116.9° |
| C38 | N12 | H51 | 119.6° | 120.0° |
| N12 | C38 | C39 | 111.3° | 109.5° |
| N12 | C38 | C40 | 108.7° | 109.5° |
| N12 | C38 | H52 | 108.9° | 109.5° |
| C38 | N12 | C34 | 120.7° | 120.0° |
| H51 | N12 | C34 | 119.7° | 120.0° |
| C39 | C38 | C40 | 111.6° | 109.5° |
| C39 | C38 | H52 | 108.2° | 109.5° |
| C38 | C39 | O16 | 122.7° | 120.0° |
| C38 | C39 | N13 | 115.7° | 120.0° |
| C40 | C38 | H52 | 108.0° | 109.5° |
| C38 | C40 | C41 | 116.1° | 109.5° |
| C38 | C40 | H53 | 107.8° | 109.5° |
| C38 | C40 | H54 | 107.8° | 109.5° |
| O16 | C39 | N13 | 121.6° | 120.0° |
| C41 | C40 | H53 | 107.8° | 109.5° |
| C41 | C40 | H54 | 107.8° | 109.5° |
| C40 | C41 | C42 | 113.9° | 109.5° |
| C40 | C41 | H55 | 108.4° | 109.5° |
| C40 | C41 | H56 | 108.3° | 109.5° |
| H53 | C40 | H54 | 109.5° | 109.5° |
| C42 | C41 | H55 | 108.4° | 109.5° |
| C42 | C41 | H56 | 108.4° | 109.5° |
| C41 | C42 | O17 | 121.3° | 120.1° |
| C41 | C42 | O18 | 117.3° | 120.0° |
| H55 | C41 | H56 | 109.5° | 109.4° |
| O17 | C42 | O18 | 121.4° | 120.0° |
| C42 | O18 | H57 | 109.5° | 117.0° |
| C43 | N13 | H58 | 119.5° | 120.1° |
| N13 | C43 | C44 | 105.7° | 109.5° |
| N13 | C43 | C45 | 113.5° | 109.5° |
| N13 | C43 | H59 | 109.0° | 109.5° |
| C43 | N13 | C39 | 121.1° | 120.0° |
| H58 | N13 | C39 | 119.5° | 119.9° |
| C44 | C43 | C45 | 112.3° | 109.4° |
| C44 | C43 | H59 | 108.1° | 109.4° |
| C43 | C44 | O19 | 121.2° | 120.0° |
| C43 | C44 | N14 | 116.7° | 120.1° |
| C45 | C43 | H59 | 108.0° | 109.5° |
| C43 | C45 | C46 | 112.4° | 109.5° |
| C43 | C45 | C47 | 111.7° | 109.4° |
| C43 | C45 | H60 | 106.9° | 109.5° |
| O19 | C44 | N14 | 122.1° | 120.0° |
| C46 | C45 | C47 | 111.4° | 109.5° |
| C46 | C45 | H60 | 107.1° | 109.5° |
| C45 | C46 | C48 | 110.6° | 109.5° |
| C45 | C46 | H61 | 109.2° | 109.5° |
| C45 | C46 | H62 | 109.2° | 109.5° |
| C47 | C45 | H60 | 107.0° | 109.5° |
| C45 | C47 | H63 | 109.5° | 109.5° |
| C45 | C47 | H64 | 109.5° | 109.5° |
| C45 | C47 | H65 | 109.4° | 109.5° |
| C48 | C46 | H61 | 109.2° | 109.5° |
| C48 | C46 | H62 | 109.2° | 109.5° |
| C46 | C48 | H66 | 109.5° | 109.4° |
| C46 | C48 | H67 | 109.4° | 109.5° |
| C46 | C48 | H68 | 109.5° | 109.5° |
| H61 | C46 | H62 | 109.5° | 109.4° |
| H63 | C47 | H64 | 109.5° | 109.5° |
| H63 | C47 | H65 | 109.5° | 109.5° |
| H64 | C47 | H65 | 109.5° | 109.4° |
| H66 | C48 | H67 | 109.5° | 109.5° |
| H66 | C48 | H68 | 109.4° | 109.4° |
| H67 | C48 | H68 | 109.5° | 109.5° |
| C49 | N14 | C53 | 113.4° | 108.7° |
| N14 | C49 | C50 | 112.7° | 109.9° |
| N14 | C49 | C51 | 101.5° | 107.3° |
| N14 | C49 | H69 | 110.2° | 109.9° |
| C49 | N14 | C44 | 118.6° | 125.7° |
| N14 | C53 | C52 | 102.0° | 104.7° |
| N14 | C53 | H74 | 111.3° | 110.4° |
| N14 | C53 | H75 | 111.3° | 110.3° |
| C53 | N14 | C44 | 127.9° | 125.6° |
| C50 | C49 | C51 | 113.2° | 109.8° |
| C50 | C49 | H69 | 109.6° | 109.9° |
| C49 | C50 | O20 | 120.8° | 120.0° |
| C49 | C50 | N15 | 116.8° | 120.0° |
| C51 | C49 | H69 | 109.4° | 110.0° |
| C49 | C51 | C52 | 104.6° | 102.9° |
| C49 | C51 | H70 | 110.7° | 110.7° |
| C49 | C51 | H71 | 110.7° | 110.7° |
| O20 | C50 | N15 | 122.4° | 120.0° |
| C52 | C51 | H70 | 110.7° | 110.7° |
| C52 | C51 | H71 | 110.7° | 110.7° |
| C51 | C52 | C53 | 104.2° | 101.5° |
| C51 | C52 | H72 | 110.8° | 111.0° |
| C51 | C52 | H73 | 110.8° | 111.0° |
| H70 | C51 | H71 | 109.4° | 110.8° |
| C53 | C52 | H72 | 110.8° | 111.2° |
| C53 | C52 | H73 | 110.8° | 110.9° |
| C52 | C53 | H74 | 111.3° | 110.5° |
| C52 | C53 | H75 | 111.3° | 110.4° |
| H72 | C52 | H73 | 109.5° | 110.9° |
| H74 | C53 | H75 | 109.5° | 110.4° |
| C54 | N15 | H76 | 120.5° | 120.0° |
| N15 | C54 | C55 | 112.5° | 109.5° |
| N15 | C54 | C56 | 106.5° | 109.5° |
| N15 | C54 | H77 | 107.4° | 109.5° |
| C54 | N15 | C50 | 119.0° | 120.0° |
| H76 | N15 | C50 | 120.5° | 120.0° |
| C55 | C54 | C56 | 116.3° | 109.4° |
| C55 | C54 | H77 | 107.0° | 109.4° |
| C54 | C55 | O21 | 122.6° | 120.0° |
| C54 | C55 | N16 | 119.2° | 120.1° |
| C56 | C54 | H77 | 106.7° | 109.5° |
| C54 | C56 | C57 | 112.6° | 109.5° |
| C54 | C56 | H78 | 108.7° | 109.5° |
| C54 | C56 | H79 | 108.7° | 109.5° |
| O21 | C55 | N16 | 118.2° | 120.0° |
| C57 | C56 | H78 | 108.7° | 109.5° |
| C57 | C56 | H79 | 108.7° | 109.5° |
| C56 | C57 | C58 | 115.9° | 109.5° |
| C56 | C57 | H80 | 107.8° | 109.4° |
| C56 | C57 | H81 | 107.8° | 109.5° |
| H78 | C56 | H79 | 109.5° | 109.5° |
| C58 | C57 | H80 | 107.8° | 109.5° |
| C58 | C57 | H81 | 107.8° | 109.5° |
| C57 | C58 | O22 | 127.2° | 120.0° |
| C57 | C58 | O23 | 111.5° | 119.9° |
| H80 | C57 | H81 | 109.5° | 109.5° |
| O22 | C58 | O23 | 121.2° | 120.0° |
| C58 | O23 | H82 | 109.5° | 116.9° |
| C59 | N16 | H83 | 119.6° | 120.0° |
| N16 | C59 | C60 | 112.8° | 109.5° |
| N16 | C59 | C61 | 112.7° | 109.4° |
| N16 | C59 | H84 | 108.5° | 109.5° |
| C59 | N16 | C55 | 120.9° | 120.0° |
| H83 | N16 | C55 | 119.5° | 120.0° |
| C60 | C59 | C61 | 107.1° | 109.4° |
| C60 | C59 | H84 | 107.8° | 109.5° |
| C59 | C60 | O24 | 117.7° | 120.0° |
| C59 | C60 | N17 | 116.6° | 120.0° |
| C61 | C59 | H84 | 107.6° | 109.4° |
| C59 | C61 | C62 | 116.6° | 109.5° |
| C59 | C61 | H85 | 107.7° | 109.5° |
| C59 | C61 | H86 | 107.7° | 109.5° |
| O24 | C60 | N17 | 125.6° | 120.0° |
| C62 | C61 | H85 | 107.6° | 109.5° |
| C62 | C61 | H86 | 107.6° | 109.4° |
| C61 | C62 | C63 | 53.1° | 109.5° |
| C61 | C62 | H87 | 121.1° | 109.5° |
| C61 | C62 | H88 | 121.1° | 109.5° |
| H85 | C61 | H86 | 109.5° | 109.4° |
| C63 | C62 | H87 | 121.1° | 109.5° |
| C63 | C62 | H88 | 121.1° | 109.5° |
| C62 | C63 | O25 | 90.0° | 120.0° |
| C62 | C63 | O26 | 90.0° | 120.0° |
| H87 | C62 | H88 | 109.5° | 109.5° |
| O25 | C63 | O26 | 90.0° | 120.0° |
| C63 | O26 | H89 | 90.0° | 117.0° |
| C64 | N17 | H90 | 120.2° | 120.0° |
| N17 | C64 | C65 | 109.9° | 109.5° |
| N17 | C64 | C66 | 110.0° | 109.5° |
| N17 | C64 | H91 | 109.2° | 109.5° |
| C64 | N17 | C60 | 119.5° | 120.0° |
| H90 | N17 | C60 | 120.3° | 120.0° |
| C65 | C64 | C66 | 110.6° | 109.5° |
| C65 | C64 | H91 | 108.6° | 109.5° |
| C64 | C65 | O27 | 118.3° | 119.9° |
| C64 | C65 | N18 | 117.4° | 120.0° |
| C66 | C64 | H91 | 108.4° | 109.4° |
| C64 | C66 | C67 | 109.6° | 109.5° |
| C64 | C66 | H92 | 109.4° | 109.4° |
| C64 | C66 | H93 | 109.5° | 109.4° |
| O27 | C65 | N18 | 124.2° | 120.0° |
| C67 | C66 | H92 | 109.5° | 109.5° |
| C67 | C66 | H93 | 109.4° | 109.5° |
| C66 | C67 | C68 | 123.4° | 119.9° |
| C66 | C67 | C69 | 117.9° | 120.0° |
| H92 | C66 | H93 | 109.4° | 109.4° |
| C68 | C67 | C69 | 118.7° | 120.1° |
| C67 | C68 | C70 | 118.5° | 120.1° |
| C67 | C68 | H94 | 120.7° | 120.0° |
| C67 | C69 | C71 | 122.4° | 120.1° |
| C67 | C69 | H95 | 118.8° | 120.0° |
| C70 | C68 | H94 | 120.8° | 120.0° |
| C68 | C70 | C72 | 121.9° | 119.9° |
| C68 | C70 | H96 | 119.1° | 120.0° |
| C71 | C69 | H95 | 118.8° | 119.9° |
| C69 | C71 | C72 | 118.9° | 119.9° |
| C69 | C71 | H97 | 120.6° | 120.1° |
| C72 | C70 | H96 | 119.1° | 120.1° |
| C70 | C72 | C71 | 119.6° | 119.9° |
| C70 | C72 | O28 | 122.4° | 120.0° |
| C72 | C71 | H97 | 120.6° | 120.0° |
| C71 | C72 | O28 | 117.9° | 120.1° |
| C72 | O28 | H98 | 109.5° | 114.0° |
| C73 | N18 | H99 | 119.9° | 120.1° |
| N18 | C73 | C74 | 77.0° | 109.4° |
| N18 | C73 | C75 | 108.4° | 109.4° |
| N18 | C73 | H100 | 108.9° | 109.5° |
| C73 | N18 | C65 | 120.2° | 120.0° |
| H99 | N18 | C65 | 119.9° | 120.0° |
| C74 | C73 | C75 | 156.5° | 109.5° |
| C74 | C73 | H100 | 91.3° | 109.5° |
| C73 | C74 | O29 | 90.0° | 120.1° |
| C73 | C74 | O30 | 90.0° | 120.0° |
| C75 | C73 | H100 | 107.8° | 109.5° |
| C73 | C75 | C76 | 22.0° | 109.5° |
| C73 | C75 | H101 | 124.5° | 109.5° |
| C73 | C75 | H102 | 124.5° | 109.5° |
| O29 | C74 | O30 | 90.0° | 120.0° |
| C74 | O30 | H110 | 90.0° | 117.0° |
| C76 | C75 | H101 | 124.5° | 109.4° |
| C76 | C75 | H102 | 124.5° | 109.4° |
| C75 | C76 | C77 | 90.0° | 109.5° |
| C75 | C76 | C78 | 90.0° | 109.5° |
| C75 | C76 | H103 | 90.0° | 109.4° |
| H101 | C75 | H102 | 109.5° | 109.5° |
| C77 | C76 | C78 | 90.0° | 109.5° |
| C77 | C76 | H103 | 90.0° | 109.5° |
| C76 | C77 | H104 | 90.0° | 109.4° |
| C76 | C77 | H105 | 90.0° | 109.5° |
| C76 | C77 | H106 | 90.0° | 109.4° |
| C78 | C76 | H103 | 90.0° | 109.5° |
| C76 | C78 | H107 | 90.0° | 109.5° |
| C76 | C78 | H108 | 90.0° | 109.4° |
| C76 | C78 | H109 | 90.0° | 109.5° |
| H104 | C77 | H105 | 90.0° | 109.5° |
| H104 | C77 | H106 | 90.0° | 109.5° |
| H105 | C77 | H106 | 90.0° | 109.5° |
| H107 | C78 | H108 | 90.0° | 109.4° |
| H107 | C78 | H109 | 90.0° | 109.5° |
| H108 | C78 | H109 | 90.0° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | N1 | C5 | H1 | 90.0° | 122.3° |
| N1 | C1 | C2 | C3 | 90.0° | 117.7° |
| N1 | C1 | C2 | H2 | 90.0° | 121.0° |
| N1 | C1 | C3 | H2 | 90.0° | 119.5° |
| N1 | C1 | C2 | O1 | 90.0° | 18.5° |
| N1 | C1 | C3 | C4 | 90.0° | 22.3° |
| N1 | C1 | C3 | H3 | 90.0° | 140.7° |
| N1 | C1 | C3 | H4 | 90.0° | 96.1° |
| C1 | N1 | C5 | C4 | 90.0° | 24.1° |
| C1 | N1 | C5 | H7 | 90.0° | 94.7° |
| C1 | N1 | C5 | H8 | 90.0° | 142.9° |
| N1 | C1 | C2 | N2 | 90.0° | 161.5° |
| C5 | N1 | C1 | C2 | 90.0° | 118.4° |
| C5 | N1 | C1 | C3 | 90.0° | 1.0° |
| C5 | N1 | C1 | H2 | 90.0° | 120.6° |
| N1 | C5 | C4 | C3 | 90.0° | 37.1° |
| N1 | C5 | C4 | H7 | 90.0° | 118.8° |
| N1 | C5 | C4 | H8 | 90.0° | 118.8° |
| N1 | C5 | C4 | H5 | 90.0° | 81.0° |
| N1 | C5 | C4 | H6 | 90.0° | 155.2° |
| N1 | C5 | H7 | H8 | 90.0° | 122.3° |
| H1 | N1 | C1 | C2 | 90.0° | 3.9° |
| H1 | N1 | C1 | C3 | 90.0° | 123.3° |
| H1 | N1 | C1 | H2 | 90.0° | 117.2° |
| H1 | N1 | C5 | C4 | 90.0° | 146.4° |
| H1 | N1 | C5 | H7 | 90.0° | 27.6° |
| H1 | N1 | C5 | H8 | 90.0° | 94.8° |
| C2 | C1 | C3 | H2 | 90.0° | 121.2° |
| C1 | C2 | O1 | N2 | 90.0° | 180.0° |
| C2 | C1 | C3 | C4 | 90.0° | 141.7° |
| C2 | C1 | C3 | H3 | 90.0° | 100.0° |
| C2 | C1 | C3 | H4 | 90.0° | 23.3° |
| C1 | C2 | N2 | C6 | 90.0° | 180.0° |
| C1 | C2 | N2 | H9 | 90.0° | 0.0° |
| C3 | C1 | C2 | O1 | 90.0° | 99.2° |
| C1 | C3 | C4 | H3 | 90.0° | 118.3° |
| C1 | C3 | C4 | H4 | 90.0° | 118.4° |
| C1 | C3 | H3 | H4 | 90.0° | 123.2° |
| C1 | C3 | C4 | C5 | 90.0° | 35.7° |
| C1 | C3 | C4 | H5 | 90.0° | 82.4° |
| C1 | C3 | C4 | H6 | 90.0° | 153.8° |
| C3 | C1 | C2 | N2 | 90.0° | 80.8° |
| H2 | C1 | C2 | O1 | 90.0° | 139.6° |
| H2 | C1 | C3 | C4 | 90.0° | 97.1° |
| H2 | C1 | C3 | H3 | 90.0° | 21.2° |
| H2 | C1 | C3 | H4 | 90.0° | 144.4° |
| H2 | C1 | C2 | N2 | 90.0° | 40.4° |
| O1 | C2 | N2 | C6 | 90.0° | 0.0° |
| O1 | C2 | N2 | H9 | 90.0° | 180.0° |
| C4 | C3 | H3 | H4 | 90.0° | 123.2° |
| C3 | C4 | C5 | H5 | 90.0° | 118.1° |
| C3 | C4 | C5 | H6 | 90.0° | 118.1° |
| C3 | C4 | H5 | H6 | 90.0° | 123.9° |
| C3 | C4 | C5 | H7 | 90.0° | 81.7° |
| C3 | C4 | C5 | H8 | 90.0° | 155.9° |
| H3 | C3 | C4 | C5 | 90.0° | 154.0° |
| H3 | C3 | C4 | H5 | 90.0° | 35.9° |
| H3 | C3 | C4 | H6 | 90.0° | 87.9° |
| H4 | C3 | C4 | C5 | 90.0° | 82.7° |
| H4 | C3 | C4 | H5 | 90.0° | 159.2° |
| H4 | C3 | C4 | H6 | 90.0° | 35.3° |
| C5 | C4 | H5 | H6 | 90.0° | 123.8° |
| C4 | C5 | H7 | H8 | 90.0° | 122.3° |
| H5 | C4 | C5 | H7 | 90.0° | 160.1° |
| H5 | C4 | C5 | H8 | 90.0° | 37.8° |
| H6 | C4 | C5 | H7 | 90.0° | 36.3° |
| H6 | C4 | C5 | H8 | 90.0° | 86.0° |
| C6 | N2 | H9 | C2 | 90.0° | 180.0° |
| N2 | C6 | C7 | H10 | 90.0° | 120.1° |
| N2 | C6 | C7 | H11 | 90.0° | 120.0° |
| N2 | C6 | H10 | H11 | 90.0° | 120.0° |
| N2 | C6 | C7 | O2 | 90.0° | 0.0° |
| N2 | C6 | C7 | N3 | 90.0° | 180.0° |
| H9 | N2 | C6 | C7 | 90.0° | 0.0° |
| H9 | N2 | C6 | H10 | 90.0° | 120.0° |
| H9 | N2 | C6 | H11 | 90.0° | 120.0° |
| C7 | C6 | H10 | H11 | 90.0° | 119.9° |
| C6 | C7 | O2 | N3 | 90.0° | 180.0° |
| C6 | C7 | N3 | C8 | 90.0° | 180.0° |
| C6 | C7 | N3 | H12 | 90.0° | 0.0° |
| C7 | C6 | N2 | C2 | 90.0° | 180.0° |
| H10 | C6 | C7 | O2 | 90.0° | 120.0° |
| H10 | C6 | N2 | C2 | 90.0° | 60.0° |
| H10 | C6 | C7 | N3 | 90.0° | 60.0° |
| H11 | C6 | C7 | O2 | 90.0° | 120.0° |
| H11 | C6 | N2 | C2 | 90.0° | 60.0° |
| H11 | C6 | C7 | N3 | 90.0° | 60.0° |
| O2 | C7 | N3 | C8 | 90.0° | 0.1° |
| O2 | C7 | N3 | H12 | 90.0° | 180.0° |
| C8 | N3 | H12 | C7 | 90.0° | 179.9° |
| N3 | C8 | C9 | H13 | 90.0° | 120.0° |
| N3 | C8 | C9 | H14 | 90.0° | 120.0° |
| N3 | C8 | H13 | H14 | 90.0° | 120.0° |
| N3 | C8 | C9 | O3 | 90.0° | 0.0° |
| N3 | C8 | C9 | N4 | 90.0° | 179.9° |
| H12 | N3 | C8 | C9 | 90.0° | 0.0° |
| H12 | N3 | C8 | H13 | 90.0° | 120.0° |
| H12 | N3 | C8 | H14 | 90.0° | 120.0° |
| C9 | C8 | H13 | H14 | 90.0° | 120.0° |
| C8 | C9 | O3 | N4 | 90.0° | 180.0° |
| C8 | C9 | N4 | C10 | 90.0° | 180.0° |
| C8 | C9 | N4 | H15 | 90.0° | 0.1° |
| C9 | C8 | N3 | C7 | 90.0° | 180.0° |
| H13 | C8 | C9 | O3 | 90.0° | 120.0° |
| H13 | C8 | N3 | C7 | 90.0° | 60.0° |
| H13 | C8 | C9 | N4 | 90.0° | 60.0° |
| H14 | C8 | C9 | O3 | 90.0° | 120.0° |
| H14 | C8 | N3 | C7 | 90.0° | 60.0° |
| H14 | C8 | C9 | N4 | 90.0° | 60.1° |
| O3 | C9 | N4 | C10 | 90.0° | 0.1° |
| O3 | C9 | N4 | H15 | 90.0° | 180.0° |
| C10 | N4 | H15 | C9 | 90.0° | 179.9° |
| N4 | C10 | C11 | H16 | 90.0° | 120.0° |
| N4 | C10 | C11 | H17 | 90.0° | 119.9° |
| N4 | C10 | H16 | H17 | 90.0° | 119.9° |
| N4 | C10 | C11 | O4 | 90.0° | 0.0° |
| N4 | C10 | C11 | N5 | 90.0° | 179.9° |
| H15 | N4 | C10 | C11 | 90.0° | 0.1° |
| H15 | N4 | C10 | H16 | 90.0° | 120.0° |
| H15 | N4 | C10 | H17 | 90.0° | 120.1° |
| C11 | C10 | H16 | H17 | 90.0° | 120.1° |
| C10 | C11 | O4 | N5 | 90.0° | 180.0° |
| C10 | C11 | N5 | C12 | 90.0° | 180.0° |
| C10 | C11 | N5 | H18 | 90.0° | 0.0° |
| C11 | C10 | N4 | C9 | 90.0° | 180.0° |
| H16 | C10 | C11 | O4 | 90.0° | 120.0° |
| H16 | C10 | N4 | C9 | 90.0° | 59.9° |
| H16 | C10 | C11 | N5 | 90.0° | 60.0° |
| H17 | C10 | C11 | O4 | 90.0° | 120.0° |
| H17 | C10 | N4 | C9 | 90.0° | 60.0° |
| H17 | C10 | C11 | N5 | 90.0° | 60.0° |
| O4 | C11 | N5 | C12 | 90.0° | 0.1° |
| O4 | C11 | N5 | H18 | 90.0° | 180.0° |
| C12 | N5 | H18 | C11 | 90.0° | 179.9° |
| N5 | C12 | C13 | H19 | 90.0° | 120.0° |
| N5 | C12 | C13 | H20 | 90.0° | 120.0° |
| N5 | C12 | H19 | H20 | 90.0° | 120.0° |
| N5 | C12 | C13 | O5 | 90.0° | 0.0° |
| N5 | C12 | C13 | N6 | 90.0° | 179.9° |
| H18 | N5 | C12 | C13 | 90.0° | 0.0° |
| H18 | N5 | C12 | H19 | 90.0° | 120.0° |
| H18 | N5 | C12 | H20 | 90.0° | 120.0° |
| C13 | C12 | H19 | H20 | 90.0° | 120.0° |
| C12 | C13 | O5 | N6 | 90.0° | 180.0° |
| C12 | C13 | N6 | C14 | 90.0° | 175.0° |
| C12 | C13 | N6 | H21 | 90.0° | 4.9° |
| C13 | C12 | N5 | C11 | 90.0° | 180.0° |
| H19 | C12 | C13 | O5 | 90.0° | 120.0° |
| H19 | C12 | N5 | C11 | 90.0° | 60.0° |
| H19 | C12 | C13 | N6 | 90.0° | 60.0° |
| H20 | C12 | C13 | O5 | 90.0° | 120.0° |
| H20 | C12 | N5 | C11 | 90.0° | 60.0° |
| H20 | C12 | C13 | N6 | 90.0° | 60.1° |
| O5 | C13 | N6 | C14 | 90.0° | 5.0° |
| O5 | C13 | N6 | H21 | 90.0° | 175.1° |
| C14 | N6 | H21 | C13 | 90.0° | 179.9° |
| N6 | C14 | C15 | C16 | 90.0° | 120.0° |
| N6 | C14 | C15 | H22 | 90.0° | 120.0° |
| N6 | C14 | C16 | H22 | 90.0° | 120.0° |
| N6 | C14 | C15 | O6 | 90.0° | 0.0° |
| N6 | C14 | C16 | C17 | 90.0° | 63.1° |
| N6 | C14 | C16 | H23 | 90.0° | 177.0° |
| N6 | C14 | C16 | H24 | 90.0° | 57.0° |
| N6 | C14 | C15 | N8 | 90.0° | 180.0° |
| H21 | N6 | C14 | C15 | 90.0° | 92.5° |
| H21 | N6 | C14 | C16 | 90.0° | 27.5° |
| H21 | N6 | C14 | H22 | 90.0° | 147.5° |
| C15 | C14 | C16 | H22 | 90.0° | 120.1° |
| C14 | C15 | O6 | N8 | 90.0° | 180.0° |
| C15 | C14 | C16 | C17 | 90.0° | 177.0° |
| C15 | C14 | C16 | H23 | 90.0° | 57.0° |
| C15 | C14 | C16 | H24 | 90.0° | 63.0° |
| C14 | C15 | N8 | C18 | 90.0° | 180.0° |
| C14 | C15 | N8 | H27 | 90.0° | 0.1° |
| C15 | C14 | N6 | C13 | 90.0° | 87.6° |
| C16 | C14 | C15 | O6 | 90.0° | 120.0° |
| C14 | C16 | C17 | H23 | 90.0° | 119.9° |
| C14 | C16 | C17 | H24 | 90.0° | 120.0° |
| C14 | C16 | H23 | H24 | 90.0° | 120.0° |
| C14 | C16 | C17 | O7 | 90.0° | 4.6° |
| C14 | C16 | C17 | N7 | 90.0° | 175.4° |
| C16 | C14 | N6 | C13 | 90.0° | 152.4° |
| C16 | C14 | C15 | N8 | 90.0° | 60.0° |
| H22 | C14 | C15 | O6 | 90.0° | 120.0° |
| H22 | C14 | C16 | C17 | 90.0° | 56.9° |
| H22 | C14 | C16 | H23 | 90.0° | 63.1° |
| H22 | C14 | C16 | H24 | 90.0° | 176.9° |
| H22 | C14 | N6 | C13 | 90.0° | 32.4° |
| H22 | C14 | C15 | N8 | 90.0° | 60.0° |
| O6 | C15 | N8 | C18 | 90.0° | 0.1° |
| O6 | C15 | N8 | H27 | 90.0° | 180.0° |
| C17 | C16 | H23 | H24 | 90.0° | 120.0° |
| C16 | C17 | O7 | N7 | 90.0° | 180.0° |
| C16 | C17 | N7 | H25 | 90.0° | 0.0° |
| C16 | C17 | N7 | H26 | 90.0° | 180.0° |
| H23 | C16 | C17 | O7 | 90.0° | 124.6° |
| H23 | C16 | C17 | N7 | 90.0° | 55.4° |
| H24 | C16 | C17 | O7 | 90.0° | 115.4° |
| H24 | C16 | C17 | N7 | 90.0° | 64.6° |
| O7 | C17 | N7 | H25 | 90.0° | 180.0° |
| O7 | C17 | N7 | H26 | 90.0° | 0.1° |
| C17 | N7 | H25 | H26 | 90.0° | 179.9° |
| C18 | N8 | H27 | C15 | 90.0° | 179.9° |
| N8 | C18 | C19 | H28 | 90.0° | 120.0° |
| N8 | C18 | C19 | H29 | 90.0° | 120.0° |
| N8 | C18 | H28 | H29 | 90.0° | 119.9° |
| N8 | C18 | C19 | O8 | 90.0° | 0.0° |
| N8 | C18 | C19 | N9 | 90.0° | 179.9° |
| H27 | N8 | C18 | C19 | 90.0° | 0.1° |
| H27 | N8 | C18 | H28 | 90.0° | 120.0° |
| H27 | N8 | C18 | H29 | 90.0° | 120.1° |
| C19 | C18 | H28 | H29 | 90.0° | 120.1° |
| C18 | C19 | O8 | N9 | 90.0° | 179.9° |
| C18 | C19 | N9 | C20 | 90.0° | 176.6° |
| C18 | C19 | N9 | H30 | 90.0° | 3.4° |
| C19 | C18 | N8 | C15 | 90.0° | 180.0° |
| H28 | C18 | C19 | O8 | 90.0° | 120.0° |
| H28 | C18 | N8 | C15 | 90.0° | 59.9° |
| H28 | C18 | C19 | N9 | 90.0° | 60.0° |
| H29 | C18 | C19 | O8 | 90.0° | 120.0° |
| H29 | C18 | N8 | C15 | 90.0° | 60.0° |
| H29 | C18 | C19 | N9 | 90.0° | 60.0° |
| O8 | C19 | N9 | C20 | 90.0° | 3.5° |
| O8 | C19 | N9 | H30 | 90.0° | 176.5° |
| C20 | N9 | H30 | C19 | 180.0° | 180.0° |
| N9 | C20 | C21 | C22 | 123.4° | 120.0° |
| N9 | C20 | C21 | H31 | 119.4° | 120.1° |
| N9 | C20 | C22 | H31 | 117.9° | 120.0° |
| N9 | C20 | C21 | O9 | 128.1° | 0.0° |
| N9 | C20 | C22 | C23 | 75.7° | 65.9° |
| N9 | C20 | C22 | H32 | 168.6° | 54.1° |
| N9 | C20 | C22 | H33 | 40.1° | 174.2° |
| N9 | C20 | C21 | N10 | 51.1° | 180.0° |
| H30 | N9 | C20 | C21 | 142.8° | 77.5° |
| H30 | N9 | C20 | C22 | 93.6° | 42.4° |
| H30 | N9 | C20 | H31 | 23.7° | 162.4° |
| C21 | C20 | C22 | H31 | 117.4° | 120.0° |
| C20 | C21 | O9 | N10 | 179.1° | 180.0° |
| C21 | C20 | C22 | C23 | 49.1° | 174.1° |
| C21 | C20 | C22 | H32 | 66.7° | 65.9° |
| C21 | C20 | C22 | H33 | 164.9° | 54.2° |
| C20 | C21 | N10 | C24 | 170.1° | 180.0° |
| C20 | C21 | N10 | H35 | 9.9° | 0.0° |
| C21 | C20 | N9 | C19 | 37.2° | 102.5° |
| C22 | C20 | C21 | O9 | 108.5° | 120.0° |
| C20 | C22 | C23 | H32 | 115.8° | 120.0° |
| C20 | C22 | C23 | H33 | 115.8° | 120.0° |
| C20 | C22 | H32 | H33 | 131.1° | 120.0° |
| C20 | C22 | C23 | O10 | 90.0° | 4.3° |
| C20 | C22 | C23 | O11 | 90.0° | 175.7° |
| C22 | C20 | N9 | C19 | 86.4° | 137.5° |
| C22 | C20 | C21 | N10 | 72.3° | 60.0° |
| H31 | C20 | C21 | O9 | 8.7° | 120.0° |
| H31 | C20 | C22 | C23 | 166.5° | 54.1° |
| H31 | C20 | C22 | H32 | 50.7° | 174.1° |
| H31 | C20 | C22 | H33 | 77.7° | 65.8° |
| H31 | C20 | N9 | C19 | 156.3° | 17.6° |
| H31 | C20 | C21 | N10 | 170.5° | 59.9° |
| O9 | C21 | N10 | C24 | 9.1° | 0.0° |
| O9 | C21 | N10 | H35 | 170.9° | 180.0° |
| C23 | C22 | H32 | H33 | 131.1° | 120.0° |
| C22 | C23 | O10 | O11 | 90.0° | 180.0° |
| C22 | C23 | O11 | H34 | 90.0° | 180.0° |
| H32 | C22 | C23 | O10 | 90.0° | 115.7° |
| H32 | C22 | C23 | O11 | 90.0° | 64.3° |
| H33 | C22 | C23 | O10 | 90.0° | 124.2° |
| H33 | C22 | C23 | O11 | 90.0° | 55.7° |
| O10 | C23 | O11 | H34 | 90.0° | 0.0° |
| C24 | N10 | H35 | C21 | 180.0° | 180.0° |
| N10 | C24 | C25 | C26 | 118.4° | 120.0° |
| N10 | C24 | C25 | H36 | 122.5° | 120.0° |
| N10 | C24 | C26 | H36 | 119.8° | 120.0° |
| N10 | C24 | C25 | O12 | 46.1° | 0.0° |
| N10 | C24 | C26 | C27 | 69.1° | 65.0° |
| N10 | C24 | C26 | H37 | 51.4° | 55.0° |
| N10 | C24 | C26 | H38 | 170.5° | 175.0° |
| N10 | C24 | C25 | N11 | 136.5° | 180.0° |
| H35 | N10 | C24 | C25 | 91.1° | 25.0° |
| H35 | N10 | C24 | C26 | 27.9° | 95.0° |
| H35 | N10 | C24 | H36 | 147.0° | 145.0° |
| C25 | C24 | C26 | H36 | 119.2° | 120.0° |
| C24 | C25 | O12 | N11 | 177.3° | 179.9° |
| C25 | C24 | C26 | C27 | 170.0° | 175.0° |
| C25 | C24 | C26 | H37 | 69.6° | 65.0° |
| C25 | C24 | C26 | H38 | 49.6° | 55.1° |
| C24 | C25 | N11 | C33 | 173.4° | 180.0° |
| C24 | C25 | N11 | H44 | 6.6° | 0.0° |
| C25 | C24 | N10 | C21 | 88.9° | 155.0° |
| C26 | C24 | C25 | O12 | 72.3° | 120.0° |
| C24 | C26 | C27 | H37 | 120.4° | 120.0° |
| C24 | C26 | C27 | H38 | 120.5° | 120.0° |
| C24 | C26 | H37 | H38 | 118.6° | 120.1° |
| C24 | C26 | C27 | C28 | 91.1° | 90.0° |
| C24 | C26 | C27 | C29 | 89.6° | 90.3° |
| C26 | C24 | N10 | C21 | 152.1° | 85.0° |
| C26 | C24 | C25 | N11 | 105.1° | 60.0° |
| H36 | C24 | C25 | O12 | 168.6° | 120.0° |
| H36 | C24 | C26 | C27 | 50.8° | 55.0° |
| H36 | C24 | C26 | H37 | 171.2° | 175.0° |
| H36 | C24 | C26 | H38 | 69.7° | 64.9° |
| H36 | C24 | N10 | C21 | 33.1° | 35.0° |
| H36 | C24 | C25 | N11 | 14.0° | 60.0° |
| O12 | C25 | N11 | C33 | 4.1° | 0.1° |
| O12 | C25 | N11 | H44 | 175.9° | 179.9° |
| C27 | C26 | H37 | H38 | 118.6° | 119.9° |
| C26 | C27 | C28 | C29 | 179.3° | 179.7° |
| C26 | C27 | C28 | C30 | 179.7° | 180.0° |
| C26 | C27 | C28 | H39 | 0.3° | 0.0° |
| C26 | C27 | C29 | C31 | 179.4° | 180.0° |
| C26 | C27 | C29 | H40 | 0.6° | 0.0° |
| H37 | C26 | C27 | C28 | 29.4° | 30.0° |
| H37 | C26 | C27 | C29 | 149.9° | 149.7° |
| H38 | C26 | C27 | C28 | 148.5° | 150.0° |
| H38 | C26 | C27 | C29 | 30.9° | 29.7° |
| C27 | C28 | C30 | H39 | 180.0° | 180.0° |
| C28 | C27 | C29 | C31 | 1.2° | 0.3° |
| C28 | C27 | C29 | H40 | 178.8° | 179.7° |
| C27 | C28 | C30 | C32 | 1.4° | 0.0° |
| C27 | C28 | C30 | H41 | 178.6° | 179.9° |
| C29 | C27 | C28 | C30 | 0.4° | 0.3° |
| C29 | C27 | C28 | H39 | 179.7° | 179.7° |
| C27 | C29 | C31 | H40 | 180.0° | 180.0° |
| C27 | C29 | C31 | C32 | 0.4° | 0.0° |
| C27 | C29 | C31 | H42 | 179.6° | 180.0° |
| C28 | C30 | C32 | H41 | 180.0° | 180.0° |
| C28 | C30 | C32 | C31 | 2.3° | 0.2° |
| C28 | C30 | C32 | H43 | 177.7° | 180.0° |
| H39 | C28 | C30 | C32 | 178.6° | 180.0° |
| H39 | C28 | C30 | H41 | 1.4° | 0.1° |
| C29 | C31 | C32 | C30 | 1.4° | 0.2° |
| C29 | C31 | C32 | H42 | 180.0° | 180.0° |
| C29 | C31 | C32 | H43 | 178.6° | 180.0° |
| H40 | C29 | C31 | C32 | 179.6° | 180.0° |
| H40 | C29 | C31 | H42 | 0.4° | 0.0° |
| C30 | C32 | C31 | H43 | 180.0° | 179.8° |
| C30 | C32 | C31 | H42 | 178.6° | 179.8° |
| H41 | C30 | C32 | C31 | 177.7° | 179.8° |
| H41 | C30 | C32 | H43 | 2.3° | 0.0° |
| H42 | C31 | C32 | H43 | 1.4° | 0.1° |
| C33 | N11 | H44 | C25 | 180.0° | 180.0° |
| N11 | C33 | C34 | C35 | 120.4° | 120.0° |
| N11 | C33 | C34 | H45 | 119.6° | 120.0° |
| N11 | C33 | C35 | H45 | 118.7° | 120.0° |
| N11 | C33 | C34 | O13 | 38.7° | 0.0° |
| N11 | C33 | C35 | C36 | 172.2° | 65.0° |
| N11 | C33 | C35 | H46 | 51.9° | 55.0° |
| N11 | C33 | C35 | H47 | 67.5° | 175.0° |
| N11 | C33 | C34 | N12 | 142.2° | 180.0° |
| H44 | N11 | C33 | C34 | 120.2° | 25.0° |
| H44 | N11 | C33 | C35 | 2.6° | 95.0° |
| H44 | N11 | C33 | H45 | 120.7° | 145.0° |
| C34 | C33 | C35 | H45 | 120.2° | 120.0° |
| C33 | C34 | O13 | N12 | 179.0° | 180.0° |
| C34 | C33 | C35 | C36 | 66.7° | 175.0° |
| C34 | C33 | C35 | H46 | 173.0° | 65.0° |
| C34 | C33 | C35 | H47 | 53.6° | 55.0° |
| C33 | C34 | N12 | C38 | 175.4° | 180.0° |
| C33 | C34 | N12 | H51 | 4.6° | 0.0° |
| C34 | C33 | N11 | C25 | 59.8° | 155.0° |
| C35 | C33 | C34 | O13 | 81.7° | 120.0° |
| C33 | C35 | C36 | H46 | 120.3° | 120.0° |
| C33 | C35 | C36 | H47 | 120.3° | 120.0° |
| C33 | C35 | H46 | H47 | 119.0° | 120.0° |
| C33 | C35 | C36 | C37 | 177.5° | 180.0° |
| C33 | C35 | C36 | H48 | 62.4° | 60.0° |
| C33 | C35 | C36 | H49 | 57.4° | 60.0° |
| C35 | C33 | N11 | C25 | 177.4° | 85.0° |
| C35 | C33 | C34 | N12 | 97.4° | 60.0° |
| H45 | C33 | C34 | O13 | 158.3° | 120.0° |
| H45 | C33 | C35 | C36 | 53.4° | 55.0° |
| H45 | C33 | C35 | H46 | 66.9° | 175.0° |
| H45 | C33 | C35 | H47 | 173.8° | 65.0° |
| H45 | C33 | N11 | C25 | 59.3° | 35.0° |
| H45 | C33 | C34 | N12 | 22.7° | 60.0° |
| O13 | C34 | N12 | C38 | 3.6° | 0.0° |
| O13 | C34 | N12 | H51 | 176.4° | 180.0° |
| C36 | C35 | H46 | H47 | 119.1° | 120.0° |
| C35 | C36 | C37 | H48 | 120.1° | 120.0° |
| C35 | C36 | C37 | H49 | 120.1° | 120.1° |
| C35 | C36 | H48 | H49 | 119.7° | 120.0° |
| C35 | C36 | C37 | O14 | 0.5° | 0.0° |
| C35 | C36 | C37 | O15 | 178.4° | 180.0° |
| H46 | C35 | C36 | C37 | 57.2° | 60.0° |
| H46 | C35 | C36 | H48 | 177.3° | 180.0° |
| H46 | C35 | C36 | H49 | 62.9° | 60.1° |
| H47 | C35 | C36 | C37 | 62.2° | 60.0° |
| H47 | C35 | C36 | H48 | 57.9° | 60.0° |
| H47 | C35 | C36 | H49 | 177.7° | 179.9° |
| C37 | C36 | H48 | H49 | 119.7° | 120.0° |
| C36 | C37 | O14 | O15 | 177.8° | 180.0° |
| C36 | C37 | O15 | H50 | 177.8° | 179.9° |
| H48 | C36 | C37 | O14 | 120.6° | 120.0° |
| H48 | C36 | C37 | O15 | 61.5° | 60.0° |
| H49 | C36 | C37 | O14 | 119.6° | 120.0° |
| H49 | C36 | C37 | O15 | 58.3° | 60.0° |
| O14 | C37 | O15 | H50 | 0.0° | 0.0° |
| C38 | N12 | H51 | C34 | 180.0° | 179.9° |
| N12 | C38 | C39 | C40 | 121.7° | 120.0° |
| N12 | C38 | C39 | H52 | 119.7° | 120.0° |
| N12 | C38 | C40 | H52 | 118.0° | 120.0° |
| N12 | C38 | C39 | O16 | 39.8° | 0.0° |
| N12 | C38 | C40 | C41 | 66.8° | 65.0° |
| N12 | C38 | C40 | H53 | 54.2° | 55.0° |
| N12 | C38 | C40 | H54 | 172.3° | 175.0° |
| N12 | C38 | C39 | N13 | 140.0° | 180.0° |
| H51 | N12 | C38 | C39 | 122.2° | 25.0° |
| H51 | N12 | C38 | C40 | 1.2° | 95.0° |
| H51 | N12 | C38 | H52 | 118.6° | 145.0° |
| C39 | C38 | C40 | H52 | 118.8° | 120.0° |
| C38 | C39 | O16 | N13 | 179.7° | 180.0° |
| C39 | C38 | C40 | C41 | 170.0° | 175.0° |
| C39 | C38 | C40 | H53 | 69.0° | 65.0° |
| C39 | C38 | C40 | H54 | 49.1° | 55.0° |
| C38 | C39 | N13 | C43 | 174.6° | 174.8° |
| C38 | C39 | N13 | H58 | 5.4° | 5.2° |
| C39 | C38 | N12 | C34 | 57.8° | 155.0° |
| C40 | C38 | C39 | O16 | 81.9° | 120.0° |
| C38 | C40 | C41 | H53 | 121.0° | 120.0° |
| C38 | C40 | C41 | H54 | 121.0° | 120.0° |
| C38 | C40 | H53 | H54 | 117.0° | 120.0° |
| C38 | C40 | C41 | C42 | 53.3° | 180.0° |
| C38 | C40 | C41 | H55 | 67.4° | 60.0° |
| C38 | C40 | C41 | H56 | 174.0° | 60.0° |
| C40 | C38 | N12 | C34 | 178.8° | 85.0° |
| C40 | C38 | C39 | N13 | 98.4° | 60.0° |
| H52 | C38 | C39 | O16 | 159.4° | 120.0° |
| H52 | C38 | C40 | C41 | 51.2° | 55.0° |
| H52 | C38 | C40 | H53 | 172.2° | 175.0° |
| H52 | C38 | C40 | H54 | 69.8° | 65.0° |
| H52 | C38 | N12 | C34 | 61.4° | 35.0° |
| H52 | C38 | C39 | N13 | 20.3° | 60.0° |
| O16 | C39 | N13 | C43 | 5.7° | 5.1° |
| O16 | C39 | N13 | H58 | 174.3° | 174.8° |
| C41 | C40 | H53 | H54 | 117.0° | 120.0° |
| C40 | C41 | C42 | H55 | 120.7° | 120.0° |
| C40 | C41 | C42 | H56 | 120.6° | 120.0° |
| C40 | C41 | H55 | H56 | 118.0° | 120.0° |
| C40 | C41 | C42 | O17 | 52.9° | 0.0° |
| C40 | C41 | C42 | O18 | 126.4° | 180.0° |
| H53 | C40 | C41 | C42 | 174.3° | 60.0° |
| H53 | C40 | C41 | H55 | 53.6° | 179.9° |
| H53 | C40 | C41 | H56 | 65.1° | 60.0° |
| H54 | C40 | C41 | C42 | 67.7° | 60.0° |
| H54 | C40 | C41 | H55 | 171.7° | 60.0° |
| H54 | C40 | C41 | H56 | 53.0° | 180.0° |
| C42 | C41 | H55 | H56 | 118.0° | 120.0° |
| C41 | C42 | O17 | O18 | 179.3° | 180.0° |
| C41 | C42 | O18 | H57 | 179.3° | 180.0° |
| H55 | C41 | C42 | O17 | 173.6° | 120.0° |
| H55 | C41 | C42 | O18 | 5.7° | 60.0° |
| H56 | C41 | C42 | O17 | 67.7° | 120.0° |
| H56 | C41 | C42 | O18 | 113.0° | 60.0° |
| O17 | C42 | O18 | H57 | 0.0° | 0.0° |
| C43 | N13 | H58 | C39 | 180.0° | 180.0° |
| N13 | C43 | C44 | C45 | 124.3° | 120.0° |
| N13 | C43 | C44 | H59 | 116.6° | 120.1° |
| N13 | C43 | C45 | H59 | 121.0° | 120.1° |
| N13 | C43 | C44 | O19 | 15.1° | 8.3° |
| N13 | C43 | C45 | C46 | 62.3° | 48.8° |
| N13 | C43 | C45 | C47 | 63.7° | 71.2° |
| N13 | C43 | C45 | H60 | 179.6° | 168.8° |
| N13 | C43 | C44 | N14 | 162.4° | 171.7° |
| H58 | N13 | C43 | C44 | 80.0° | 33.8° |
| H58 | N13 | C43 | C45 | 43.5° | 86.2° |
| H58 | N13 | C43 | H59 | 164.0° | 153.8° |
| C44 | C43 | C45 | H59 | 119.1° | 119.9° |
| C43 | C44 | O19 | N14 | 177.4° | 180.0° |
| C44 | C43 | C45 | C46 | 57.6° | 71.2° |
| C44 | C43 | C45 | C47 | 176.4° | 168.8° |
| C44 | C43 | C45 | H60 | 59.7° | 48.8° |
| C43 | C44 | N14 | C49 | 179.1° | 173.6° |
| C43 | C44 | N14 | C53 | 3.4° | 6.1° |
| C44 | C43 | N13 | C39 | 100.0° | 146.2° |
| C45 | C43 | C44 | O19 | 109.2° | 111.6° |
| C43 | C45 | C46 | C47 | 126.2° | 120.0° |
| C43 | C45 | C46 | H60 | 117.2° | 120.0° |
| C43 | C45 | C47 | H60 | 116.7° | 120.0° |
| C43 | C45 | C46 | C48 | 169.0° | 68.9° |
| C43 | C45 | C46 | H61 | 70.8° | 171.0° |
| C43 | C45 | C46 | H62 | 48.9° | 51.1° |
| C43 | C45 | C47 | H63 | 180.0° | 56.9° |
| C43 | C45 | C47 | H64 | 60.0° | 177.0° |
| C43 | C45 | C47 | H65 | 60.0° | 63.1° |
| C45 | C43 | N13 | C39 | 136.4° | 93.9° |
| C45 | C43 | C44 | N14 | 73.3° | 68.3° |
| H59 | C43 | C44 | O19 | 131.7° | 128.4° |
| H59 | C43 | C45 | C46 | 176.7° | 168.9° |
| H59 | C43 | C45 | C47 | 57.3° | 48.9° |
| H59 | C43 | C45 | H60 | 59.4° | 71.1° |
| H59 | C43 | N13 | C39 | 16.0° | 26.1° |
| H59 | C43 | C44 | N14 | 45.8° | 51.6° |
| O19 | C44 | N14 | C49 | 3.4° | 6.4° |
| O19 | C44 | N14 | C53 | 174.1° | 173.9° |
| C46 | C45 | C47 | H60 | 116.8° | 120.0° |
| C45 | C46 | C48 | H61 | 120.1° | 120.0° |
| C45 | C46 | C48 | H62 | 120.2° | 120.0° |
| C45 | C46 | H61 | H62 | 119.5° | 119.9° |
| C46 | C45 | C47 | H63 | 53.5° | 63.1° |
| C46 | C45 | C47 | H64 | 173.5° | 57.0° |
| C46 | C45 | C47 | H65 | 66.6° | 176.9° |
| C45 | C46 | C48 | H66 | 180.0° | 45.9° |
| C45 | C46 | C48 | H67 | 60.0° | 166.0° |
| C45 | C46 | C48 | H68 | 60.0° | 74.0° |
| C47 | C45 | C46 | C48 | 64.8° | 171.1° |
| C47 | C45 | C46 | H61 | 55.4° | 51.0° |
| C47 | C45 | C46 | H62 | 175.1° | 68.9° |
| C45 | C47 | H63 | H64 | 120.0° | 120.0° |
| C45 | C47 | H63 | H65 | 120.0° | 120.0° |
| C45 | C47 | H64 | H65 | 120.0° | 120.0° |
| H60 | C45 | C46 | C48 | 51.9° | 51.1° |
| H60 | C45 | C46 | H61 | 172.0° | 69.0° |
| H60 | C45 | C46 | H62 | 68.3° | 171.1° |
| H60 | C45 | C47 | H63 | 63.3° | 176.9° |
| H60 | C45 | C47 | H64 | 56.7° | 63.0° |
| H60 | C45 | C47 | H65 | 176.6° | 56.9° |
| C48 | C46 | H61 | H62 | 119.5° | 120.0° |
| C46 | C48 | H66 | H67 | 120.0° | 120.0° |
| C46 | C48 | H66 | H68 | 120.0° | 120.0° |
| C46 | C48 | H67 | H68 | 120.0° | 120.1° |
| H61 | C46 | C48 | H66 | 59.8° | 74.1° |
| H61 | C46 | C48 | H67 | 179.9° | 45.9° |
| H61 | C46 | C48 | H68 | 60.1° | 166.0° |
| H62 | C46 | C48 | H66 | 59.8° | 165.9° |
| H62 | C46 | C48 | H67 | 60.2° | 74.0° |
| H62 | C46 | C48 | H68 | 179.8° | 46.0° |
| H63 | C47 | H64 | H65 | 120.0° | 119.9° |
| H66 | C48 | H67 | H68 | 120.0° | 120.0° |
| C49 | N14 | C53 | C44 | 177.6° | 179.7° |
| N14 | C49 | C50 | C51 | 114.4° | 117.8° |
| N14 | C49 | C50 | H69 | 123.1° | 121.0° |
| N14 | C49 | C51 | H69 | 116.4° | 119.5° |
| N14 | C49 | C50 | O20 | 43.3° | 8.9° |
| N14 | C49 | C51 | C52 | 27.8° | 22.2° |
| N14 | C49 | C51 | H70 | 91.5° | 140.5° |
| N14 | C49 | C51 | H71 | 147.0° | 96.2° |
| C49 | N14 | C53 | C52 | 15.7° | 24.5° |
| C49 | N14 | C53 | H74 | 134.5° | 94.4° |
| C49 | N14 | C53 | H75 | 103.1° | 143.2° |
| N14 | C49 | C50 | N15 | 136.8° | 171.1° |
| C53 | N14 | C49 | C50 | 128.8° | 120.7° |
| C53 | N14 | C49 | C51 | 7.4° | 1.3° |
| C53 | N14 | C49 | H69 | 108.4° | 118.3° |
| N14 | C53 | C52 | C51 | 32.7° | 37.3° |
| N14 | C53 | C52 | H74 | 118.8° | 118.8° |
| N14 | C53 | C52 | H75 | 118.8° | 118.7° |
| N14 | C53 | C52 | H72 | 151.9° | 80.8° |
| N14 | C53 | C52 | H73 | 86.4° | 155.3° |
| N14 | C53 | H74 | H75 | 123.5° | 122.3° |
| C50 | C49 | C51 | H69 | 122.6° | 121.0° |
| C49 | C50 | O20 | N15 | 179.9° | 180.0° |
| C50 | C49 | C51 | C52 | 148.8° | 97.3° |
| C50 | C49 | C51 | H70 | 29.5° | 21.1° |
| C50 | C49 | C51 | H71 | 92.0° | 144.4° |
| C49 | C50 | N15 | C54 | 174.9° | 180.0° |
| C49 | C50 | N15 | H76 | 5.1° | 0.0° |
| C50 | C49 | N14 | C44 | 53.4° | 59.6° |
| C51 | C49 | C50 | O20 | 71.2° | 109.0° |
| C49 | C51 | C52 | H70 | 119.2° | 118.4° |
| C49 | C51 | C52 | H71 | 119.2° | 118.3° |
| C49 | C51 | H70 | H71 | 122.2° | 123.3° |
| C49 | C51 | C52 | C53 | 38.6° | 35.7° |
| C49 | C51 | C52 | H72 | 157.7° | 82.6° |
| C49 | C51 | C52 | H73 | 80.6° | 153.6° |
| C51 | C49 | N14 | C44 | 174.8° | 179.0° |
| C51 | C49 | C50 | N15 | 108.8° | 71.1° |
| H69 | C49 | C50 | O20 | 166.4° | 129.9° |
| H69 | C49 | C51 | C52 | 88.6° | 141.7° |
| H69 | C49 | C51 | H70 | 152.1° | 99.9° |
| H69 | C49 | C51 | H71 | 30.6° | 23.4° |
| H69 | C49 | N14 | C44 | 69.4° | 61.4° |
| H69 | C49 | C50 | N15 | 13.7° | 50.1° |
| O20 | C50 | N15 | C54 | 5.1° | 0.0° |
| O20 | C50 | N15 | H76 | 174.8° | 180.0° |
| C52 | C51 | H70 | H71 | 122.3° | 123.2° |
| C51 | C52 | C53 | H72 | 119.2° | 118.1° |
| C51 | C52 | C53 | H73 | 119.2° | 118.0° |
| C51 | C52 | H72 | H73 | 122.5° | 123.9° |
| C51 | C52 | C53 | H74 | 151.5° | 81.5° |
| C51 | C52 | C53 | H75 | 86.1° | 156.0° |
| H70 | C51 | C52 | C53 | 80.6° | 154.0° |
| H70 | C51 | C52 | H72 | 38.5° | 35.8° |
| H70 | C51 | C52 | H73 | 160.2° | 88.0° |
| H71 | C51 | C52 | C53 | 157.8° | 82.7° |
| H71 | C51 | C52 | H72 | 83.0° | 159.1° |
| H71 | C51 | C52 | H73 | 38.7° | 35.3° |
| C53 | C52 | H72 | H73 | 122.4° | 123.9° |
| C52 | C53 | H74 | H75 | 123.4° | 122.4° |
| C52 | C53 | N14 | C44 | 161.9° | 155.8° |
| H72 | C52 | C53 | H74 | 89.3° | 160.4° |
| H72 | C52 | C53 | H75 | 33.1° | 37.9° |
| H73 | C52 | C53 | H74 | 32.3° | 36.5° |
| H73 | C52 | C53 | H75 | 154.7° | 86.0° |
| H74 | C53 | N14 | C44 | 43.1° | 85.3° |
| H75 | C53 | N14 | C44 | 79.3° | 37.1° |
| C54 | N15 | H76 | C50 | 180.0° | 180.0° |
| N15 | C54 | C55 | C56 | 123.2° | 120.0° |
| N15 | C54 | C55 | H77 | 117.7° | 120.0° |
| N15 | C54 | C56 | H77 | 114.5° | 120.1° |
| N15 | C54 | C55 | O21 | 166.7° | 0.0° |
| N15 | C54 | C56 | C57 | 82.2° | 65.0° |
| N15 | C54 | C56 | H78 | 38.3° | 55.0° |
| N15 | C54 | C56 | H79 | 157.4° | 175.0° |
| N15 | C54 | C55 | N16 | 10.8° | 180.0° |
| H76 | N15 | C54 | C55 | 110.9° | 25.0° |
| H76 | N15 | C54 | C56 | 17.6° | 95.0° |
| H76 | N15 | C54 | H77 | 131.7° | 145.0° |
| C55 | C54 | C56 | H77 | 119.2° | 119.9° |
| C54 | C55 | O21 | N16 | 177.6° | 180.0° |
| C55 | C54 | C56 | C57 | 151.6° | 175.0° |
| C55 | C54 | C56 | H78 | 88.0° | 65.0° |
| C55 | C54 | C56 | H79 | 31.1° | 55.0° |
| C54 | C55 | N16 | C59 | 175.3° | 180.0° |
| C54 | C55 | N16 | H83 | 4.8° | 0.1° |
| C55 | C54 | N15 | C50 | 69.1° | 155.0° |
| C56 | C54 | C55 | O21 | 70.1° | 120.0° |
| C54 | C56 | C57 | H78 | 120.4° | 120.0° |
| C54 | C56 | C57 | H79 | 120.5° | 120.0° |
| C54 | C56 | H78 | H79 | 118.6° | 120.0° |
| C54 | C56 | C57 | C58 | 156.5° | 180.0° |
| C54 | C56 | C57 | H80 | 35.6° | 60.0° |
| C54 | C56 | C57 | H81 | 82.6° | 60.0° |
| C56 | C54 | N15 | C50 | 162.4° | 85.0° |
| C56 | C54 | C55 | N16 | 112.4° | 60.0° |
| H77 | C54 | C55 | O21 | 49.0° | 120.0° |
| H77 | C54 | C56 | C57 | 32.3° | 55.0° |
| H77 | C54 | C56 | H78 | 152.8° | 175.1° |
| H77 | C54 | C56 | H79 | 88.1° | 65.0° |
| H77 | C54 | N15 | C50 | 48.3° | 35.1° |
| H77 | C54 | C55 | N16 | 128.5° | 60.0° |
| O21 | C55 | N16 | C59 | 2.4° | 0.1° |
| O21 | C55 | N16 | H83 | 177.6° | 180.0° |
| C57 | C56 | H78 | H79 | 118.6° | 120.0° |
| C56 | C57 | C58 | H80 | 120.9° | 120.0° |
| C56 | C57 | C58 | H81 | 120.9° | 120.0° |
| C56 | C57 | H80 | H81 | 117.1° | 120.0° |
| C56 | C57 | C58 | O22 | 6.0° | 0.0° |
| C56 | C57 | C58 | O23 | 175.5° | 180.0° |
| H78 | C56 | C57 | C58 | 83.1° | 60.0° |
| H78 | C56 | C57 | H80 | 156.0° | 180.0° |
| H78 | C56 | C57 | H81 | 37.8° | 60.0° |
| H79 | C56 | C57 | C58 | 36.0° | 60.0° |
| H79 | C56 | C57 | H80 | 84.9° | 60.0° |
| H79 | C56 | C57 | H81 | 156.9° | 180.0° |
| C58 | C57 | H80 | H81 | 117.1° | 120.0° |
| C57 | C58 | O22 | O23 | 178.3° | 179.9° |
| C57 | C58 | O23 | H82 | 178.6° | 180.0° |
| H80 | C57 | C58 | O22 | 126.9° | 119.9° |
| H80 | C57 | C58 | O23 | 54.6° | 60.0° |
| H81 | C57 | C58 | O22 | 114.9° | 120.0° |
| H81 | C57 | C58 | O23 | 63.5° | 60.0° |
| O22 | C58 | O23 | H82 | 0.0° | 0.1° |
| C59 | N16 | H83 | C55 | 180.0° | 179.9° |
| N16 | C59 | C60 | C61 | 124.6° | 119.9° |
| N16 | C59 | C60 | H84 | 119.8° | 120.1° |
| N16 | C59 | C61 | H84 | 119.6° | 120.0° |
| N16 | C59 | C60 | O24 | 162.3° | 0.0° |
| N16 | C59 | C61 | C62 | 49.8° | 65.0° |
| N16 | C59 | C61 | H85 | 170.8° | 55.1° |
| N16 | C59 | C61 | H86 | 71.2° | 175.0° |
| N16 | C59 | C60 | N17 | 20.3° | 180.0° |
| H83 | N16 | C59 | C60 | 115.5° | 24.9° |
| H83 | N16 | C59 | C61 | 6.0° | 95.0° |
| H83 | N16 | C59 | H84 | 125.1° | 145.0° |
| C60 | C59 | C61 | H84 | 115.7° | 120.0° |
| C59 | C60 | O24 | N17 | 177.2° | 180.0° |
| C60 | C59 | C61 | C62 | 74.8° | 175.0° |
| C60 | C59 | C61 | H85 | 46.2° | 64.9° |
| C60 | C59 | C61 | H86 | 164.2° | 55.1° |
| C59 | C60 | N17 | C64 | 179.9° | 180.0° |
| C59 | C60 | N17 | H90 | 0.1° | 0.0° |
| C60 | C59 | N16 | C55 | 64.5° | 155.0° |
| C61 | C59 | C60 | O24 | 73.1° | 120.0° |
| C59 | C61 | C62 | H85 | 121.0° | 120.1° |
| C59 | C61 | C62 | H86 | 121.0° | 120.0° |
| C59 | C61 | H85 | H86 | 116.8° | 120.0° |
| C59 | C61 | C62 | C63 | 118.0° | 180.0° |
| C59 | C61 | C62 | H87 | 134.4° | 60.0° |
| C59 | C61 | C62 | H88 | 10.5° | 60.0° |
| C61 | C59 | N16 | C55 | 174.0° | 85.1° |
| C61 | C59 | C60 | N17 | 104.3° | 60.0° |
| H84 | C59 | C60 | O24 | 42.4° | 120.0° |
| H84 | C59 | C61 | C62 | 169.5° | 55.0° |
| H84 | C59 | C61 | H85 | 69.5° | 175.0° |
| H84 | C59 | C61 | H86 | 48.5° | 65.0° |
| H84 | C59 | N16 | C55 | 54.9° | 34.9° |
| H84 | C59 | C60 | N17 | 140.1° | 59.9° |
| O24 | C60 | N17 | C64 | 2.6° | 0.0° |
| O24 | C60 | N17 | H90 | 177.3° | 180.0° |
| C62 | C61 | H85 | H86 | 116.7° | 119.9° |
| C61 | C62 | C63 | H87 | 107.6° | 120.0° |
| C61 | C62 | C63 | H88 | 107.5° | 120.0° |
| C61 | C62 | H87 | H88 | 148.5° | 120.0° |
| C61 | C62 | C63 | O25 | 90.0° | 0.0° |
| C61 | C62 | C63 | O26 | 90.0° | 180.0° |
| H85 | C61 | C62 | C63 | 3.0° | 60.0° |
| H85 | C61 | C62 | H87 | 104.6° | 179.9° |
| H85 | C61 | C62 | H88 | 110.6° | 60.0° |
| H86 | C61 | C62 | C63 | 121.0° | 60.0° |
| H86 | C61 | C62 | H87 | 13.4° | 60.0° |
| H86 | C61 | C62 | H88 | 131.5° | 180.0° |
| C63 | C62 | H87 | H88 | 148.5° | 120.0° |
| C62 | C63 | O25 | O26 | 90.0° | 180.0° |
| C62 | C63 | O26 | H89 | 90.0° | 180.0° |
| H87 | C62 | C63 | O25 | 90.0° | 120.0° |
| H87 | C62 | C63 | O26 | 90.0° | 60.0° |
| H88 | C62 | C63 | O25 | 90.0° | 120.0° |
| H88 | C62 | C63 | O26 | 90.0° | 60.0° |
| O25 | C63 | O26 | H89 | 90.0° | 0.0° |
| C64 | N17 | H90 | C60 | 180.0° | 180.0° |
| N17 | C64 | C65 | C66 | 121.6° | 120.0° |
| N17 | C64 | C65 | H91 | 119.5° | 120.0° |
| N17 | C64 | C66 | H91 | 119.4° | 119.9° |
| N17 | C64 | C65 | O27 | 179.7° | 0.0° |
| N17 | C64 | C66 | C67 | 65.3° | 65.0° |
| N17 | C64 | C66 | H92 | 54.8° | 55.1° |
| N17 | C64 | C66 | H93 | 174.7° | 175.0° |
| N17 | C64 | C65 | N18 | 0.4° | 180.0° |
| H90 | N17 | C64 | C65 | 93.4° | 95.0° |
| H90 | N17 | C64 | C66 | 28.7° | 25.0° |
| H90 | N17 | C64 | H91 | 147.6° | 144.9° |
| C65 | C64 | C66 | H91 | 119.0° | 120.0° |
| C64 | C65 | O27 | N18 | 179.9° | 180.0° |
| C65 | C64 | C66 | C67 | 173.1° | 174.9° |
| C65 | C64 | C66 | H92 | 66.9° | 65.0° |
| C65 | C64 | C66 | H93 | 53.1° | 54.9° |
| C64 | C65 | N18 | C73 | 174.8° | 180.0° |
| C64 | C65 | N18 | H99 | 5.2° | 0.0° |
| C65 | C64 | N17 | C60 | 86.6° | 85.0° |
| C66 | C64 | C65 | O27 | 58.7° | 120.0° |
| C64 | C66 | C67 | H92 | 120.0° | 120.0° |
| C64 | C66 | C67 | H93 | 120.0° | 120.0° |
| C64 | C66 | H92 | H93 | 120.0° | 119.9° |
| C64 | C66 | C67 | C68 | 65.0° | 90.0° |
| C64 | C66 | C67 | C69 | 115.1° | 90.2° |
| C66 | C64 | N17 | C60 | 151.3° | 155.0° |
| C66 | C64 | C65 | N18 | 121.3° | 60.0° |
| H91 | C64 | C65 | O27 | 60.2° | 120.0° |
| H91 | C64 | C66 | C67 | 54.1° | 55.0° |
| H91 | C64 | C66 | H92 | 174.1° | 175.0° |
| H91 | C64 | C66 | H93 | 65.9° | 65.1° |
| H91 | C64 | N17 | C60 | 32.4° | 35.0° |
| H91 | C64 | C65 | N18 | 119.8° | 59.9° |
| O27 | C65 | N18 | C73 | 5.1° | 0.1° |
| O27 | C65 | N18 | H99 | 174.9° | 180.0° |
| C67 | C66 | H92 | H93 | 119.9° | 120.0° |
| C66 | C67 | C68 | C69 | 179.9° | 179.8° |
| C66 | C67 | C68 | C70 | 179.8° | 179.9° |
| C66 | C67 | C68 | H94 | 0.2° | 0.0° |
| C66 | C67 | C69 | C71 | 179.4° | 180.0° |
| C66 | C67 | C69 | H95 | 0.6° | 0.1° |
| H92 | C66 | C67 | C68 | 175.0° | 30.1° |
| H92 | C66 | C67 | C69 | 4.9° | 149.7° |
| H93 | C66 | C67 | C68 | 55.0° | 150.0° |
| H93 | C66 | C67 | C69 | 124.9° | 29.7° |
| C67 | C68 | C70 | H94 | 180.0° | 179.9° |
| C68 | C67 | C69 | C71 | 0.7° | 0.2° |
| C68 | C67 | C69 | H95 | 179.3° | 179.7° |
| C67 | C68 | C70 | C72 | 0.9° | 0.0° |
| C67 | C68 | C70 | H96 | 179.1° | 180.0° |
| C69 | C67 | C68 | C70 | 0.1° | 0.3° |
| C69 | C67 | C68 | H94 | 179.9° | 179.8° |
| C67 | C69 | C71 | H95 | 180.0° | 180.0° |
| C67 | C69 | C71 | C72 | 0.8° | 0.0° |
| C67 | C69 | C71 | H97 | 179.1° | 179.9° |
| C68 | C70 | C72 | H96 | 180.0° | 180.0° |
| C68 | C70 | C72 | C71 | 0.8° | 0.3° |
| C68 | C70 | C72 | O28 | 179.0° | 180.0° |
| H94 | C68 | C70 | C72 | 179.1° | 180.0° |
| H94 | C68 | C70 | H96 | 0.9° | 0.0° |
| C69 | C71 | C72 | C70 | 0.1° | 0.3° |
| C69 | C71 | C72 | H97 | 180.0° | 179.9° |
| C69 | C71 | C72 | O28 | 179.8° | 180.0° |
| H95 | C69 | C71 | C72 | 179.2° | 180.0° |
| H95 | C69 | C71 | H97 | 0.9° | 0.1° |
| C70 | C72 | C71 | O28 | 179.8° | 179.7° |
| C70 | C72 | C71 | H97 | 179.9° | 179.7° |
| C70 | C72 | O28 | H98 | 180.0° | 90.0° |
| H96 | C70 | C72 | C71 | 179.2° | 179.7° |
| H96 | C70 | C72 | O28 | 1.0° | 0.0° |
| C71 | C72 | O28 | H98 | 0.2° | 89.7° |
| H97 | C71 | C72 | O28 | 0.1° | 0.1° |
| C73 | N18 | H99 | C65 | 180.0° | 179.9° |
| N18 | C73 | C74 | C75 | 106.2° | 120.0° |
| N18 | C73 | C74 | H100 | 109.1° | 120.0° |
| N18 | C73 | C75 | H100 | 117.7° | 120.0° |
| N18 | C73 | C74 | O29 | 90.0° | 0.0° |
| N18 | C73 | C74 | O30 | 90.0° | 179.9° |
| N18 | C73 | C75 | C76 | 99.7° | 65.1° |
| N18 | C73 | C75 | H101 | 2.0° | 175.0° |
| N18 | C73 | C75 | H102 | 162.6° | 55.0° |
| H99 | N18 | C73 | C74 | 104.8° | 95.0° |
| H99 | N18 | C73 | C75 | 99.1° | 25.0° |
| H99 | N18 | C73 | H100 | 17.9° | 145.0° |
| C74 | C73 | C75 | H100 | 142.6° | 120.0° |
| C73 | C74 | O29 | O30 | 90.0° | 179.9° |
| C74 | C73 | C75 | C76 | 0.0° | 175.0° |
| C74 | C73 | C75 | H101 | 97.7° | 55.0° |
| C74 | C73 | C75 | H102 | 97.7° | 65.0° |
| C73 | C74 | O30 | H110 | 90.0° | 180.0° |
| C74 | C73 | N18 | C65 | 75.3° | 85.0° |
| C75 | C73 | C74 | O29 | 90.0° | 119.9° |
| C75 | C73 | C74 | O30 | 90.0° | 60.0° |
| C73 | C75 | C76 | H101 | 97.7° | 120.0° |
| C73 | C75 | C76 | H102 | 97.7° | 120.1° |
| C73 | C75 | H101 | H102 | 166.6° | 120.1° |
| C73 | C75 | C76 | C77 | 90.0° | 64.9° |
| C73 | C75 | C76 | C78 | 90.0° | 175.0° |
| C73 | C75 | C76 | H103 | 90.0° | 55.0° |
| C75 | C73 | N18 | C65 | 80.9° | 155.0° |
| H100 | C73 | C74 | O29 | 90.0° | 120.0° |
| H100 | C73 | C74 | O30 | 90.0° | 60.1° |
| H100 | C73 | C75 | C76 | 142.6° | 55.0° |
| H100 | C73 | C75 | H101 | 119.7° | 65.0° |
| H100 | C73 | C75 | H102 | 44.9° | 175.0° |
| H100 | C73 | N18 | C65 | 162.1° | 34.9° |
| O29 | C74 | O30 | H110 | 90.0° | 0.1° |
| C76 | C75 | H101 | H102 | 166.6° | 119.9° |
| C75 | C76 | C77 | C78 | 90.0° | 120.0° |
| C75 | C76 | C77 | H103 | 90.0° | 119.9° |
| C75 | C76 | C78 | H103 | 90.0° | 120.0° |
| C75 | C76 | C77 | H104 | 90.0° | 180.0° |
| C75 | C76 | C77 | H105 | 90.0° | 60.0° |
| C75 | C76 | C77 | H106 | 90.0° | 60.1° |
| C75 | C76 | C78 | H107 | 90.0° | 60.0° |
| C75 | C76 | C78 | H108 | 90.0° | 180.0° |
| C75 | C76 | C78 | H109 | 90.0° | 60.1° |
| H101 | C75 | C76 | C77 | 90.0° | 55.1° |
| H101 | C75 | C76 | C78 | 90.0° | 65.0° |
| H101 | C75 | C76 | H103 | 90.0° | 175.0° |
| H102 | C75 | C76 | C77 | 90.0° | 175.0° |
| H102 | C75 | C76 | C78 | 90.0° | 55.0° |
| H102 | C75 | C76 | H103 | 90.0° | 65.0° |
| C77 | C76 | C78 | H103 | 90.0° | 120.0° |
| C76 | C77 | H104 | H105 | 90.0° | 120.0° |
| C76 | C77 | H104 | H106 | 90.0° | 119.9° |
| C76 | C77 | H105 | H106 | 90.0° | 120.0° |
| C77 | C76 | C78 | H107 | 90.0° | 180.0° |
| C77 | C76 | C78 | H108 | 90.0° | 60.0° |
| C77 | C76 | C78 | H109 | 90.0° | 59.9° |
| C78 | C76 | C77 | H104 | 90.0° | 60.0° |
| C78 | C76 | C77 | H105 | 90.0° | 180.0° |
| C78 | C76 | C77 | H106 | 90.0° | 59.9° |
| C76 | C78 | H107 | H108 | 90.0° | 120.0° |
| C76 | C78 | H107 | H109 | 90.0° | 120.0° |
| C76 | C78 | H108 | H109 | 90.0° | 120.0° |
| H103 | C76 | C77 | H104 | 90.0° | 60.1° |
| H103 | C76 | C77 | H105 | 90.0° | 59.9° |
| H103 | C76 | C77 | H106 | 90.0° | 180.0° |
| H103 | C76 | C78 | H107 | 90.0° | 60.0° |
| H103 | C76 | C78 | H108 | 90.0° | 60.0° |
| H103 | C76 | C78 | H109 | 90.0° | 180.0° |
| H104 | C77 | H105 | H106 | 90.0° | 120.0° |
| H107 | C78 | H108 | H109 | 90.0° | 120.0° |
