PRD_002455
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C1 | sing | 1.47Å | 1.49Å | |
| N1 | H1 | sing | 1.01Å | 1.00Å | |
| N1 | H2 | sing | 1.01Å | 1.00Å | |
| C1 | C2 | sing | 1.51Å | 1.52Å | |
| C1 | C3 | sing | 1.53Å | 1.52Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C2 | O1 | doub | 1.21Å | 1.23Å | |
| C3 | C4 | sing | 1.53Å | 1.52Å | |
| C3 | H4 | sing | 1.09Å | 1.10Å | |
| C3 | H5 | sing | 1.09Å | 1.10Å | |
| C4 | C5 | sing | 1.51Å | 1.51Å | |
| C4 | H6 | sing | 1.09Å | 1.10Å | |
| C4 | H7 | sing | 1.09Å | 1.10Å | |
| C5 | O2 | doub | 1.21Å | 1.24Å | |
| C5 | O3 | sing | 1.34Å | 1.24Å | |
| O3 | H8 | sing | 0.97Å | 0.95Å | |
| N2 | C6 | sing | 1.47Å | 1.48Å | |
| N2 | H9 | sing | 0.97Å | 1.00Å | |
| C6 | C7 | sing | 1.51Å | 1.52Å | |
| C6 | C8 | sing | 1.53Å | 1.53Å | |
| C6 | H10 | sing | 1.09Å | 1.10Å | |
| C7 | O4 | doub | 1.21Å | 1.22Å | |
| C8 | C9 | sing | 1.51Å | 1.50Å | |
| C8 | H11 | sing | 1.09Å | 1.10Å | |
| C8 | H12 | sing | 1.09Å | 1.10Å | |
| C9 | C10 | doub | 1.38Å | 1.38Å | Aromatic |
| C9 | C11 | sing | 1.38Å | 1.38Å | Aromatic |
| C10 | C12 | sing | 1.38Å | 1.38Å | Aromatic |
| C10 | H13 | sing | 1.08Å | 1.08Å | |
| C11 | C13 | doub | 1.38Å | 1.38Å | Aromatic |
| C11 | H14 | sing | 1.08Å | 1.08Å | |
| C12 | C14 | doub | 1.38Å | 1.37Å | Aromatic |
| C12 | H15 | sing | 1.08Å | 1.08Å | |
| C13 | C14 | sing | 1.38Å | 1.37Å | Aromatic |
| C13 | H16 | sing | 1.08Å | 1.08Å | |
| C14 | H17 | sing | 1.08Å | 1.08Å | |
| N3 | C15 | sing | 1.47Å | 1.47Å | |
| N3 | H18 | sing | 0.97Å | 1.00Å | |
| C15 | C16 | sing | 1.53Å | 1.53Å | |
| C15 | C25 | sing | 1.51Å | 1.52Å | |
| C15 | H19 | sing | 1.09Å | 1.10Å | |
| C16 | C17 | sing | 1.51Å | 1.49Å | |
| C16 | H20 | sing | 1.09Å | 1.10Å | |
| C16 | H21 | sing | 1.09Å | 1.10Å | |
| C17 | C18 | doub | 1.34Å | 1.35Å | Aromatic |
| C17 | C24 | sing | 1.46Å | 1.43Å | Aromatic |
| C18 | N4 | sing | 1.37Å | 1.37Å | Aromatic |
| C18 | H22 | sing | 1.08Å | 1.08Å | |
| N4 | C19 | sing | 1.38Å | 1.36Å | Aromatic |
| N4 | H23 | sing | 0.97Å | 1.00Å | |
| C19 | C20 | doub | 1.39Å | 1.39Å | Aromatic |
| C19 | C24 | sing | 1.41Å | 1.40Å | Aromatic |
| C20 | C21 | sing | 1.38Å | 1.38Å | Aromatic |
| C20 | H24 | sing | 1.08Å | 1.08Å | |
| C21 | C22 | doub | 1.39Å | 1.39Å | Aromatic |
| C21 | H25 | sing | 1.08Å | 1.08Å | |
| C22 | C23 | sing | 1.37Å | 1.38Å | Aromatic |
| C22 | H26 | sing | 1.08Å | 1.08Å | |
| C23 | C24 | doub | 1.40Å | 1.39Å | Aromatic |
| C23 | H27 | sing | 1.08Å | 1.08Å | |
| C25 | O5 | doub | 1.21Å | 1.23Å | |
| N5 | C26 | sing | 1.47Å | 1.49Å | |
| N5 | H28 | sing | 0.97Å | 1.00Å | |
| C26 | C27 | sing | 1.51Å | 1.52Å | |
| C26 | C28 | sing | 1.53Å | 1.52Å | |
| C26 | H29 | sing | 1.09Å | 1.10Å | |
| C27 | O6 | doub | 1.21Å | 1.22Å | |
| C28 | C29 | sing | 1.51Å | 1.50Å | |
| C28 | H30 | sing | 1.09Å | 1.10Å | |
| C28 | H31 | sing | 1.09Å | 1.10Å | |
| C29 | C30 | doub | 1.38Å | 1.38Å | Aromatic |
| C29 | C31 | sing | 1.38Å | 1.38Å | Aromatic |
| C30 | C32 | sing | 1.38Å | 1.38Å | Aromatic |
| C30 | H32 | sing | 1.08Å | 1.08Å | |
| C31 | C33 | doub | 1.38Å | 1.38Å | Aromatic |
| C31 | H33 | sing | 1.08Å | 1.08Å | |
| C32 | C34 | doub | 1.39Å | 1.38Å | Aromatic |
| C32 | H34 | sing | 1.08Å | 1.08Å | |
| C33 | C34 | sing | 1.39Å | 1.38Å | Aromatic |
| C33 | H35 | sing | 1.08Å | 1.08Å | |
| C34 | O7 | sing | 1.36Å | 1.36Å | |
| O7 | H36 | sing | 0.97Å | 0.95Å | |
| N6 | C35 | sing | 1.47Å | 1.50Å | |
| N6 | H37 | sing | 0.97Å | 1.00Å | |
| C35 | C36 | sing | 1.53Å | 1.54Å | |
| C35 | C39 | sing | 1.51Å | 1.54Å | |
| C35 | H38 | sing | 1.09Å | 1.10Å | |
| C36 | C37 | sing | 1.53Å | 1.52Å | |
| C36 | C38 | sing | 1.53Å | 1.52Å | |
| C36 | H39 | sing | 1.09Å | 1.10Å | |
| C37 | H40 | sing | 1.09Å | 1.10Å | |
| C37 | H41 | sing | 1.09Å | 1.10Å | |
| C37 | H42 | sing | 1.09Å | 1.10Å | |
| C38 | H43 | sing | 1.09Å | 1.10Å | |
| C38 | H44 | sing | 1.09Å | 1.10Å | |
| C38 | H45 | sing | 1.09Å | 1.10Å | |
| C39 | O8 | doub | 1.21Å | 1.25Å | |
| N7 | C40 | sing | 1.46Å | 1.49Å | |
| N7 | H46 | sing | 0.97Å | 1.00Å | |
| C40 | C41 | sing | 1.51Å | 1.50Å | |
| C40 | C42 | sing | 1.53Å | 1.53Å | |
| C40 | H47 | sing | 1.09Å | 1.10Å | |
| C41 | O9 | doub | 1.21Å | 1.23Å | |
| C42 | C43 | sing | 1.53Å | 1.52Å | |
| C42 | H48 | sing | 1.09Å | 1.10Å | |
| C42 | H49 | sing | 1.09Å | 1.10Å | |
| C43 | C44 | sing | 1.51Å | 1.52Å | |
| C43 | H50 | sing | 1.09Å | 1.10Å | |
| C43 | H51 | sing | 1.09Å | 1.10Å | |
| C44 | O10 | doub | 1.21Å | 1.25Å | |
| C44 | O11 | sing | 1.34Å | 1.25Å | |
| O11 | H52 | sing | 0.97Å | 0.95Å | |
| C46 | O12 | doub | 1.21Å | 1.24Å | |
| C46 | C45 | sing | 1.51Å | 1.61Å | |
| N8 | C45 | sing | 1.46Å | 1.51Å | |
| C45 | C47 | sing | 1.53Å | 1.50Å | |
| C47 | C48 | sing | 1.51Å | 1.49Å | |
| C49 | C48 | doub | 1.38Å | 1.37Å | Aromatic |
| C49 | C51 | sing | 1.38Å | 1.43Å | Aromatic |
| C48 | C50 | sing | 1.38Å | 1.38Å | Aromatic |
| C51 | C53 | doub | 1.38Å | 1.32Å | Aromatic |
| C50 | C52 | doub | 1.38Å | 1.40Å | Aromatic |
| C53 | C52 | sing | 1.38Å | 1.38Å | Aromatic |
| C53 | CL1 | sing | 1.74Å | 1.64Å | |
| N8 | H53 | sing | 0.97Å | 1.00Å | |
| C45 | H54 | sing | 1.09Å | 1.10Å | |
| C47 | H55 | sing | 1.09Å | 1.10Å | |
| C47 | H56 | sing | 1.09Å | 1.10Å | |
| C49 | H57 | sing | 1.08Å | 1.08Å | |
| C50 | H58 | sing | 1.08Å | 1.08Å | |
| C51 | H59 | sing | 1.08Å | 1.08Å | |
| C52 | H60 | sing | 1.08Å | 1.08Å | |
| N9 | C54 | sing | 1.46Å | 1.45Å | |
| N9 | H61 | sing | 0.97Å | 1.00Å | |
| C54 | C55 | sing | 1.51Å | 1.49Å | |
| C54 | C56 | sing | 1.53Å | 1.52Å | |
| C54 | H62 | sing | 1.09Å | 1.10Å | |
| C55 | O13 | doub | 1.21Å | 1.21Å | |
| C56 | C57 | sing | 1.53Å | 1.51Å | |
| C56 | H63 | sing | 1.09Å | 1.10Å | |
| C56 | H64 | sing | 1.09Å | 1.10Å | |
| C57 | C58 | sing | 1.51Å | 1.51Å | |
| C57 | H65 | sing | 1.09Å | 1.10Å | |
| C57 | H66 | sing | 1.09Å | 1.10Å | |
| C58 | O14 | doub | 1.21Å | 1.25Å | |
| C58 | O15 | sing | 1.34Å | 1.26Å | |
| O15 | H67 | sing | 0.97Å | 0.95Å | |
| N10 | C59 | sing | 1.47Å | 1.48Å | |
| N10 | H68 | sing | 0.97Å | 1.00Å | |
| C59 | C60 | sing | 1.51Å | 1.52Å | |
| C59 | C61 | sing | 1.53Å | 1.52Å | |
| C59 | H69 | sing | 1.09Å | 1.10Å | |
| C60 | O16 | doub | 1.21Å | 1.22Å | |
| C61 | C62 | sing | 1.53Å | 1.51Å | |
| C61 | H70 | sing | 1.09Å | 1.10Å | |
| C61 | H71 | sing | 1.09Å | 1.10Å | |
| C62 | C63 | sing | 1.53Å | 1.48Å | |
| C62 | H72 | sing | 1.09Å | 1.10Å | |
| C62 | H73 | sing | 1.09Å | 1.10Å | |
| C63 | C64 | sing | 1.53Å | 1.50Å | |
| C63 | H74 | sing | 1.09Å | 1.10Å | |
| C63 | H75 | sing | 1.09Å | 1.10Å | |
| C64 | N11 | sing | 1.47Å | 1.47Å | |
| C64 | H76 | sing | 1.09Å | 1.10Å | |
| C64 | H77 | sing | 1.09Å | 1.10Å | |
| N11 | H78 | sing | 1.01Å | 1.00Å | |
| N11 | H79 | sing | 1.01Å | 1.00Å | |
| N12 | C65 | sing | 1.46Å | 1.49Å | |
| N12 | H80 | sing | 0.97Å | 1.00Å | |
| C65 | C66 | sing | 1.53Å | 1.53Å | |
| C65 | C70 | sing | 1.51Å | 1.52Å | |
| C65 | H81 | sing | 1.09Å | 1.10Å | |
| C66 | C67 | sing | 1.53Å | 1.54Å | |
| C66 | H82 | sing | 1.09Å | 1.10Å | |
| C66 | H83 | sing | 1.09Å | 1.10Å | |
| C67 | C68 | sing | 1.53Å | 1.53Å | |
| C67 | C69 | sing | 1.53Å | 1.55Å | |
| C67 | H84 | sing | 1.09Å | 1.10Å | |
| C68 | H85 | sing | 1.09Å | 1.10Å | |
| C68 | H86 | sing | 1.09Å | 1.10Å | |
| C68 | H87 | sing | 1.09Å | 1.10Å | |
| C69 | H88 | sing | 1.09Å | 1.10Å | |
| C69 | H89 | sing | 1.09Å | 1.10Å | |
| C69 | H90 | sing | 1.09Å | 1.10Å | |
| C70 | O17 | doub | 1.21Å | 1.24Å | |
| N13 | C71 | sing | 1.47Å | 1.48Å | |
| N13 | H91 | sing | 0.97Å | 1.00Å | |
| C71 | C72 | sing | 1.53Å | 1.53Å | |
| C71 | C76 | sing | 1.51Å | 1.54Å | |
| C71 | H92 | sing | 1.09Å | 1.10Å | |
| C72 | C73 | sing | 1.53Å | 1.54Å | |
| C72 | H93 | sing | 1.09Å | 1.10Å | |
| C72 | H94 | sing | 1.09Å | 1.10Å | |
| C73 | C74 | sing | 1.53Å | 1.51Å | |
| C73 | C75 | sing | 1.53Å | 1.51Å | |
| C73 | H95 | sing | 1.09Å | 1.10Å | |
| C74 | H96 | sing | 1.09Å | 1.10Å | |
| C74 | H97 | sing | 1.09Å | 1.10Å | |
| C74 | H98 | sing | 1.09Å | 1.10Å | |
| C75 | H99 | sing | 1.09Å | 1.10Å | |
| C75 | H100 | sing | 1.09Å | 1.10Å | |
| C75 | H101 | sing | 1.09Å | 1.10Å | |
| C76 | O18 | doub | 1.21Å | 1.25Å | |
| N14 | C77 | sing | 1.47Å | 1.48Å | |
| N14 | H102 | sing | 0.97Å | 1.00Å | |
| C77 | C78 | sing | 1.53Å | 1.53Å | |
| C77 | C82 | sing | 1.51Å | 1.53Å | |
| C77 | H103 | sing | 1.09Å | 1.10Å | |
| C78 | C79 | sing | 1.53Å | 1.52Å | |
| C78 | H104 | sing | 1.09Å | 1.10Å | |
| C78 | H105 | sing | 1.09Å | 1.10Å | |
| C79 | C80 | sing | 1.53Å | 1.51Å | |
| C79 | H106 | sing | 1.09Å | 1.10Å | |
| C79 | H107 | sing | 1.09Å | 1.10Å | |
| C80 | N15 | sing | 1.47Å | 1.45Å | |
| C80 | H108 | sing | 1.09Å | 1.10Å | |
| C80 | H109 | sing | 1.09Å | 1.10Å | |
| N15 | C81 | sing | 1.37Å | 1.32Å | |
| N15 | H110 | sing | 0.97Å | 1.00Å | |
| C81 | N16 | sing | 1.33Å | 1.32Å | |
| C81 | N17 | doub | 1.33Å | 1.32Å | |
| N16 | H111 | sing | 0.97Å | 1.00Å | |
| N16 | H112 | sing | 0.97Å | 1.00Å | |
| N17 | H113 | sing | 0.97Å | 1.00Å | |
| N17 | H114 | sing | 0.97Å | 1.00Å | |
| C82 | O19 | doub | 1.21Å | 1.23Å | |
| C82 | O20 | sing | 1.34Å | 1.22Å | |
| O20 | H115 | sing | 0.97Å | 0.95Å | |
| C2 | N2 | sing | 1.35Å | 1.33Å | |
| C7 | N3 | sing | 1.35Å | 1.32Å | |
| C25 | N5 | sing | 1.35Å | 1.33Å | |
| C27 | N6 | sing | 1.35Å | 1.34Å | |
| C39 | N7 | sing | 1.35Å | 1.34Å | |
| C41 | N8 | sing | 1.35Å | 1.33Å | |
| C46 | N9 | sing | 1.35Å | 1.37Å | |
| C55 | N10 | sing | 1.35Å | 1.33Å | |
| C60 | N12 | sing | 1.35Å | 1.32Å | |
| C70 | N13 | sing | 1.35Å | 1.32Å | |
| C76 | N14 | sing | 1.35Å | 1.33Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | N1 | H1 | 109.5° | 110.9° |
| C1 | N1 | H2 | 109.5° | 111.0° |
| N1 | C1 | C2 | 108.6° | 109.5° |
| N1 | C1 | C3 | 109.0° | 109.5° |
| N1 | C1 | H3 | 111.1° | 109.5° |
| H1 | N1 | H2 | 109.5° | 111.0° |
| C2 | C1 | C3 | 106.8° | 109.5° |
| C2 | C1 | H3 | 110.6° | 109.4° |
| C1 | C2 | O1 | 118.2° | 120.0° |
| C1 | C2 | N2 | 116.6° | 120.0° |
| C3 | C1 | H3 | 110.6° | 109.5° |
| C1 | C3 | C4 | 112.8° | 109.4° |
| C1 | C3 | H4 | 108.6° | 109.4° |
| C1 | C3 | H5 | 108.6° | 109.5° |
| O1 | C2 | N2 | 125.2° | 120.0° |
| C4 | C3 | H4 | 108.6° | 109.5° |
| C4 | C3 | H5 | 108.6° | 109.5° |
| C3 | C4 | C5 | 113.8° | 109.4° |
| C3 | C4 | H6 | 108.3° | 109.5° |
| C3 | C4 | H7 | 108.3° | 109.5° |
| H4 | C3 | H5 | 109.4° | 109.5° |
| C5 | C4 | H6 | 108.4° | 109.5° |
| C5 | C4 | H7 | 108.4° | 109.4° |
| C4 | C5 | O2 | 118.1° | 120.0° |
| C4 | C5 | O3 | 118.0° | 120.0° |
| H6 | C4 | H7 | 109.5° | 109.5° |
| O2 | C5 | O3 | 124.0° | 120.0° |
| C5 | O3 | H8 | 109.5° | 117.0° |
| C6 | N2 | H9 | 119.2° | 120.0° |
| N2 | C6 | C7 | 107.4° | 109.5° |
| N2 | C6 | C8 | 111.8° | 109.5° |
| N2 | C6 | H10 | 106.6° | 109.4° |
| C6 | N2 | C2 | 121.5° | 120.0° |
| H9 | N2 | C2 | 119.3° | 120.0° |
| C7 | C6 | C8 | 118.2° | 109.5° |
| C7 | C6 | H10 | 106.1° | 109.4° |
| C6 | C7 | O4 | 119.8° | 120.0° |
| C6 | C7 | N3 | 115.5° | 120.0° |
| C8 | C6 | H10 | 106.1° | 109.5° |
| C6 | C8 | C9 | 112.2° | 109.5° |
| C6 | C8 | H11 | 108.8° | 109.4° |
| C6 | C8 | H12 | 108.8° | 109.5° |
| O4 | C7 | N3 | 124.7° | 120.0° |
| C9 | C8 | H11 | 108.8° | 109.5° |
| C9 | C8 | H12 | 108.8° | 109.5° |
| C8 | C9 | C10 | 120.9° | 120.0° |
| C8 | C9 | C11 | 120.9° | 120.0° |
| H11 | C8 | H12 | 109.5° | 109.4° |
| C10 | C9 | C11 | 118.2° | 120.0° |
| C9 | C10 | C12 | 121.0° | 120.0° |
| C9 | C10 | H13 | 119.5° | 120.0° |
| C9 | C11 | C13 | 120.7° | 120.0° |
| C9 | C11 | H14 | 119.6° | 120.0° |
| C12 | C10 | H13 | 119.5° | 120.0° |
| C10 | C12 | C14 | 120.2° | 120.0° |
| C10 | C12 | H15 | 119.9° | 120.0° |
| C13 | C11 | H14 | 119.7° | 120.0° |
| C11 | C13 | C14 | 120.4° | 120.0° |
| C11 | C13 | H16 | 119.8° | 120.0° |
| C14 | C12 | H15 | 119.9° | 120.0° |
| C12 | C14 | C13 | 119.5° | 120.0° |
| C12 | C14 | H17 | 120.2° | 120.0° |
| C14 | C13 | H16 | 119.8° | 120.0° |
| C13 | C14 | H17 | 120.3° | 120.0° |
| C15 | N3 | H18 | 119.0° | 120.0° |
| N3 | C15 | C16 | 113.3° | 109.4° |
| N3 | C15 | C25 | 107.8° | 109.5° |
| N3 | C15 | H19 | 107.7° | 109.5° |
| C15 | N3 | C7 | 122.0° | 120.0° |
| H18 | N3 | C7 | 119.0° | 120.0° |
| C16 | C15 | C25 | 113.7° | 109.5° |
| C16 | C15 | H19 | 107.0° | 109.5° |
| C15 | C16 | C17 | 116.9° | 109.5° |
| C15 | C16 | H20 | 107.6° | 109.4° |
| C15 | C16 | H21 | 107.6° | 109.5° |
| C25 | C15 | H19 | 107.0° | 109.5° |
| C15 | C25 | O5 | 117.6° | 120.0° |
| C15 | C25 | N5 | 118.6° | 120.0° |
| C17 | C16 | H20 | 107.6° | 109.5° |
| C17 | C16 | H21 | 107.6° | 109.5° |
| C16 | C17 | C18 | 124.7° | 126.5° |
| C16 | C17 | C24 | 129.7° | 126.5° |
| H20 | C16 | H21 | 109.5° | 109.5° |
| C18 | C17 | C24 | 105.5° | 107.0° |
| C17 | C18 | N4 | 111.0° | 109.9° |
| C17 | C18 | H22 | 124.5° | 125.0° |
| C17 | C24 | C19 | 107.4° | 106.0° |
| C17 | C24 | C23 | 134.7° | 134.0° |
| N4 | C18 | H22 | 124.5° | 125.0° |
| C18 | N4 | C19 | 108.6° | 109.9° |
| C18 | N4 | H23 | 125.7° | 125.1° |
| C19 | N4 | H23 | 125.7° | 125.1° |
| N4 | C19 | C20 | 129.7° | 133.5° |
| N4 | C19 | C24 | 107.4° | 107.2° |
| C20 | C19 | C24 | 122.9° | 119.3° |
| C19 | C20 | C21 | 117.4° | 119.8° |
| C19 | C20 | H24 | 121.3° | 120.1° |
| C19 | C24 | C23 | 117.9° | 119.9° |
| C21 | C20 | H24 | 121.3° | 120.1° |
| C20 | C21 | C22 | 121.1° | 120.7° |
| C20 | C21 | H25 | 119.4° | 119.6° |
| C22 | C21 | H25 | 119.4° | 119.7° |
| C21 | C22 | C23 | 120.9° | 120.5° |
| C21 | C22 | H26 | 119.6° | 119.7° |
| C23 | C22 | H26 | 119.6° | 119.7° |
| C22 | C23 | C24 | 119.8° | 119.8° |
| C22 | C23 | H27 | 120.1° | 120.1° |
| C24 | C23 | H27 | 120.1° | 120.1° |
| O5 | C25 | N5 | 123.8° | 120.0° |
| C26 | N5 | H28 | 119.9° | 120.0° |
| N5 | C26 | C27 | 113.3° | 109.5° |
| N5 | C26 | C28 | 109.5° | 109.5° |
| N5 | C26 | H29 | 109.0° | 109.4° |
| C26 | N5 | C25 | 120.1° | 120.0° |
| H28 | N5 | C25 | 120.0° | 120.0° |
| C27 | C26 | C28 | 107.9° | 109.5° |
| C27 | C26 | H29 | 108.5° | 109.4° |
| C26 | C27 | O6 | 118.5° | 120.0° |
| C26 | C27 | N6 | 117.4° | 120.0° |
| C28 | C26 | H29 | 108.5° | 109.5° |
| C26 | C28 | C29 | 114.8° | 109.5° |
| C26 | C28 | H30 | 108.1° | 109.5° |
| C26 | C28 | H31 | 108.1° | 109.4° |
| O6 | C27 | N6 | 124.0° | 120.1° |
| C29 | C28 | H30 | 108.1° | 109.5° |
| C29 | C28 | H31 | 108.1° | 109.5° |
| C28 | C29 | C30 | 121.2° | 119.9° |
| C28 | C29 | C31 | 121.1° | 119.9° |
| H30 | C28 | H31 | 109.4° | 109.5° |
| C30 | C29 | C31 | 117.6° | 120.2° |
| C29 | C30 | C32 | 121.6° | 120.0° |
| C29 | C30 | H32 | 119.2° | 120.0° |
| C29 | C31 | C33 | 121.8° | 120.0° |
| C29 | C31 | H33 | 119.1° | 120.0° |
| C32 | C30 | H32 | 119.2° | 119.9° |
| C30 | C32 | C34 | 119.7° | 119.9° |
| C30 | C32 | H34 | 120.2° | 120.0° |
| C33 | C31 | H33 | 119.1° | 120.0° |
| C31 | C33 | C34 | 119.7° | 119.9° |
| C31 | C33 | H35 | 120.1° | 120.0° |
| C34 | C32 | H34 | 120.1° | 120.0° |
| C32 | C34 | C33 | 119.6° | 119.9° |
| C32 | C34 | O7 | 120.2° | 120.1° |
| C34 | C33 | H35 | 120.2° | 120.0° |
| C33 | C34 | O7 | 120.2° | 120.0° |
| C34 | O7 | H36 | 109.5° | 114.0° |
| C35 | N6 | H37 | 118.9° | 120.0° |
| N6 | C35 | C36 | 111.3° | 109.5° |
| N6 | C35 | C39 | 111.0° | 109.5° |
| N6 | C35 | H38 | 108.0° | 109.5° |
| C35 | N6 | C27 | 122.2° | 120.0° |
| H37 | N6 | C27 | 118.9° | 120.1° |
| C36 | C35 | C39 | 111.3° | 109.4° |
| C36 | C35 | H38 | 107.5° | 109.4° |
| C35 | C36 | C37 | 111.8° | 109.5° |
| C35 | C36 | C38 | 111.7° | 109.4° |
| C35 | C36 | H39 | 107.3° | 109.5° |
| C39 | C35 | H38 | 107.6° | 109.5° |
| C35 | C39 | O8 | 118.0° | 120.0° |
| C35 | C39 | N7 | 117.7° | 120.0° |
| C37 | C36 | C38 | 110.7° | 109.5° |
| C37 | C36 | H39 | 107.5° | 109.5° |
| C36 | C37 | H40 | 109.5° | 109.4° |
| C36 | C37 | H41 | 109.5° | 109.5° |
| C36 | C37 | H42 | 109.5° | 109.4° |
| C38 | C36 | H39 | 107.6° | 109.4° |
| C36 | C38 | H43 | 109.5° | 109.5° |
| C36 | C38 | H44 | 109.5° | 109.5° |
| C36 | C38 | H45 | 109.5° | 109.5° |
| H40 | C37 | H41 | 109.4° | 109.5° |
| H40 | C37 | H42 | 109.5° | 109.5° |
| H41 | C37 | H42 | 109.5° | 109.5° |
| H43 | C38 | H44 | 109.5° | 109.4° |
| H43 | C38 | H45 | 109.5° | 109.5° |
| H44 | C38 | H45 | 109.5° | 109.4° |
| O8 | C39 | N7 | 124.3° | 120.0° |
| C40 | N7 | H46 | 118.8° | 120.0° |
| N7 | C40 | C41 | 106.6° | 109.5° |
| N7 | C40 | C42 | 110.4° | 109.5° |
| N7 | C40 | H47 | 109.3° | 109.5° |
| C40 | N7 | C39 | 122.4° | 120.0° |
| H46 | N7 | C39 | 118.8° | 120.0° |
| C41 | C40 | C42 | 112.7° | 109.4° |
| C41 | C40 | H47 | 109.1° | 109.5° |
| C40 | C41 | O9 | 121.5° | 120.0° |
| C40 | C41 | N8 | 114.5° | 120.0° |
| C42 | C40 | H47 | 108.8° | 109.5° |
| C40 | C42 | C43 | 113.5° | 109.4° |
| C40 | C42 | H48 | 108.4° | 109.5° |
| C40 | C42 | H49 | 108.5° | 109.4° |
| O9 | C41 | N8 | 123.9° | 120.0° |
| C43 | C42 | H48 | 108.5° | 109.5° |
| C43 | C42 | H49 | 108.4° | 109.5° |
| C42 | C43 | C44 | 114.7° | 109.4° |
| C42 | C43 | H50 | 108.2° | 109.5° |
| C42 | C43 | H51 | 108.2° | 109.5° |
| H48 | C42 | H49 | 109.5° | 109.5° |
| C44 | C43 | H50 | 108.2° | 109.5° |
| C44 | C43 | H51 | 108.2° | 109.5° |
| C43 | C44 | O10 | 118.2° | 120.0° |
| C43 | C44 | O11 | 118.2° | 120.0° |
| H50 | C43 | H51 | 109.4° | 109.5° |
| O10 | C44 | O11 | 123.5° | 120.0° |
| C44 | O11 | H52 | 109.5° | 117.0° |
| O12 | C46 | C45 | 118.7° | 120.1° |
| O12 | C46 | N9 | 124.2° | 120.0° |
| C46 | C45 | N8 | 109.2° | 109.4° |
| C46 | C45 | C47 | 97.8° | 109.5° |
| C46 | C45 | H54 | 112.1° | 109.5° |
| C45 | C46 | N9 | 116.8° | 120.0° |
| N8 | C45 | C47 | 109.2° | 109.5° |
| C45 | N8 | H53 | 118.6° | 120.0° |
| N8 | C45 | H54 | 113.6° | 109.5° |
| C45 | N8 | C41 | 122.8° | 120.0° |
| C45 | C47 | C48 | 108.5° | 109.5° |
| C47 | C45 | H54 | 113.8° | 109.5° |
| C45 | C47 | H55 | 109.7° | 109.5° |
| C45 | C47 | H56 | 109.7° | 109.5° |
| C47 | C48 | C49 | 121.1° | 120.0° |
| C47 | C48 | C50 | 118.7° | 120.0° |
| C48 | C47 | H55 | 109.7° | 109.5° |
| C48 | C47 | H56 | 109.7° | 109.5° |
| C48 | C49 | C51 | 121.1° | 120.0° |
| C49 | C48 | C50 | 120.2° | 120.0° |
| C48 | C49 | H57 | 119.4° | 120.0° |
| C49 | C51 | C53 | 117.1° | 120.0° |
| C51 | C49 | H57 | 119.4° | 120.0° |
| C49 | C51 | H59 | 121.4° | 120.1° |
| C48 | C50 | C52 | 117.9° | 120.0° |
| C48 | C50 | H58 | 121.1° | 120.0° |
| C51 | C53 | C52 | 123.1° | 120.0° |
| C51 | C53 | CL1 | 117.7° | 120.0° |
| C53 | C51 | H59 | 121.5° | 120.0° |
| C50 | C52 | C53 | 120.5° | 120.0° |
| C52 | C50 | H58 | 121.0° | 120.0° |
| C50 | C52 | H60 | 119.8° | 120.1° |
| C52 | C53 | CL1 | 119.2° | 120.0° |
| C53 | C52 | H60 | 119.7° | 120.0° |
| H53 | N8 | C41 | 118.6° | 120.0° |
| H55 | C47 | H56 | 109.5° | 109.4° |
| C54 | N9 | H61 | 119.7° | 120.0° |
| N9 | C54 | C55 | 111.0° | 109.5° |
| N9 | C54 | C56 | 106.2° | 109.5° |
| N9 | C54 | H62 | 110.0° | 109.5° |
| C54 | N9 | C46 | 120.6° | 120.0° |
| H61 | N9 | C46 | 119.7° | 120.0° |
| C55 | C54 | C56 | 111.0° | 109.5° |
| C55 | C54 | H62 | 109.5° | 109.4° |
| C54 | C55 | O13 | 116.6° | 120.0° |
| C54 | C55 | N10 | 116.8° | 120.0° |
| C56 | C54 | H62 | 109.2° | 109.4° |
| C54 | C56 | C57 | 116.4° | 109.4° |
| C54 | C56 | H63 | 107.7° | 109.5° |
| C54 | C56 | H64 | 107.7° | 109.5° |
| O13 | C55 | N10 | 126.1° | 120.0° |
| C57 | C56 | H63 | 107.7° | 109.5° |
| C57 | C56 | H64 | 107.7° | 109.5° |
| C56 | C57 | C58 | 110.4° | 109.4° |
| C56 | C57 | H65 | 109.2° | 109.5° |
| C56 | C57 | H66 | 109.2° | 109.5° |
| H63 | C56 | H64 | 109.5° | 109.5° |
| C58 | C57 | H65 | 109.2° | 109.5° |
| C58 | C57 | H66 | 109.2° | 109.5° |
| C57 | C58 | O14 | 114.6° | 120.0° |
| C57 | C58 | O15 | 122.7° | 120.0° |
| H65 | C57 | H66 | 109.5° | 109.5° |
| O14 | C58 | O15 | 122.8° | 119.9° |
| C58 | O15 | H67 | 109.5° | 117.0° |
| C59 | N10 | H68 | 118.8° | 120.0° |
| N10 | C59 | C60 | 108.1° | 109.5° |
| N10 | C59 | C61 | 109.2° | 109.4° |
| N10 | C59 | H69 | 110.5° | 109.5° |
| C59 | N10 | C55 | 122.4° | 120.0° |
| H68 | N10 | C55 | 118.8° | 120.0° |
| C60 | C59 | C61 | 109.2° | 109.5° |
| C60 | C59 | H69 | 109.9° | 109.5° |
| C59 | C60 | O16 | 118.6° | 120.0° |
| C59 | C60 | N12 | 116.4° | 120.0° |
| C61 | C59 | H69 | 109.9° | 109.5° |
| C59 | C61 | C62 | 113.7° | 109.5° |
| C59 | C61 | H70 | 108.4° | 109.4° |
| C59 | C61 | H71 | 108.4° | 109.5° |
| O16 | C60 | N12 | 124.9° | 120.0° |
| C62 | C61 | H70 | 108.4° | 109.5° |
| C62 | C61 | H71 | 108.4° | 109.5° |
| C61 | C62 | C63 | 112.5° | 109.5° |
| C61 | C62 | H72 | 108.7° | 109.5° |
| C61 | C62 | H73 | 108.7° | 109.5° |
| H70 | C61 | H71 | 109.4° | 109.4° |
| C63 | C62 | H72 | 108.7° | 109.5° |
| C63 | C62 | H73 | 108.7° | 109.5° |
| C62 | C63 | C64 | 112.7° | 109.5° |
| C62 | C63 | H74 | 108.7° | 109.5° |
| C62 | C63 | H75 | 108.6° | 109.4° |
| H72 | C62 | H73 | 109.5° | 109.4° |
| C64 | C63 | H74 | 108.7° | 109.5° |
| C64 | C63 | H75 | 108.7° | 109.5° |
| C63 | C64 | N11 | 110.2° | 109.5° |
| C63 | C64 | H76 | 109.3° | 109.5° |
| C63 | C64 | H77 | 109.3° | 109.5° |
| H74 | C63 | H75 | 109.5° | 109.5° |
| N11 | C64 | H76 | 109.3° | 109.5° |
| N11 | C64 | H77 | 109.3° | 109.5° |
| C64 | N11 | H78 | 109.5° | 111.0° |
| C64 | N11 | H79 | 109.5° | 111.0° |
| H76 | C64 | H77 | 109.5° | 109.5° |
| H78 | N11 | H79 | 109.5° | 111.1° |
| C65 | N12 | H80 | 118.9° | 120.1° |
| N12 | C65 | C66 | 110.1° | 109.5° |
| N12 | C65 | C70 | 105.8° | 109.4° |
| N12 | C65 | H81 | 110.1° | 109.5° |
| C65 | N12 | C60 | 122.2° | 119.9° |
| H80 | N12 | C60 | 118.9° | 120.0° |
| C66 | C65 | C70 | 111.4° | 109.5° |
| C66 | C65 | H81 | 109.6° | 109.5° |
| C65 | C66 | C67 | 117.9° | 109.4° |
| C65 | C66 | H82 | 107.3° | 109.4° |
| C65 | C66 | H83 | 107.3° | 109.5° |
| C70 | C65 | H81 | 109.8° | 109.4° |
| C65 | C70 | O17 | 120.3° | 120.0° |
| C65 | C70 | N13 | 114.8° | 120.0° |
| C67 | C66 | H82 | 107.3° | 109.5° |
| C67 | C66 | H83 | 107.3° | 109.5° |
| C66 | C67 | C68 | 112.2° | 109.5° |
| C66 | C67 | C69 | 111.5° | 109.5° |
| C66 | C67 | H84 | 107.4° | 109.5° |
| H82 | C66 | H83 | 109.5° | 109.5° |
| C68 | C67 | C69 | 110.9° | 109.5° |
| C68 | C67 | H84 | 107.4° | 109.5° |
| C67 | C68 | H85 | 109.5° | 109.4° |
| C67 | C68 | H86 | 109.5° | 109.5° |
| C67 | C68 | H87 | 109.5° | 109.5° |
| C69 | C67 | H84 | 107.2° | 109.5° |
| C67 | C69 | H88 | 109.5° | 109.4° |
| C67 | C69 | H89 | 109.5° | 109.5° |
| C67 | C69 | H90 | 109.4° | 109.4° |
| H85 | C68 | H86 | 109.5° | 109.5° |
| H85 | C68 | H87 | 109.5° | 109.5° |
| H86 | C68 | H87 | 109.5° | 109.5° |
| H88 | C69 | H89 | 109.5° | 109.6° |
| H88 | C69 | H90 | 109.5° | 109.4° |
| H89 | C69 | H90 | 109.5° | 109.5° |
| O17 | C70 | N13 | 124.8° | 120.0° |
| C71 | N13 | H91 | 118.6° | 119.9° |
| N13 | C71 | C72 | 108.1° | 109.4° |
| N13 | C71 | C76 | 106.9° | 109.5° |
| N13 | C71 | H92 | 110.1° | 109.4° |
| C71 | N13 | C70 | 122.9° | 120.0° |
| H91 | N13 | C70 | 118.6° | 120.0° |
| C72 | C71 | C76 | 112.9° | 109.5° |
| C72 | C71 | H92 | 109.4° | 109.4° |
| C71 | C72 | C73 | 117.1° | 109.5° |
| C71 | C72 | H93 | 107.5° | 109.5° |
| C71 | C72 | H94 | 107.5° | 109.5° |
| C76 | C71 | H92 | 109.4° | 109.5° |
| C71 | C76 | O18 | 118.5° | 120.0° |
| C71 | C76 | N14 | 118.4° | 120.0° |
| C73 | C72 | H93 | 107.5° | 109.4° |
| C73 | C72 | H94 | 107.5° | 109.5° |
| C72 | C73 | C74 | 109.2° | 109.5° |
| C72 | C73 | C75 | 110.4° | 109.5° |
| C72 | C73 | H95 | 108.6° | 109.4° |
| H93 | C72 | H94 | 109.4° | 109.5° |
| C74 | C73 | C75 | 110.8° | 109.5° |
| C74 | C73 | H95 | 108.9° | 109.5° |
| C73 | C74 | H96 | 109.5° | 109.5° |
| C73 | C74 | H97 | 109.5° | 109.5° |
| C73 | C74 | H98 | 109.5° | 109.4° |
| C75 | C73 | H95 | 108.9° | 109.5° |
| C73 | C75 | H99 | 109.5° | 109.5° |
| C73 | C75 | H100 | 109.5° | 109.4° |
| C73 | C75 | H101 | 109.5° | 109.5° |
| H96 | C74 | H97 | 109.4° | 109.5° |
| H96 | C74 | H98 | 109.5° | 109.5° |
| H97 | C74 | H98 | 109.5° | 109.5° |
| H99 | C75 | H100 | 109.4° | 109.5° |
| H99 | C75 | H101 | 109.5° | 109.5° |
| H100 | C75 | H101 | 109.5° | 109.5° |
| O18 | C76 | N14 | 123.1° | 120.0° |
| C77 | N14 | H102 | 120.3° | 120.0° |
| N14 | C77 | C78 | 110.5° | 109.5° |
| N14 | C77 | C82 | 108.7° | 109.4° |
| N14 | C77 | H103 | 109.7° | 109.4° |
| C77 | N14 | C76 | 119.3° | 120.0° |
| H102 | N14 | C76 | 120.4° | 120.1° |
| C78 | C77 | C82 | 109.4° | 109.5° |
| C78 | C77 | H103 | 109.2° | 109.5° |
| C77 | C78 | C79 | 114.5° | 109.5° |
| C77 | C78 | H104 | 108.2° | 109.5° |
| C77 | C78 | H105 | 108.2° | 109.5° |
| C82 | C77 | H103 | 109.2° | 109.5° |
| C77 | C82 | O19 | 117.5° | 120.0° |
| C77 | C82 | O20 | 117.0° | 120.0° |
| C79 | C78 | H104 | 108.2° | 109.5° |
| C79 | C78 | H105 | 108.2° | 109.5° |
| C78 | C79 | C80 | 108.3° | 109.5° |
| C78 | C79 | H106 | 109.8° | 109.5° |
| C78 | C79 | H107 | 109.7° | 109.5° |
| H104 | C78 | H105 | 109.5° | 109.4° |
| C80 | C79 | H106 | 109.8° | 109.4° |
| C80 | C79 | H107 | 109.8° | 109.5° |
| C79 | C80 | N15 | 113.4° | 109.5° |
| C79 | C80 | H108 | 108.5° | 109.5° |
| C79 | C80 | H109 | 108.5° | 109.5° |
| H106 | C79 | H107 | 109.5° | 109.5° |
| N15 | C80 | H108 | 108.5° | 109.4° |
| N15 | C80 | H109 | 108.5° | 109.5° |
| C80 | N15 | C81 | 123.8° | 120.0° |
| C80 | N15 | H110 | 118.1° | 120.0° |
| H108 | C80 | H109 | 109.5° | 109.5° |
| C81 | N15 | H110 | 118.1° | 119.9° |
| N15 | C81 | N16 | 119.7° | 120.0° |
| N15 | C81 | N17 | 120.2° | 120.0° |
| N16 | C81 | N17 | 120.1° | 120.0° |
| C81 | N16 | H111 | 120.0° | 120.1° |
| C81 | N16 | H112 | 120.0° | 120.0° |
| C81 | N17 | H113 | 120.0° | 120.0° |
| C81 | N17 | H114 | 120.0° | 120.0° |
| H111 | N16 | H112 | 120.0° | 119.9° |
| H113 | N17 | H114 | 120.0° | 120.0° |
| O19 | C82 | O20 | 125.5° | 120.0° |
| C82 | O20 | H115 | 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 | 117.4° | 120.0° |
| N1 | C1 | C2 | H3 | 122.2° | 120.0° |
| N1 | C1 | C3 | H3 | 122.5° | 120.1° |
| N1 | C1 | C2 | O1 | 20.2° | 20.0° |
| N1 | C1 | C3 | C4 | 20.7° | 65.0° |
| N1 | C1 | C3 | H4 | 99.8° | 174.9° |
| N1 | C1 | C3 | H5 | 141.2° | 55.0° |
| N1 | C1 | C2 | N2 | 160.2° | 160.0° |
| H1 | N1 | C1 | C2 | 180.0° | 176.1° |
| H1 | N1 | C1 | C3 | 64.0° | 64.0° |
| H1 | N1 | C1 | H3 | 58.1° | 56.1° |
| H2 | N1 | C1 | C2 | 60.0° | 60.0° |
| H2 | N1 | C1 | C3 | 56.0° | 60.0° |
| H2 | N1 | C1 | H3 | 178.1° | 180.0° |
| C2 | C1 | C3 | H3 | 120.4° | 120.0° |
| C1 | C2 | O1 | N2 | 179.6° | 180.0° |
| C2 | C1 | C3 | C4 | 96.4° | 175.0° |
| C2 | C1 | C3 | H4 | 143.1° | 55.0° |
| C2 | C1 | C3 | H5 | 24.1° | 65.0° |
| C1 | C2 | N2 | C6 | 178.4° | 180.0° |
| C1 | C2 | N2 | H9 | 1.5° | 0.0° |
| C3 | C1 | C2 | O1 | 137.6° | 100.0° |
| C1 | C3 | C4 | H4 | 120.5° | 120.0° |
| C1 | C3 | C4 | H5 | 120.5° | 120.0° |
| C1 | C3 | H4 | H5 | 118.5° | 119.9° |
| C1 | C3 | C4 | C5 | 135.9° | 180.0° |
| C1 | C3 | C4 | H6 | 15.3° | 60.0° |
| C1 | C3 | C4 | H7 | 103.4° | 60.0° |
| C3 | C1 | C2 | N2 | 42.8° | 80.0° |
| H3 | C1 | C2 | O1 | 102.0° | 140.0° |
| H3 | C1 | C3 | C4 | 143.2° | 55.0° |
| H3 | C1 | C3 | H4 | 22.6° | 65.0° |
| H3 | C1 | C3 | H5 | 96.3° | 175.0° |
| H3 | C1 | C2 | N2 | 77.6° | 40.0° |
| O1 | C2 | N2 | C6 | 2.0° | 0.0° |
| O1 | C2 | N2 | H9 | 178.0° | 179.9° |
| C4 | C3 | H4 | H5 | 118.4° | 120.1° |
| C3 | C4 | C5 | H6 | 120.6° | 120.0° |
| C3 | C4 | C5 | H7 | 120.6° | 120.0° |
| C3 | C4 | H6 | H7 | 118.0° | 120.0° |
| C3 | C4 | C5 | O2 | 51.6° | 0.0° |
| C3 | C4 | C5 | O3 | 128.0° | 180.0° |
| H4 | C3 | C4 | C5 | 103.5° | 60.0° |
| H4 | C3 | C4 | H6 | 135.8° | 180.0° |
| H4 | C3 | C4 | H7 | 17.1° | 59.9° |
| H5 | C3 | C4 | C5 | 15.4° | 60.0° |
| H5 | C3 | C4 | H6 | 105.2° | 60.0° |
| H5 | C3 | C4 | H7 | 136.1° | 180.0° |
| C5 | C4 | H6 | H7 | 118.0° | 120.0° |
| C4 | C5 | O2 | O3 | 179.6° | 180.0° |
| C4 | C5 | O3 | H8 | 179.6° | 180.0° |
| H6 | C4 | C5 | O2 | 172.3° | 120.0° |
| H6 | C4 | C5 | O3 | 7.4° | 60.0° |
| H7 | C4 | C5 | O2 | 69.0° | 120.0° |
| H7 | C4 | C5 | O3 | 111.3° | 60.0° |
| O2 | C5 | O3 | H8 | 0.0° | 0.0° |
| C6 | N2 | H9 | C2 | 180.0° | 179.9° |
| N2 | C6 | C7 | C8 | 127.6° | 120.0° |
| N2 | C6 | C7 | H10 | 113.7° | 119.9° |
| N2 | C6 | C8 | H10 | 115.8° | 120.0° |
| N2 | C6 | C7 | O4 | 54.8° | 0.1° |
| N2 | C6 | C8 | C9 | 88.8° | 65.0° |
| N2 | C6 | C8 | H11 | 150.8° | 175.0° |
| N2 | C6 | C8 | H12 | 31.6° | 55.1° |
| N2 | C6 | C7 | N3 | 124.9° | 180.0° |
| H9 | N2 | C6 | C7 | 67.0° | 25.0° |
| H9 | N2 | C6 | C8 | 64.2° | 95.1° |
| H9 | N2 | C6 | H10 | 179.6° | 144.9° |
| C7 | C6 | C8 | H10 | 118.8° | 120.0° |
| C6 | C7 | O4 | N3 | 179.7° | 179.9° |
| C7 | C6 | C8 | C9 | 145.8° | 175.0° |
| C7 | C6 | C8 | H11 | 25.3° | 55.0° |
| C7 | C6 | C8 | H12 | 93.8° | 65.0° |
| C6 | C7 | N3 | C15 | 172.6° | 179.9° |
| C6 | C7 | N3 | H18 | 7.5° | 0.0° |
| C7 | C6 | N2 | C2 | 113.0° | 154.9° |
| C8 | C6 | C7 | O4 | 72.8° | 120.0° |
| C6 | C8 | C9 | H11 | 120.4° | 120.0° |
| C6 | C8 | C9 | H12 | 120.4° | 120.0° |
| C6 | C8 | H11 | H12 | 118.7° | 119.9° |
| C6 | C8 | C9 | C10 | 94.7° | 90.0° |
| C6 | C8 | C9 | C11 | 82.5° | 90.3° |
| C8 | C6 | N2 | C2 | 115.9° | 85.0° |
| C8 | C6 | C7 | N3 | 107.5° | 60.0° |
| H10 | C6 | C7 | O4 | 168.5° | 120.0° |
| H10 | C6 | C8 | C9 | 27.0° | 55.0° |
| H10 | C6 | C8 | H11 | 93.5° | 65.0° |
| H10 | C6 | C8 | H12 | 147.4° | 175.0° |
| H10 | C6 | N2 | C2 | 0.4° | 35.0° |
| H10 | C6 | C7 | N3 | 11.3° | 60.1° |
| O4 | C7 | N3 | C15 | 7.2° | 0.0° |
| O4 | C7 | N3 | H18 | 172.8° | 180.0° |
| C9 | C8 | H11 | H12 | 118.7° | 120.0° |
| C8 | C9 | C10 | C11 | 177.3° | 179.7° |
| C8 | C9 | C10 | C12 | 178.9° | 180.0° |
| C8 | C9 | C10 | H13 | 1.1° | 0.0° |
| C8 | C9 | C11 | C13 | 178.4° | 180.0° |
| C8 | C9 | C11 | H14 | 1.6° | 0.0° |
| H11 | C8 | C9 | C10 | 25.7° | 30.0° |
| H11 | C8 | C9 | C11 | 157.1° | 149.7° |
| H12 | C8 | C9 | C10 | 144.9° | 150.0° |
| H12 | C8 | C9 | C11 | 37.9° | 29.7° |
| C9 | C10 | C12 | H13 | 180.0° | 180.0° |
| C10 | C9 | C11 | C13 | 1.1° | 0.3° |
| C10 | C9 | C11 | H14 | 178.9° | 179.8° |
| C9 | C10 | C12 | C14 | 1.2° | 0.0° |
| C9 | C10 | C12 | H15 | 178.9° | 180.0° |
| C11 | C9 | C10 | C12 | 1.6° | 0.3° |
| C11 | C9 | C10 | H13 | 178.4° | 179.7° |
| C9 | C11 | C13 | H14 | 180.0° | 180.0° |
| C9 | C11 | C13 | C14 | 0.1° | 0.0° |
| C9 | C11 | C13 | H16 | 179.9° | 180.0° |
| C10 | C12 | C14 | H15 | 180.0° | 180.0° |
| C10 | C12 | C14 | C13 | 0.2° | 0.3° |
| C10 | C12 | C14 | H17 | 179.8° | 180.0° |
| H13 | C10 | C12 | C14 | 178.8° | 180.0° |
| H13 | C10 | C12 | H15 | 1.2° | 0.1° |
| C11 | C13 | C14 | C12 | 0.3° | 0.3° |
| C11 | C13 | C14 | H16 | 180.0° | 180.0° |
| C11 | C13 | C14 | H17 | 179.7° | 180.0° |
| H14 | C11 | C13 | C14 | 179.8° | 180.0° |
| H14 | C11 | C13 | H16 | 0.1° | 0.0° |
| C12 | C14 | C13 | H17 | 180.0° | 179.7° |
| C12 | C14 | C13 | H16 | 179.6° | 179.7° |
| H15 | C12 | C14 | C13 | 179.8° | 179.8° |
| H15 | C12 | C14 | H17 | 0.2° | 0.0° |
| H16 | C13 | C14 | H17 | 0.4° | 0.0° |
| C15 | N3 | H18 | C7 | 180.0° | 180.0° |
| N3 | C15 | C16 | C25 | 123.6° | 120.0° |
| N3 | C15 | C16 | H19 | 118.5° | 120.0° |
| N3 | C15 | C25 | H19 | 115.6° | 120.0° |
| N3 | C15 | C16 | C17 | 78.9° | 65.0° |
| N3 | C15 | C16 | H20 | 42.2° | 175.0° |
| N3 | C15 | C16 | H21 | 160.0° | 55.0° |
| N3 | C15 | C25 | O5 | 138.5° | 0.0° |
| N3 | C15 | C25 | N5 | 39.3° | 180.0° |
| H18 | N3 | C15 | C16 | 3.4° | 95.0° |
| H18 | N3 | C15 | C25 | 123.4° | 24.9° |
| H18 | N3 | C15 | H19 | 121.4° | 145.0° |
| C16 | C15 | C25 | H19 | 117.9° | 120.0° |
| C15 | C16 | C17 | H20 | 121.1° | 120.0° |
| C15 | C16 | C17 | H21 | 121.1° | 120.0° |
| C15 | C16 | H20 | H21 | 116.6° | 120.0° |
| C15 | C16 | C17 | C18 | 106.9° | 95.0° |
| C15 | C16 | C17 | C24 | 76.7° | 84.7° |
| C16 | C15 | C25 | O5 | 94.9° | 120.0° |
| C16 | C15 | N3 | C7 | 176.7° | 85.0° |
| C16 | C15 | C25 | N5 | 87.2° | 60.1° |
| C25 | C15 | C16 | C17 | 44.7° | 175.0° |
| C25 | C15 | C16 | H20 | 165.8° | 55.0° |
| C25 | C15 | C16 | H21 | 76.4° | 65.0° |
| C15 | C25 | O5 | N5 | 177.7° | 179.9° |
| C15 | C25 | N5 | C26 | 173.7° | 180.0° |
| C15 | C25 | N5 | H28 | 6.3° | 0.1° |
| C25 | C15 | N3 | C7 | 56.6° | 155.0° |
| H19 | C15 | C16 | C17 | 162.6° | 55.0° |
| H19 | C15 | C16 | H20 | 76.3° | 65.0° |
| H19 | C15 | C16 | H21 | 41.5° | 175.0° |
| H19 | C15 | C25 | O5 | 23.0° | 120.0° |
| H19 | C15 | N3 | C7 | 58.6° | 35.0° |
| H19 | C15 | C25 | N5 | 154.9° | 59.9° |
| C17 | C16 | H20 | H21 | 116.6° | 120.0° |
| C16 | C17 | C18 | C24 | 177.1° | 179.7° |
| C16 | C17 | C18 | N4 | 177.6° | 180.0° |
| C16 | C17 | C18 | H22 | 2.4° | 0.0° |
| C16 | C17 | C24 | C19 | 177.3° | 179.9° |
| C16 | C17 | C24 | C23 | 1.4° | 0.7° |
| H20 | C16 | C17 | C18 | 14.2° | 145.0° |
| H20 | C16 | C17 | C24 | 162.2° | 35.3° |
| H21 | C16 | C17 | C18 | 132.0° | 25.0° |
| H21 | C16 | C17 | C24 | 44.4° | 155.3° |
| C17 | C18 | N4 | H22 | 180.0° | 180.0° |
| C17 | C18 | N4 | C19 | 0.4° | 0.0° |
| C17 | C18 | N4 | H23 | 179.6° | 180.0° |
| C18 | C17 | C24 | C19 | 0.4° | 0.4° |
| C18 | C17 | C24 | C23 | 178.4° | 179.5° |
| C24 | C17 | C18 | N4 | 0.5° | 0.2° |
| C24 | C17 | C18 | H22 | 179.5° | 179.8° |
| C17 | C24 | C19 | N4 | 0.1° | 0.4° |
| C17 | C24 | C19 | C20 | 179.7° | 179.9° |
| C17 | C24 | C19 | C23 | 179.0° | 179.3° |
| C17 | C24 | C23 | C22 | 179.1° | 179.7° |
| C17 | C24 | C23 | H27 | 0.9° | 0.6° |
| C18 | N4 | C19 | H23 | 180.0° | 179.9° |
| C18 | N4 | C19 | C20 | 180.0° | 180.0° |
| C18 | N4 | C19 | C24 | 0.2° | 0.3° |
| H22 | C18 | N4 | C19 | 179.6° | 180.0° |
| H22 | C18 | N4 | H23 | 0.4° | 0.0° |
| N4 | C19 | C20 | C24 | 179.8° | 179.6° |
| N4 | C19 | C20 | C21 | 179.7° | 179.9° |
| N4 | C19 | C20 | H24 | 0.3° | 0.1° |
| N4 | C19 | C24 | C23 | 178.8° | 179.7° |
| H23 | N4 | C19 | C20 | 0.0° | 0.1° |
| H23 | N4 | C19 | C24 | 179.8° | 179.8° |
| C19 | C20 | C21 | H24 | 180.0° | 179.9° |
| C19 | C20 | C21 | C22 | 1.1° | 0.0° |
| C19 | C20 | C21 | H25 | 178.9° | 179.9° |
| C20 | C19 | C24 | C23 | 1.3° | 0.6° |
| C24 | C19 | C20 | C21 | 0.5° | 0.3° |
| C24 | C19 | C20 | H24 | 179.5° | 179.8° |
| C19 | C24 | C23 | C22 | 0.5° | 0.6° |
| C19 | C24 | C23 | H27 | 179.5° | 179.7° |
| C20 | C21 | C22 | H25 | 180.0° | 180.0° |
| C20 | C21 | C22 | C23 | 1.9° | 0.1° |
| C20 | C21 | C22 | H26 | 178.1° | 179.9° |
| H24 | C20 | C21 | C22 | 178.9° | 180.0° |
| H24 | C20 | C21 | H25 | 1.1° | 0.0° |
| C21 | C22 | C23 | H26 | 180.0° | 179.9° |
| C21 | C22 | C23 | C24 | 1.1° | 0.4° |
| C21 | C22 | C23 | H27 | 178.9° | 180.0° |
| H25 | C21 | C22 | C23 | 178.1° | 179.9° |
| H25 | C21 | C22 | H26 | 1.9° | 0.0° |
| C22 | C23 | C24 | H27 | 180.0° | 179.7° |
| H26 | C22 | C23 | C24 | 179.0° | 179.8° |
| H26 | C22 | C23 | H27 | 1.0° | 0.1° |
| O5 | C25 | N5 | C26 | 8.6° | 0.0° |
| O5 | C25 | N5 | H28 | 171.4° | 180.0° |
| C26 | N5 | H28 | C25 | 180.0° | 179.9° |
| N5 | C26 | C27 | C28 | 121.4° | 120.0° |
| N5 | C26 | C27 | H29 | 121.2° | 120.0° |
| N5 | C26 | C28 | H29 | 118.9° | 120.0° |
| N5 | C26 | C27 | O6 | 154.2° | 0.0° |
| N5 | C26 | C28 | C29 | 54.9° | 65.0° |
| N5 | C26 | C28 | H30 | 65.9° | 175.0° |
| N5 | C26 | C28 | H31 | 175.7° | 55.0° |
| N5 | C26 | C27 | N6 | 28.2° | 180.0° |
| H28 | N5 | C26 | C27 | 84.0° | 25.0° |
| H28 | N5 | C26 | C28 | 36.5° | 95.0° |
| H28 | N5 | C26 | H29 | 155.0° | 145.0° |
| C27 | C26 | C28 | H29 | 117.4° | 120.0° |
| C26 | C27 | O6 | N6 | 177.5° | 180.0° |
| C27 | C26 | C28 | C29 | 68.9° | 175.0° |
| C27 | C26 | C28 | H30 | 170.3° | 54.9° |
| C27 | C26 | C28 | H31 | 51.9° | 65.0° |
| C26 | C27 | N6 | C35 | 178.3° | 180.0° |
| C26 | C27 | N6 | H37 | 1.7° | 0.0° |
| C27 | C26 | N5 | C25 | 96.0° | 155.0° |
| C28 | C26 | C27 | O6 | 32.8° | 120.0° |
| C26 | C28 | C29 | H30 | 120.8° | 120.0° |
| C26 | C28 | C29 | H31 | 120.8° | 119.9° |
| C26 | C28 | H30 | H31 | 117.6° | 119.9° |
| C26 | C28 | C29 | C30 | 95.9° | 90.1° |
| C26 | C28 | C29 | C31 | 85.8° | 90.3° |
| C28 | C26 | N5 | C25 | 143.5° | 85.0° |
| C28 | C26 | C27 | N6 | 149.6° | 60.0° |
| H29 | C26 | C27 | O6 | 84.6° | 120.0° |
| H29 | C26 | C28 | C29 | 173.7° | 55.0° |
| H29 | C26 | C28 | H30 | 52.9° | 65.0° |
| H29 | C26 | C28 | H31 | 65.5° | 175.0° |
| H29 | C26 | N5 | C25 | 24.9° | 35.0° |
| H29 | C26 | C27 | N6 | 93.0° | 60.0° |
| O6 | C27 | N6 | C35 | 4.2° | 0.0° |
| O6 | C27 | N6 | H37 | 175.7° | 180.0° |
| C29 | C28 | H30 | H31 | 117.6° | 120.1° |
| C28 | C29 | C30 | C31 | 178.3° | 179.7° |
| C28 | C29 | C30 | C32 | 178.4° | 180.0° |
| C28 | C29 | C30 | H32 | 1.7° | 0.1° |
| C28 | C29 | C31 | C33 | 178.6° | 179.9° |
| C28 | C29 | C31 | H33 | 1.4° | 0.1° |
| H30 | C28 | C29 | C30 | 24.9° | 29.9° |
| H30 | C28 | C29 | C31 | 153.4° | 149.7° |
| H31 | C28 | C29 | C30 | 143.3° | 150.0° |
| H31 | C28 | C29 | C31 | 35.0° | 29.6° |
| C29 | C30 | C32 | H32 | 180.0° | 180.0° |
| C30 | C29 | C31 | C33 | 0.2° | 0.3° |
| C30 | C29 | C31 | H33 | 179.7° | 179.7° |
| C29 | C30 | C32 | C34 | 0.3° | 0.0° |
| C29 | C30 | C32 | H34 | 179.7° | 180.0° |
| C31 | C29 | C30 | C32 | 0.0° | 0.3° |
| C31 | C29 | C30 | H32 | 180.0° | 179.7° |
| C29 | C31 | C33 | H33 | 180.0° | 180.0° |
| C29 | C31 | C33 | C34 | 0.1° | 0.0° |
| C29 | C31 | C33 | H35 | 180.0° | 180.0° |
| C30 | C32 | C34 | H34 | 180.0° | 179.9° |
| C30 | C32 | C34 | C33 | 0.5° | 0.3° |
| C30 | C32 | C34 | O7 | 179.4° | 180.0° |
| H32 | C30 | C32 | C34 | 179.7° | 180.0° |
| H32 | C30 | C32 | H34 | 0.3° | 0.0° |
| C31 | C33 | C34 | C32 | 0.3° | 0.3° |
| C31 | C33 | C34 | H35 | 180.0° | 180.0° |
| C31 | C33 | C34 | O7 | 179.2° | 179.9° |
| H33 | C31 | C33 | C34 | 179.9° | 180.0° |
| H33 | C31 | C33 | H35 | 0.1° | 0.0° |
| C32 | C34 | C33 | O7 | 178.9° | 179.7° |
| C32 | C34 | C33 | H35 | 179.7° | 179.7° |
| C32 | C34 | O7 | H36 | 180.0° | 90.0° |
| H34 | C32 | C34 | C33 | 179.5° | 179.7° |
| H34 | C32 | C34 | O7 | 0.6° | 0.0° |
| C33 | C34 | O7 | H36 | 1.1° | 89.7° |
| H35 | C33 | C34 | O7 | 0.7° | 0.1° |
| C35 | N6 | H37 | C27 | 180.0° | 180.0° |
| N6 | C35 | C36 | C39 | 124.4° | 120.0° |
| N6 | C35 | C36 | H38 | 118.1° | 120.0° |
| N6 | C35 | C39 | H38 | 118.0° | 120.0° |
| N6 | C35 | C36 | C37 | 159.8° | 55.3° |
| N6 | C35 | C36 | C38 | 75.6° | 64.7° |
| N6 | C35 | C36 | H39 | 42.1° | 175.4° |
| N6 | C35 | C39 | O8 | 132.3° | 18.5° |
| N6 | C35 | C39 | N7 | 47.8° | 161.5° |
| H37 | N6 | C35 | C36 | 6.1° | 95.0° |
| H37 | N6 | C35 | C39 | 118.4° | 25.0° |
| H37 | N6 | C35 | H38 | 123.9° | 145.0° |
| C36 | C35 | C39 | H38 | 117.5° | 119.9° |
| C35 | C36 | C37 | C38 | 125.2° | 120.0° |
| C35 | C36 | C37 | H39 | 117.6° | 120.1° |
| C35 | C36 | C38 | H39 | 117.5° | 120.0° |
| C35 | C36 | C37 | H40 | 180.0° | 59.9° |
| C35 | C36 | C37 | H41 | 60.0° | 180.0° |
| C35 | C36 | C37 | H42 | 60.0° | 60.0° |
| C35 | C36 | C38 | H43 | 180.0° | 53.4° |
| C35 | C36 | C38 | H44 | 60.0° | 173.3° |
| C35 | C36 | C38 | H45 | 60.0° | 66.7° |
| C36 | C35 | C39 | O8 | 103.1° | 101.6° |
| C36 | C35 | N6 | C27 | 173.9° | 85.0° |
| C36 | C35 | C39 | N7 | 76.7° | 78.5° |
| C39 | C35 | C36 | C37 | 75.8° | 64.7° |
| C39 | C35 | C36 | C38 | 48.8° | 175.3° |
| C39 | C35 | C36 | H39 | 166.5° | 55.4° |
| C35 | C39 | O8 | N7 | 179.8° | 180.0° |
| C35 | C39 | N7 | C40 | 177.1° | 174.8° |
| C35 | C39 | N7 | H46 | 2.9° | 5.3° |
| C39 | C35 | N6 | C27 | 61.6° | 155.0° |
| H38 | C35 | C36 | C37 | 41.7° | 175.4° |
| H38 | C35 | C36 | C38 | 166.3° | 55.4° |
| H38 | C35 | C36 | H39 | 76.0° | 64.6° |
| H38 | C35 | C39 | O8 | 14.4° | 138.5° |
| H38 | C35 | N6 | C27 | 56.1° | 35.0° |
| H38 | C35 | C39 | N7 | 165.8° | 41.5° |
| C37 | C36 | C38 | H39 | 117.2° | 120.0° |
| C36 | C37 | H40 | H41 | 120.0° | 120.1° |
| C36 | C37 | H40 | H42 | 120.0° | 119.9° |
| C36 | C37 | H41 | H42 | 120.0° | 120.0° |
| C37 | C36 | C38 | H43 | 54.8° | 173.4° |
| C37 | C36 | C38 | H44 | 65.3° | 66.6° |
| C37 | C36 | C38 | H45 | 174.8° | 53.3° |
| C38 | C36 | C37 | H40 | 54.8° | 60.1° |
| C38 | C36 | C37 | H41 | 174.8° | 60.0° |
| C38 | C36 | C37 | H42 | 65.2° | 180.0° |
| C36 | C38 | H43 | H44 | 120.0° | 120.0° |
| C36 | C38 | H43 | H45 | 120.0° | 120.0° |
| C36 | C38 | H44 | H45 | 120.0° | 120.0° |
| H39 | C36 | C37 | H40 | 62.4° | 180.0° |
| H39 | C36 | C37 | H41 | 57.5° | 59.9° |
| H39 | C36 | C37 | H42 | 177.6° | 60.1° |
| H39 | C36 | C38 | H43 | 62.4° | 66.6° |
| H39 | C36 | C38 | H44 | 177.5° | 53.3° |
| H39 | C36 | C38 | H45 | 57.6° | 173.3° |
| H40 | C37 | H41 | H42 | 120.0° | 120.0° |
| H43 | C38 | H44 | H45 | 120.0° | 119.9° |
| O8 | C39 | N7 | C40 | 2.7° | 5.2° |
| O8 | C39 | N7 | H46 | 177.3° | 174.7° |
| C40 | N7 | H46 | C39 | 180.0° | 179.9° |
| N7 | C40 | C41 | C42 | 121.2° | 120.0° |
| N7 | C40 | C41 | H47 | 117.9° | 120.0° |
| N7 | C40 | C42 | H47 | 119.9° | 120.1° |
| N7 | C40 | C41 | O9 | 148.8° | 0.1° |
| N7 | C40 | C42 | C43 | 48.0° | 65.0° |
| N7 | C40 | C42 | H48 | 168.6° | 175.0° |
| N7 | C40 | C42 | H49 | 72.6° | 55.0° |
| N7 | C40 | C41 | N8 | 32.1° | 180.0° |
| H46 | N7 | C40 | C41 | 97.4° | 24.9° |
| H46 | N7 | C40 | C42 | 25.2° | 95.0° |
| H46 | N7 | C40 | H47 | 144.8° | 144.9° |
| C41 | C40 | C42 | H47 | 121.1° | 120.0° |
| C40 | C41 | O9 | N8 | 179.0° | 179.9° |
| C41 | C40 | C42 | C43 | 167.0° | 175.0° |
| C41 | C40 | C42 | H48 | 72.4° | 55.0° |
| C41 | C40 | C42 | H49 | 46.4° | 65.0° |
| C40 | C41 | N8 | C45 | 177.8° | 180.0° |
| C40 | C41 | N8 | H53 | 2.2° | 0.1° |
| C41 | C40 | N7 | C39 | 82.6° | 155.0° |
| C42 | C40 | C41 | O9 | 90.0° | 120.0° |
| C40 | C42 | C43 | H48 | 120.6° | 120.0° |
| C40 | C42 | C43 | H49 | 120.6° | 120.0° |
| C40 | C42 | H48 | H49 | 118.2° | 120.0° |
| C40 | C42 | C43 | C44 | 87.1° | 180.0° |
| C40 | C42 | C43 | H50 | 152.2° | 60.0° |
| C40 | C42 | C43 | H51 | 33.7° | 60.0° |
| C42 | C40 | N7 | C39 | 154.8° | 85.0° |
| C42 | C40 | C41 | N8 | 89.1° | 60.0° |
| H47 | C40 | C41 | O9 | 30.8° | 120.0° |
| H47 | C40 | C42 | C43 | 71.9° | 55.0° |
| H47 | C40 | C42 | H48 | 48.6° | 64.9° |
| H47 | C40 | C42 | H49 | 167.5° | 175.0° |
| H47 | C40 | N7 | C39 | 35.2° | 35.0° |
| H47 | C40 | C41 | N8 | 150.1° | 59.9° |
| O9 | C41 | N8 | C45 | 1.3° | 0.0° |
| O9 | C41 | N8 | H53 | 178.7° | 180.0° |
| C43 | C42 | H48 | H49 | 118.2° | 120.1° |
| C42 | C43 | C44 | H50 | 120.8° | 120.0° |
| C42 | C43 | C44 | H51 | 120.8° | 120.0° |
| C42 | C43 | H50 | H51 | 117.6° | 120.0° |
| C42 | C43 | C44 | O10 | 85.3° | 0.0° |
| C42 | C43 | C44 | O11 | 94.7° | 180.0° |
| H48 | C42 | C43 | C44 | 33.5° | 60.0° |
| H48 | C42 | C43 | H50 | 87.3° | 180.0° |
| H48 | C42 | C43 | H51 | 154.3° | 60.0° |
| H49 | C42 | C43 | C44 | 152.4° | 60.0° |
| H49 | C42 | C43 | H50 | 31.6° | 59.9° |
| H49 | C42 | C43 | H51 | 86.9° | 180.0° |
| C44 | C43 | H50 | H51 | 117.6° | 120.0° |
| C43 | C44 | O10 | O11 | 179.9° | 180.0° |
| C43 | C44 | O11 | H52 | 179.9° | 180.0° |
| H50 | C43 | C44 | O10 | 153.9° | 120.0° |
| H50 | C43 | C44 | O11 | 26.1° | 60.0° |
| H51 | C43 | C44 | O10 | 35.5° | 120.0° |
| H51 | C43 | C44 | O11 | 144.6° | 60.0° |
| O10 | C44 | O11 | H52 | 0.0° | 0.0° |
| O12 | C46 | C45 | N9 | 173.7° | 179.9° |
| O12 | C46 | C45 | N8 | 137.0° | 0.1° |
| O12 | C46 | C45 | C47 | 109.5° | 119.9° |
| O12 | C46 | C45 | H54 | 10.2° | 120.0° |
| O12 | C46 | N9 | C54 | 3.0° | 0.1° |
| O12 | C46 | N9 | H61 | 177.0° | 180.0° |
| C46 | C45 | N8 | C47 | 105.8° | 120.0° |
| C46 | C45 | N8 | H54 | 125.9° | 120.0° |
| C46 | C45 | C47 | H54 | 118.4° | 120.0° |
| C46 | C45 | C47 | C48 | 80.6° | 175.0° |
| C46 | C45 | N8 | H53 | 119.8° | 25.0° |
| C46 | C45 | C47 | H55 | 39.2° | 55.0° |
| C46 | C45 | C47 | H56 | 159.5° | 64.9° |
| C45 | C46 | N9 | C54 | 170.3° | 180.0° |
| C45 | C46 | N9 | H61 | 9.7° | 0.1° |
| C46 | C45 | N8 | C41 | 60.2° | 154.9° |
| N8 | C45 | C47 | H54 | 128.1° | 120.0° |
| N8 | C45 | C47 | C48 | 165.9° | 65.0° |
| C45 | N8 | H53 | C41 | 180.0° | 180.0° |
| N8 | C45 | C47 | H55 | 74.2° | 175.0° |
| N8 | C45 | C47 | H56 | 46.0° | 55.0° |
| N8 | C45 | C46 | N9 | 49.3° | 180.0° |
| C45 | C47 | C48 | H55 | 119.8° | 120.0° |
| C45 | C47 | C48 | H56 | 119.9° | 120.1° |
| C45 | C47 | C48 | C49 | 105.4° | 89.8° |
| C45 | C47 | C48 | C50 | 75.3° | 90.0° |
| C47 | C45 | N8 | H53 | 14.0° | 95.0° |
| C45 | C47 | H55 | H56 | 120.4° | 120.0° |
| C47 | C45 | N8 | C41 | 166.0° | 85.0° |
| C47 | C45 | C46 | N9 | 64.2° | 60.0° |
| C47 | C48 | C49 | C50 | 179.2° | 179.8° |
| C47 | C48 | C49 | C51 | 176.6° | 180.0° |
| C47 | C48 | C50 | C52 | 178.0° | 180.0° |
| C48 | C47 | C45 | H54 | 37.8° | 55.0° |
| C48 | C47 | H55 | H56 | 120.4° | 120.0° |
| C47 | C48 | C49 | H57 | 3.4° | 0.1° |
| C47 | C48 | C50 | H58 | 2.0° | 0.0° |
| C48 | C49 | C51 | H57 | 180.0° | 179.9° |
| C48 | C49 | C51 | C53 | 1.9° | 0.1° |
| C49 | C48 | C50 | C52 | 1.2° | 0.2° |
| C49 | C48 | C47 | H55 | 14.4° | 150.2° |
| C49 | C48 | C47 | H56 | 134.7° | 30.2° |
| C49 | C48 | C50 | H58 | 178.8° | 179.8° |
| C48 | C49 | C51 | H59 | 178.1° | 180.0° |
| C51 | C49 | C48 | C50 | 2.6° | 0.2° |
| C49 | C51 | C53 | H59 | 180.0° | 179.9° |
| C49 | C51 | C53 | C52 | 0.2° | 0.3° |
| C49 | C51 | C53 | CL1 | 180.0° | 180.0° |
| C48 | C50 | C52 | H58 | 180.0° | 180.0° |
| C48 | C50 | C52 | C53 | 0.8° | 0.0° |
| C50 | C48 | C47 | H55 | 164.8° | 30.0° |
| C50 | C48 | C47 | H56 | 44.5° | 150.0° |
| C50 | C48 | C49 | H57 | 177.4° | 179.7° |
| C48 | C50 | C52 | H60 | 179.2° | 180.0° |
| C51 | C53 | C52 | C50 | 1.5° | 0.3° |
| C51 | C53 | C52 | CL1 | 179.8° | 179.7° |
| C53 | C51 | C49 | H57 | 178.1° | 180.0° |
| C51 | C53 | C52 | H60 | 178.5° | 179.8° |
| C50 | C52 | C53 | H60 | 180.0° | 179.9° |
| C50 | C52 | C53 | CL1 | 178.6° | 180.0° |
| C53 | C52 | C50 | H58 | 179.2° | 180.0° |
| C52 | C53 | C51 | H59 | 179.8° | 179.8° |
| CL1 | C53 | C51 | H59 | 0.0° | 0.1° |
| CL1 | C53 | C52 | H60 | 1.4° | 0.1° |
| H53 | N8 | C45 | H54 | 114.3° | 145.0° |
| H54 | C45 | C47 | H55 | 157.6° | 65.0° |
| H54 | C45 | C47 | H56 | 82.1° | 175.0° |
| H54 | C45 | N8 | C41 | 65.7° | 35.0° |
| H54 | C45 | C46 | N9 | 176.1° | 60.1° |
| H57 | C49 | C51 | H59 | 1.9° | 0.1° |
| H58 | C50 | C52 | H60 | 0.8° | 0.0° |
| C54 | N9 | H61 | C46 | 180.0° | 179.9° |
| N9 | C54 | C55 | C56 | 117.8° | 120.1° |
| N9 | C54 | C55 | H62 | 121.6° | 120.0° |
| N9 | C54 | C56 | H62 | 118.5° | 120.0° |
| N9 | C54 | C55 | O13 | 155.1° | 0.1° |
| N9 | C54 | C56 | C57 | 104.1° | 65.0° |
| N9 | C54 | C56 | H63 | 16.9° | 175.0° |
| N9 | C54 | C56 | H64 | 134.9° | 55.0° |
| N9 | C54 | C55 | N10 | 16.8° | 180.0° |
| H61 | N9 | C54 | C55 | 113.5° | 25.1° |
| H61 | N9 | C54 | C56 | 7.2° | 95.0° |
| H61 | N9 | C54 | H62 | 125.2° | 145.1° |
| C55 | C54 | C56 | H62 | 120.8° | 120.0° |
| C54 | C55 | O13 | N10 | 171.1° | 180.0° |
| C55 | C54 | C56 | C57 | 16.6° | 175.0° |
| C55 | C54 | C56 | H63 | 137.6° | 55.0° |
| C55 | C54 | C56 | H64 | 104.4° | 65.1° |
| C54 | C55 | N10 | C59 | 179.3° | 179.9° |
| C54 | C55 | N10 | H68 | 0.7° | 0.0° |
| C55 | C54 | N9 | C46 | 66.5° | 155.0° |
| C56 | C54 | C55 | O13 | 87.0° | 120.0° |
| C54 | C56 | C57 | H63 | 121.0° | 120.0° |
| C54 | C56 | C57 | H64 | 121.0° | 120.0° |
| C54 | C56 | H63 | H64 | 116.9° | 120.0° |
| C54 | C56 | C57 | C58 | 172.9° | 180.0° |
| C54 | C56 | C57 | H65 | 66.9° | 60.0° |
| C54 | C56 | C57 | H66 | 52.8° | 60.0° |
| C56 | C54 | N9 | C46 | 172.8° | 84.9° |
| C56 | C54 | C55 | N10 | 101.0° | 60.0° |
| H62 | C54 | C55 | O13 | 33.6° | 120.1° |
| H62 | C54 | C56 | C57 | 137.3° | 55.0° |
| H62 | C54 | C56 | H63 | 101.7° | 65.0° |
| H62 | C54 | C56 | H64 | 16.3° | 175.0° |
| H62 | C54 | N9 | C46 | 54.8° | 35.0° |
| H62 | C54 | C55 | N10 | 138.4° | 60.0° |
| O13 | C55 | N10 | C59 | 8.2° | 0.0° |
| O13 | C55 | N10 | H68 | 171.8° | 180.0° |
| C57 | C56 | H63 | H64 | 116.9° | 120.0° |
| C56 | C57 | C58 | H65 | 120.2° | 120.0° |
| C56 | C57 | C58 | H66 | 120.1° | 120.0° |
| C56 | C57 | H65 | H66 | 119.5° | 120.0° |
| C56 | C57 | C58 | O14 | 133.8° | 0.0° |
| C56 | C57 | C58 | O15 | 46.7° | 180.0° |
| H63 | C56 | C57 | C58 | 51.9° | 60.0° |
| H63 | C56 | C57 | H65 | 172.1° | NaN° |
| H63 | C56 | C57 | H66 | 68.2° | 60.0° |
| H64 | C56 | C57 | C58 | 66.1° | 60.0° |
| H64 | C56 | C57 | H65 | 54.1° | 60.0° |
| H64 | C56 | C57 | H66 | 173.8° | 180.0° |
| C58 | C57 | H65 | H66 | 119.6° | 120.0° |
| C57 | C58 | O14 | O15 | 179.5° | 180.0° |
| C57 | C58 | O15 | H67 | 179.5° | 180.0° |
| H65 | C57 | C58 | O14 | 106.1° | 120.0° |
| H65 | C57 | C58 | O15 | 73.4° | 60.0° |
| H66 | C57 | C58 | O14 | 13.6° | 120.0° |
| H66 | C57 | C58 | O15 | 166.8° | 60.1° |
| O14 | C58 | O15 | H67 | 0.0° | 0.1° |
| C59 | N10 | H68 | C55 | 180.0° | 180.0° |
| N10 | C59 | C60 | C61 | 118.7° | 120.0° |
| N10 | C59 | C60 | H69 | 120.8° | 120.0° |
| N10 | C59 | C61 | H69 | 121.4° | 120.0° |
| N10 | C59 | C60 | O16 | 177.9° | 0.0° |
| N10 | C59 | C61 | C62 | 61.0° | 65.0° |
| N10 | C59 | C61 | H70 | 178.4° | 175.0° |
| N10 | C59 | C61 | H71 | 59.7° | 55.1° |
| N10 | C59 | C60 | N12 | 2.2° | 180.0° |
| H68 | N10 | C59 | C60 | 93.2° | 25.0° |
| H68 | N10 | C59 | C61 | 25.4° | 95.0° |
| H68 | N10 | C59 | H69 | 146.4° | 145.0° |
| C60 | C59 | C61 | H69 | 120.6° | 120.0° |
| C59 | C60 | O16 | N12 | 179.9° | 179.9° |
| C60 | C59 | C61 | C62 | 179.0° | 175.0° |
| C60 | C59 | C61 | H70 | 60.4° | 55.0° |
| C60 | C59 | C61 | H71 | 58.3° | 64.9° |
| C59 | C60 | N12 | C65 | 179.6° | 180.0° |
| C59 | C60 | N12 | H80 | 0.5° | 0.0° |
| C60 | C59 | N10 | C55 | 86.8° | 155.0° |
| C61 | C59 | C60 | O16 | 63.4° | 119.9° |
| C59 | C61 | C62 | H70 | 120.6° | 119.9° |
| C59 | C61 | C62 | H71 | 120.6° | 120.1° |
| C59 | C61 | H70 | H71 | 118.1° | 120.0° |
| C59 | C61 | C62 | C63 | 170.0° | 180.0° |
| C59 | C61 | C62 | H72 | 69.5° | 60.0° |
| C59 | C61 | C62 | H73 | 49.6° | 59.9° |
| C61 | C59 | N10 | C55 | 154.6° | 85.0° |
| C61 | C59 | C60 | N12 | 116.5° | 60.0° |
| H69 | C59 | C60 | O16 | 57.2° | 120.0° |
| H69 | C59 | C61 | C62 | 60.4° | 55.0° |
| H69 | C59 | C61 | H70 | 60.2° | 65.0° |
| H69 | C59 | C61 | H71 | 178.9° | 175.1° |
| H69 | C59 | N10 | C55 | 33.6° | 35.0° |
| H69 | C59 | C60 | N12 | 123.0° | 60.0° |
| O16 | C60 | N12 | C65 | 0.3° | 0.1° |
| O16 | C60 | N12 | H80 | 179.7° | 180.0° |
| C62 | C61 | H70 | H71 | 118.1° | 120.0° |
| C61 | C62 | C63 | H72 | 120.4° | 120.0° |
| C61 | C62 | C63 | H73 | 120.5° | 120.1° |
| C61 | C62 | H72 | H73 | 118.6° | 120.0° |
| C61 | C62 | C63 | C64 | 101.1° | 180.0° |
| C61 | C62 | C63 | H74 | 138.3° | 60.0° |
| C61 | C62 | C63 | H75 | 19.3° | 60.0° |
| H70 | C61 | C62 | C63 | 49.4° | 60.0° |
| H70 | C61 | C62 | H72 | 169.8° | 180.0° |
| H70 | C61 | C62 | H73 | 71.1° | 60.0° |
| H71 | C61 | C62 | C63 | 69.4° | 59.9° |
| H71 | C61 | C62 | H72 | 51.1° | 60.1° |
| H71 | C61 | C62 | H73 | 170.2° | 180.0° |
| C63 | C62 | H72 | H73 | 118.6° | 120.0° |
| C62 | C63 | C64 | H74 | 120.5° | 120.0° |
| C62 | C63 | C64 | H75 | 120.5° | 119.9° |
| C62 | C63 | H74 | H75 | 118.5° | 119.9° |
| C62 | C63 | C64 | N11 | 165.9° | 180.0° |
| C62 | C63 | C64 | H76 | 74.0° | 60.0° |
| C62 | C63 | C64 | H77 | 45.8° | 60.0° |
| H72 | C62 | C63 | C64 | 19.3° | 60.0° |
| H72 | C62 | C63 | H74 | 101.2° | 180.0° |
| H72 | C62 | C63 | H75 | 139.8° | 60.0° |
| H73 | C62 | C63 | C64 | 138.4° | 60.0° |
| H73 | C62 | C63 | H74 | 17.9° | 60.1° |
| H73 | C62 | C63 | H75 | 101.1° | 180.0° |
| C64 | C63 | H74 | H75 | 118.5° | 120.1° |
| C63 | C64 | N11 | H76 | 120.1° | 120.0° |
| C63 | C64 | N11 | H77 | 120.1° | 120.0° |
| C63 | C64 | H76 | H77 | 119.7° | 120.0° |
| C63 | C64 | N11 | H78 | 180.0° | 56.0° |
| C63 | C64 | N11 | H79 | 60.0° | 180.0° |
| H74 | C63 | C64 | N11 | 45.4° | 60.0° |
| H74 | C63 | C64 | H76 | 165.5° | 180.0° |
| H74 | C63 | C64 | H77 | 74.7° | 60.0° |
| H75 | C63 | C64 | N11 | 73.7° | 60.1° |
| H75 | C63 | C64 | H76 | 46.4° | 59.9° |
| H75 | C63 | C64 | H77 | 166.2° | 180.0° |
| N11 | C64 | H76 | H77 | 119.7° | 120.0° |
| C64 | N11 | H78 | H79 | 120.0° | 124.0° |
| H76 | C64 | N11 | H78 | 59.9° | 64.0° |
| H76 | C64 | N11 | H79 | 179.9° | 60.0° |
| H77 | C64 | N11 | H78 | 59.9° | 176.0° |
| H77 | C64 | N11 | H79 | 60.1° | 60.0° |
| C65 | N12 | H80 | C60 | 180.0° | 180.0° |
| N12 | C65 | C66 | C70 | 117.0° | 120.0° |
| N12 | C65 | C66 | H81 | 121.2° | 120.1° |
| N12 | C65 | C70 | H81 | 118.9° | 120.0° |
| N12 | C65 | C66 | C67 | 160.7° | 65.0° |
| N12 | C65 | C66 | H82 | 78.1° | 175.0° |
| N12 | C65 | C66 | H83 | 39.5° | 55.0° |
| N12 | C65 | C70 | O17 | 131.0° | 0.0° |
| N12 | C65 | C70 | N13 | 45.8° | 180.0° |
| H80 | N12 | C65 | C66 | 37.2° | 95.0° |
| H80 | N12 | C65 | C70 | 83.2° | 25.0° |
| H80 | N12 | C65 | H81 | 158.1° | 145.0° |
| C66 | C65 | C70 | H81 | 121.6° | 120.0° |
| C65 | C66 | C67 | H82 | 121.2° | 120.0° |
| C65 | C66 | C67 | H83 | 121.2° | 120.0° |
| C65 | C66 | H82 | H83 | 116.2° | 120.0° |
| C65 | C66 | C67 | C68 | 88.9° | 65.0° |
| C65 | C66 | C67 | C69 | 146.1° | 175.0° |
| C65 | C66 | C67 | H84 | 28.9° | 55.0° |
| C66 | C65 | C70 | O17 | 109.5° | 120.0° |
| C66 | C65 | N12 | C60 | 142.8° | 85.0° |
| C66 | C65 | C70 | N13 | 73.8° | 60.0° |
| C70 | C65 | C66 | C67 | 82.3° | 175.0° |
| C70 | C65 | C66 | H82 | 38.9° | 55.0° |
| C70 | C65 | C66 | H83 | 156.5° | 65.0° |
| C65 | C70 | O17 | N13 | 176.4° | 180.0° |
| C65 | C70 | N13 | C71 | 177.0° | 180.0° |
| C65 | C70 | N13 | H91 | 2.9° | 0.1° |
| C70 | C65 | N12 | C60 | 96.7° | 155.0° |
| H81 | C65 | C66 | C67 | 39.4° | 55.0° |
| H81 | C65 | C66 | H82 | 160.6° | 65.0° |
| H81 | C65 | C66 | H83 | 81.8° | 175.0° |
| H81 | C65 | C70 | O17 | 12.1° | 120.0° |
| H81 | C65 | N12 | C60 | 21.9° | 35.1° |
| H81 | C65 | C70 | N13 | 164.7° | 60.0° |
| C67 | C66 | H82 | H83 | 116.2° | 120.0° |
| C66 | C67 | C68 | C69 | 125.4° | 120.0° |
| C66 | C67 | C68 | H84 | 117.8° | 120.0° |
| C66 | C67 | C69 | H84 | 117.3° | 120.0° |
| C66 | C67 | C68 | H85 | 180.0° | 180.0° |
| C66 | C67 | C68 | H86 | 60.0° | 60.0° |
| C66 | C67 | C68 | H87 | 60.0° | 60.0° |
| C66 | C67 | C69 | H88 | 180.0° | 60.0° |
| C66 | C67 | C69 | H89 | 60.0° | 179.9° |
| C66 | C67 | C69 | H90 | 60.0° | 59.9° |
| H82 | C66 | C67 | C68 | 32.3° | 54.9° |
| H82 | C66 | C67 | C69 | 92.7° | 65.0° |
| H82 | C66 | C67 | H84 | 150.1° | 175.0° |
| H83 | C66 | C67 | C68 | 149.9° | 175.0° |
| H83 | C66 | C67 | C69 | 24.8° | 55.0° |
| H83 | C66 | C67 | H84 | 92.3° | 65.0° |
| C68 | C67 | C69 | H84 | 117.0° | 120.0° |
| C67 | C68 | H85 | H86 | 120.0° | 120.0° |
| C67 | C68 | H85 | H87 | 120.0° | 120.0° |
| C67 | C68 | H86 | H87 | 120.0° | 120.0° |
| C68 | C67 | C69 | H88 | 54.2° | 179.9° |
| C68 | C67 | C69 | H89 | 65.8° | 60.0° |
| C68 | C67 | C69 | H90 | 174.2° | 60.0° |
| C69 | C67 | C68 | H85 | 54.6° | 60.0° |
| C69 | C67 | C68 | H86 | 174.6° | 180.0° |
| C69 | C67 | C68 | H87 | 65.4° | 60.0° |
| C67 | C69 | H88 | H89 | 120.0° | 120.0° |
| C67 | C69 | H88 | H90 | 120.0° | 119.9° |
| C67 | C69 | H89 | H90 | 120.0° | 120.0° |
| H84 | C67 | C68 | H85 | 62.3° | 60.0° |
| H84 | C67 | C68 | H86 | 57.8° | 60.0° |
| H84 | C67 | C68 | H87 | 177.7° | 180.0° |
| H84 | C67 | C69 | H88 | 62.8° | 60.0° |
| H84 | C67 | C69 | H89 | 177.2° | 60.0° |
| H84 | C67 | C69 | H90 | 57.2° | 179.9° |
| H85 | C68 | H86 | H87 | 120.0° | 120.0° |
| H88 | C69 | H89 | H90 | 120.0° | 120.0° |
| O17 | C70 | N13 | C71 | 0.4° | 0.0° |
| O17 | C70 | N13 | H91 | 179.6° | 180.0° |
| C71 | N13 | H91 | C70 | 180.0° | 179.9° |
| N13 | C71 | C72 | C76 | 118.0° | 120.0° |
| N13 | C71 | C72 | H92 | 119.9° | 119.9° |
| N13 | C71 | C76 | H92 | 119.2° | 120.0° |
| N13 | C71 | C72 | C73 | 64.8° | 65.0° |
| N13 | C71 | C72 | H93 | 174.1° | 175.0° |
| N13 | C71 | C72 | H94 | 56.3° | 55.0° |
| N13 | C71 | C76 | O18 | 142.0° | 0.1° |
| N13 | C71 | C76 | N14 | 36.7° | 180.0° |
| H91 | N13 | C71 | C72 | 7.5° | 95.0° |
| H91 | N13 | C71 | C76 | 114.3° | 25.0° |
| H91 | N13 | C71 | H92 | 127.0° | 145.1° |
| C72 | C71 | C76 | H92 | 122.1° | 120.0° |
| C71 | C72 | C73 | H93 | 121.1° | 120.0° |
| C71 | C72 | C73 | H94 | 121.1° | 120.0° |
| C71 | C72 | H93 | H94 | 116.5° | 120.0° |
| C71 | C72 | C73 | C74 | 92.8° | 64.9° |
| C71 | C72 | C73 | C75 | 145.0° | 175.0° |
| C71 | C72 | C73 | H95 | 25.8° | 55.0° |
| C72 | C71 | C76 | O18 | 99.3° | 120.0° |
| C72 | C71 | N13 | C70 | 172.5° | 85.0° |
| C72 | C71 | C76 | N14 | 82.1° | 60.1° |
| C76 | C71 | C72 | C73 | 177.2° | 175.0° |
| C76 | C71 | C72 | H93 | 56.1° | 55.0° |
| C76 | C71 | C72 | H94 | 61.7° | 64.9° |
| C71 | C76 | O18 | N14 | 178.6° | 179.9° |
| C71 | C76 | N14 | C77 | 179.0° | 180.0° |
| C71 | C76 | N14 | H102 | 0.9° | 0.1° |
| C76 | C71 | N13 | C70 | 65.7° | 155.0° |
| H92 | C71 | C72 | C73 | 55.1° | 54.9° |
| H92 | C71 | C72 | H93 | 66.0° | 65.0° |
| H92 | C71 | C72 | H94 | 176.3° | 175.0° |
| H92 | C71 | C76 | O18 | 22.8° | 120.0° |
| H92 | C71 | N13 | C70 | 53.0° | 35.0° |
| H92 | C71 | C76 | N14 | 155.9° | 60.0° |
| C73 | C72 | H93 | H94 | 116.5° | 120.0° |
| C72 | C73 | C74 | C75 | 121.9° | 120.0° |
| C72 | C73 | C74 | H95 | 118.4° | 120.0° |
| C72 | C73 | C75 | H95 | 119.1° | 120.0° |
| C72 | C73 | C74 | H96 | 180.0° | 60.0° |
| C72 | C73 | C74 | H97 | 60.0° | 179.9° |
| C72 | C73 | C74 | H98 | 60.0° | 60.0° |
| C72 | C73 | C75 | H99 | 180.0° | 60.0° |
| C72 | C73 | C75 | H100 | 60.0° | 180.0° |
| C72 | C73 | C75 | H101 | 60.0° | 60.0° |
| H93 | C72 | C73 | C74 | 28.3° | 55.0° |
| H93 | C72 | C73 | C75 | 93.8° | 65.0° |
| H93 | C72 | C73 | H95 | 146.9° | 175.0° |
| H94 | C72 | C73 | C74 | 146.0° | 175.0° |
| H94 | C72 | C73 | C75 | 23.9° | 55.0° |
| H94 | C72 | C73 | H95 | 95.3° | 65.0° |
| C74 | C73 | C75 | H95 | 119.7° | 120.0° |
| C73 | C74 | H96 | H97 | 120.0° | 120.0° |
| C73 | C74 | H96 | H98 | 120.0° | 120.0° |
| C73 | C74 | H97 | H98 | 120.0° | 120.0° |
| C74 | C73 | C75 | H99 | 58.8° | 180.0° |
| C74 | C73 | C75 | H100 | 61.2° | 60.0° |
| C74 | C73 | C75 | H101 | 178.8° | 60.0° |
| C75 | C73 | C74 | H96 | 58.1° | 60.0° |
| C75 | C73 | C74 | H97 | 178.1° | 60.0° |
| C75 | C73 | C74 | H98 | 61.9° | 180.0° |
| C73 | C75 | H99 | H100 | 120.0° | 120.0° |
| C73 | C75 | H99 | H101 | 120.0° | 120.0° |
| C73 | C75 | H100 | H101 | 120.0° | 120.0° |
| H95 | C73 | C74 | H96 | 61.6° | 180.0° |
| H95 | C73 | C74 | H97 | 58.4° | 60.0° |
| H95 | C73 | C74 | H98 | 178.4° | 60.0° |
| H95 | C73 | C75 | H99 | 61.0° | 60.0° |
| H95 | C73 | C75 | H100 | 179.1° | 60.0° |
| H95 | C73 | C75 | H101 | 59.1° | NaN° |
| H96 | C74 | H97 | H98 | 120.0° | 120.0° |
| H99 | C75 | H100 | H101 | 120.0° | 120.0° |
| O18 | C76 | N14 | C77 | 0.5° | 0.0° |
| O18 | C76 | N14 | H102 | 179.5° | 180.0° |
| C77 | N14 | H102 | C76 | 180.0° | 180.0° |
| N14 | C77 | C78 | C82 | 119.7° | 120.0° |
| N14 | C77 | C78 | H103 | 120.8° | 120.0° |
| N14 | C77 | C82 | H103 | 119.7° | 119.9° |
| N14 | C77 | C78 | C79 | 137.2° | 65.0° |
| N14 | C77 | C78 | H104 | 102.0° | 175.0° |
| N14 | C77 | C78 | H105 | 16.5° | 55.0° |
| N14 | C77 | C82 | O19 | 150.3° | 0.0° |
| N14 | C77 | C82 | O20 | 29.5° | 180.0° |
| H102 | N14 | C77 | C78 | 16.7° | 25.0° |
| H102 | N14 | C77 | C82 | 103.5° | 95.0° |
| H102 | N14 | C77 | H103 | 137.2° | 145.0° |
| C78 | C77 | C82 | H103 | 119.5° | 120.1° |
| C77 | C78 | C79 | H104 | 120.8° | 120.0° |
| C77 | C78 | C79 | H105 | 120.7° | 120.1° |
| C77 | C78 | H104 | H105 | 117.8° | 120.0° |
| C77 | C78 | C79 | C80 | 159.5° | 180.0° |
| C77 | C78 | C79 | H106 | 39.7° | 60.0° |
| C77 | C78 | C79 | H107 | 80.7° | 60.0° |
| C78 | C77 | C82 | O19 | 88.9° | 120.0° |
| C78 | C77 | C82 | O20 | 91.3° | 60.0° |
| C78 | C77 | N14 | C76 | 163.3° | 155.0° |
| C82 | C77 | C78 | C79 | 103.0° | 175.0° |
| C82 | C77 | C78 | H104 | 17.7° | 55.0° |
| C82 | C77 | C78 | H105 | 136.3° | 65.0° |
| C77 | C82 | O19 | O20 | 179.8° | 180.0° |
| C77 | C82 | O20 | H115 | 179.8° | 180.0° |
| C82 | C77 | N14 | C76 | 76.5° | 85.0° |
| H103 | C77 | C78 | C79 | 16.4° | 54.9° |
| H103 | C77 | C78 | H104 | 137.2° | 65.1° |
| H103 | C77 | C78 | H105 | 104.3° | 175.0° |
| H103 | C77 | C82 | O19 | 30.6° | 119.9° |
| H103 | C77 | C82 | O20 | 149.2° | 60.1° |
| H103 | C77 | N14 | C76 | 42.8° | 35.0° |
| C79 | C78 | H104 | H105 | 117.7° | 119.9° |
| C78 | C79 | C80 | H106 | 119.8° | 120.0° |
| C78 | C79 | C80 | H107 | 119.8° | 120.0° |
| C78 | C79 | H106 | H107 | 120.5° | 120.0° |
| C78 | C79 | C80 | N15 | 153.1° | 180.0° |
| C78 | C79 | C80 | H108 | 32.5° | 60.1° |
| C78 | C79 | C80 | H109 | 86.3° | 60.0° |
| H104 | C78 | C79 | C80 | 79.8° | 60.0° |
| H104 | C78 | C79 | H106 | 160.4° | 180.0° |
| H104 | C78 | C79 | H107 | 40.1° | 60.0° |
| H105 | C78 | C79 | C80 | 38.7° | 59.9° |
| H105 | C78 | C79 | H106 | 81.1° | 60.0° |
| H105 | C78 | C79 | H107 | 158.6° | 179.9° |
| C80 | C79 | H106 | H107 | 120.6° | 120.0° |
| C79 | C80 | N15 | H108 | 120.6° | 120.0° |
| C79 | C80 | N15 | H109 | 120.6° | 120.0° |
| C79 | C80 | H108 | H109 | 118.2° | 120.1° |
| C79 | C80 | N15 | C81 | 95.2° | 180.0° |
| C79 | C80 | N15 | H110 | 84.8° | 0.0° |
| H106 | C79 | C80 | N15 | 87.1° | 60.0° |
| H106 | C79 | C80 | H108 | 152.3° | 180.0° |
| H106 | C79 | C80 | H109 | 33.5° | 60.0° |
| H107 | C79 | C80 | N15 | 33.3° | 60.0° |
| H107 | C79 | C80 | H108 | 87.3° | 59.9° |
| H107 | C79 | C80 | H109 | 153.9° | 180.0° |
| N15 | C80 | H108 | H109 | 118.2° | 120.0° |
| C80 | N15 | C81 | H110 | 180.0° | 180.0° |
| C80 | N15 | C81 | N16 | 32.1° | 0.0° |
| C80 | N15 | C81 | N17 | 146.8° | 180.0° |
| H108 | C80 | N15 | C81 | 25.4° | 60.0° |
| H108 | C80 | N15 | H110 | 154.6° | 120.0° |
| H109 | C80 | N15 | C81 | 144.2° | 60.0° |
| H109 | C80 | N15 | H110 | 35.8° | 120.0° |
| N15 | C81 | N16 | N17 | 178.8° | 179.9° |
| N15 | C81 | N16 | H111 | 178.8° | 0.0° |
| N15 | C81 | N16 | H112 | 1.2° | 180.0° |
| N15 | C81 | N17 | H113 | 178.8° | 0.0° |
| N15 | C81 | N17 | H114 | 1.2° | 180.0° |
| H110 | N15 | C81 | N16 | 147.9° | 180.0° |
| H110 | N15 | C81 | N17 | 33.2° | 0.0° |
| C81 | N16 | H111 | H112 | 180.0° | 180.0° |
| N16 | C81 | N17 | H113 | 0.0° | 180.0° |
| N16 | C81 | N17 | H114 | 180.0° | 0.0° |
| N17 | C81 | N16 | H111 | 0.0° | 179.9° |
| N17 | C81 | N16 | H112 | 180.0° | 0.0° |
| C81 | N17 | H113 | H114 | 179.9° | 180.0° |
| O19 | C82 | O20 | H115 | 0.0° | 0.0° |
