PRD_002363
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O1 | C7 | doub | 1.21Å | 1.22Å | |
| C9 | C10 | sing | 1.53Å | 1.51Å | |
| C9 | C8 | sing | 1.53Å | 1.53Å | |
| C7 | C8 | sing | 1.51Å | 1.53Å | |
| C10 | C11 | sing | 1.53Å | 1.51Å | |
| C8 | N1 | sing | 1.47Å | 1.43Å | |
| C8 | C13 | sing | 1.53Å | 1.54Å | |
| C11 | C1 | sing | 1.51Å | 1.51Å | |
| C11 | C12 | sing | 1.53Å | 1.51Å | |
| C13 | C12 | sing | 1.53Å | 1.52Å | |
| C2 | C1 | doub | 1.38Å | 1.39Å | Aromatic |
| C2 | C3 | sing | 1.38Å | 1.39Å | Aromatic |
| C1 | C6 | sing | 1.38Å | 1.40Å | Aromatic |
| C3 | C4 | doub | 1.38Å | 1.39Å | Aromatic |
| C6 | C5 | doub | 1.38Å | 1.39Å | Aromatic |
| C4 | C5 | sing | 1.38Å | 1.39Å | Aromatic |
| C2 | H1 | sing | 1.08Å | 1.08Å | |
| C3 | H2 | sing | 1.08Å | 1.08Å | |
| C4 | H3 | sing | 1.08Å | 1.08Å | |
| C5 | H4 | sing | 1.08Å | 1.08Å | |
| C6 | H5 | sing | 1.08Å | 1.08Å | |
| N1 | H6 | sing | 1.01Å | 1.00Å | |
| N1 | H7 | sing | 1.01Å | 1.00Å | |
| C9 | H8 | sing | 1.09Å | 1.10Å | |
| C9 | H9 | sing | 1.09Å | 1.10Å | |
| C10 | H10 | sing | 1.09Å | 1.10Å | |
| C10 | H11 | sing | 1.09Å | 1.10Å | |
| C11 | H12 | sing | 1.09Å | 1.10Å | |
| C12 | H13 | sing | 1.09Å | 1.10Å | |
| C12 | H14 | sing | 1.09Å | 1.10Å | |
| C13 | H15 | sing | 1.09Å | 1.10Å | |
| C13 | H16 | sing | 1.09Å | 1.10Å | |
| N2 | C14 | sing | 1.47Å | 1.46Å | |
| N2 | H17 | sing | 0.97Å | 1.00Å | |
| C14 | C15 | sing | 1.51Å | 1.52Å | |
| C14 | C16 | sing | 1.53Å | 1.53Å | |
| C14 | H18 | sing | 1.09Å | 1.10Å | |
| C15 | O2 | doub | 1.21Å | 1.23Å | |
| C16 | C17 | sing | 1.51Å | 1.49Å | |
| C16 | H19 | sing | 1.09Å | 1.10Å | |
| C16 | H20 | sing | 1.09Å | 1.10Å | |
| C17 | C18 | doub | 1.34Å | 1.37Å | Aromatic |
| C17 | C19 | sing | 1.47Å | 1.43Å | Aromatic |
| C18 | N3 | sing | 1.37Å | 1.38Å | Aromatic |
| C18 | H21 | sing | 1.08Å | 1.08Å | |
| C19 | C20 | doub | 1.41Å | 1.41Å | Aromatic |
| C19 | C21 | sing | 1.40Å | 1.40Å | Aromatic |
| N3 | C20 | sing | 1.38Å | 1.37Å | Aromatic |
| N3 | H22 | sing | 0.97Å | 1.00Å | |
| C20 | C22 | sing | 1.39Å | 1.40Å | Aromatic |
| C21 | C23 | doub | 1.37Å | 1.38Å | Aromatic |
| C21 | H23 | sing | 1.08Å | 1.08Å | |
| C22 | C24 | doub | 1.38Å | 1.37Å | Aromatic |
| C22 | H24 | sing | 1.08Å | 1.08Å | |
| C23 | C24 | sing | 1.39Å | 1.40Å | Aromatic |
| C23 | H25 | sing | 1.08Å | 1.08Å | |
| C24 | H26 | sing | 1.08Å | 1.08Å | |
| N4 | C25 | sing | 1.47Å | 1.45Å | |
| N4 | H27 | sing | 0.97Å | 1.00Å | |
| C25 | C26 | sing | 1.51Å | 1.53Å | |
| C25 | C27 | sing | 1.53Å | 1.53Å | |
| C25 | H28 | sing | 1.09Å | 1.10Å | |
| C26 | O3 | doub | 1.21Å | 1.23Å | |
| C27 | C28 | sing | 1.51Å | 1.51Å | |
| C27 | H29 | sing | 1.09Å | 1.10Å | |
| C27 | H30 | sing | 1.09Å | 1.10Å | |
| C28 | O4 | doub | 1.21Å | 1.24Å | |
| C28 | N5 | sing | 1.35Å | 1.33Å | |
| N5 | H31 | sing | 0.97Å | 1.00Å | |
| N5 | H32 | sing | 0.97Å | 1.00Å | |
| N6 | C29 | sing | 1.47Å | 1.46Å | |
| N6 | H33 | sing | 0.97Å | 1.00Å | |
| C29 | C30 | sing | 1.51Å | 1.53Å | |
| C29 | C31 | sing | 1.53Å | 1.53Å | |
| C29 | H34 | sing | 1.09Å | 1.10Å | |
| C30 | O5 | doub | 1.21Å | 1.24Å | |
| C31 | C32 | sing | 1.53Å | 1.53Å | |
| C31 | H35 | sing | 1.09Å | 1.10Å | |
| C31 | H36 | sing | 1.09Å | 1.10Å | |
| C32 | C33 | sing | 1.53Å | 1.52Å | |
| C32 | C34 | sing | 1.53Å | 1.54Å | |
| C32 | H37 | sing | 1.09Å | 1.10Å | |
| C33 | H38 | sing | 1.09Å | 1.10Å | |
| C33 | H39 | sing | 1.09Å | 1.10Å | |
| C33 | H40 | sing | 1.09Å | 1.10Å | |
| C34 | H41 | sing | 1.09Å | 1.10Å | |
| C34 | H42 | sing | 1.09Å | 1.10Å | |
| C34 | H43 | sing | 1.09Å | 1.10Å | |
| N7 | C35 | sing | 1.46Å | 1.46Å | |
| N7 | H44 | sing | 0.97Å | 1.00Å | |
| C35 | C36 | sing | 1.51Å | 1.53Å | |
| C35 | C37 | sing | 1.53Å | 1.54Å | |
| C35 | H45 | sing | 1.09Å | 1.10Å | |
| C36 | O6 | doub | 1.21Å | 1.23Å | |
| C37 | C38 | sing | 1.53Å | 1.52Å | |
| C37 | H46 | sing | 1.09Å | 1.10Å | |
| C37 | H47 | sing | 1.09Å | 1.10Å | |
| C38 | C39 | sing | 1.53Å | 1.53Å | |
| C38 | H48 | sing | 1.09Å | 1.10Å | |
| C38 | H49 | sing | 1.09Å | 1.10Å | |
| C39 | C40 | sing | 1.53Å | 1.52Å | |
| C39 | H50 | sing | 1.09Å | 1.10Å | |
| C39 | H51 | sing | 1.09Å | 1.10Å | |
| C40 | N8 | sing | 1.47Å | 1.49Å | |
| C40 | H52 | sing | 1.09Å | 1.10Å | |
| C40 | H53 | sing | 1.09Å | 1.10Å | |
| N8 | H54 | sing | 1.01Å | 1.00Å | |
| N8 | H55 | sing | 1.01Å | 1.00Å | |
| N8 | H56 | sing | 1.01Å | 1.00Å | |
| N9 | C41 | sing | 1.47Å | 1.46Å | |
| N9 | H57 | sing | 0.97Å | 1.00Å | |
| C41 | C42 | sing | 1.53Å | 1.51Å | |
| C41 | C47 | sing | 1.51Å | 1.52Å | |
| C41 | H58 | sing | 1.09Å | 1.10Å | |
| C42 | C44 | sing | 1.53Å | 1.51Å | |
| C42 | H59 | sing | 1.09Å | 1.10Å | |
| C42 | H60 | sing | 1.09Å | 1.10Å | |
| C43 | C44 | sing | 1.53Å | 1.52Å | |
| C43 | C45 | sing | 1.53Å | 1.52Å | |
| C43 | H61 | sing | 1.09Å | 1.10Å | |
| C43 | H62 | sing | 1.09Å | 1.10Å | |
| C44 | H63 | sing | 1.09Å | 1.10Å | |
| C44 | H64 | sing | 1.09Å | 1.10Å | |
| C45 | N10 | sing | 1.47Å | 1.45Å | |
| C45 | H65 | sing | 1.09Å | 1.10Å | |
| C45 | H66 | sing | 1.09Å | 1.10Å | |
| N10 | C46 | sing | 1.38Å | 1.45Å | |
| N10 | H67 | sing | 0.97Å | 1.00Å | |
| C46 | N11 | doub | 1.30Å | 1.31Å | |
| C46 | N12 | sing | 1.37Å | 1.43Å | |
| N11 | H68 | sing | 0.97Å | 1.00Å | |
| N12 | H69 | sing | 0.97Å | 1.00Å | |
| N12 | H70 | sing | 0.97Å | 1.00Å | |
| C47 | O7 | doub | 1.21Å | 1.23Å | |
| N13 | C48 | sing | 1.46Å | 1.46Å | |
| N13 | H71 | sing | 0.97Å | 1.00Å | |
| C48 | C49 | sing | 1.51Å | 1.53Å | |
| C48 | C50 | sing | 1.53Å | 1.55Å | |
| C48 | H72 | sing | 1.09Å | 1.10Å | |
| C49 | O8 | doub | 1.21Å | 1.23Å | |
| C50 | C51 | sing | 1.53Å | 1.55Å | |
| C50 | C52 | sing | 1.53Å | 1.53Å | |
| C50 | H73 | sing | 1.09Å | 1.10Å | |
| C51 | C53 | sing | 1.53Å | 1.49Å | |
| C51 | H74 | sing | 1.09Å | 1.10Å | |
| C51 | H75 | sing | 1.09Å | 1.10Å | |
| C52 | H76 | sing | 1.09Å | 1.10Å | |
| C52 | H77 | sing | 1.09Å | 1.10Å | |
| C52 | H78 | sing | 1.09Å | 1.10Å | |
| C53 | H79 | sing | 1.09Å | 1.10Å | |
| C53 | H80 | sing | 1.09Å | 1.10Å | |
| C53 | H81 | sing | 1.09Å | 1.10Å | |
| N14 | C54 | sing | 1.46Å | 1.45Å | |
| N14 | H82 | sing | 0.97Å | 1.00Å | |
| C54 | C55 | sing | 1.51Å | 1.51Å | |
| C54 | H83 | sing | 1.09Å | 1.10Å | |
| C54 | H84 | sing | 1.09Å | 1.10Å | |
| C55 | O9 | doub | 1.21Å | 1.23Å | |
| N15 | C56 | sing | 1.47Å | 1.46Å | |
| N15 | H85 | sing | 0.97Å | 1.00Å | |
| C56 | C57 | sing | 1.51Å | 1.53Å | |
| C56 | C58 | sing | 1.53Å | 1.53Å | |
| C56 | H86 | sing | 1.09Å | 1.10Å | |
| C57 | O10 | doub | 1.21Å | 1.23Å | |
| C58 | C59 | sing | 1.53Å | 1.52Å | |
| C58 | H87 | sing | 1.09Å | 1.10Å | |
| C58 | H88 | sing | 1.09Å | 1.10Å | |
| C59 | C60 | sing | 1.53Å | 1.52Å | |
| C59 | C61 | sing | 1.53Å | 1.51Å | |
| C59 | H89 | sing | 1.09Å | 1.10Å | |
| C60 | H90 | sing | 1.09Å | 1.10Å | |
| C60 | H91 | sing | 1.09Å | 1.10Å | |
| C60 | H92 | sing | 1.09Å | 1.10Å | |
| C61 | H93 | sing | 1.09Å | 1.10Å | |
| C61 | H94 | sing | 1.09Å | 1.10Å | |
| C61 | H95 | sing | 1.09Å | 1.10Å | |
| N16 | C62 | sing | 1.47Å | 1.47Å | |
| N16 | H96 | sing | 0.97Å | 1.00Å | |
| C62 | C63 | sing | 1.51Å | 1.52Å | |
| C62 | C64 | sing | 1.53Å | 1.54Å | |
| C62 | H97 | sing | 1.09Å | 1.10Å | |
| C63 | O11 | doub | 1.21Å | 1.24Å | |
| C64 | C65 | sing | 1.53Å | 1.52Å | |
| C64 | H98 | sing | 1.09Å | 1.10Å | |
| C64 | H99 | sing | 1.09Å | 1.10Å | |
| C65 | C66 | sing | 1.53Å | 1.51Å | |
| C65 | C67 | sing | 1.53Å | 1.52Å | |
| C65 | H100 | sing | 1.09Å | 1.10Å | |
| C66 | H101 | sing | 1.09Å | 1.10Å | |
| C66 | H102 | sing | 1.09Å | 1.10Å | |
| C66 | H103 | sing | 1.09Å | 1.10Å | |
| C67 | H104 | sing | 1.09Å | 1.10Å | |
| C67 | H105 | sing | 1.09Å | 1.10Å | |
| C67 | H106 | sing | 1.09Å | 1.10Å | |
| N17 | C68 | sing | 1.47Å | 1.48Å | |
| N17 | H107 | sing | 0.97Å | 1.00Å | |
| C68 | C69 | sing | 1.51Å | 1.54Å | |
| C68 | C70 | sing | 1.53Å | 1.54Å | |
| C68 | H108 | sing | 1.09Å | 1.10Å | |
| C69 | O12 | doub | 1.21Å | 1.23Å | |
| C69 | O13 | sing | 1.34Å | 118.00Å | |
| C70 | C71 | sing | 1.53Å | 1.53Å | |
| C70 | H109 | sing | 1.09Å | 1.10Å | |
| C70 | H110 | sing | 1.09Å | 1.10Å | |
| C71 | C72 | sing | 1.53Å | 1.53Å | |
| C71 | H111 | sing | 1.09Å | 1.10Å | |
| C71 | H112 | sing | 1.09Å | 1.10Å | |
| C72 | N18 | sing | 1.46Å | 1.47Å | |
| C72 | H113 | sing | 1.09Å | 1.10Å | |
| C72 | H114 | sing | 1.09Å | 1.10Å | |
| N18 | C73 | sing | 1.37Å | 1.33Å | |
| N18 | H115 | sing | 0.97Å | 1.00Å | |
| C73 | N19 | sing | 1.33Å | 1.33Å | |
| C73 | N20 | doub | 1.33Å | 1.33Å | |
| N19 | H116 | sing | 0.97Å | 1.00Å | |
| N19 | H117 | sing | 0.97Å | 1.00Å | |
| N20 | H118 | sing | 0.97Å | 1.00Å | |
| N20 | H119 | sing | 0.97Å | 1.00Å | |
| O13 | H120 | sing | 0.97Å | 0.00Å | |
| C7 | N2 | sing | 1.35Å | 1.40Å | |
| C15 | N4 | sing | 1.35Å | 1.34Å | |
| C26 | N6 | sing | 1.35Å | 1.34Å | |
| C30 | N7 | sing | 1.35Å | 1.36Å | |
| C36 | N9 | sing | 1.35Å | 1.33Å | |
| C47 | N13 | sing | 1.35Å | 1.34Å | |
| C49 | N14 | sing | 1.35Å | 1.33Å | |
| C55 | N15 | sing | 1.35Å | 1.34Å | |
| C57 | N16 | sing | 1.35Å | 1.35Å | |
| C63 | N17 | sing | 1.35Å | 1.37Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C7 | C8 | 116.6° | 120.0° |
| O1 | C7 | N2 | 111.6° | 120.0° |
| C10 | C9 | C8 | 112.4° | 109.5° |
| C9 | C10 | C11 | 108.6° | 109.5° |
| C10 | C9 | H8 | 108.7° | 109.5° |
| C10 | C9 | H9 | 108.7° | 109.5° |
| C9 | C10 | H10 | 109.7° | 109.5° |
| C9 | C10 | H11 | 109.7° | 109.5° |
| C9 | C8 | C7 | 109.8° | 109.5° |
| C9 | C8 | N1 | 115.8° | 109.4° |
| C9 | C8 | C13 | 101.6° | 109.5° |
| C8 | C9 | H8 | 108.7° | 109.4° |
| C8 | C9 | H9 | 108.7° | 109.5° |
| C7 | C8 | N1 | 100.4° | 109.5° |
| C7 | C8 | C13 | 114.2° | 109.5° |
| C8 | C7 | N2 | 131.8° | 120.0° |
| C10 | C11 | C1 | 108.2° | 109.5° |
| C10 | C11 | C12 | 109.0° | 109.5° |
| C11 | C10 | H10 | 109.7° | 109.5° |
| C11 | C10 | H11 | 109.7° | 109.5° |
| C10 | C11 | H12 | 109.1° | 109.5° |
| N1 | C8 | C13 | 115.5° | 109.5° |
| C8 | N1 | H6 | 109.5° | 111.0° |
| C8 | N1 | H7 | 109.5° | 111.0° |
| C8 | C13 | C12 | 115.4° | 109.5° |
| C8 | C13 | H15 | 108.0° | 109.5° |
| C8 | C13 | H16 | 108.0° | 109.5° |
| C1 | C11 | C12 | 112.3° | 109.5° |
| C11 | C1 | C2 | 119.3° | 120.0° |
| C11 | C1 | C6 | 121.8° | 120.0° |
| C1 | C11 | H12 | 109.1° | 109.4° |
| C11 | C12 | C13 | 110.3° | 109.5° |
| C12 | C11 | H12 | 109.1° | 109.5° |
| C11 | C12 | H13 | 109.3° | 109.5° |
| C11 | C12 | H14 | 109.2° | 109.5° |
| C13 | C12 | H13 | 109.3° | 109.5° |
| C13 | C12 | H14 | 109.3° | 109.5° |
| C12 | C13 | H15 | 108.0° | 109.5° |
| C12 | C13 | H16 | 108.0° | 109.5° |
| C1 | C2 | C3 | 120.3° | 120.0° |
| C2 | C1 | C6 | 118.8° | 120.0° |
| C1 | C2 | H1 | 119.8° | 120.0° |
| C2 | C3 | C4 | 120.7° | 120.0° |
| C3 | C2 | H1 | 119.8° | 120.0° |
| C2 | C3 | H2 | 119.6° | 120.0° |
| C1 | C6 | C5 | 120.6° | 120.0° |
| C1 | C6 | H5 | 119.7° | 120.0° |
| C3 | C4 | C5 | 119.6° | 120.0° |
| C4 | C3 | H2 | 119.7° | 120.0° |
| C3 | C4 | H3 | 120.2° | 120.0° |
| C6 | C5 | C4 | 120.0° | 120.1° |
| C6 | C5 | H4 | 120.0° | 120.0° |
| C5 | C6 | H5 | 119.7° | 120.1° |
| C5 | C4 | H3 | 120.2° | 120.0° |
| C4 | C5 | H4 | 120.0° | 120.0° |
| H6 | N1 | H7 | 109.4° | 111.0° |
| H8 | C9 | H9 | 109.5° | 109.5° |
| H10 | C10 | H11 | 109.4° | 109.5° |
| H13 | C12 | H14 | 109.5° | 109.5° |
| H15 | C13 | H16 | 109.5° | 109.5° |
| C14 | N2 | H17 | 115.7° | 120.0° |
| N2 | C14 | C15 | 110.6° | 109.5° |
| N2 | C14 | C16 | 110.5° | 109.5° |
| N2 | C14 | H18 | 109.0° | 109.5° |
| C14 | N2 | C7 | 128.6° | 120.0° |
| H17 | N2 | C7 | 115.7° | 120.0° |
| C15 | C14 | C16 | 110.0° | 109.5° |
| C15 | C14 | H18 | 108.3° | 109.5° |
| C14 | C15 | O2 | 120.9° | 120.0° |
| C14 | C15 | N4 | 115.0° | 120.0° |
| C16 | C14 | H18 | 108.2° | 109.5° |
| C14 | C16 | C17 | 114.6° | 109.4° |
| C14 | C16 | H19 | 108.2° | 109.4° |
| C14 | C16 | H20 | 108.2° | 109.4° |
| O2 | C15 | N4 | 124.1° | 120.0° |
| C17 | C16 | H19 | 108.2° | 109.5° |
| C17 | C16 | H20 | 108.2° | 109.5° |
| C16 | C17 | C18 | 127.4° | 126.5° |
| C16 | C17 | C19 | 126.1° | 126.5° |
| H19 | C16 | H20 | 109.5° | 109.5° |
| C18 | C17 | C19 | 106.3° | 107.0° |
| C17 | C18 | N3 | 110.1° | 109.9° |
| C17 | C18 | H21 | 124.9° | 125.0° |
| C17 | C19 | C20 | 107.3° | 106.0° |
| C17 | C19 | C21 | 133.8° | 134.1° |
| N3 | C18 | H21 | 124.9° | 125.1° |
| C18 | N3 | C20 | 108.9° | 109.9° |
| C18 | N3 | H22 | 125.6° | 125.1° |
| C20 | C19 | C21 | 118.9° | 119.9° |
| C19 | C20 | N3 | 107.3° | 107.2° |
| C19 | C20 | C22 | 122.0° | 119.3° |
| C19 | C21 | C23 | 118.6° | 119.8° |
| C19 | C21 | H23 | 120.7° | 120.1° |
| C20 | N3 | H22 | 125.6° | 125.0° |
| N3 | C20 | C22 | 130.7° | 133.5° |
| C20 | C22 | C24 | 117.2° | 119.8° |
| C20 | C22 | H24 | 121.4° | 120.1° |
| C23 | C21 | H23 | 120.7° | 120.1° |
| C21 | C23 | C24 | 121.2° | 120.5° |
| C21 | C23 | H25 | 119.4° | 119.8° |
| C24 | C22 | H24 | 121.4° | 120.1° |
| C22 | C24 | C23 | 121.8° | 120.7° |
| C22 | C24 | H26 | 119.1° | 119.7° |
| C24 | C23 | H25 | 119.4° | 119.8° |
| C23 | C24 | H26 | 119.1° | 119.6° |
| C25 | N4 | H27 | 117.4° | 120.0° |
| N4 | C25 | C26 | 112.7° | 109.5° |
| N4 | C25 | C27 | 109.9° | 109.5° |
| N4 | C25 | H28 | 108.3° | 109.5° |
| C25 | N4 | C15 | 125.2° | 120.0° |
| H27 | N4 | C15 | 117.4° | 120.0° |
| C26 | C25 | C27 | 111.2° | 109.4° |
| C26 | C25 | H28 | 107.2° | 109.5° |
| C25 | C26 | O3 | 119.0° | 120.0° |
| C25 | C26 | N6 | 118.3° | 120.0° |
| C27 | C25 | H28 | 107.3° | 109.5° |
| C25 | C27 | C28 | 115.3° | 109.5° |
| C25 | C27 | H29 | 108.0° | 109.5° |
| C25 | C27 | H30 | 108.0° | 109.5° |
| O3 | C26 | N6 | 122.6° | 120.0° |
| C28 | C27 | H29 | 108.0° | 109.4° |
| C28 | C27 | H30 | 108.0° | 109.5° |
| C27 | C28 | O4 | 120.4° | 120.0° |
| C27 | C28 | N5 | 117.8° | 120.0° |
| H29 | C27 | H30 | 109.5° | 109.5° |
| O4 | C28 | N5 | 121.8° | 120.0° |
| C28 | N5 | H31 | 120.0° | 120.0° |
| C28 | N5 | H32 | 120.0° | 120.0° |
| H31 | N5 | H32 | 120.0° | 120.0° |
| C29 | N6 | H33 | 119.6° | 120.0° |
| N6 | C29 | C30 | 110.7° | 109.5° |
| N6 | C29 | C31 | 111.1° | 109.4° |
| N6 | C29 | H34 | 108.6° | 109.5° |
| C29 | N6 | C26 | 120.9° | 120.0° |
| H33 | N6 | C26 | 119.5° | 120.0° |
| C30 | C29 | C31 | 111.0° | 109.5° |
| C30 | C29 | H34 | 107.6° | 109.5° |
| C29 | C30 | O5 | 119.7° | 120.1° |
| C29 | C30 | N7 | 117.3° | 120.0° |
| C31 | C29 | H34 | 107.7° | 109.5° |
| C29 | C31 | C32 | 116.5° | 109.4° |
| C29 | C31 | H35 | 107.7° | 109.5° |
| C29 | C31 | H36 | 107.7° | 109.4° |
| O5 | C30 | N7 | 123.0° | 120.0° |
| C32 | C31 | H35 | 107.7° | 109.5° |
| C32 | C31 | H36 | 107.7° | 109.5° |
| C31 | C32 | C33 | 110.3° | 109.5° |
| C31 | C32 | C34 | 112.0° | 109.4° |
| C31 | C32 | H37 | 108.0° | 109.5° |
| H35 | C31 | H36 | 109.5° | 109.5° |
| C33 | C32 | C34 | 110.4° | 109.5° |
| C33 | C32 | H37 | 108.1° | 109.5° |
| C32 | C33 | H38 | 109.5° | 109.5° |
| C32 | C33 | H39 | 109.5° | 109.5° |
| C32 | C33 | H40 | 109.5° | 109.5° |
| C34 | C32 | H37 | 107.8° | 109.4° |
| C32 | C34 | H41 | 109.5° | 109.5° |
| C32 | C34 | H42 | 109.5° | 109.4° |
| C32 | C34 | H43 | 109.5° | 109.5° |
| H38 | C33 | H39 | 109.5° | 109.5° |
| H38 | C33 | H40 | 109.4° | 109.5° |
| H39 | C33 | H40 | 109.5° | 109.5° |
| H41 | C34 | H42 | 109.4° | 109.5° |
| H41 | C34 | H43 | 109.4° | 109.5° |
| H42 | C34 | H43 | 109.5° | 109.5° |
| C35 | N7 | H44 | 119.5° | 120.1° |
| N7 | C35 | C36 | 108.8° | 109.4° |
| N7 | C35 | C37 | 111.7° | 109.5° |
| N7 | C35 | H45 | 109.0° | 109.5° |
| C35 | N7 | C30 | 120.9° | 120.0° |
| H44 | N7 | C30 | 119.6° | 120.0° |
| C36 | C35 | C37 | 111.3° | 109.5° |
| C36 | C35 | H45 | 108.1° | 109.4° |
| C35 | C36 | O6 | 120.4° | 120.0° |
| C35 | C36 | N9 | 116.7° | 120.0° |
| C37 | C35 | H45 | 107.9° | 109.5° |
| C35 | C37 | C38 | 113.3° | 109.4° |
| C35 | C37 | H46 | 108.5° | 109.5° |
| C35 | C37 | H47 | 108.5° | 109.5° |
| O6 | C36 | N9 | 122.7° | 120.0° |
| C38 | C37 | H46 | 108.5° | 109.4° |
| C38 | C37 | H47 | 108.5° | 109.5° |
| C37 | C38 | C39 | 112.5° | 109.5° |
| C37 | C38 | H48 | 108.7° | 109.4° |
| C37 | C38 | H49 | 108.7° | 109.5° |
| H46 | C37 | H47 | 109.5° | 109.5° |
| C39 | C38 | H48 | 108.7° | 109.4° |
| C39 | C38 | H49 | 108.7° | 109.5° |
| C38 | C39 | C40 | 112.3° | 109.5° |
| C38 | C39 | H50 | 108.7° | 109.4° |
| C38 | C39 | H51 | 108.7° | 109.5° |
| H48 | C38 | H49 | 109.5° | 109.5° |
| C40 | C39 | H50 | 108.7° | 109.4° |
| C40 | C39 | H51 | 108.8° | 109.5° |
| C39 | C40 | N8 | 112.5° | 109.5° |
| C39 | C40 | H52 | 108.7° | 109.4° |
| C39 | C40 | H53 | 108.7° | 109.5° |
| H50 | C39 | H51 | 109.5° | 109.5° |
| N8 | C40 | H52 | 108.7° | 109.4° |
| N8 | C40 | H53 | 108.7° | 109.5° |
| C40 | N8 | H54 | 109.5° | 109.5° |
| C40 | N8 | H55 | 109.5° | 109.5° |
| C40 | N8 | H56 | 109.5° | 109.5° |
| H52 | C40 | H53 | 109.5° | 109.5° |
| H54 | N8 | H55 | 109.4° | 109.4° |
| H54 | N8 | H56 | 109.5° | 109.4° |
| H55 | N8 | H56 | 109.5° | 109.5° |
| C41 | N9 | H57 | 118.2° | 120.0° |
| N9 | C41 | C42 | 108.4° | 109.4° |
| N9 | C41 | C47 | 112.8° | 109.5° |
| N9 | C41 | H58 | 108.4° | 109.5° |
| C41 | N9 | C36 | 123.6° | 120.0° |
| H57 | N9 | C36 | 118.2° | 120.0° |
| C42 | C41 | C47 | 111.7° | 109.5° |
| C42 | C41 | H58 | 107.8° | 109.5° |
| C41 | C42 | C44 | 112.0° | 109.5° |
| C41 | C42 | H59 | 108.8° | 109.5° |
| C41 | C42 | H60 | 108.8° | 109.5° |
| C47 | C41 | H58 | 107.7° | 109.5° |
| C41 | C47 | O7 | 119.1° | 120.0° |
| C41 | C47 | N13 | 117.5° | 120.0° |
| C44 | C42 | H59 | 108.8° | 109.5° |
| C44 | C42 | H60 | 108.8° | 109.4° |
| C42 | C44 | C43 | 111.1° | 109.5° |
| C42 | C44 | H63 | 109.1° | 109.5° |
| C42 | C44 | H64 | 109.1° | 109.5° |
| H59 | C42 | H60 | 109.5° | 109.4° |
| C44 | C43 | C45 | 108.0° | 109.5° |
| C44 | C43 | H61 | 109.8° | 109.5° |
| C44 | C43 | H62 | 109.8° | 109.5° |
| C43 | C44 | H63 | 109.1° | 109.4° |
| C43 | C44 | H64 | 109.1° | 109.5° |
| C45 | C43 | H61 | 109.8° | 109.4° |
| C45 | C43 | H62 | 109.9° | 109.5° |
| C43 | C45 | N10 | 107.0° | 109.5° |
| C43 | C45 | H65 | 110.1° | 109.5° |
| C43 | C45 | H66 | 110.1° | 109.5° |
| H61 | C43 | H62 | 109.5° | 109.4° |
| H63 | C44 | H64 | 109.5° | 109.5° |
| N10 | C45 | H65 | 110.1° | 109.4° |
| N10 | C45 | H66 | 110.1° | 109.5° |
| C45 | N10 | C46 | 122.0° | 120.0° |
| C45 | N10 | H67 | 119.0° | 120.0° |
| H65 | C45 | H66 | 109.4° | 109.5° |
| C46 | N10 | H67 | 119.0° | 120.0° |
| N10 | C46 | N11 | 117.9° | 119.9° |
| N10 | C46 | N12 | 121.7° | 120.0° |
| N11 | C46 | N12 | 120.4° | 120.0° |
| C46 | N11 | H68 | 112.0° | 119.9° |
| C46 | N12 | H69 | 120.0° | 120.0° |
| C46 | N12 | H70 | 120.0° | 120.0° |
| H69 | N12 | H70 | 120.0° | 120.0° |
| O7 | C47 | N13 | 123.3° | 120.0° |
| C48 | N13 | H71 | 118.7° | 120.0° |
| N13 | C48 | C49 | 112.1° | 109.5° |
| N13 | C48 | C50 | 112.4° | 109.5° |
| N13 | C48 | H72 | 107.2° | 109.5° |
| C48 | N13 | C47 | 122.5° | 120.0° |
| H71 | N13 | C47 | 118.7° | 120.0° |
| C49 | C48 | C50 | 112.1° | 109.4° |
| C49 | C48 | H72 | 106.4° | 109.5° |
| C48 | C49 | O8 | 119.4° | 119.9° |
| C48 | C49 | N14 | 117.5° | 120.1° |
| C50 | C48 | H72 | 106.2° | 109.5° |
| C48 | C50 | C51 | 112.9° | 109.5° |
| C48 | C50 | C52 | 110.3° | 109.4° |
| C48 | C50 | H73 | 107.2° | 109.5° |
| O8 | C49 | N14 | 123.1° | 120.0° |
| C51 | C50 | C52 | 111.3° | 109.5° |
| C51 | C50 | H73 | 107.3° | 109.5° |
| C50 | C51 | C53 | 113.6° | 109.4° |
| C50 | C51 | H74 | 108.4° | 109.5° |
| C50 | C51 | H75 | 108.4° | 109.5° |
| C52 | C50 | H73 | 107.5° | 109.5° |
| C50 | C52 | H76 | 109.5° | 109.5° |
| C50 | C52 | H77 | 109.5° | 109.4° |
| C50 | C52 | H78 | 109.5° | 109.5° |
| C53 | C51 | H74 | 108.4° | 109.5° |
| C53 | C51 | H75 | 108.4° | 109.5° |
| C51 | C53 | H79 | 109.5° | 109.5° |
| C51 | C53 | H80 | 109.5° | 109.5° |
| C51 | C53 | H81 | 109.5° | 109.5° |
| H74 | C51 | H75 | 109.4° | 109.5° |
| H76 | C52 | H77 | 109.4° | 109.5° |
| H76 | C52 | H78 | 109.5° | 109.5° |
| H77 | C52 | H78 | 109.4° | 109.5° |
| H79 | C53 | H80 | 109.5° | 109.5° |
| H79 | C53 | H81 | 109.4° | 109.5° |
| H80 | C53 | H81 | 109.4° | 109.5° |
| C54 | N14 | H82 | 118.4° | 120.0° |
| N14 | C54 | C55 | 113.8° | 109.5° |
| N14 | C54 | H83 | 108.4° | 109.5° |
| N14 | C54 | H84 | 108.4° | 109.5° |
| C54 | N14 | C49 | 123.1° | 120.0° |
| H82 | N14 | C49 | 118.5° | 120.0° |
| C55 | C54 | H83 | 108.4° | 109.5° |
| C55 | C54 | H84 | 108.4° | 109.5° |
| C54 | C55 | O9 | 119.1° | 120.0° |
| C54 | C55 | N15 | 118.3° | 120.0° |
| H83 | C54 | H84 | 109.5° | 109.5° |
| O9 | C55 | N15 | 122.6° | 120.0° |
| C56 | N15 | H85 | 119.5° | 120.0° |
| N15 | C56 | C57 | 110.7° | 109.5° |
| N15 | C56 | C58 | 111.1° | 109.5° |
| N15 | C56 | H86 | 108.7° | 109.5° |
| C56 | N15 | C55 | 121.0° | 120.0° |
| H85 | N15 | C55 | 119.5° | 120.0° |
| C57 | C56 | C58 | 110.3° | 109.5° |
| C57 | C56 | H86 | 107.9° | 109.5° |
| C56 | C57 | O10 | 118.7° | 120.0° |
| C56 | C57 | N16 | 118.0° | 120.0° |
| C58 | C56 | H86 | 107.9° | 109.4° |
| C56 | C58 | C59 | 116.3° | 109.5° |
| C56 | C58 | H87 | 107.7° | 109.5° |
| C56 | C58 | H88 | 107.8° | 109.5° |
| O10 | C57 | N16 | 123.3° | 120.0° |
| C59 | C58 | H87 | 107.7° | 109.4° |
| C59 | C58 | H88 | 107.8° | 109.5° |
| C58 | C59 | C60 | 111.8° | 109.5° |
| C58 | C59 | C61 | 110.1° | 109.5° |
| C58 | C59 | H89 | 108.0° | 109.5° |
| H87 | C58 | H88 | 109.5° | 109.4° |
| C60 | C59 | C61 | 110.5° | 109.4° |
| C60 | C59 | H89 | 108.1° | 109.5° |
| C59 | C60 | H90 | 109.5° | 109.5° |
| C59 | C60 | H91 | 109.4° | 109.5° |
| C59 | C60 | H92 | 109.5° | 109.5° |
| C61 | C59 | H89 | 108.2° | 109.5° |
| C59 | C61 | H93 | 109.5° | 109.5° |
| C59 | C61 | H94 | 109.5° | 109.5° |
| C59 | C61 | H95 | 109.5° | 109.5° |
| H90 | C60 | H91 | 109.5° | 109.4° |
| H90 | C60 | H92 | 109.4° | 109.4° |
| H91 | C60 | H92 | 109.5° | 109.5° |
| H93 | C61 | H94 | 109.5° | 109.5° |
| H93 | C61 | H95 | 109.5° | 109.4° |
| H94 | C61 | H95 | 109.4° | 109.5° |
| C62 | N16 | H96 | 118.2° | 120.0° |
| N16 | C62 | C63 | 108.8° | 109.5° |
| N16 | C62 | C64 | 110.6° | 109.4° |
| N16 | C62 | H97 | 110.3° | 109.5° |
| C62 | N16 | C57 | 123.6° | 120.0° |
| H96 | N16 | C57 | 118.2° | 120.0° |
| C63 | C62 | C64 | 108.3° | 109.5° |
| C63 | C62 | H97 | 109.6° | 109.5° |
| C62 | C63 | O11 | 119.0° | 120.0° |
| C62 | C63 | N17 | 117.0° | 120.0° |
| C64 | C62 | H97 | 109.3° | 109.5° |
| C62 | C64 | C65 | 116.5° | 109.5° |
| C62 | C64 | H98 | 107.7° | 109.5° |
| C62 | C64 | H99 | 107.7° | 109.4° |
| O11 | C63 | N17 | 124.0° | 120.0° |
| C65 | C64 | H98 | 107.7° | 109.5° |
| C65 | C64 | H99 | 107.7° | 109.5° |
| C64 | C65 | C66 | 110.7° | 109.4° |
| C64 | C65 | C67 | 111.6° | 109.5° |
| C64 | C65 | H100 | 107.8° | 109.4° |
| H98 | C64 | H99 | 109.4° | 109.4° |
| C66 | C65 | C67 | 110.7° | 109.5° |
| C66 | C65 | H100 | 108.0° | 109.5° |
| C65 | C66 | H101 | 109.5° | 109.5° |
| C65 | C66 | H102 | 109.5° | 109.5° |
| C65 | C66 | H103 | 109.5° | 109.5° |
| C67 | C65 | H100 | 107.9° | 109.5° |
| C65 | C67 | H104 | 109.5° | 109.4° |
| C65 | C67 | H105 | 109.4° | 109.4° |
| C65 | C67 | H106 | 109.5° | 109.4° |
| H101 | C66 | H102 | 109.5° | 109.4° |
| H101 | C66 | H103 | 109.4° | 109.5° |
| H102 | C66 | H103 | 109.5° | 109.5° |
| H104 | C67 | H105 | 109.5° | 109.5° |
| H104 | C67 | H106 | 109.4° | 109.5° |
| H105 | C67 | H106 | 109.4° | 109.5° |
| C68 | N17 | H107 | 118.0° | 120.0° |
| N17 | C68 | C69 | 109.6° | 109.5° |
| N17 | C68 | C70 | 111.5° | 109.5° |
| N17 | C68 | H108 | 109.6° | 109.5° |
| C68 | N17 | C63 | 124.0° | 120.0° |
| H107 | N17 | C63 | 118.0° | 120.0° |
| C69 | C68 | C70 | 108.7° | 109.5° |
| C69 | C68 | H108 | 108.7° | 109.5° |
| C68 | C69 | O12 | 121.6° | 120.0° |
| C68 | C69 | O13 | 45.4° | 120.0° |
| C70 | C68 | H108 | 108.7° | 109.5° |
| C68 | C70 | C71 | 114.8° | 109.5° |
| C68 | C70 | H109 | 108.1° | 109.5° |
| C68 | C70 | H110 | 108.1° | 109.4° |
| O12 | C69 | O13 | 83.5° | 119.9° |
| C69 | O13 | H120 | 90.0° | 117.0° |
| C71 | C70 | H109 | 108.1° | 109.5° |
| C71 | C70 | H110 | 108.1° | 109.5° |
| C70 | C71 | C72 | 111.0° | 109.5° |
| C70 | C71 | H111 | 109.1° | 109.5° |
| C70 | C71 | H112 | 109.1° | 109.5° |
| H109 | C70 | H110 | 109.5° | 109.5° |
| C72 | C71 | H111 | 109.1° | 109.5° |
| C72 | C71 | H112 | 109.1° | 109.4° |
| C71 | C72 | N18 | 113.0° | 109.5° |
| C71 | C72 | H113 | 108.6° | 109.5° |
| C71 | C72 | H114 | 108.6° | 109.4° |
| H111 | C71 | H112 | 109.5° | 109.5° |
| N18 | C72 | H113 | 108.6° | 109.5° |
| N18 | C72 | H114 | 108.6° | 109.5° |
| C72 | N18 | C73 | 125.0° | 120.0° |
| C72 | N18 | H115 | 117.5° | 120.0° |
| H113 | C72 | H114 | 109.5° | 109.5° |
| C73 | N18 | H115 | 117.5° | 120.0° |
| N18 | C73 | N19 | 120.5° | 120.0° |
| N18 | C73 | N20 | 120.3° | 120.0° |
| N19 | C73 | N20 | 119.3° | 120.0° |
| C73 | N19 | H116 | 120.0° | 120.0° |
| C73 | N19 | H117 | 120.0° | 119.9° |
| C73 | N20 | H118 | 120.0° | 120.0° |
| C73 | N20 | H119 | 120.0° | 119.9° |
| H116 | N19 | H117 | 120.0° | 120.1° |
| H118 | N20 | H119 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C7 | C8 | C9 | 50.7° | 95.1° |
| O1 | C7 | C8 | N2 | 178.6° | 180.0° |
| O1 | C7 | C8 | N1 | 173.1° | 145.0° |
| O1 | C7 | C8 | C13 | 62.6° | 25.0° |
| O1 | C7 | N2 | C14 | 7.9° | 0.0° |
| O1 | C7 | N2 | H17 | 172.1° | 180.0° |
| C10 | C9 | C8 | H8 | 120.5° | 120.0° |
| C10 | C9 | C8 | H9 | 120.4° | 120.0° |
| C10 | C9 | C8 | C7 | 176.7° | 180.0° |
| C9 | C10 | C11 | H10 | 119.9° | 120.0° |
| C9 | C10 | C11 | H11 | 119.9° | 120.0° |
| C10 | C9 | C8 | N1 | 63.9° | 60.0° |
| C10 | C9 | C8 | C13 | 62.1° | 60.0° |
| C9 | C10 | C11 | C1 | 178.1° | 180.0° |
| C9 | C10 | C11 | C12 | 59.5° | 60.0° |
| C10 | C9 | H8 | H9 | 118.6° | 120.0° |
| C9 | C10 | H10 | H11 | 120.4° | 120.0° |
| C9 | C10 | C11 | H12 | 59.5° | 60.0° |
| C9 | C8 | C7 | N1 | 122.4° | 120.0° |
| C9 | C8 | C7 | C13 | 113.4° | 120.1° |
| C8 | C9 | C10 | C11 | 67.3° | 59.9° |
| C9 | C8 | N1 | C13 | 118.6° | 120.0° |
| C9 | C8 | C13 | C12 | 57.5° | 60.0° |
| C9 | C8 | N1 | H6 | 180.0° | 60.0° |
| C9 | C8 | N1 | H7 | 60.0° | 176.1° |
| C8 | C9 | H8 | H9 | 118.6° | 120.0° |
| C8 | C9 | C10 | H10 | 172.9° | 179.9° |
| C8 | C9 | C10 | H11 | 52.6° | 60.0° |
| C9 | C8 | C13 | H15 | 178.4° | 180.0° |
| C9 | C8 | C13 | H16 | 63.3° | 60.0° |
| C9 | C8 | C7 | N2 | 127.9° | 85.0° |
| C7 | C8 | N1 | C13 | 123.3° | 120.0° |
| C7 | C8 | C13 | C12 | 175.6° | 180.0° |
| C7 | C8 | N1 | H6 | 61.9° | 60.0° |
| C7 | C8 | N1 | H7 | 178.1° | 63.9° |
| C7 | C8 | C9 | H8 | 56.2° | 60.1° |
| C7 | C8 | C9 | H9 | 62.9° | 60.0° |
| C7 | C8 | C13 | H15 | 63.5° | 60.0° |
| C7 | C8 | C13 | H16 | 54.8° | 60.1° |
| C8 | C7 | N2 | C14 | 173.4° | 180.0° |
| C8 | C7 | N2 | H17 | 6.5° | 0.0° |
| C10 | C11 | C1 | C12 | 120.4° | 120.1° |
| C10 | C11 | C1 | H12 | 118.5° | 120.0° |
| C10 | C11 | C12 | H12 | 119.0° | 120.0° |
| C10 | C11 | C12 | C13 | 54.5° | 60.0° |
| C10 | C11 | C1 | C2 | 121.8° | 60.3° |
| C10 | C11 | C1 | C6 | 53.2° | 120.0° |
| C11 | C10 | C9 | H8 | 172.3° | 60.0° |
| C11 | C10 | C9 | H9 | 53.2° | 180.0° |
| C11 | C10 | H10 | H11 | 120.4° | 120.0° |
| C10 | C11 | C12 | H13 | 174.6° | 180.0° |
| C10 | C11 | C12 | H14 | 65.7° | 60.0° |
| N1 | C8 | C13 | C12 | 68.7° | 60.0° |
| C8 | N1 | H6 | H7 | 120.0° | 123.9° |
| N1 | C8 | C9 | H8 | 56.6° | 180.0° |
| N1 | C8 | C9 | H9 | 175.7° | 60.0° |
| N1 | C8 | C13 | H15 | 52.2° | 60.0° |
| N1 | C8 | C13 | H16 | 170.5° | 180.0° |
| N1 | C8 | C7 | N2 | 5.5° | 35.0° |
| C8 | C13 | C12 | C11 | 57.2° | 59.9° |
| C8 | C13 | C12 | H15 | 120.8° | 120.0° |
| C8 | C13 | C12 | H16 | 120.8° | 120.0° |
| C13 | C8 | N1 | H6 | 61.4° | 180.0° |
| C13 | C8 | N1 | H7 | 58.6° | 56.0° |
| C13 | C8 | C9 | H8 | 177.4° | 60.0° |
| C13 | C8 | C9 | H9 | 58.3° | 180.0° |
| C8 | C13 | C12 | H13 | 177.3° | 180.0° |
| C8 | C13 | C12 | H14 | 62.9° | 60.0° |
| C8 | C13 | H15 | H16 | 117.3° | 120.0° |
| C13 | C8 | C7 | N2 | 118.8° | 155.0° |
| C1 | C11 | C12 | H12 | 121.1° | 119.9° |
| C1 | C11 | C12 | C13 | 174.4° | 180.0° |
| C11 | C1 | C2 | C6 | 175.1° | 179.8° |
| C11 | C1 | C2 | C3 | 177.9° | 179.7° |
| C11 | C1 | C6 | C5 | 176.3° | 179.7° |
| C11 | C1 | C2 | H1 | 2.1° | 0.3° |
| C11 | C1 | C6 | H5 | 3.7° | 0.3° |
| C1 | C11 | C10 | H10 | 58.2° | 60.0° |
| C1 | C11 | C10 | H11 | 62.0° | 60.1° |
| C1 | C11 | C12 | H13 | 65.5° | 60.0° |
| C1 | C11 | C12 | H14 | 54.2° | 60.0° |
| C11 | C12 | C13 | H13 | 120.1° | 120.0° |
| C11 | C12 | C13 | H14 | 120.1° | 120.0° |
| C12 | C11 | C1 | C2 | 117.8° | 59.8° |
| C12 | C11 | C1 | C6 | 67.2° | 120.0° |
| C12 | C11 | C10 | H10 | 179.4° | 180.0° |
| C12 | C11 | C10 | H11 | 60.4° | 60.0° |
| C11 | C12 | H13 | H14 | 119.6° | 120.0° |
| C11 | C12 | C13 | H15 | 178.0° | 179.9° |
| C11 | C12 | C13 | H16 | 63.6° | 60.0° |
| C13 | C12 | C11 | H12 | 64.5° | 60.0° |
| C13 | C12 | H13 | H14 | 119.6° | 120.0° |
| C12 | C13 | H15 | H16 | 117.3° | 120.0° |
| C1 | C2 | C3 | H1 | 180.0° | 179.9° |
| C1 | C2 | C3 | C4 | 2.8° | 0.1° |
| C2 | C1 | C6 | C5 | 1.3° | 0.1° |
| C1 | C2 | C3 | H2 | 177.2° | 180.0° |
| C2 | C1 | C6 | H5 | 178.7° | 180.0° |
| C2 | C1 | C11 | H12 | 3.3° | 179.8° |
| C3 | C2 | C1 | C6 | 2.7° | 0.1° |
| C2 | C3 | C4 | H2 | 180.0° | 179.9° |
| C2 | C3 | C4 | C5 | 1.3° | 0.1° |
| C2 | C3 | C4 | H3 | 178.7° | 179.9° |
| C1 | C6 | C5 | H5 | 180.0° | 180.0° |
| C1 | C6 | C5 | C4 | 0.1° | 0.1° |
| C6 | C1 | C2 | H1 | 177.3° | 180.0° |
| C1 | C6 | C5 | H4 | 180.0° | 180.0° |
| C6 | C1 | C11 | H12 | 171.7° | 0.0° |
| C3 | C4 | C5 | C6 | 0.1° | 0.1° |
| C3 | C4 | C5 | H3 | 180.0° | 180.0° |
| C4 | C3 | C2 | H1 | 177.2° | 180.0° |
| C3 | C4 | C5 | H4 | 179.9° | 180.0° |
| C6 | C5 | C4 | H4 | 180.0° | 179.8° |
| C6 | C5 | C4 | H3 | 179.9° | 179.9° |
| C5 | C4 | C3 | H2 | 178.7° | 180.0° |
| C4 | C5 | C6 | H5 | 179.9° | 179.9° |
| H1 | C2 | C3 | H2 | 2.8° | 0.1° |
| H2 | C3 | C4 | H3 | 1.3° | 0.0° |
| H3 | C4 | C5 | H4 | 0.1° | 0.1° |
| H4 | C5 | C6 | H5 | 0.1° | 0.1° |
| H8 | C9 | C10 | H10 | 52.4° | 60.0° |
| H8 | C9 | C10 | H11 | 67.8° | 179.9° |
| H9 | C9 | C10 | H10 | 66.7° | 60.0° |
| H9 | C9 | C10 | H11 | 173.1° | 60.0° |
| H10 | C10 | C11 | H12 | 60.4° | 60.0° |
| H11 | C10 | C11 | H12 | 179.4° | 180.0° |
| H12 | C11 | C12 | H13 | 55.6° | 60.0° |
| H12 | C11 | C12 | H14 | 175.3° | 180.0° |
| H13 | C12 | C13 | H15 | 61.8° | 60.0° |
| H13 | C12 | C13 | H16 | 56.5° | 60.0° |
| H14 | C12 | C13 | H15 | 57.9° | 60.0° |
| H14 | C12 | C13 | H16 | 176.3° | 180.0° |
| C14 | N2 | H17 | C7 | 180.0° | 180.0° |
| N2 | C14 | C15 | C16 | 122.4° | 120.0° |
| N2 | C14 | C15 | H18 | 119.5° | 120.0° |
| N2 | C14 | C16 | H18 | 119.3° | 120.0° |
| N2 | C14 | C15 | O2 | 138.3° | 0.0° |
| N2 | C14 | C16 | C17 | 71.9° | 65.0° |
| N2 | C14 | C16 | H19 | 167.3° | 55.0° |
| N2 | C14 | C16 | H20 | 48.8° | 175.0° |
| N2 | C14 | C15 | N4 | 40.3° | 180.0° |
| H17 | N2 | C14 | C15 | 122.9° | 25.0° |
| H17 | N2 | C14 | C16 | 0.7° | 95.0° |
| H17 | N2 | C14 | H18 | 118.1° | 145.0° |
| C15 | C14 | C16 | H18 | 118.2° | 120.0° |
| C14 | C15 | O2 | N4 | 178.5° | 179.9° |
| C15 | C14 | C16 | C17 | 50.6° | 175.0° |
| C15 | C14 | C16 | H19 | 70.2° | 65.0° |
| C15 | C14 | C16 | H20 | 171.3° | 55.0° |
| C14 | C15 | N4 | C25 | 179.1° | 175.1° |
| C14 | C15 | N4 | H27 | 0.9° | 4.8° |
| C15 | C14 | N2 | C7 | 57.2° | 155.0° |
| C16 | C14 | C15 | O2 | 99.2° | 120.0° |
| C14 | C16 | C17 | H19 | 120.7° | 120.0° |
| C14 | C16 | C17 | H20 | 120.8° | 119.9° |
| C14 | C16 | H19 | H20 | 117.7° | 120.0° |
| C14 | C16 | C17 | C18 | 84.9° | 95.0° |
| C14 | C16 | C17 | C19 | 88.4° | 84.8° |
| C16 | C14 | N2 | C7 | 179.3° | 85.0° |
| C16 | C14 | C15 | N4 | 82.1° | 60.0° |
| H18 | C14 | C15 | O2 | 18.9° | 120.0° |
| H18 | C14 | C16 | C17 | 168.7° | 55.0° |
| H18 | C14 | C16 | H19 | 48.0° | 175.0° |
| H18 | C14 | C16 | H20 | 70.5° | 65.0° |
| H18 | C14 | N2 | C7 | 61.9° | 35.0° |
| H18 | C14 | C15 | N4 | 159.8° | 60.0° |
| O2 | C15 | N4 | C25 | 2.3° | 4.9° |
| O2 | C15 | N4 | H27 | 177.7° | 175.1° |
| C17 | C16 | H19 | H20 | 117.7° | 120.1° |
| C16 | C17 | C18 | C19 | 174.3° | 179.8° |
| C16 | C17 | C18 | N3 | 178.1° | 180.0° |
| C16 | C17 | C18 | H21 | 1.9° | 0.1° |
| C16 | C17 | C19 | C20 | 178.7° | 180.0° |
| C16 | C17 | C19 | C21 | 0.9° | 0.1° |
| H19 | C16 | C17 | C18 | 154.4° | 145.0° |
| H19 | C16 | C17 | C19 | 32.3° | 35.2° |
| H20 | C16 | C17 | C18 | 35.9° | 24.9° |
| H20 | C16 | C17 | C19 | 150.8° | 155.3° |
| C17 | C18 | N3 | H21 | 180.0° | 179.9° |
| C18 | C17 | C19 | C20 | 4.2° | 0.2° |
| C18 | C17 | C19 | C21 | 173.5° | 179.7° |
| C17 | C18 | N3 | C20 | 1.8° | 0.2° |
| C17 | C18 | N3 | H22 | 178.1° | 180.0° |
| C19 | C17 | C18 | N3 | 3.8° | 0.2° |
| C19 | C17 | C18 | H21 | 176.2° | 179.9° |
| C17 | C19 | C20 | C21 | 178.2° | 180.0° |
| C17 | C19 | C20 | N3 | 3.2° | 0.1° |
| C17 | C19 | C20 | C22 | 175.5° | 179.9° |
| C17 | C19 | C21 | C23 | 176.7° | 179.9° |
| C17 | C19 | C21 | H23 | 3.3° | 0.0° |
| C18 | N3 | C20 | C19 | 0.9° | 0.0° |
| C18 | N3 | C20 | H22 | 180.0° | 179.9° |
| C18 | N3 | C20 | C22 | 177.7° | 179.8° |
| H21 | C18 | N3 | C20 | 178.1° | 179.9° |
| H21 | C18 | N3 | H22 | 1.9° | 0.1° |
| C19 | C20 | N3 | C22 | 178.6° | 179.8° |
| C19 | C20 | N3 | H22 | 179.1° | 179.9° |
| C20 | C19 | C21 | C23 | 5.8° | 0.0° |
| C20 | C19 | C21 | H23 | 174.2° | 179.9° |
| C19 | C20 | C22 | C24 | 1.8° | 0.0° |
| C19 | C20 | C22 | H24 | 178.1° | 179.9° |
| C21 | C19 | C20 | N3 | 175.0° | 179.8° |
| C21 | C19 | C20 | C22 | 6.3° | 0.0° |
| C19 | C21 | C23 | H23 | 180.0° | 179.9° |
| C19 | C21 | C23 | C24 | 1.1° | 0.0° |
| C19 | C21 | C23 | H25 | 178.9° | 180.0° |
| N3 | C20 | C22 | C24 | 179.8° | 179.8° |
| N3 | C20 | C22 | H24 | 0.3° | 0.3° |
| H22 | N3 | C20 | C22 | 2.3° | 0.1° |
| C20 | C22 | C24 | H24 | 180.0° | 179.9° |
| C20 | C22 | C24 | C23 | 3.1° | 0.0° |
| C20 | C22 | C24 | H26 | 176.9° | 180.0° |
| C21 | C23 | C24 | C22 | 3.5° | 0.0° |
| C21 | C23 | C24 | H25 | 180.0° | 180.0° |
| C21 | C23 | C24 | H26 | 176.5° | 180.0° |
| H23 | C21 | C23 | C24 | 178.9° | 179.9° |
| H23 | C21 | C23 | H25 | 1.1° | 0.1° |
| C22 | C24 | C23 | H26 | 180.0° | 179.9° |
| C22 | C24 | C23 | H25 | 176.5° | 180.0° |
| H24 | C22 | C24 | C23 | 176.9° | 180.0° |
| H24 | C22 | C24 | H26 | 3.1° | 0.1° |
| H25 | C23 | C24 | H26 | 3.5° | 0.0° |
| C25 | N4 | H27 | C15 | 180.0° | 180.0° |
| N4 | C25 | C26 | C27 | 123.9° | 120.0° |
| N4 | C25 | C26 | H28 | 119.1° | 120.0° |
| N4 | C25 | C27 | H28 | 117.5° | 120.0° |
| N4 | C25 | C26 | O3 | 137.5° | 0.0° |
| N4 | C25 | C27 | C28 | 52.7° | 65.9° |
| N4 | C25 | C27 | H29 | 173.6° | 54.1° |
| N4 | C25 | C27 | H30 | 68.1° | 174.1° |
| N4 | C25 | C26 | N6 | 41.2° | 180.0° |
| H27 | N4 | C25 | C26 | 122.7° | 97.7° |
| H27 | N4 | C25 | C27 | 2.0° | 22.3° |
| H27 | N4 | C25 | H28 | 118.9° | 142.3° |
| C26 | C25 | C27 | H28 | 117.0° | 120.0° |
| C25 | C26 | O3 | N6 | 178.7° | 179.9° |
| C26 | C25 | C27 | C28 | 72.8° | 174.2° |
| C26 | C25 | C27 | H29 | 48.1° | 65.9° |
| C26 | C25 | C27 | H30 | 166.4° | 54.2° |
| C25 | C26 | N6 | C29 | 178.6° | 175.1° |
| C25 | C26 | N6 | H33 | 1.4° | 4.8° |
| C26 | C25 | N4 | C15 | 57.4° | 82.3° |
| C27 | C25 | C26 | O3 | 98.6° | 120.0° |
| C25 | C27 | C28 | H29 | 120.9° | 120.0° |
| C25 | C27 | C28 | H30 | 120.8° | 120.0° |
| C25 | C27 | H29 | H30 | 117.4° | 120.0° |
| C25 | C27 | C28 | O4 | 71.9° | 4.4° |
| C25 | C27 | C28 | N5 | 108.8° | 175.5° |
| C27 | C25 | N4 | C15 | 178.0° | 157.7° |
| C27 | C25 | C26 | N6 | 82.7° | 60.1° |
| H28 | C25 | C26 | O3 | 18.4° | 120.0° |
| H28 | C25 | C27 | C28 | 170.2° | 54.2° |
| H28 | C25 | C27 | H29 | 68.9° | 174.1° |
| H28 | C25 | C27 | H30 | 49.4° | 65.8° |
| H28 | C25 | N4 | C15 | 61.1° | 37.7° |
| H28 | C25 | C26 | N6 | 160.3° | 59.9° |
| O3 | C26 | N6 | C29 | 0.1° | 5.0° |
| O3 | C26 | N6 | H33 | 180.0° | 175.1° |
| C28 | C27 | H29 | H30 | 117.3° | 120.0° |
| C27 | C28 | O4 | N5 | 179.3° | 180.0° |
| C27 | C28 | N5 | H31 | 179.3° | 0.0° |
| C27 | C28 | N5 | H32 | 0.7° | 180.0° |
| H29 | C27 | C28 | O4 | 167.2° | 115.6° |
| H29 | C27 | C28 | N5 | 12.1° | 64.5° |
| H30 | C27 | C28 | O4 | 48.9° | 124.5° |
| H30 | C27 | C28 | N5 | 130.4° | 55.5° |
| O4 | C28 | N5 | H31 | 0.0° | 180.0° |
| O4 | C28 | N5 | H32 | 180.0° | 0.0° |
| C28 | N5 | H31 | H32 | 180.0° | 180.0° |
| C29 | N6 | H33 | C26 | 180.0° | 179.9° |
| N6 | C29 | C30 | C31 | 123.8° | 120.0° |
| N6 | C29 | C30 | H34 | 118.6° | 120.0° |
| N6 | C29 | C31 | H34 | 118.8° | 120.0° |
| N6 | C29 | C30 | O5 | 149.4° | 21.6° |
| N6 | C29 | C31 | C32 | 69.1° | 177.6° |
| N6 | C29 | C31 | H35 | 51.9° | 57.6° |
| N6 | C29 | C31 | H36 | 169.8° | 62.5° |
| N6 | C29 | C30 | N7 | 29.4° | 158.4° |
| H33 | N6 | C29 | C30 | 108.5° | 28.3° |
| H33 | N6 | C29 | C31 | 15.3° | 91.7° |
| H33 | N6 | C29 | H34 | 133.5° | 148.3° |
| C30 | C29 | C31 | H34 | 117.5° | 120.1° |
| C29 | C30 | O5 | N7 | 178.8° | 179.9° |
| C30 | C29 | C31 | C32 | 167.2° | 62.4° |
| C30 | C29 | C31 | H35 | 71.8° | 177.6° |
| C30 | C29 | C31 | H36 | 46.2° | 57.5° |
| C29 | C30 | N7 | C35 | 177.3° | 174.5° |
| C29 | C30 | N7 | H44 | 2.7° | 5.5° |
| C30 | C29 | N6 | C26 | 71.5° | 151.6° |
| C31 | C29 | C30 | O5 | 86.7° | 98.3° |
| C29 | C31 | C32 | H35 | 121.0° | 120.0° |
| C29 | C31 | C32 | H36 | 121.0° | 119.9° |
| C29 | C31 | H35 | H36 | 116.8° | 120.0° |
| C29 | C31 | C32 | C33 | 173.4° | 66.1° |
| C29 | C31 | C32 | C34 | 50.0° | 173.9° |
| C29 | C31 | C32 | H37 | 68.6° | 53.9° |
| C31 | C29 | N6 | C26 | 164.7° | 88.4° |
| C31 | C29 | C30 | N7 | 94.4° | 81.6° |
| H34 | C29 | C30 | O5 | 30.9° | 141.6° |
| H34 | C29 | C31 | C32 | 49.7° | 57.6° |
| H34 | C29 | C31 | H35 | 170.7° | 62.4° |
| H34 | C29 | C31 | H36 | 71.4° | 177.6° |
| H34 | C29 | N6 | C26 | 46.5° | 31.6° |
| H34 | C29 | C30 | N7 | 148.0° | 38.5° |
| O5 | C30 | N7 | C35 | 1.5° | 5.5° |
| O5 | C30 | N7 | H44 | 178.5° | 174.4° |
| C32 | C31 | H35 | H36 | 116.8° | 120.0° |
| C31 | C32 | C33 | C34 | 124.4° | 120.0° |
| C31 | C32 | C33 | H37 | 117.9° | 120.1° |
| C31 | C32 | C34 | H37 | 118.7° | 120.0° |
| C31 | C32 | C33 | H38 | 180.0° | 176.2° |
| C31 | C32 | C33 | H39 | 60.0° | 56.2° |
| C31 | C32 | C33 | H40 | 60.0° | 63.8° |
| C31 | C32 | C34 | H41 | 180.0° | 60.0° |
| C31 | C32 | C34 | H42 | 60.0° | 180.0° |
| C31 | C32 | C34 | H43 | 60.0° | 60.0° |
| H35 | C31 | C32 | C33 | 65.6° | 53.9° |
| H35 | C31 | C32 | C34 | 171.0° | 66.1° |
| H35 | C31 | C32 | H37 | 52.4° | 173.9° |
| H36 | C31 | C32 | C33 | 52.4° | 173.9° |
| H36 | C31 | C32 | C34 | 71.0° | 53.9° |
| H36 | C31 | C32 | H37 | 170.3° | 66.0° |
| C33 | C32 | C34 | H37 | 117.9° | 120.0° |
| C32 | C33 | H38 | H39 | 120.0° | 120.0° |
| C32 | C33 | H38 | H40 | 120.0° | 120.0° |
| C32 | C33 | H39 | H40 | 120.0° | 120.0° |
| C33 | C32 | C34 | H41 | 56.6° | 180.0° |
| C33 | C32 | C34 | H42 | 63.4° | 60.0° |
| C33 | C32 | C34 | H43 | 176.6° | 60.0° |
| C34 | C32 | C33 | H38 | 55.6° | 63.9° |
| C34 | C32 | C33 | H39 | 175.6° | 176.2° |
| C34 | C32 | C33 | H40 | 64.4° | 56.2° |
| C32 | C34 | H41 | H42 | 120.0° | 120.0° |
| C32 | C34 | H41 | H43 | 120.0° | 120.0° |
| C32 | C34 | H42 | H43 | 120.0° | 120.0° |
| H37 | C32 | C33 | H38 | 62.1° | 56.1° |
| H37 | C32 | C33 | H39 | 58.0° | 63.9° |
| H37 | C32 | C33 | H40 | 178.0° | 176.1° |
| H37 | C32 | C34 | H41 | 61.3° | 60.0° |
| H37 | C32 | C34 | H42 | 178.8° | 60.0° |
| H37 | C32 | C34 | H43 | 58.7° | 180.0° |
| H38 | C33 | H39 | H40 | 119.9° | 120.0° |
| H41 | C34 | H42 | H43 | 119.9° | 120.1° |
| C35 | N7 | H44 | C30 | 180.0° | 180.0° |
| N7 | C35 | C36 | C37 | 123.5° | 120.0° |
| N7 | C35 | C36 | H45 | 118.2° | 120.0° |
| N7 | C35 | C37 | H45 | 119.7° | 120.1° |
| N7 | C35 | C36 | O6 | 140.0° | 0.0° |
| N7 | C35 | C37 | C38 | 69.2° | 65.0° |
| N7 | C35 | C37 | H46 | 51.4° | 55.0° |
| N7 | C35 | C37 | H47 | 170.2° | 175.0° |
| N7 | C35 | C36 | N9 | 35.4° | 179.9° |
| H44 | N7 | C35 | C36 | 104.0° | 25.0° |
| H44 | N7 | C35 | C37 | 19.3° | 95.0° |
| H44 | N7 | C35 | H45 | 138.4° | 144.9° |
| C36 | C35 | C37 | H45 | 118.4° | 119.9° |
| C35 | C36 | O6 | N9 | 175.0° | 179.9° |
| C36 | C35 | C37 | C38 | 169.0° | 175.0° |
| C36 | C35 | C37 | H46 | 70.5° | 65.0° |
| C36 | C35 | C37 | H47 | 48.4° | 55.0° |
| C35 | C36 | N9 | C41 | 178.9° | 179.9° |
| C35 | C36 | N9 | H57 | 1.1° | 0.0° |
| C36 | C35 | N7 | C30 | 76.1° | 155.0° |
| C37 | C35 | C36 | O6 | 96.5° | 120.0° |
| C35 | C37 | C38 | H46 | 120.6° | 120.0° |
| C35 | C37 | C38 | H47 | 120.5° | 120.0° |
| C35 | C37 | H46 | H47 | 118.2° | 120.0° |
| C35 | C37 | C38 | C39 | 170.1° | 180.0° |
| C35 | C37 | C38 | H48 | 69.5° | 60.0° |
| C35 | C37 | C38 | H49 | 49.7° | 60.0° |
| C37 | C35 | N7 | C30 | 160.7° | 85.0° |
| C37 | C35 | C36 | N9 | 88.2° | 59.9° |
| H45 | C35 | C36 | O6 | 21.8° | 120.0° |
| H45 | C35 | C37 | C38 | 50.5° | 55.1° |
| H45 | C35 | C37 | H46 | 171.1° | 175.0° |
| H45 | C35 | C37 | H47 | 70.0° | 64.9° |
| H45 | C35 | N7 | C30 | 41.6° | 35.1° |
| H45 | C35 | C36 | N9 | 153.5° | 60.1° |
| O6 | C36 | N9 | C41 | 5.9° | 0.0° |
| O6 | C36 | N9 | H57 | 174.1° | 180.0° |
| C38 | C37 | H46 | H47 | 118.3° | 120.0° |
| C37 | C38 | C39 | H48 | 120.5° | 119.9° |
| C37 | C38 | C39 | H49 | 120.5° | 120.1° |
| C37 | C38 | H48 | H49 | 118.6° | 120.0° |
| C37 | C38 | C39 | C40 | 180.0° | 180.0° |
| C37 | C38 | C39 | H50 | 59.6° | 60.1° |
| C37 | C38 | C39 | H51 | 59.6° | 59.9° |
| H46 | C37 | C38 | C39 | 49.5° | 60.1° |
| H46 | C37 | C38 | H48 | 170.0° | NaN° |
| H46 | C37 | C38 | H49 | 70.9° | 60.0° |
| H47 | C37 | C38 | C39 | 69.4° | 59.9° |
| H47 | C37 | C38 | H48 | 51.1° | 60.0° |
| H47 | C37 | C38 | H49 | 170.2° | NaN° |
| C39 | C38 | H48 | H49 | 118.6° | 120.0° |
| C38 | C39 | C40 | H50 | 120.4° | 119.9° |
| C38 | C39 | C40 | H51 | 120.4° | 120.1° |
| C38 | C39 | H50 | H51 | 118.7° | 120.0° |
| C38 | C39 | C40 | N8 | 171.4° | 180.0° |
| C38 | C39 | C40 | H52 | 50.9° | 60.1° |
| C38 | C39 | C40 | H53 | 68.2° | 59.9° |
| H48 | C38 | C39 | C40 | 59.6° | 60.1° |
| H48 | C38 | C39 | H50 | 180.0° | 180.0° |
| H48 | C38 | C39 | H51 | 60.9° | 60.0° |
| H49 | C38 | C39 | C40 | 59.5° | 59.9° |
| H49 | C38 | C39 | H50 | 60.9° | 60.0° |
| H49 | C38 | C39 | H51 | 179.9° | 180.0° |
| C40 | C39 | H50 | H51 | 118.7° | 120.0° |
| C39 | C40 | N8 | H52 | 120.4° | 120.0° |
| C39 | C40 | N8 | H53 | 120.4° | 120.0° |
| C39 | C40 | H52 | H53 | 118.6° | 120.0° |
| C39 | C40 | N8 | H54 | 180.0° | 60.0° |
| C39 | C40 | N8 | H55 | 60.0° | 59.9° |
| C39 | C40 | N8 | H56 | 60.0° | 180.0° |
| H50 | C39 | C40 | N8 | 68.2° | 60.0° |
| H50 | C39 | C40 | H52 | 171.3° | 180.0° |
| H50 | C39 | C40 | H53 | 52.2° | 60.0° |
| H51 | C39 | C40 | N8 | 51.0° | 60.0° |
| H51 | C39 | C40 | H52 | 69.5° | 60.0° |
| H51 | C39 | C40 | H53 | 171.4° | 180.0° |
| N8 | C40 | H52 | H53 | 118.7° | 120.0° |
| C40 | N8 | H54 | H55 | 120.0° | 120.0° |
| C40 | N8 | H54 | H56 | 120.0° | 120.1° |
| C40 | N8 | H55 | H56 | 120.0° | 120.1° |
| H52 | C40 | N8 | H54 | 59.6° | 180.0° |
| H52 | C40 | N8 | H55 | 179.5° | 60.0° |
| H52 | C40 | N8 | H56 | 60.4° | 60.0° |
| H53 | C40 | N8 | H54 | 59.5° | 60.0° |
| H53 | C40 | N8 | H55 | 60.4° | 180.0° |
| H53 | C40 | N8 | H56 | 179.5° | 60.0° |
| H54 | N8 | H55 | H56 | 120.0° | 119.9° |
| C41 | N9 | H57 | C36 | 180.0° | 180.0° |
| N9 | C41 | C42 | C47 | 124.8° | 120.0° |
| N9 | C41 | C42 | H58 | 117.1° | 120.0° |
| N9 | C41 | C47 | H58 | 119.5° | 120.0° |
| N9 | C41 | C42 | C44 | 177.9° | 65.0° |
| N9 | C41 | C42 | H59 | 61.8° | 55.0° |
| N9 | C41 | C42 | H60 | 57.5° | 175.0° |
| N9 | C41 | C47 | O7 | 137.5° | 0.0° |
| N9 | C41 | C47 | N13 | 41.9° | 180.0° |
| H57 | N9 | C41 | C42 | 6.7° | 95.0° |
| H57 | N9 | C41 | C47 | 117.5° | 25.0° |
| H57 | N9 | C41 | H58 | 123.4° | 145.0° |
| C42 | C41 | C47 | H58 | 118.1° | 120.0° |
| C41 | C42 | C44 | H59 | 120.4° | 120.1° |
| C41 | C42 | C44 | H60 | 120.4° | 120.0° |
| C41 | C42 | H59 | H60 | 118.8° | 120.0° |
| C41 | C42 | C44 | C43 | 66.9° | 180.0° |
| C41 | C42 | C44 | H63 | 172.9° | 60.0° |
| C41 | C42 | C44 | H64 | 53.4° | 60.0° |
| C42 | C41 | C47 | O7 | 100.1° | 119.9° |
| C42 | C41 | N9 | C36 | 173.3° | 85.0° |
| C42 | C41 | C47 | N13 | 80.5° | 60.1° |
| C47 | C41 | C42 | C44 | 53.0° | 175.0° |
| C47 | C41 | C42 | H59 | 173.4° | 65.0° |
| C47 | C41 | C42 | H60 | 67.4° | 55.0° |
| C41 | C47 | O7 | N13 | 179.4° | 180.0° |
| C41 | C47 | N13 | C48 | 177.6° | 180.0° |
| C41 | C47 | N13 | H71 | 2.4° | 0.0° |
| C47 | C41 | N9 | C36 | 62.5° | 155.0° |
| H58 | C41 | C42 | C44 | 65.0° | 54.9° |
| H58 | C41 | C42 | H59 | 55.3° | 175.0° |
| H58 | C41 | C42 | H60 | 174.6° | 65.0° |
| H58 | C41 | C47 | O7 | 18.0° | 120.0° |
| H58 | C41 | N9 | C36 | 56.6° | 35.0° |
| H58 | C41 | C47 | N13 | 161.4° | 60.0° |
| C44 | C42 | H59 | H60 | 118.8° | 119.9° |
| C42 | C44 | C43 | H63 | 120.2° | 120.0° |
| C42 | C44 | C43 | H64 | 120.3° | 120.0° |
| C42 | C44 | C43 | C45 | 169.3° | 180.0° |
| C42 | C44 | C43 | H61 | 49.5° | 60.0° |
| C42 | C44 | C43 | H62 | 70.9° | 60.0° |
| C42 | C44 | H63 | H64 | 119.2° | 120.0° |
| H59 | C42 | C44 | C43 | 53.5° | 60.0° |
| H59 | C42 | C44 | H63 | 66.8° | 180.0° |
| H59 | C42 | C44 | H64 | 173.7° | 60.0° |
| H60 | C42 | C44 | C43 | 172.7° | 60.0° |
| H60 | C42 | C44 | H63 | 52.5° | 60.0° |
| H60 | C42 | C44 | H64 | 67.0° | 180.0° |
| C44 | C43 | C45 | H61 | 119.7° | 120.0° |
| C44 | C43 | C45 | H62 | 119.7° | 120.0° |
| C44 | C43 | H61 | H62 | 120.7° | 120.0° |
| C43 | C44 | H63 | H64 | 119.3° | 119.9° |
| C44 | C43 | C45 | N10 | 167.7° | 180.0° |
| C44 | C43 | C45 | H65 | 48.1° | 60.0° |
| C44 | C43 | C45 | H66 | 72.7° | 60.0° |
| C45 | C43 | H61 | H62 | 120.7° | 119.9° |
| C45 | C43 | C44 | H63 | 70.5° | 60.0° |
| C45 | C43 | C44 | H64 | 49.0° | 60.0° |
| C43 | C45 | N10 | H65 | 119.6° | 120.0° |
| C43 | C45 | N10 | H66 | 119.6° | 120.1° |
| C43 | C45 | H65 | H66 | 121.2° | 120.0° |
| C43 | C45 | N10 | C46 | 92.3° | 180.0° |
| C43 | C45 | N10 | H67 | 87.7° | 0.0° |
| H61 | C43 | C44 | H63 | 169.8° | 180.0° |
| H61 | C43 | C44 | H64 | 70.7° | 60.0° |
| H61 | C43 | C45 | N10 | 72.6° | 60.0° |
| H61 | C43 | C45 | H65 | 167.8° | 180.0° |
| H61 | C43 | C45 | H66 | 47.0° | 60.1° |
| H62 | C43 | C44 | H63 | 49.3° | 60.0° |
| H62 | C43 | C44 | H64 | 168.8° | 180.0° |
| H62 | C43 | C45 | N10 | 47.9° | 59.9° |
| H62 | C43 | C45 | H65 | 71.7° | 60.0° |
| H62 | C43 | C45 | H66 | 167.5° | 180.0° |
| N10 | C45 | H65 | H66 | 121.1° | 120.0° |
| C45 | N10 | C46 | H67 | 180.0° | 180.0° |
| C45 | N10 | C46 | N11 | 178.7° | 180.0° |
| C45 | N10 | C46 | N12 | 0.6° | 0.1° |
| H65 | C45 | N10 | C46 | 148.1° | 60.0° |
| H65 | C45 | N10 | H67 | 31.9° | 120.0° |
| H66 | C45 | N10 | C46 | 27.3° | 59.9° |
| H66 | C45 | N10 | H67 | 152.7° | 120.0° |
| N10 | C46 | N11 | N12 | 178.2° | 180.0° |
| N10 | C46 | N11 | H68 | 178.2° | 179.9° |
| N10 | C46 | N12 | H69 | 178.1° | 0.1° |
| N10 | C46 | N12 | H70 | 1.8° | 180.0° |
| H67 | N10 | C46 | N11 | 1.3° | 0.0° |
| H67 | N10 | C46 | N12 | 179.4° | 180.0° |
| N11 | C46 | N12 | H69 | 0.0° | 179.9° |
| N11 | C46 | N12 | H70 | 180.0° | 0.1° |
| N12 | C46 | N11 | H68 | 0.0° | 0.0° |
| C46 | N12 | H69 | H70 | 180.0° | 179.9° |
| O7 | C47 | N13 | C48 | 1.8° | 0.0° |
| O7 | C47 | N13 | H71 | 178.2° | 180.0° |
| C48 | N13 | H71 | C47 | 180.0° | 180.0° |
| N13 | C48 | C49 | C50 | 127.5° | 120.0° |
| N13 | C48 | C49 | H72 | 116.9° | 120.0° |
| N13 | C48 | C50 | H72 | 116.9° | 120.0° |
| N13 | C48 | C49 | O8 | 176.8° | 0.0° |
| N13 | C48 | C50 | C51 | 63.3° | 59.9° |
| N13 | C48 | C50 | C52 | 62.0° | 60.0° |
| N13 | C48 | C50 | H73 | 178.8° | 180.0° |
| N13 | C48 | C49 | N14 | 1.8° | 180.0° |
| H71 | N13 | C48 | C49 | 99.3° | 25.0° |
| H71 | N13 | C48 | C50 | 27.9° | 95.0° |
| H71 | N13 | C48 | H72 | 144.3° | 145.0° |
| C49 | C48 | C50 | H72 | 115.8° | 120.0° |
| C48 | C49 | O8 | N14 | 178.5° | 180.0° |
| C49 | C48 | C50 | C51 | 64.0° | 60.1° |
| C49 | C48 | C50 | C52 | 170.7° | 180.0° |
| C49 | C48 | C50 | H73 | 54.0° | 60.0° |
| C48 | C49 | N14 | C54 | 178.9° | 180.0° |
| C48 | C49 | N14 | H82 | 1.1° | 0.0° |
| C49 | C48 | N13 | C47 | 80.7° | 155.0° |
| C50 | C48 | C49 | O8 | 49.3° | 120.0° |
| C48 | C50 | C51 | C52 | 124.7° | 119.9° |
| C48 | C50 | C51 | H73 | 117.9° | 120.0° |
| C48 | C50 | C52 | H73 | 116.6° | 120.0° |
| C48 | C50 | C51 | C53 | 153.6° | 175.0° |
| C48 | C50 | C51 | H74 | 85.8° | 65.0° |
| C48 | C50 | C51 | H75 | 33.0° | 55.0° |
| C48 | C50 | C52 | H76 | 180.0° | 60.0° |
| C48 | C50 | C52 | H77 | 60.0° | 180.0° |
| C48 | C50 | C52 | H78 | 60.0° | 60.0° |
| C50 | C48 | N13 | C47 | 152.0° | 85.0° |
| C50 | C48 | C49 | N14 | 129.3° | 60.0° |
| H72 | C48 | C49 | O8 | 66.3° | 120.0° |
| H72 | C48 | C50 | C51 | 179.7° | 180.0° |
| H72 | C48 | C50 | C52 | 55.0° | 60.0° |
| H72 | C48 | C50 | H73 | 61.8° | 60.0° |
| H72 | C48 | N13 | C47 | 35.7° | 35.0° |
| H72 | C48 | C49 | N14 | 115.1° | 60.0° |
| O8 | C49 | N14 | C54 | 2.6° | 0.0° |
| O8 | C49 | N14 | H82 | 177.4° | 180.0° |
| C51 | C50 | C52 | H73 | 117.2° | 120.1° |
| C50 | C51 | C53 | H74 | 120.6° | 120.0° |
| C50 | C51 | C53 | H75 | 120.6° | 120.0° |
| C50 | C51 | H74 | H75 | 118.1° | 120.0° |
| C51 | C50 | C52 | H76 | 53.8° | 59.9° |
| C51 | C50 | C52 | H77 | 173.8° | 60.0° |
| C51 | C50 | C52 | H78 | 66.2° | 180.0° |
| C50 | C51 | C53 | H79 | 180.0° | 180.0° |
| C50 | C51 | C53 | H80 | 60.0° | 60.0° |
| C50 | C51 | C53 | H81 | 60.0° | 60.0° |
| C52 | C50 | C51 | C53 | 81.6° | 65.0° |
| C52 | C50 | C51 | H74 | 39.0° | 54.9° |
| C52 | C50 | C51 | H75 | 157.7° | 175.0° |
| C50 | C52 | H76 | H77 | 120.0° | 120.0° |
| C50 | C52 | H76 | H78 | 120.0° | 120.0° |
| C50 | C52 | H77 | H78 | 120.0° | 120.0° |
| H73 | C50 | C51 | C53 | 35.7° | 55.0° |
| H73 | C50 | C51 | H74 | 156.3° | 175.0° |
| H73 | C50 | C51 | H75 | 84.9° | 65.0° |
| H73 | C50 | C52 | H76 | 63.4° | 180.0° |
| H73 | C50 | C52 | H77 | 56.6° | 60.0° |
| H73 | C50 | C52 | H78 | 176.6° | 60.0° |
| C53 | C51 | H74 | H75 | 118.1° | 120.0° |
| C51 | C53 | H79 | H80 | 120.0° | 120.0° |
| C51 | C53 | H79 | H81 | 120.0° | 120.0° |
| C51 | C53 | H80 | H81 | 120.0° | 120.0° |
| H74 | C51 | C53 | H79 | 59.4° | 60.0° |
| H74 | C51 | C53 | H80 | 179.4° | 180.0° |
| H74 | C51 | C53 | H81 | 60.6° | 60.0° |
| H75 | C51 | C53 | H79 | 59.4° | 60.0° |
| H75 | C51 | C53 | H80 | 60.7° | 60.0° |
| H75 | C51 | C53 | H81 | 179.4° | 180.0° |
| H76 | C52 | H77 | H78 | 120.0° | 120.0° |
| H79 | C53 | H80 | H81 | 119.9° | 120.0° |
| C54 | N14 | H82 | C49 | 180.0° | 180.0° |
| N14 | C54 | C55 | H83 | 120.6° | 120.0° |
| N14 | C54 | C55 | H84 | 120.6° | 120.0° |
| N14 | C54 | H83 | H84 | 118.0° | 120.0° |
| N14 | C54 | C55 | O9 | 143.3° | 0.0° |
| N14 | C54 | C55 | N15 | 37.6° | 180.0° |
| H82 | N14 | C54 | C55 | 103.9° | 0.0° |
| H82 | N14 | C54 | H83 | 16.8° | 120.0° |
| H82 | N14 | C54 | H84 | 135.5° | 120.0° |
| C55 | C54 | H83 | H84 | 118.0° | 120.0° |
| C54 | C55 | O9 | N15 | 179.1° | 180.0° |
| C54 | C55 | N15 | C56 | 178.7° | 180.0° |
| C54 | C55 | N15 | H85 | 1.3° | 0.1° |
| C55 | C54 | N14 | C49 | 76.1° | 180.0° |
| H83 | C54 | C55 | O9 | 96.0° | 120.0° |
| H83 | C54 | N14 | C49 | 163.2° | 60.0° |
| H83 | C54 | C55 | N15 | 83.1° | 59.9° |
| H84 | C54 | C55 | O9 | 22.7° | 120.0° |
| H84 | C54 | N14 | C49 | 44.5° | 60.0° |
| H84 | C54 | C55 | N15 | 158.2° | 60.0° |
| O9 | C55 | N15 | C56 | 0.4° | 0.1° |
| O9 | C55 | N15 | H85 | 179.6° | 180.0° |
| C56 | N15 | H85 | C55 | 180.0° | 179.9° |
| N15 | C56 | C57 | C58 | 123.4° | 120.0° |
| N15 | C56 | C57 | H86 | 118.9° | 120.0° |
| N15 | C56 | C58 | H86 | 119.1° | 120.0° |
| N15 | C56 | C57 | O10 | 139.1° | 0.1° |
| N15 | C56 | C58 | C59 | 169.3° | 64.9° |
| N15 | C56 | C58 | H87 | 48.3° | 55.0° |
| N15 | C56 | C58 | H88 | 69.7° | 175.0° |
| N15 | C56 | C57 | N16 | 42.5° | 180.0° |
| H85 | N15 | C56 | C57 | 82.2° | 25.0° |
| H85 | N15 | C56 | C58 | 40.8° | 95.0° |
| H85 | N15 | C56 | H86 | 159.4° | 145.0° |
| C57 | C56 | C58 | H86 | 117.7° | 120.0° |
| C56 | C57 | O10 | N16 | 178.4° | 179.9° |
| C57 | C56 | C58 | C59 | 67.5° | 175.0° |
| C57 | C56 | C58 | H87 | 171.5° | 65.0° |
| C57 | C56 | C58 | H88 | 53.5° | 55.0° |
| C56 | C57 | N16 | C62 | 179.9° | 180.0° |
| C56 | C57 | N16 | H96 | 0.1° | 0.0° |
| C57 | C56 | N15 | C55 | 97.8° | 155.0° |
| C58 | C56 | C57 | O10 | 97.5° | 120.0° |
| C56 | C58 | C59 | H87 | 121.0° | 120.0° |
| C56 | C58 | C59 | H88 | 121.0° | 120.1° |
| C56 | C58 | H87 | H88 | 116.9° | 120.0° |
| C56 | C58 | C59 | C60 | 59.9° | 175.0° |
| C56 | C58 | C59 | C61 | 176.8° | 65.1° |
| C56 | C58 | C59 | H89 | 58.9° | 55.0° |
| C58 | C56 | N15 | C55 | 139.2° | 85.0° |
| C58 | C56 | C57 | N16 | 81.0° | 59.9° |
| H86 | C56 | C57 | O10 | 20.1° | 120.1° |
| H86 | C56 | C58 | C59 | 50.2° | 55.0° |
| H86 | C56 | C58 | H87 | 70.8° | 175.0° |
| H86 | C56 | C58 | H88 | 171.2° | 65.0° |
| H86 | C56 | N15 | C55 | 20.6° | 34.9° |
| H86 | C56 | C57 | N16 | 161.4° | 60.0° |
| O10 | C57 | N16 | C62 | 1.5° | 0.1° |
| O10 | C57 | N16 | H96 | 178.5° | 179.9° |
| C59 | C58 | H87 | H88 | 116.9° | 120.0° |
| C58 | C59 | C60 | C61 | 123.0° | 120.0° |
| C58 | C59 | C60 | H89 | 118.8° | 120.1° |
| C58 | C59 | C61 | H89 | 117.8° | 120.1° |
| C58 | C59 | C60 | H90 | 180.0° | 60.0° |
| C58 | C59 | C60 | H91 | 60.0° | 179.9° |
| C58 | C59 | C60 | H92 | 60.0° | 60.0° |
| C58 | C59 | C61 | H93 | 180.0° | 60.0° |
| C58 | C59 | C61 | H94 | 60.0° | 180.0° |
| C58 | C59 | C61 | H95 | 60.0° | 60.0° |
| H87 | C58 | C59 | C60 | 61.1° | 55.0° |
| H87 | C58 | C59 | C61 | 62.2° | 175.0° |
| H87 | C58 | C59 | H89 | 179.9° | 65.0° |
| H88 | C58 | C59 | C60 | 179.1° | 64.9° |
| H88 | C58 | C59 | C61 | 55.8° | 55.0° |
| H88 | C58 | C59 | H89 | 62.1° | 175.0° |
| C60 | C59 | C61 | H89 | 118.2° | 120.0° |
| C59 | C60 | H90 | H91 | 120.0° | 120.0° |
| C59 | C60 | H90 | H92 | 120.0° | 120.0° |
| C59 | C60 | H91 | H92 | 120.0° | 120.0° |
| C60 | C59 | C61 | H93 | 56.0° | 180.0° |
| C60 | C59 | C61 | H94 | 64.0° | 60.0° |
| C60 | C59 | C61 | H95 | 176.0° | 60.0° |
| C61 | C59 | C60 | H90 | 57.0° | 60.0° |
| C61 | C59 | C60 | H91 | 177.0° | 60.0° |
| C61 | C59 | C60 | H92 | 63.0° | 180.0° |
| C59 | C61 | H93 | H94 | 120.0° | 120.0° |
| C59 | C61 | H93 | H95 | 120.0° | 120.0° |
| C59 | C61 | H94 | H95 | 120.0° | 120.1° |
| H89 | C59 | C60 | H90 | 61.2° | 180.0° |
| H89 | C59 | C60 | H91 | 58.8° | 60.0° |
| H89 | C59 | C60 | H92 | 178.8° | 60.0° |
| H89 | C59 | C61 | H93 | 62.2° | 60.0° |
| H89 | C59 | C61 | H94 | 177.8° | 59.9° |
| H89 | C59 | C61 | H95 | 57.8° | 180.0° |
| H90 | C60 | H91 | H92 | 120.0° | 119.9° |
| H93 | C61 | H94 | H95 | 120.0° | 120.0° |
| C62 | N16 | H96 | C57 | 180.0° | 180.0° |
| N16 | C62 | C63 | C64 | 120.2° | 120.0° |
| N16 | C62 | C63 | H97 | 120.6° | 120.1° |
| N16 | C62 | C64 | H97 | 121.6° | 120.0° |
| N16 | C62 | C63 | O11 | 29.2° | 0.0° |
| N16 | C62 | C64 | C65 | 55.3° | 65.0° |
| N16 | C62 | C64 | H98 | 65.7° | 55.0° |
| N16 | C62 | C64 | H99 | 176.3° | 175.0° |
| N16 | C62 | C63 | N17 | 152.0° | 180.0° |
| H96 | N16 | C62 | C63 | 66.3° | 24.9° |
| H96 | N16 | C62 | C64 | 52.5° | 95.0° |
| H96 | N16 | C62 | H97 | 173.4° | 145.0° |
| C63 | C62 | C64 | H97 | 119.3° | 120.0° |
| C62 | C63 | O11 | N17 | 178.7° | 180.0° |
| C63 | C62 | C64 | C65 | 174.5° | 175.0° |
| C63 | C62 | C64 | H98 | 53.4° | 65.0° |
| C63 | C62 | C64 | H99 | 64.5° | 55.0° |
| C62 | C63 | N17 | C68 | 176.8° | 180.0° |
| C62 | C63 | N17 | H107 | 3.3° | 0.0° |
| C63 | C62 | N16 | C57 | 113.7° | 155.1° |
| C64 | C62 | C63 | O11 | 91.0° | 120.0° |
| C62 | C64 | C65 | H98 | 121.0° | 120.1° |
| C62 | C64 | C65 | H99 | 121.0° | 120.0° |
| C62 | C64 | H98 | H99 | 116.8° | 120.0° |
| C62 | C64 | C65 | C66 | 174.9° | 175.0° |
| C62 | C64 | C65 | C67 | 61.3° | 65.0° |
| C62 | C64 | C65 | H100 | 57.0° | 55.0° |
| C64 | C62 | N16 | C57 | 127.5° | 85.0° |
| C64 | C62 | C63 | N17 | 87.8° | 60.0° |
| H97 | C62 | C63 | O11 | 149.9° | 120.0° |
| H97 | C62 | C64 | C65 | 66.2° | 55.0° |
| H97 | C62 | C64 | H98 | 172.7° | 175.0° |
| H97 | C62 | C64 | H99 | 54.8° | 65.0° |
| H97 | C62 | N16 | C57 | 6.5° | 35.0° |
| H97 | C62 | C63 | N17 | 31.4° | 60.0° |
| O11 | C63 | N17 | C68 | 1.9° | 0.0° |
| O11 | C63 | N17 | H107 | 178.0° | 180.0° |
| C65 | C64 | H98 | H99 | 116.8° | 120.0° |
| C64 | C65 | C66 | C67 | 124.3° | 120.0° |
| C64 | C65 | C66 | H100 | 117.8° | 119.9° |
| C64 | C65 | C67 | H100 | 118.2° | 120.0° |
| C64 | C65 | C66 | H101 | 180.0° | 60.1° |
| C64 | C65 | C66 | H102 | 60.0° | 180.0° |
| C64 | C65 | C66 | H103 | 60.0° | 60.0° |
| C64 | C65 | C67 | H104 | 180.0° | 60.0° |
| C64 | C65 | C67 | H105 | 60.0° | 60.0° |
| C64 | C65 | C67 | H106 | 60.0° | 180.0° |
| H98 | C64 | C65 | C66 | 53.9° | 54.9° |
| H98 | C64 | C65 | C67 | 177.7° | 175.0° |
| H98 | C64 | C65 | H100 | 64.0° | 65.0° |
| H99 | C64 | C65 | C66 | 64.0° | 65.0° |
| H99 | C64 | C65 | C67 | 59.8° | 55.0° |
| H99 | C64 | C65 | H100 | 178.1° | 175.0° |
| C66 | C65 | C67 | H100 | 117.9° | 120.0° |
| C65 | C66 | H101 | H102 | 120.0° | 120.0° |
| C65 | C66 | H101 | H103 | 120.0° | 120.1° |
| C65 | C66 | H102 | H103 | 120.0° | 120.0° |
| C66 | C65 | C67 | H104 | 56.2° | 60.0° |
| C66 | C65 | C67 | H105 | 63.9° | 180.0° |
| C66 | C65 | C67 | H106 | 176.2° | 60.1° |
| C67 | C65 | C66 | H101 | 55.6° | 60.0° |
| C67 | C65 | C66 | H102 | 175.7° | 60.0° |
| C67 | C65 | C66 | H103 | 64.3° | 180.0° |
| C65 | C67 | H104 | H105 | 120.0° | 120.0° |
| C65 | C67 | H104 | H106 | 120.0° | 120.0° |
| C65 | C67 | H105 | H106 | 120.0° | 120.0° |
| H100 | C65 | C66 | H101 | 62.2° | 180.0° |
| H100 | C65 | C66 | H102 | 57.8° | 60.0° |
| H100 | C65 | C66 | H103 | 177.8° | 60.0° |
| H100 | C65 | C67 | H104 | 61.7° | 180.0° |
| H100 | C65 | C67 | H105 | 178.2° | 60.0° |
| H100 | C65 | C67 | H106 | 58.3° | 60.0° |
| H101 | C66 | H102 | H103 | 120.0° | 120.0° |
| H104 | C67 | H105 | H106 | 120.0° | 120.1° |
| C68 | N17 | H107 | C63 | 180.0° | 180.0° |
| N17 | C68 | C69 | C70 | 122.1° | 120.0° |
| N17 | C68 | C69 | H108 | 119.8° | 120.0° |
| N17 | C68 | C70 | H108 | 120.9° | 120.0° |
| N17 | C68 | C69 | O12 | 83.0° | 0.0° |
| N17 | C68 | C69 | O13 | 45.5° | 180.0° |
| N17 | C68 | C70 | C71 | 72.9° | 65.0° |
| N17 | C68 | C70 | H109 | 47.8° | 55.0° |
| N17 | C68 | C70 | H110 | 166.3° | 175.0° |
| H107 | N17 | C68 | C69 | 82.2° | 95.0° |
| H107 | N17 | C68 | C70 | 38.2° | 25.0° |
| H107 | N17 | C68 | H108 | 158.5° | 145.0° |
| C69 | C68 | C70 | H108 | 118.2° | 120.0° |
| C68 | C69 | O12 | O13 | 25.8° | 180.0° |
| C69 | C68 | C70 | C71 | 166.1° | 175.0° |
| C69 | C68 | C70 | H109 | 73.1° | 65.0° |
| C69 | C68 | C70 | H110 | 45.4° | 55.0° |
| C68 | C69 | O13 | H120 | 90.0° | 180.0° |
| C69 | C68 | N17 | C63 | 97.8° | 85.0° |
| C70 | C68 | C69 | O12 | 155.0° | 120.0° |
| C70 | C68 | C69 | O13 | 167.6° | 60.0° |
| C68 | C70 | C71 | H109 | 120.8° | 120.0° |
| C68 | C70 | C71 | H110 | 120.8° | 120.0° |
| C68 | C70 | H109 | H110 | 117.6° | 120.0° |
| C68 | C70 | C71 | C72 | 167.4° | 180.0° |
| C68 | C70 | C71 | H111 | 47.2° | 60.0° |
| C68 | C70 | C71 | H112 | 72.4° | 60.0° |
| C70 | C68 | N17 | C63 | 141.8° | 155.0° |
| H108 | C68 | C69 | O12 | 36.8° | 120.0° |
| H108 | C68 | C69 | O13 | 74.3° | 60.0° |
| H108 | C68 | C70 | C71 | 48.0° | 55.0° |
| H108 | C68 | C70 | H109 | 168.7° | 175.0° |
| H108 | C68 | C70 | H110 | 72.8° | 65.0° |
| H108 | C68 | N17 | C63 | 21.4° | 35.0° |
| O12 | C69 | O13 | H120 | 90.0° | 0.0° |
| C71 | C70 | H109 | H110 | 117.5° | 120.0° |
| C70 | C71 | C72 | H111 | 120.2° | 120.0° |
| C70 | C71 | C72 | H112 | 120.2° | 120.0° |
| C70 | C71 | H111 | H112 | 119.3° | 120.0° |
| C70 | C71 | C72 | N18 | 160.5° | 180.0° |
| C70 | C71 | C72 | H113 | 40.0° | 60.0° |
| C70 | C71 | C72 | H114 | 79.0° | 60.0° |
| H109 | C70 | C71 | C72 | 71.9° | 59.9° |
| H109 | C70 | C71 | H111 | 167.9° | 180.0° |
| H109 | C70 | C71 | H112 | 48.4° | 60.0° |
| H110 | C70 | C71 | C72 | 46.6° | 60.1° |
| H110 | C70 | C71 | H111 | 73.6° | 60.0° |
| H110 | C70 | C71 | H112 | 166.8° | 180.0° |
| C72 | C71 | H111 | H112 | 119.3° | 120.0° |
| C71 | C72 | N18 | H113 | 120.5° | 120.1° |
| C71 | C72 | N18 | H114 | 120.5° | 119.9° |
| C71 | C72 | H113 | H114 | 118.4° | 120.0° |
| C71 | C72 | N18 | C73 | 179.9° | 180.0° |
| C71 | C72 | N18 | H115 | 0.0° | 0.1° |
| H111 | C71 | C72 | N18 | 79.3° | 59.9° |
| H111 | C71 | C72 | H113 | 160.2° | 180.0° |
| H111 | C71 | C72 | H114 | 41.3° | 60.0° |
| H112 | C71 | C72 | N18 | 40.3° | 60.1° |
| H112 | C71 | C72 | H113 | 80.2° | 60.0° |
| H112 | C71 | C72 | H114 | 160.8° | NaN° |
| N18 | C72 | H113 | H114 | 118.4° | 120.0° |
| C72 | N18 | C73 | H115 | 180.0° | 179.9° |
| C72 | N18 | C73 | N19 | 0.2° | 0.0° |
| C72 | N18 | C73 | N20 | 179.9° | 179.9° |
| H113 | C72 | N18 | C73 | 59.4° | 60.0° |
| H113 | C72 | N18 | H115 | 120.6° | 120.0° |
| H114 | C72 | N18 | C73 | 59.5° | 60.0° |
| H114 | C72 | N18 | H115 | 120.5° | 120.0° |
| N18 | C73 | N19 | N20 | 179.9° | 179.9° |
| N18 | C73 | N19 | H116 | 179.9° | 0.1° |
| N18 | C73 | N19 | H117 | 0.1° | 180.0° |
| N18 | C73 | N20 | H118 | 179.9° | 0.1° |
| N18 | C73 | N20 | H119 | 0.1° | 180.0° |
| H115 | N18 | C73 | N19 | 179.8° | 179.9° |
| H115 | N18 | C73 | N20 | 0.1° | 0.0° |
| C73 | N19 | H116 | H117 | 180.0° | 179.9° |
| N19 | C73 | N20 | H118 | 0.0° | 180.0° |
| N19 | C73 | N20 | H119 | 180.0° | 0.1° |
| N20 | C73 | N19 | H116 | 0.0° | 180.0° |
| N20 | C73 | N19 | H117 | 180.0° | 0.1° |
| C73 | N20 | H118 | H119 | 180.0° | 179.9° |
