PRD_000281
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | O1 | doub | 1.21Å | 1.23Å | |
| C1 | C2 | sing | 1.51Å | 1.51Å | |
| C2 | H1 | sing | 1.09Å | 1.10Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C2 | H3 | sing | 1.09Å | 1.10Å | |
| N1 | C3 | sing | 1.47Å | 1.48Å | |
| N1 | H4 | sing | 0.97Å | 1.00Å | |
| C3 | C4 | sing | 1.51Å | 1.55Å | |
| C3 | C5 | sing | 1.53Å | 1.54Å | |
| C3 | H5 | sing | 1.09Å | 1.10Å | |
| C4 | O2 | doub | 1.21Å | 1.24Å | |
| C5 | C6 | sing | 1.53Å | 1.53Å | |
| C5 | H6 | sing | 1.09Å | 1.10Å | |
| C5 | H7 | sing | 1.09Å | 1.10Å | |
| C6 | C7 | sing | 1.53Å | 1.53Å | |
| C6 | H8 | sing | 1.09Å | 1.10Å | |
| C6 | H9 | sing | 1.09Å | 1.10Å | |
| C7 | C8 | sing | 1.53Å | 1.53Å | |
| C7 | H10 | sing | 1.09Å | 1.10Å | |
| C7 | H11 | sing | 1.09Å | 1.10Å | |
| C8 | N2 | sing | 1.47Å | 1.50Å | |
| C8 | H12 | sing | 1.09Å | 1.10Å | |
| C8 | H13 | sing | 1.09Å | 1.10Å | |
| N2 | H14 | sing | 1.01Å | 1.00Å | |
| N2 | H15 | sing | 1.01Å | 1.00Å | |
| N3 | C9 | sing | 1.47Å | 1.47Å | |
| N3 | H16 | sing | 0.97Å | 1.00Å | |
| C9 | C10 | sing | 1.51Å | 1.52Å | |
| C9 | H17 | sing | 1.09Å | 1.10Å | |
| C9 | H18 | sing | 1.09Å | 1.10Å | |
| C10 | O3 | doub | 1.21Å | 1.23Å | |
| N4 | C11 | sing | 1.46Å | 1.47Å | |
| N4 | H19 | sing | 0.97Å | 1.00Å | |
| C11 | C12 | sing | 1.53Å | 1.53Å | |
| C11 | C13 | sing | 1.51Å | 1.51Å | |
| C11 | H20 | sing | 1.09Å | 1.10Å | |
| C12 | H21 | sing | 1.09Å | 1.10Å | |
| C12 | H22 | sing | 1.09Å | 1.10Å | |
| C12 | H23 | sing | 1.09Å | 1.10Å | |
| C13 | O4 | doub | 1.21Å | 1.25Å | |
| N5 | C14 | sing | 1.46Å | 1.46Å | |
| N5 | H24 | sing | 0.97Å | 1.00Å | |
| C14 | C15 | sing | 1.51Å | 1.52Å | |
| C14 | C16 | sing | 1.53Å | 1.53Å | |
| C14 | H25 | sing | 1.09Å | 1.10Å | |
| C15 | O5 | doub | 1.21Å | 1.22Å | |
| C16 | S1 | sing | 1.81Å | 1.80Å | |
| C16 | H26 | sing | 1.09Å | 1.10Å | |
| C16 | H27 | sing | 1.09Å | 1.10Å | |
| N6 | C17 | sing | 1.48Å | 1.46Å | |
| N6 | H28 | sing | 0.97Å | 1.00Å | |
| C17 | C18 | sing | 1.51Å | 1.52Å | |
| C17 | C19 | sing | 1.53Å | 1.53Å | |
| C17 | H29 | sing | 1.09Å | 1.10Å | |
| C18 | O6 | doub | 1.21Å | 1.24Å | |
| C19 | C20 | sing | 1.51Å | 1.53Å | |
| C19 | H30 | sing | 1.09Å | 1.10Å | |
| C19 | H31 | sing | 1.09Å | 1.10Å | |
| C20 | O7 | doub | 1.21Å | 1.25Å | |
| C20 | O8 | sing | 1.34Å | 1.24Å | |
| O8 | H32 | sing | 0.97Å | 0.95Å | |
| N7 | C21 | sing | 1.47Å | 1.49Å | |
| N7 | H33 | sing | 0.97Å | 1.00Å | |
| C21 | C22 | sing | 1.51Å | 1.52Å | |
| C21 | C23 | sing | 1.53Å | 1.53Å | |
| C21 | H34 | sing | 1.09Å | 1.10Å | |
| C22 | O9 | doub | 1.21Å | 1.23Å | |
| C23 | C24 | sing | 1.51Å | 1.49Å | |
| C23 | H35 | sing | 1.09Å | 1.10Å | |
| C23 | H36 | sing | 1.09Å | 1.10Å | |
| C24 | C25 | doub | 1.38Å | 1.40Å | Aromatic |
| C24 | C26 | sing | 1.38Å | 1.40Å | Aromatic |
| C25 | C27 | sing | 1.38Å | 1.38Å | Aromatic |
| C25 | H37 | sing | 1.08Å | 1.08Å | |
| C26 | C28 | doub | 1.38Å | 1.39Å | Aromatic |
| C26 | H38 | sing | 1.08Å | 1.08Å | |
| C27 | C29 | doub | 1.39Å | 1.38Å | Aromatic |
| C27 | H39 | sing | 1.08Å | 1.08Å | |
| C28 | C29 | sing | 1.39Å | 1.39Å | Aromatic |
| C28 | H40 | sing | 1.08Å | 1.08Å | |
| C29 | O10 | sing | 1.36Å | 1.37Å | |
| O10 | H41 | sing | 0.97Å | 0.95Å | |
| N8 | C30 | sing | 1.47Å | 1.47Å | |
| N8 | C33 | sing | 1.47Å | 1.48Å | |
| C30 | C31 | sing | 1.53Å | 1.52Å | |
| C30 | C34 | sing | 1.51Å | 1.54Å | |
| C30 | H42 | sing | 1.09Å | 1.10Å | |
| C31 | C32 | sing | 1.54Å | 1.51Å | |
| C31 | H43 | sing | 1.09Å | 1.10Å | |
| C31 | H44 | sing | 1.09Å | 1.10Å | |
| C32 | C33 | sing | 1.53Å | 1.47Å | |
| C32 | H45 | sing | 1.09Å | 1.10Å | |
| C32 | H46 | sing | 1.09Å | 1.10Å | |
| C33 | H47 | sing | 1.09Å | 1.10Å | |
| C33 | H48 | sing | 1.09Å | 1.10Å | |
| C34 | O11 | doub | 1.21Å | 1.24Å | |
| N9 | C35 | sing | 1.48Å | 1.47Å | |
| N9 | H49 | sing | 0.97Å | 1.00Å | |
| C35 | C36 | sing | 1.51Å | 1.53Å | |
| C35 | C37 | sing | 1.53Å | 1.54Å | |
| C35 | H50 | sing | 1.09Å | 1.10Å | |
| C36 | O12 | doub | 1.21Å | 1.25Å | |
| C37 | C38 | sing | 1.53Å | 1.54Å | |
| C37 | H51 | sing | 1.09Å | 1.10Å | |
| C37 | H52 | sing | 1.09Å | 1.10Å | |
| C38 | C39 | sing | 1.51Å | 1.54Å | |
| C38 | H53 | sing | 1.09Å | 1.10Å | |
| C38 | H54 | sing | 1.09Å | 1.10Å | |
| C39 | O13 | doub | 1.21Å | 1.26Å | |
| C39 | O14 | sing | 1.34Å | 1.26Å | |
| O14 | H55 | sing | 0.97Å | 0.95Å | |
| N10 | C40 | sing | 1.48Å | 1.49Å | |
| N10 | H56 | sing | 0.97Å | 1.00Å | |
| C40 | C41 | sing | 1.53Å | 1.53Å | |
| C40 | C50 | sing | 1.51Å | 1.53Å | |
| C40 | H57 | sing | 1.09Å | 1.10Å | |
| C41 | C42 | sing | 1.51Å | 1.51Å | |
| C41 | H58 | sing | 1.09Å | 1.10Å | |
| C41 | H59 | sing | 1.09Å | 1.10Å | |
| C42 | C43 | doub | 1.34Å | 1.36Å | Aromatic |
| C42 | C49 | sing | 1.46Å | 1.43Å | Aromatic |
| C43 | N11 | sing | 1.37Å | 1.38Å | Aromatic |
| C43 | H60 | sing | 1.08Å | 1.08Å | |
| N11 | C44 | sing | 1.38Å | 1.37Å | Aromatic |
| N11 | H61 | sing | 0.97Å | 1.00Å | |
| C44 | C45 | doub | 1.39Å | 1.39Å | Aromatic |
| C44 | C49 | sing | 1.41Å | 1.42Å | Aromatic |
| C45 | C46 | sing | 1.38Å | 1.39Å | Aromatic |
| C45 | H62 | sing | 1.08Å | 1.08Å | |
| C46 | C47 | doub | 1.39Å | 1.40Å | Aromatic |
| C46 | H63 | sing | 1.08Å | 1.08Å | |
| C47 | C48 | sing | 1.37Å | 1.40Å | Aromatic |
| C47 | H64 | sing | 1.08Å | 1.08Å | |
| C48 | C49 | doub | 1.40Å | 1.40Å | Aromatic |
| C48 | H65 | sing | 1.08Å | 1.08Å | |
| C50 | O15 | doub | 1.21Å | 1.27Å | |
| N12 | C51 | sing | 1.48Å | 1.49Å | |
| N12 | H66 | sing | 0.97Å | 1.00Å | |
| C51 | C52 | sing | 1.51Å | 1.53Å | |
| C51 | C53 | sing | 1.53Å | 1.54Å | |
| C51 | H67 | sing | 1.09Å | 1.10Å | |
| C52 | O16 | doub | 1.21Å | 1.25Å | |
| C53 | C54 | sing | 1.53Å | 1.54Å | |
| C53 | H68 | sing | 1.09Å | 1.10Å | |
| C53 | H69 | sing | 1.09Å | 1.10Å | |
| C54 | C55 | sing | 1.51Å | 1.53Å | |
| C54 | H70 | sing | 1.09Å | 1.10Å | |
| C54 | H71 | sing | 1.09Å | 1.10Å | |
| C55 | O17 | doub | 1.21Å | 1.23Å | |
| C55 | N13 | sing | 1.35Å | 1.33Å | |
| N13 | H72 | sing | 0.97Å | 1.00Å | |
| N13 | H73 | sing | 0.97Å | 1.00Å | |
| N14 | C56 | sing | 1.48Å | 1.49Å | |
| N14 | H74 | sing | 0.97Å | 1.00Å | |
| C56 | C57 | sing | 1.53Å | 1.52Å | |
| C56 | C66 | sing | 1.51Å | 1.54Å | |
| C56 | H75 | sing | 1.09Å | 1.10Å | |
| C57 | C58 | sing | 1.51Å | 1.51Å | |
| C57 | H76 | sing | 1.09Å | 1.10Å | |
| C57 | H77 | sing | 1.09Å | 1.10Å | |
| C58 | C59 | doub | 1.34Å | 1.37Å | Aromatic |
| C58 | C65 | sing | 1.46Å | 1.43Å | Aromatic |
| C59 | N15 | sing | 1.37Å | 1.38Å | Aromatic |
| C59 | H78 | sing | 1.08Å | 1.08Å | |
| N15 | C60 | sing | 1.38Å | 1.37Å | Aromatic |
| N15 | H79 | sing | 0.97Å | 1.00Å | |
| C60 | C61 | doub | 1.39Å | 1.39Å | Aromatic |
| C60 | C65 | sing | 1.41Å | 1.42Å | Aromatic |
| C61 | C62 | sing | 1.38Å | 1.38Å | Aromatic |
| C61 | H80 | sing | 1.08Å | 1.08Å | |
| C62 | C63 | doub | 1.39Å | 1.43Å | Aromatic |
| C62 | H81 | sing | 1.08Å | 1.08Å | |
| C63 | C64 | sing | 1.37Å | 1.38Å | Aromatic |
| C63 | H82 | sing | 1.08Å | 1.08Å | |
| C64 | C65 | doub | 1.40Å | 1.42Å | Aromatic |
| C64 | H83 | sing | 1.08Å | 1.08Å | |
| C66 | O18 | doub | 1.21Å | 1.23Å | |
| N16 | C67 | sing | 1.48Å | 1.47Å | |
| N16 | H84 | sing | 0.97Å | 1.00Å | |
| C67 | C68 | sing | 1.53Å | 1.53Å | |
| C67 | C72 | sing | 1.51Å | 1.53Å | |
| C67 | H85 | sing | 1.09Å | 1.10Å | |
| C68 | C69 | sing | 1.53Å | 1.54Å | |
| C68 | H86 | sing | 1.09Å | 1.10Å | |
| C68 | H87 | sing | 1.09Å | 1.10Å | |
| C69 | C70 | sing | 1.53Å | 1.56Å | |
| C69 | C71 | sing | 1.53Å | 1.54Å | |
| C69 | H88 | sing | 1.09Å | 1.10Å | |
| C70 | H89 | sing | 1.09Å | 1.10Å | |
| C70 | H90 | sing | 1.09Å | 1.10Å | |
| C70 | H91 | sing | 1.09Å | 1.10Å | |
| C71 | H92 | sing | 1.09Å | 1.10Å | |
| C71 | H93 | sing | 1.09Å | 1.10Å | |
| C71 | H94 | sing | 1.09Å | 1.10Å | |
| C72 | O19 | doub | 1.21Å | 1.23Å | |
| N17 | C73 | sing | 1.48Å | 1.47Å | |
| N17 | H95 | sing | 0.97Å | 1.00Å | |
| C73 | C74 | sing | 1.51Å | 1.54Å | |
| C73 | C75 | sing | 1.53Å | 1.53Å | |
| C73 | H96 | sing | 1.09Å | 1.10Å | |
| C74 | O20 | doub | 1.21Å | 1.25Å | |
| C75 | S2 | sing | 1.82Å | 1.78Å | |
| C75 | H97 | sing | 1.09Å | 1.10Å | |
| C75 | H98 | sing | 1.09Å | 1.10Å | |
| N18 | C76 | sing | 1.46Å | 1.47Å | |
| N18 | H99 | sing | 0.97Å | 1.00Å | |
| C76 | C77 | sing | 1.53Å | 1.53Å | |
| C76 | C78 | sing | 1.51Å | 1.53Å | |
| C76 | H100 | sing | 1.09Å | 1.10Å | |
| C77 | H101 | sing | 1.09Å | 1.10Å | |
| C77 | H102 | sing | 1.09Å | 1.10Å | |
| C77 | H103 | sing | 1.09Å | 1.10Å | |
| C78 | O21 | doub | 1.21Å | 1.24Å | |
| N19 | C79 | sing | 1.47Å | 1.47Å | |
| N19 | H104 | sing | 0.97Å | 1.00Å | |
| C79 | C80 | sing | 1.53Å | 1.51Å | |
| C79 | C81 | sing | 1.51Å | 1.53Å | |
| C79 | H105 | sing | 1.09Å | 1.10Å | |
| C80 | H106 | sing | 1.09Å | 1.10Å | |
| C80 | H107 | sing | 1.09Å | 1.10Å | |
| C80 | H108 | sing | 1.09Å | 1.10Å | |
| C81 | O22 | doub | 1.21Å | 1.25Å | |
| N20 | H109 | sing | 0.97Å | 1.00Å | |
| N20 | H110 | sing | 0.97Å | 1.00Å | |
| C1 | N1 | sing | 1.35Å | 1.34Å | |
| C4 | N3 | sing | 1.35Å | 1.33Å | |
| C10 | N4 | sing | 1.35Å | 1.33Å | |
| C13 | N5 | sing | 1.35Å | 1.33Å | |
| C15 | N6 | sing | 1.36Å | 1.33Å | |
| S1 | S2 | sing | 2.05Å | 2.03Å | |
| C18 | N7 | sing | 1.36Å | 1.33Å | |
| C22 | N8 | sing | 1.35Å | 1.35Å | |
| C34 | N9 | sing | 1.36Å | 1.33Å | |
| C36 | N10 | sing | 1.37Å | 1.34Å | |
| C50 | N12 | sing | 1.36Å | 1.34Å | |
| C52 | N14 | sing | 1.36Å | 1.34Å | |
| C66 | N16 | sing | 1.36Å | 1.33Å | |
| C72 | N17 | sing | 1.36Å | 1.33Å | |
| C74 | N18 | sing | 1.35Å | 1.34Å | |
| C78 | N19 | sing | 1.35Å | 1.34Å | |
| C81 | N20 | sing | 1.35Å | 1.24Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C1 | C2 | 121.3° | 120.0° |
| O1 | C1 | N1 | 122.1° | 120.0° |
| C1 | C2 | H1 | 109.5° | 109.5° |
| C1 | C2 | H2 | 109.5° | 109.5° |
| C1 | C2 | H3 | 109.4° | 109.5° |
| C2 | C1 | N1 | 116.5° | 120.0° |
| H1 | C2 | H2 | 109.4° | 109.5° |
| H1 | C2 | H3 | 109.5° | 109.5° |
| H2 | C2 | H3 | 109.5° | 109.5° |
| C3 | N1 | H4 | 118.8° | 120.0° |
| N1 | C3 | C4 | 115.2° | 109.5° |
| N1 | C3 | C5 | 110.2° | 109.4° |
| N1 | C3 | H5 | 106.6° | 109.4° |
| C3 | N1 | C1 | 122.4° | 120.0° |
| H4 | N1 | C1 | 118.8° | 120.0° |
| C4 | C3 | C5 | 112.5° | 109.5° |
| C4 | C3 | H5 | 105.8° | 109.5° |
| C3 | C4 | O2 | 120.4° | 120.0° |
| C3 | C4 | N3 | 117.2° | 120.0° |
| C5 | C3 | H5 | 105.9° | 109.5° |
| C3 | C5 | C6 | 117.2° | 109.5° |
| C3 | C5 | H6 | 107.5° | 109.4° |
| C3 | C5 | H7 | 107.5° | 109.5° |
| O2 | C4 | N3 | 122.5° | 120.1° |
| C6 | C5 | H6 | 107.5° | 109.5° |
| C6 | C5 | H7 | 107.5° | 109.5° |
| C5 | C6 | C7 | 111.9° | 109.5° |
| C5 | C6 | H8 | 108.9° | 109.5° |
| C5 | C6 | H9 | 108.8° | 109.5° |
| H6 | C5 | H7 | 109.5° | 109.5° |
| C7 | C6 | H8 | 108.8° | 109.5° |
| C7 | C6 | H9 | 108.9° | 109.4° |
| C6 | C7 | C8 | 111.9° | 109.5° |
| C6 | C7 | H10 | 108.9° | 109.5° |
| C6 | C7 | H11 | 108.8° | 109.4° |
| H8 | C6 | H9 | 109.5° | 109.5° |
| C8 | C7 | H10 | 108.9° | 109.5° |
| C8 | C7 | H11 | 108.9° | 109.5° |
| C7 | C8 | N2 | 112.5° | 109.5° |
| C7 | C8 | H12 | 108.7° | 109.5° |
| C7 | C8 | H13 | 108.7° | 109.4° |
| H10 | C7 | H11 | 109.5° | 109.5° |
| N2 | C8 | H12 | 108.7° | 109.5° |
| N2 | C8 | H13 | 108.7° | 109.5° |
| C8 | N2 | H14 | 109.5° | 111.0° |
| C8 | N2 | H15 | 109.5° | 111.0° |
| H12 | C8 | H13 | 109.5° | 109.5° |
| H14 | N2 | H15 | 109.4° | 111.0° |
| C9 | N3 | H16 | 119.0° | 119.9° |
| N3 | C9 | C10 | 113.9° | 109.5° |
| N3 | C9 | H17 | 108.4° | 109.4° |
| N3 | C9 | H18 | 108.4° | 109.5° |
| C9 | N3 | C4 | 122.1° | 120.0° |
| H16 | N3 | C4 | 118.9° | 120.1° |
| C10 | C9 | H17 | 108.4° | 109.5° |
| C10 | C9 | H18 | 108.4° | 109.5° |
| C9 | C10 | O3 | 121.0° | 120.0° |
| C9 | C10 | N4 | 115.7° | 120.0° |
| H17 | C9 | H18 | 109.4° | 109.5° |
| O3 | C10 | N4 | 123.3° | 120.0° |
| C11 | N4 | H19 | 117.8° | 120.0° |
| N4 | C11 | C12 | 110.1° | 109.5° |
| N4 | C11 | C13 | 114.3° | 109.5° |
| N4 | C11 | H20 | 107.8° | 109.5° |
| C11 | N4 | C10 | 124.4° | 120.0° |
| H19 | N4 | C10 | 117.8° | 120.0° |
| C12 | C11 | C13 | 109.9° | 109.4° |
| C12 | C11 | H20 | 107.2° | 109.4° |
| C11 | C12 | H21 | 109.5° | 109.5° |
| C11 | C12 | H22 | 109.5° | 109.5° |
| C11 | C12 | H23 | 109.5° | 109.5° |
| C13 | C11 | H20 | 107.3° | 109.5° |
| C11 | C13 | O4 | 121.0° | 120.0° |
| C11 | C13 | N5 | 115.3° | 120.0° |
| H21 | C12 | H22 | 109.5° | 109.4° |
| H21 | C12 | H23 | 109.5° | 109.5° |
| H22 | C12 | H23 | 109.5° | 109.5° |
| O4 | C13 | N5 | 123.6° | 120.0° |
| C14 | N5 | H24 | 119.1° | 120.0° |
| N5 | C14 | C15 | 113.2° | 109.5° |
| N5 | C14 | C16 | 110.3° | 109.5° |
| N5 | C14 | H25 | 107.9° | 109.5° |
| C14 | N5 | C13 | 121.9° | 120.0° |
| H24 | N5 | C13 | 119.1° | 120.0° |
| C15 | C14 | C16 | 110.7° | 109.5° |
| C15 | C14 | H25 | 107.3° | 109.4° |
| C14 | C15 | O5 | 119.9° | 120.5° |
| C14 | C15 | N6 | 116.8° | 119.0° |
| C16 | C14 | H25 | 107.1° | 109.5° |
| C14 | C16 | S1 | 109.5° | 109.5° |
| C14 | C16 | H26 | 109.5° | 109.5° |
| C14 | C16 | H27 | 109.5° | 109.4° |
| O5 | C15 | N6 | 123.3° | 120.5° |
| S1 | C16 | H26 | 109.5° | 109.5° |
| S1 | C16 | H27 | 109.5° | 109.4° |
| C16 | S1 | S2 | 115.2° | 102.9° |
| H26 | C16 | H27 | 109.5° | 109.5° |
| C17 | N6 | H28 | 119.2° | 122.1° |
| N6 | C17 | C18 | 111.4° | 108.9° |
| N6 | C17 | C19 | 110.0° | 109.6° |
| N6 | C17 | H29 | 109.1° | 109.6° |
| C17 | N6 | C15 | 121.6° | 115.7° |
| H28 | N6 | C15 | 119.2° | 122.2° |
| C18 | C17 | C19 | 109.8° | 109.6° |
| C18 | C17 | H29 | 108.3° | 109.6° |
| C17 | C18 | O6 | 120.2° | 120.5° |
| C17 | C18 | N7 | 117.3° | 119.1° |
| C19 | C17 | H29 | 108.1° | 109.6° |
| C17 | C19 | C20 | 112.7° | 109.5° |
| C17 | C19 | H30 | 108.7° | 109.4° |
| C17 | C19 | H31 | 108.7° | 109.5° |
| O6 | C18 | N7 | 122.4° | 120.4° |
| C20 | C19 | H30 | 108.7° | 109.5° |
| C20 | C19 | H31 | 108.7° | 109.5° |
| C19 | C20 | O7 | 119.6° | 120.0° |
| C19 | C20 | O8 | 118.1° | 120.0° |
| H30 | C19 | H31 | 109.4° | 109.5° |
| O7 | C20 | O8 | 122.3° | 120.0° |
| C20 | O8 | H32 | 109.5° | 117.0° |
| C21 | N7 | H33 | 119.5° | 121.7° |
| N7 | C21 | C22 | 113.3° | 109.0° |
| N7 | C21 | C23 | 110.3° | 109.6° |
| N7 | C21 | H34 | 108.5° | 109.5° |
| C21 | N7 | C18 | 121.1° | 116.6° |
| H33 | N7 | C18 | 119.5° | 121.7° |
| C22 | C21 | C23 | 108.4° | 109.6° |
| C22 | C21 | H34 | 108.2° | 109.5° |
| C21 | C22 | O9 | 120.1° | 120.1° |
| C21 | C22 | N8 | 117.2° | 119.8° |
| C23 | C21 | H34 | 108.1° | 109.6° |
| C21 | C23 | C24 | 113.2° | 109.5° |
| C21 | C23 | H35 | 108.5° | 109.5° |
| C21 | C23 | H36 | 108.5° | 109.5° |
| O9 | C22 | N8 | 122.6° | 120.1° |
| C24 | C23 | H35 | 108.5° | 109.4° |
| C24 | C23 | H36 | 108.5° | 109.5° |
| C23 | C24 | C25 | 120.4° | 119.9° |
| C23 | C24 | C26 | 121.0° | 120.0° |
| H35 | C23 | H36 | 109.5° | 109.4° |
| C25 | C24 | C26 | 118.7° | 120.1° |
| C24 | C25 | C27 | 120.9° | 120.0° |
| C24 | C25 | H37 | 119.5° | 120.0° |
| C24 | C26 | C28 | 120.9° | 120.1° |
| C24 | C26 | H38 | 119.5° | 120.0° |
| C27 | C25 | H37 | 119.6° | 120.0° |
| C25 | C27 | C29 | 119.5° | 119.9° |
| C25 | C27 | H39 | 120.3° | 120.1° |
| C28 | C26 | H38 | 119.6° | 120.0° |
| C26 | C28 | C29 | 119.3° | 119.9° |
| C26 | C28 | H40 | 120.3° | 120.0° |
| C29 | C27 | H39 | 120.2° | 120.1° |
| C27 | C29 | C28 | 120.7° | 119.9° |
| C27 | C29 | O10 | 119.6° | 120.0° |
| C29 | C28 | H40 | 120.4° | 120.0° |
| C28 | C29 | O10 | 119.6° | 120.1° |
| C29 | O10 | H41 | 109.5° | 114.0° |
| C30 | N8 | C33 | 112.0° | 109.0° |
| N8 | C30 | C31 | 103.5° | 107.7° |
| N8 | C30 | C34 | 113.1° | 109.8° |
| N8 | C30 | H42 | 110.3° | 109.9° |
| C30 | N8 | C22 | 119.8° | 125.6° |
| N8 | C33 | C32 | 102.2° | 107.7° |
| N8 | C33 | H47 | 111.3° | 109.8° |
| N8 | C33 | H48 | 111.3° | 109.8° |
| C33 | N8 | C22 | 128.3° | 125.4° |
| C31 | C30 | C34 | 110.8° | 109.6° |
| C31 | C30 | H42 | 109.6° | 109.8° |
| C30 | C31 | C32 | 105.2° | 106.1° |
| C30 | C31 | H43 | 110.5° | 110.1° |
| C30 | C31 | H44 | 110.5° | 110.2° |
| C34 | C30 | H42 | 109.4° | 109.9° |
| C30 | C34 | O11 | 119.7° | 120.3° |
| C30 | C34 | N9 | 117.2° | 119.3° |
| C32 | C31 | H43 | 110.5° | 110.1° |
| C32 | C31 | H44 | 110.6° | 110.2° |
| C31 | C32 | C33 | 106.6° | 106.1° |
| C31 | C32 | H45 | 110.2° | 110.1° |
| C31 | C32 | H46 | 110.2° | 110.2° |
| H43 | C31 | H44 | 109.5° | 110.1° |
| C33 | C32 | H45 | 110.2° | 110.1° |
| C33 | C32 | H46 | 110.2° | 110.1° |
| C32 | C33 | H47 | 111.3° | 109.8° |
| C32 | C33 | H48 | 111.3° | 109.8° |
| H45 | C32 | H46 | 109.5° | 110.1° |
| H47 | C33 | H48 | 109.4° | 109.8° |
| O11 | C34 | N9 | 123.0° | 120.3° |
| C35 | N9 | H49 | 119.0° | 121.7° |
| N9 | C35 | C36 | 113.8° | 109.2° |
| N9 | C35 | C37 | 110.8° | 109.5° |
| N9 | C35 | H50 | 107.7° | 109.5° |
| C35 | N9 | C34 | 122.1° | 116.6° |
| H49 | N9 | C34 | 119.0° | 121.7° |
| C36 | C35 | C37 | 110.2° | 109.5° |
| C36 | C35 | H50 | 107.1° | 109.5° |
| C35 | C36 | O12 | 119.8° | 120.7° |
| C35 | C36 | N10 | 116.6° | 118.5° |
| C37 | C35 | H50 | 106.9° | 109.5° |
| C35 | C37 | C38 | 114.0° | 109.5° |
| C35 | C37 | H51 | 108.3° | 109.4° |
| C35 | C37 | H52 | 108.3° | 109.5° |
| O12 | C36 | N10 | 123.5° | 120.8° |
| C38 | C37 | H51 | 108.3° | 109.5° |
| C38 | C37 | H52 | 108.3° | 109.5° |
| C37 | C38 | C39 | 114.9° | 109.5° |
| C37 | C38 | H53 | 108.1° | 109.4° |
| C37 | C38 | H54 | 108.1° | 109.5° |
| H51 | C37 | H52 | 109.5° | 109.4° |
| C39 | C38 | H53 | 108.1° | 109.5° |
| C39 | C38 | H54 | 108.1° | 109.5° |
| C38 | C39 | O13 | 120.8° | 120.0° |
| C38 | C39 | O14 | 116.6° | 120.0° |
| H53 | C38 | H54 | 109.5° | 109.5° |
| O13 | C39 | O14 | 122.6° | 120.0° |
| C39 | O14 | H55 | 109.5° | 117.0° |
| C40 | N10 | H56 | 119.0° | 122.0° |
| N10 | C40 | C41 | 110.9° | 109.6° |
| N10 | C40 | C50 | 111.8° | 108.5° |
| N10 | C40 | H57 | 108.5° | 109.6° |
| C40 | N10 | C36 | 122.0° | 116.0° |
| H56 | N10 | C36 | 119.0° | 122.0° |
| C41 | C40 | C50 | 109.7° | 109.6° |
| C41 | C40 | H57 | 108.0° | 109.7° |
| C40 | C41 | C42 | 114.5° | 109.5° |
| C40 | C41 | H58 | 108.2° | 109.4° |
| C40 | C41 | H59 | 108.2° | 109.5° |
| C50 | C40 | H57 | 107.9° | 109.8° |
| C40 | C50 | O15 | 120.7° | 120.3° |
| C40 | C50 | N12 | 115.5° | 119.3° |
| C42 | C41 | H58 | 108.2° | 109.4° |
| C42 | C41 | H59 | 108.2° | 109.5° |
| C41 | C42 | C43 | 126.7° | 126.5° |
| C41 | C42 | C49 | 127.2° | 126.5° |
| H58 | C41 | H59 | 109.5° | 109.4° |
| C43 | C42 | C49 | 106.1° | 107.0° |
| C42 | C43 | N11 | 110.7° | 110.0° |
| C42 | C43 | H60 | 124.7° | 125.0° |
| C42 | C49 | C44 | 107.2° | 106.0° |
| C42 | C49 | C48 | 134.1° | 134.1° |
| N11 | C43 | H60 | 124.7° | 125.0° |
| C43 | N11 | C44 | 108.6° | 109.8° |
| C43 | N11 | H61 | 125.7° | 125.1° |
| C44 | N11 | H61 | 125.7° | 125.1° |
| N11 | C44 | C45 | 130.1° | 133.5° |
| N11 | C44 | C49 | 107.4° | 107.2° |
| C45 | C44 | C49 | 122.5° | 119.3° |
| C44 | C45 | C46 | 117.9° | 119.8° |
| C44 | C45 | H62 | 121.1° | 120.1° |
| C44 | C49 | C48 | 118.7° | 119.9° |
| C46 | C45 | H62 | 121.1° | 120.1° |
| C45 | C46 | C47 | 121.0° | 120.7° |
| C45 | C46 | H63 | 119.5° | 119.6° |
| C47 | C46 | H63 | 119.5° | 119.7° |
| C46 | C47 | C48 | 120.8° | 120.5° |
| C46 | C47 | H64 | 119.6° | 119.7° |
| C48 | C47 | H64 | 119.6° | 119.8° |
| C47 | C48 | C49 | 119.2° | 119.8° |
| C47 | C48 | H65 | 120.4° | 120.1° |
| C49 | C48 | H65 | 120.4° | 120.1° |
| O15 | C50 | N12 | 123.8° | 120.4° |
| C51 | N12 | H66 | 119.3° | 121.7° |
| N12 | C51 | C52 | 112.9° | 108.9° |
| N12 | C51 | C53 | 112.2° | 109.6° |
| N12 | C51 | H67 | 106.9° | 109.6° |
| C51 | N12 | C50 | 121.4° | 116.6° |
| H66 | N12 | C50 | 119.3° | 121.7° |
| C52 | C51 | C53 | 111.7° | 109.6° |
| C52 | C51 | H67 | 106.3° | 109.5° |
| C51 | C52 | O16 | 119.5° | 120.4° |
| C51 | C52 | N14 | 117.8° | 119.1° |
| C53 | C51 | H67 | 106.3° | 109.7° |
| C51 | C53 | C54 | 114.0° | 109.4° |
| C51 | C53 | H68 | 108.3° | 109.5° |
| C51 | C53 | H69 | 108.3° | 109.5° |
| O16 | C52 | N14 | 122.7° | 120.5° |
| C54 | C53 | H68 | 108.3° | 109.5° |
| C54 | C53 | H69 | 108.3° | 109.5° |
| C53 | C54 | C55 | 112.8° | 109.5° |
| C53 | C54 | H70 | 108.6° | 109.5° |
| C53 | C54 | H71 | 108.6° | 109.5° |
| H68 | C53 | H69 | 109.5° | 109.5° |
| C55 | C54 | H70 | 108.6° | 109.5° |
| C55 | C54 | H71 | 108.6° | 109.4° |
| C54 | C55 | O17 | 121.1° | 120.0° |
| C54 | C55 | N13 | 116.4° | 120.0° |
| H70 | C54 | H71 | 109.5° | 109.5° |
| O17 | C55 | N13 | 122.5° | 120.1° |
| C55 | N13 | H72 | 120.0° | 120.1° |
| C55 | N13 | H73 | 120.0° | 119.9° |
| H72 | N13 | H73 | 120.0° | 120.0° |
| C56 | N14 | H74 | 119.9° | 122.1° |
| N14 | C56 | C57 | 112.1° | 109.6° |
| N14 | C56 | C66 | 112.8° | 108.9° |
| N14 | C56 | H75 | 108.0° | 109.6° |
| C56 | N14 | C52 | 120.2° | 115.8° |
| H74 | N14 | C52 | 119.9° | 122.1° |
| C57 | C56 | C66 | 108.9° | 109.6° |
| C57 | C56 | H75 | 107.5° | 109.6° |
| C56 | C57 | C58 | 112.7° | 109.5° |
| C56 | C57 | H76 | 108.6° | 109.4° |
| C56 | C57 | H77 | 108.6° | 109.4° |
| C66 | C56 | H75 | 107.3° | 109.7° |
| C56 | C66 | O18 | 120.6° | 120.4° |
| C56 | C66 | N16 | 117.1° | 119.1° |
| C58 | C57 | H76 | 108.6° | 109.5° |
| C58 | C57 | H77 | 108.6° | 109.5° |
| C57 | C58 | C59 | 127.4° | 126.5° |
| C57 | C58 | C65 | 126.1° | 126.5° |
| H76 | C57 | H77 | 109.5° | 109.5° |
| C59 | C58 | C65 | 106.5° | 107.0° |
| C58 | C59 | N15 | 109.9° | 109.9° |
| C58 | C59 | H78 | 125.0° | 125.1° |
| C58 | C65 | C60 | 107.0° | 106.1° |
| C58 | C65 | C64 | 133.8° | 134.0° |
| N15 | C59 | H78 | 125.1° | 125.0° |
| C59 | N15 | C60 | 109.2° | 109.9° |
| C59 | N15 | H79 | 125.4° | 125.1° |
| C60 | N15 | H79 | 125.4° | 125.0° |
| N15 | C60 | C61 | 130.2° | 133.5° |
| N15 | C60 | C65 | 107.4° | 107.1° |
| C61 | C60 | C65 | 122.4° | 119.4° |
| C60 | C61 | C62 | 117.6° | 119.8° |
| C60 | C61 | H80 | 121.2° | 120.1° |
| C60 | C65 | C64 | 119.2° | 119.9° |
| C62 | C61 | H80 | 121.2° | 120.1° |
| C61 | C62 | C63 | 121.4° | 120.7° |
| C61 | C62 | H81 | 119.3° | 119.7° |
| C63 | C62 | H81 | 119.3° | 119.7° |
| C62 | C63 | C64 | 120.8° | 120.5° |
| C62 | C63 | H82 | 119.6° | 119.8° |
| C64 | C63 | H82 | 119.6° | 119.7° |
| C63 | C64 | C65 | 118.5° | 119.8° |
| C63 | C64 | H83 | 120.8° | 120.1° |
| C65 | C64 | H83 | 120.7° | 120.1° |
| O18 | C66 | N16 | 122.3° | 120.5° |
| C67 | N16 | H84 | 119.1° | 121.7° |
| N16 | C67 | C68 | 110.1° | 109.6° |
| N16 | C67 | C72 | 110.9° | 108.9° |
| N16 | C67 | H85 | 109.1° | 109.6° |
| C67 | N16 | C66 | 121.8° | 116.7° |
| H84 | N16 | C66 | 119.2° | 121.6° |
| C68 | C67 | C72 | 110.0° | 109.5° |
| C68 | C67 | H85 | 108.3° | 109.6° |
| C67 | C68 | C69 | 114.8° | 109.5° |
| C67 | C68 | H86 | 108.2° | 109.5° |
| C67 | C68 | H87 | 108.1° | 109.5° |
| C72 | C67 | H85 | 108.3° | 109.6° |
| C67 | C72 | O19 | 120.5° | 120.5° |
| C67 | C72 | N17 | 116.5° | 118.9° |
| C69 | C68 | H86 | 108.1° | 109.4° |
| C69 | C68 | H87 | 108.2° | 109.5° |
| C68 | C69 | C70 | 113.6° | 109.5° |
| C68 | C69 | C71 | 108.7° | 109.5° |
| C68 | C69 | H88 | 108.1° | 109.5° |
| H86 | C68 | H87 | 109.4° | 109.5° |
| C70 | C69 | C71 | 110.4° | 109.5° |
| C70 | C69 | H88 | 107.8° | 109.4° |
| C69 | C70 | H89 | 109.5° | 109.4° |
| C69 | C70 | H90 | 109.5° | 109.5° |
| C69 | C70 | H91 | 109.5° | 109.4° |
| C71 | C69 | H88 | 108.1° | 109.5° |
| C69 | C71 | H92 | 109.5° | 109.5° |
| C69 | C71 | H93 | 109.5° | 109.4° |
| C69 | C71 | H94 | 109.5° | 109.5° |
| H89 | C70 | H90 | 109.5° | 109.5° |
| H89 | C70 | H91 | 109.5° | 109.5° |
| H90 | C70 | H91 | 109.5° | 109.5° |
| H92 | C71 | H93 | 109.5° | 109.5° |
| H92 | C71 | H94 | 109.5° | 109.5° |
| H93 | C71 | H94 | 109.4° | 109.5° |
| O19 | C72 | N17 | 123.1° | 120.6° |
| C73 | N17 | H95 | 118.7° | 122.1° |
| N17 | C73 | C74 | 110.5° | 109.6° |
| N17 | C73 | C75 | 107.9° | 108.6° |
| N17 | C73 | H96 | 110.0° | 109.6° |
| C73 | N17 | C72 | 122.6° | 115.8° |
| H95 | N17 | C72 | 118.7° | 122.1° |
| C74 | C73 | C75 | 110.3° | 109.6° |
| C74 | C73 | H96 | 109.0° | 109.6° |
| C73 | C74 | O20 | 121.4° | 120.0° |
| C73 | C74 | N18 | 115.5° | 120.0° |
| C75 | C73 | H96 | 109.2° | 109.7° |
| C73 | C75 | S2 | 114.1° | 109.5° |
| C73 | C75 | H97 | 108.3° | 109.5° |
| C73 | C75 | H98 | 108.3° | 109.5° |
| O20 | C74 | N18 | 123.1° | 120.0° |
| S2 | C75 | H97 | 108.3° | 109.5° |
| S2 | C75 | H98 | 108.3° | 109.5° |
| C75 | S2 | S1 | 111.5° | 103.1° |
| H97 | C75 | H98 | 109.5° | 109.5° |
| C76 | N18 | H99 | 118.8° | 120.0° |
| N18 | C76 | C77 | 109.9° | 109.5° |
| N18 | C76 | C78 | 114.6° | 109.5° |
| N18 | C76 | H100 | 107.7° | 109.5° |
| C76 | N18 | C74 | 122.3° | 120.0° |
| H99 | N18 | C74 | 118.8° | 119.9° |
| C77 | C76 | C78 | 110.4° | 109.5° |
| C77 | C76 | H100 | 107.0° | 109.5° |
| C76 | C77 | H101 | 109.5° | 109.5° |
| C76 | C77 | H102 | 109.4° | 109.5° |
| C76 | C77 | H103 | 109.5° | 109.5° |
| C78 | C76 | H100 | 106.9° | 109.5° |
| C76 | C78 | O21 | 119.6° | 120.0° |
| C76 | C78 | N19 | 117.0° | 120.0° |
| H101 | C77 | H102 | 109.5° | 109.5° |
| H101 | C77 | H103 | 109.5° | 109.5° |
| H102 | C77 | H103 | 109.5° | 109.4° |
| O21 | C78 | N19 | 123.4° | 120.0° |
| C79 | N19 | H104 | 118.1° | 120.0° |
| N19 | C79 | C80 | 109.6° | 109.5° |
| N19 | C79 | C81 | 112.0° | 109.4° |
| N19 | C79 | H105 | 108.7° | 109.5° |
| C79 | N19 | C78 | 123.9° | 120.0° |
| H104 | N19 | C78 | 118.0° | 120.0° |
| C80 | C79 | C81 | 110.1° | 109.5° |
| C80 | C79 | H105 | 108.2° | 109.5° |
| C79 | C80 | H106 | 109.5° | 109.5° |
| C79 | C80 | H107 | 109.5° | 109.5° |
| C79 | C80 | H108 | 109.5° | 109.5° |
| C81 | C79 | H105 | 108.0° | 109.5° |
| C79 | C81 | O22 | 121.3° | 120.1° |
| C79 | C81 | N20 | 120.1° | 120.0° |
| H106 | C80 | H107 | 109.5° | 109.4° |
| H106 | C80 | H108 | 109.5° | 109.5° |
| H107 | C80 | H108 | 109.5° | 109.5° |
| O22 | C81 | N20 | 118.6° | 120.0° |
| H109 | N20 | H110 | 119.9° | 120.0° |
| H109 | N20 | C81 | 120.0° | 120.0° |
| H110 | N20 | C81 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C1 | C2 | N1 | 175.9° | 179.7° |
| O1 | C1 | C2 | H1 | 0.0° | 90.0° |
| O1 | C1 | C2 | H2 | 120.0° | 150.0° |
| O1 | C1 | C2 | H3 | 120.0° | 30.0° |
| O1 | C1 | N1 | C3 | 5.9° | 0.0° |
| O1 | C1 | N1 | H4 | 174.1° | 180.0° |
| C1 | C2 | H1 | H2 | 120.0° | 120.0° |
| C1 | C2 | H1 | H3 | 120.0° | 120.0° |
| C1 | C2 | H2 | H3 | 120.0° | 120.0° |
| C2 | C1 | N1 | C3 | 178.2° | 179.7° |
| C2 | C1 | N1 | H4 | 1.8° | 0.3° |
| H1 | C2 | H2 | H3 | 120.0° | 120.0° |
| H1 | C2 | C1 | N1 | 175.9° | 89.7° |
| H2 | C2 | C1 | N1 | 64.1° | 30.3° |
| H3 | C2 | C1 | N1 | 55.9° | 150.3° |
| C3 | N1 | H4 | C1 | 180.0° | 180.0° |
| N1 | C3 | C4 | C5 | 127.4° | 120.0° |
| N1 | C3 | C4 | H5 | 117.5° | 120.0° |
| N1 | C3 | C5 | H5 | 114.8° | 120.0° |
| N1 | C3 | C4 | O2 | 167.0° | 20.0° |
| N1 | C3 | C5 | C6 | 124.7° | 65.0° |
| N1 | C3 | C5 | H6 | 3.6° | 175.0° |
| N1 | C3 | C5 | H7 | 114.1° | 55.0° |
| N1 | C3 | C4 | N3 | 11.9° | 160.0° |
| H4 | N1 | C3 | C4 | 94.8° | 120.0° |
| H4 | N1 | C3 | C5 | 33.8° | 120.0° |
| H4 | N1 | C3 | H5 | 148.2° | 0.0° |
| C4 | C3 | C5 | H5 | 115.1° | 120.0° |
| C3 | C4 | O2 | N3 | 178.8° | 179.9° |
| C4 | C3 | C5 | C6 | 5.3° | 175.0° |
| C4 | C3 | C5 | H6 | 126.4° | 55.0° |
| C4 | C3 | C5 | H7 | 115.8° | 65.0° |
| C3 | C4 | N3 | C9 | 178.0° | 180.0° |
| C3 | C4 | N3 | H16 | 2.0° | 0.1° |
| C4 | C3 | N1 | C1 | 85.2° | 60.0° |
| C5 | C3 | C4 | O2 | 65.7° | 100.0° |
| C3 | C5 | C6 | H6 | 121.1° | 120.0° |
| C3 | C5 | C6 | H7 | 121.1° | 120.0° |
| C3 | C5 | H6 | H7 | 116.5° | 120.0° |
| C3 | C5 | C6 | C7 | 129.7° | 180.0° |
| C3 | C5 | C6 | H8 | 110.0° | 60.0° |
| C3 | C5 | C6 | H9 | 9.4° | 60.0° |
| C5 | C3 | N1 | C1 | 146.2° | 60.0° |
| C5 | C3 | C4 | N3 | 115.4° | 80.0° |
| H5 | C3 | C4 | O2 | 49.5° | 140.0° |
| H5 | C3 | C5 | C6 | 120.4° | 55.0° |
| H5 | C3 | C5 | H6 | 118.5° | 65.0° |
| H5 | C3 | C5 | H7 | 0.7° | 175.0° |
| H5 | C3 | N1 | C1 | 31.8° | 180.0° |
| H5 | C3 | C4 | N3 | 129.4° | 40.1° |
| O2 | C4 | N3 | C9 | 0.8° | 0.0° |
| O2 | C4 | N3 | H16 | 179.1° | 180.0° |
| C6 | C5 | H6 | H7 | 116.5° | 120.0° |
| C5 | C6 | C7 | H8 | 120.4° | 120.0° |
| C5 | C6 | C7 | H9 | 120.3° | 120.0° |
| C5 | C6 | H8 | H9 | 118.9° | 120.0° |
| C5 | C6 | C7 | C8 | 84.9° | 180.0° |
| C5 | C6 | C7 | H10 | 154.7° | 60.0° |
| C5 | C6 | C7 | H11 | 35.5° | 60.0° |
| H6 | C5 | C6 | C7 | 8.6° | 60.0° |
| H6 | C5 | C6 | H8 | 128.9° | 180.0° |
| H6 | C5 | C6 | H9 | 111.7° | 60.0° |
| H7 | C5 | C6 | C7 | 109.2° | 60.0° |
| H7 | C5 | C6 | H8 | 11.2° | 60.0° |
| H7 | C5 | C6 | H9 | 130.5° | 180.0° |
| C7 | C6 | H8 | H9 | 118.9° | 119.9° |
| C6 | C7 | C8 | H10 | 120.4° | 120.0° |
| C6 | C7 | C8 | H11 | 120.3° | 120.0° |
| C6 | C7 | H10 | H11 | 118.8° | 120.0° |
| C6 | C7 | C8 | N2 | 70.5° | 180.0° |
| C6 | C7 | C8 | H12 | 49.9° | 60.0° |
| C6 | C7 | C8 | H13 | 169.0° | 60.0° |
| H8 | C6 | C7 | C8 | 35.5° | 60.0° |
| H8 | C6 | C7 | H10 | 84.9° | 180.0° |
| H8 | C6 | C7 | H11 | 155.8° | 60.0° |
| H9 | C6 | C7 | C8 | 154.8° | 60.0° |
| H9 | C6 | C7 | H10 | 34.4° | 60.1° |
| H9 | C6 | C7 | H11 | 84.8° | 180.0° |
| C8 | C7 | H10 | H11 | 118.9° | 120.0° |
| C7 | C8 | N2 | H12 | 120.4° | 120.0° |
| C7 | C8 | N2 | H13 | 120.5° | 120.0° |
| C7 | C8 | H12 | H13 | 118.6° | 120.0° |
| C7 | C8 | N2 | H14 | 180.0° | 56.0° |
| C7 | C8 | N2 | H15 | 60.0° | 180.0° |
| H10 | C7 | C8 | N2 | 169.1° | 60.0° |
| H10 | C7 | C8 | H12 | 70.5° | 180.0° |
| H10 | C7 | C8 | H13 | 48.6° | 60.0° |
| H11 | C7 | C8 | N2 | 49.8° | 60.0° |
| H11 | C7 | C8 | H12 | 170.3° | 60.0° |
| H11 | C7 | C8 | H13 | 70.6° | 180.0° |
| N2 | C8 | H12 | H13 | 118.6° | 120.0° |
| C8 | N2 | H14 | H15 | 120.0° | 124.0° |
| H12 | C8 | N2 | H14 | 59.6° | 64.0° |
| H12 | C8 | N2 | H15 | 179.5° | 60.0° |
| H13 | C8 | N2 | H14 | 59.5° | 176.0° |
| H13 | C8 | N2 | H15 | 60.4° | 60.0° |
| C9 | N3 | H16 | C4 | 180.0° | 180.0° |
| N3 | C9 | C10 | H17 | 120.7° | 119.9° |
| N3 | C9 | C10 | H18 | 120.7° | 120.0° |
| N3 | C9 | H17 | H18 | 118.0° | 120.0° |
| N3 | C9 | C10 | O3 | 10.6° | 0.0° |
| N3 | C9 | C10 | N4 | 169.4° | 180.0° |
| H16 | N3 | C9 | C10 | 25.9° | 0.0° |
| H16 | N3 | C9 | H17 | 94.8° | 120.0° |
| H16 | N3 | C9 | H18 | 146.5° | 120.0° |
| C10 | C9 | H17 | H18 | 118.0° | 120.1° |
| C9 | C10 | O3 | N4 | 179.9° | 180.0° |
| C9 | C10 | N4 | C11 | 179.2° | 180.0° |
| C9 | C10 | N4 | H19 | 0.8° | 0.0° |
| C10 | C9 | N3 | C4 | 154.1° | 180.0° |
| H17 | C9 | C10 | O3 | 110.0° | 119.9° |
| H17 | C9 | N3 | C4 | 85.2° | 60.0° |
| H17 | C9 | C10 | N4 | 69.9° | 60.1° |
| H18 | C9 | C10 | O3 | 131.3° | 120.0° |
| H18 | C9 | N3 | C4 | 33.5° | 60.0° |
| H18 | C9 | C10 | N4 | 48.7° | 60.0° |
| O3 | C10 | N4 | C11 | 0.8° | 0.0° |
| O3 | C10 | N4 | H19 | 179.2° | 180.0° |
| C11 | N4 | H19 | C10 | 180.0° | 180.0° |
| N4 | C11 | C12 | C13 | 126.7° | 120.0° |
| N4 | C11 | C12 | H20 | 117.0° | 120.0° |
| N4 | C11 | C13 | H20 | 119.5° | 120.1° |
| N4 | C11 | C12 | H21 | 180.0° | 60.0° |
| N4 | C11 | C12 | H22 | 60.0° | 60.0° |
| N4 | C11 | C12 | H23 | 60.0° | 180.0° |
| N4 | C11 | C13 | O4 | 139.0° | 0.1° |
| N4 | C11 | C13 | N5 | 39.4° | 180.0° |
| H19 | N4 | C11 | C12 | 9.9° | 95.0° |
| H19 | N4 | C11 | C13 | 134.1° | 24.9° |
| H19 | N4 | C11 | H20 | 106.7° | 145.0° |
| C12 | C11 | C13 | H20 | 116.2° | 119.9° |
| C11 | C12 | H21 | H22 | 120.0° | 120.0° |
| C11 | C12 | H21 | H23 | 120.0° | 120.0° |
| C11 | C12 | H22 | H23 | 120.0° | 120.0° |
| C12 | C11 | C13 | O4 | 96.6° | 120.1° |
| C12 | C11 | N4 | C10 | 170.1° | 85.0° |
| C12 | C11 | C13 | N5 | 84.9° | 60.0° |
| C13 | C11 | C12 | H21 | 53.3° | 60.0° |
| C13 | C11 | C12 | H22 | 66.7° | 180.0° |
| C13 | C11 | C12 | H23 | 173.3° | 60.0° |
| C11 | C13 | O4 | N5 | 178.3° | 179.9° |
| C11 | C13 | N5 | C14 | 176.7° | 180.0° |
| C11 | C13 | N5 | H24 | 3.4° | 0.1° |
| C13 | C11 | N4 | C10 | 45.9° | 155.0° |
| H20 | C11 | C12 | H21 | 63.0° | 180.0° |
| H20 | C11 | C12 | H22 | 177.0° | 60.1° |
| H20 | C11 | C12 | H23 | 57.0° | 60.0° |
| H20 | C11 | C13 | O4 | 19.5° | 120.0° |
| H20 | C11 | N4 | C10 | 73.3° | 35.0° |
| H20 | C11 | C13 | N5 | 158.9° | 59.9° |
| H21 | C12 | H22 | H23 | 120.0° | 120.0° |
| O4 | C13 | N5 | C14 | 4.9° | 0.1° |
| O4 | C13 | N5 | H24 | 175.0° | 180.0° |
| C14 | N5 | H24 | C13 | 180.0° | 179.9° |
| N5 | C14 | C15 | C16 | 124.4° | 120.0° |
| N5 | C14 | C15 | H25 | 119.0° | 120.0° |
| N5 | C14 | C16 | H25 | 117.2° | 120.0° |
| N5 | C14 | C15 | O5 | 160.1° | 83.4° |
| N5 | C14 | C16 | S1 | 76.5° | 19.5° |
| N5 | C14 | C16 | H26 | 163.5° | 139.6° |
| N5 | C14 | C16 | H27 | 43.5° | 100.4° |
| N5 | C14 | C15 | N6 | 18.6° | 96.7° |
| H24 | N5 | C14 | C15 | 114.6° | 95.0° |
| H24 | N5 | C14 | C16 | 10.1° | 25.1° |
| H24 | N5 | C14 | H25 | 126.8° | 145.1° |
| C15 | C14 | C16 | H25 | 116.7° | 120.0° |
| C14 | C15 | O5 | N6 | 178.7° | 180.0° |
| C15 | C14 | C16 | S1 | 157.4° | 139.6° |
| C15 | C14 | C16 | H26 | 37.4° | 100.4° |
| C15 | C14 | C16 | H27 | 82.6° | 19.6° |
| C14 | C15 | N6 | C17 | 177.2° | 179.7° |
| C14 | C15 | N6 | H28 | 2.8° | 0.3° |
| C15 | C14 | N5 | C13 | 65.3° | 84.9° |
| C16 | C14 | C15 | O5 | 75.4° | 36.7° |
| C14 | C16 | S1 | H26 | 120.0° | 120.1° |
| C14 | C16 | S1 | H27 | 120.0° | 119.9° |
| C14 | C16 | H26 | H27 | 120.0° | 120.0° |
| C16 | C14 | N5 | C13 | 170.0° | 155.0° |
| C16 | C14 | C15 | N6 | 105.8° | 143.3° |
| C14 | C16 | S1 | S2 | 53.7° | 179.2° |
| H25 | C14 | C15 | O5 | 41.2° | 156.7° |
| H25 | C14 | C16 | S1 | 40.7° | 100.4° |
| H25 | C14 | C16 | H26 | 79.3° | 19.6° |
| H25 | C14 | C16 | H27 | 160.7° | 139.6° |
| H25 | C14 | N5 | C13 | 53.2° | 35.0° |
| H25 | C14 | C15 | N6 | 137.6° | 23.3° |
| O5 | C15 | N6 | C17 | 4.1° | 0.3° |
| O5 | C15 | N6 | H28 | 175.9° | 179.8° |
| S1 | C16 | H26 | H27 | 120.0° | 120.0° |
| C16 | S1 | S2 | C75 | 89.9° | 73.8° |
| H26 | C16 | S1 | S2 | 66.3° | 59.2° |
| H27 | C16 | S1 | S2 | 173.7° | 60.9° |
| C17 | N6 | H28 | C15 | 180.0° | 179.9° |
| N6 | C17 | C18 | C19 | 122.1° | 119.8° |
| N6 | C17 | C18 | H29 | 120.0° | 119.9° |
| N6 | C17 | C19 | H29 | 119.1° | 120.3° |
| N6 | C17 | C18 | O6 | 167.4° | 52.6° |
| N6 | C17 | C19 | C20 | 61.9° | 174.5° |
| N6 | C17 | C19 | H30 | 177.6° | 65.6° |
| N6 | C17 | C19 | H31 | 58.6° | 54.4° |
| N6 | C17 | C18 | N7 | 13.9° | 127.3° |
| H28 | N6 | C17 | C18 | 95.7° | 16.6° |
| H28 | N6 | C17 | C19 | 26.3° | 103.2° |
| H28 | N6 | C17 | H29 | 144.8° | 136.4° |
| C18 | C17 | C19 | H29 | 118.0° | 120.2° |
| C17 | C18 | O6 | N7 | 178.6° | 179.9° |
| C18 | C17 | C19 | C20 | 175.2° | 66.1° |
| C18 | C17 | C19 | H30 | 54.7° | 53.9° |
| C18 | C17 | C19 | H31 | 64.3° | 173.8° |
| C17 | C18 | N7 | C21 | 171.2° | 178.9° |
| C17 | C18 | N7 | H33 | 8.8° | 1.1° |
| C18 | C17 | N6 | C15 | 84.3° | 163.3° |
| C19 | C17 | C18 | O6 | 70.4° | 67.3° |
| C17 | C19 | C20 | H30 | 120.5° | 119.9° |
| C17 | C19 | C20 | H31 | 120.5° | 120.1° |
| C17 | C19 | H30 | H31 | 118.5° | 120.0° |
| C17 | C19 | C20 | O7 | 118.5° | 4.6° |
| C17 | C19 | C20 | O8 | 61.2° | 175.2° |
| C19 | C17 | N6 | C15 | 153.7° | 76.8° |
| C19 | C17 | C18 | N7 | 108.2° | 112.8° |
| H29 | C17 | C18 | O6 | 47.5° | 172.5° |
| H29 | C17 | C19 | C20 | 57.2° | 54.1° |
| H29 | C17 | C19 | H30 | 63.3° | 174.1° |
| H29 | C17 | C19 | H31 | 177.7° | 65.9° |
| H29 | C17 | N6 | C15 | 35.2° | 43.5° |
| H29 | C17 | C18 | N7 | 133.9° | 7.5° |
| O6 | C18 | N7 | C21 | 7.4° | 1.2° |
| O6 | C18 | N7 | H33 | 172.6° | 178.8° |
| C20 | C19 | H30 | H31 | 118.5° | 120.1° |
| C19 | C20 | O7 | O8 | 179.7° | 179.9° |
| C19 | C20 | O8 | H32 | 179.7° | 180.0° |
| H30 | C19 | C20 | O7 | 121.0° | 115.3° |
| H30 | C19 | C20 | O8 | 59.3° | 64.8° |
| H31 | C19 | C20 | O7 | 2.0° | 124.7° |
| H31 | C19 | C20 | O8 | 178.3° | 55.2° |
| O7 | C20 | O8 | H32 | 0.0° | 0.1° |
| C21 | N7 | H33 | C18 | 180.0° | 179.9° |
| N7 | C21 | C22 | C23 | 122.7° | 119.9° |
| N7 | C21 | C22 | H34 | 120.4° | 119.8° |
| N7 | C21 | C23 | H34 | 118.5° | 120.2° |
| N7 | C21 | C22 | O9 | 51.8° | 1.8° |
| N7 | C21 | C23 | C24 | 67.0° | 59.6° |
| N7 | C21 | C23 | H35 | 172.4° | 60.4° |
| N7 | C21 | C23 | H36 | 53.5° | 179.6° |
| N7 | C21 | C22 | N8 | 129.5° | 178.2° |
| H33 | N7 | C21 | C22 | 71.4° | 32.1° |
| H33 | N7 | C21 | C23 | 50.3° | 152.0° |
| H33 | N7 | C21 | H34 | 168.5° | 87.7° |
| C22 | C21 | C23 | H34 | 117.0° | 120.3° |
| C21 | C22 | O9 | N8 | 178.6° | 179.9° |
| C22 | C21 | C23 | C24 | 168.5° | 59.9° |
| C22 | C21 | C23 | H35 | 47.9° | 179.9° |
| C22 | C21 | C23 | H36 | 71.0° | 60.1° |
| C21 | C22 | N8 | C30 | 176.5° | 179.6° |
| C21 | C22 | N8 | C33 | 3.3° | 0.4° |
| C22 | C21 | N7 | C18 | 108.6° | 148.0° |
| C23 | C21 | C22 | O9 | 70.9° | 118.0° |
| C21 | C23 | C24 | H35 | 120.6° | 120.0° |
| C21 | C23 | C24 | H36 | 120.6° | 120.0° |
| C21 | C23 | H35 | H36 | 118.3° | 120.0° |
| C21 | C23 | C24 | C25 | 97.4° | 104.1° |
| C21 | C23 | C24 | C26 | 80.5° | 76.2° |
| C23 | C21 | N7 | C18 | 129.7° | 28.1° |
| C23 | C21 | C22 | N8 | 107.8° | 61.9° |
| H34 | C21 | C22 | O9 | 172.2° | 121.7° |
| H34 | C21 | C23 | C24 | 51.5° | 179.8° |
| H34 | C21 | C23 | H35 | 69.1° | 59.8° |
| H34 | C21 | C23 | H36 | 172.0° | 60.2° |
| H34 | C21 | N7 | C18 | 11.5° | 92.2° |
| H34 | C21 | C22 | N8 | 9.1° | 58.4° |
| O9 | C22 | N8 | C30 | 2.2° | 0.3° |
| O9 | C22 | N8 | C33 | 178.0° | 179.7° |
| C24 | C23 | H35 | H36 | 118.3° | 120.0° |
| C23 | C24 | C25 | C26 | 178.0° | 179.7° |
| C23 | C24 | C25 | C27 | 178.9° | 180.0° |
| C23 | C24 | C25 | H37 | 1.1° | 0.0° |
| C23 | C24 | C26 | C28 | 179.1° | 180.0° |
| C23 | C24 | C26 | H38 | 0.9° | 0.0° |
| H35 | C23 | C24 | C25 | 23.2° | 15.9° |
| H35 | C23 | C24 | C26 | 158.9° | 163.8° |
| H36 | C23 | C24 | C25 | 142.0° | 135.9° |
| H36 | C23 | C24 | C26 | 40.0° | 43.9° |
| C24 | C25 | C27 | H37 | 180.0° | 179.9° |
| C25 | C24 | C26 | C28 | 1.1° | 0.3° |
| C25 | C24 | C26 | H38 | 178.8° | 179.7° |
| C24 | C25 | C27 | C29 | 0.1° | 0.0° |
| C24 | C25 | C27 | H39 | 179.9° | 179.9° |
| C26 | C24 | C25 | C27 | 0.9° | 0.3° |
| C26 | C24 | C25 | H37 | 179.1° | 179.8° |
| C24 | C26 | C28 | H38 | 180.0° | 180.0° |
| C24 | C26 | C28 | C29 | 0.4° | 0.0° |
| C24 | C26 | C28 | H40 | 179.7° | 180.0° |
| C25 | C27 | C29 | H39 | 180.0° | 180.0° |
| C25 | C27 | C29 | C28 | 0.9° | 0.2° |
| C25 | C27 | C29 | O10 | 179.6° | 180.0° |
| H37 | C25 | C27 | C29 | 179.9° | 180.0° |
| H37 | C25 | C27 | H39 | 0.0° | 0.0° |
| C26 | C28 | C29 | C27 | 0.7° | 0.3° |
| C26 | C28 | C29 | H40 | 180.0° | 180.0° |
| C26 | C28 | C29 | O10 | 179.3° | 180.0° |
| H38 | C26 | C28 | C29 | 179.6° | 180.0° |
| H38 | C26 | C28 | H40 | 0.3° | 0.1° |
| C27 | C29 | C28 | O10 | 178.7° | 179.8° |
| C27 | C29 | C28 | H40 | 179.3° | 179.7° |
| C27 | C29 | O10 | H41 | 161.9° | 90.1° |
| H39 | C27 | C29 | C28 | 179.1° | 179.8° |
| H39 | C27 | C29 | O10 | 0.5° | 0.0° |
| C28 | C29 | O10 | H41 | 16.8° | 89.7° |
| H40 | C28 | C29 | O10 | 0.6° | 0.1° |
| C30 | N8 | C33 | C22 | 179.8° | 179.9° |
| N8 | C30 | C31 | C34 | 121.5° | 119.4° |
| N8 | C30 | C31 | H42 | 117.7° | 119.7° |
| N8 | C30 | C34 | H42 | 123.4° | 121.0° |
| N8 | C30 | C31 | C32 | 14.8° | 11.3° |
| N8 | C30 | C31 | H43 | 104.6° | 107.8° |
| N8 | C30 | C31 | H44 | 134.1° | 130.5° |
| C30 | N8 | C33 | C32 | 23.5° | 18.6° |
| C30 | N8 | C33 | H47 | 142.4° | 101.0° |
| C30 | N8 | C33 | H48 | 95.3° | 138.2° |
| N8 | C30 | C34 | O11 | 134.4° | 32.6° |
| N8 | C30 | C34 | N9 | 42.3° | 147.4° |
| C33 | N8 | C30 | C31 | 5.4° | 18.7° |
| C33 | N8 | C30 | C34 | 125.3° | 100.6° |
| C33 | N8 | C30 | H42 | 111.8° | 138.3° |
| N8 | C33 | C32 | C31 | 32.2° | 11.0° |
| N8 | C33 | C32 | H47 | 118.8° | 119.5° |
| N8 | C33 | C32 | H48 | 118.8° | 119.6° |
| N8 | C33 | C32 | H45 | 151.8° | 108.2° |
| N8 | C33 | C32 | H46 | 87.3° | 130.2° |
| N8 | C33 | H47 | H48 | 123.4° | 120.9° |
| C31 | C30 | C34 | H42 | 121.0° | 120.8° |
| C30 | C31 | C32 | H43 | 119.3° | 119.1° |
| C30 | C31 | C32 | H44 | 119.3° | 119.2° |
| C30 | C31 | H43 | H44 | 121.9° | 121.7° |
| C30 | C31 | C32 | C33 | 30.1° | 0.2° |
| C30 | C31 | C32 | H45 | 149.6° | 119.3° |
| C30 | C31 | C32 | H46 | 89.5° | 119.0° |
| C31 | C30 | C34 | O11 | 109.9° | 85.5° |
| C31 | C30 | N8 | C22 | 174.5° | 161.2° |
| C31 | C30 | C34 | N9 | 73.4° | 94.5° |
| C34 | C30 | C31 | C32 | 106.7° | 108.1° |
| C34 | C30 | C31 | H43 | 133.9° | 132.7° |
| C34 | C30 | C31 | H44 | 12.6° | 11.1° |
| C30 | C34 | O11 | N9 | 176.5° | 180.0° |
| C30 | C34 | N9 | C35 | 175.9° | 178.3° |
| C30 | C34 | N9 | H49 | 4.1° | 1.7° |
| C34 | C30 | N8 | C22 | 54.5° | 79.4° |
| H42 | C30 | C31 | C32 | 132.4° | 131.0° |
| H42 | C30 | C31 | H43 | 13.1° | 11.9° |
| H42 | C30 | C31 | H44 | 108.2° | 109.8° |
| H42 | C30 | C34 | O11 | 11.0° | 153.6° |
| H42 | C30 | N8 | C22 | 68.4° | 41.6° |
| H42 | C30 | C34 | N9 | 165.7° | 26.4° |
| C32 | C31 | H43 | H44 | 122.0° | 121.7° |
| C31 | C32 | C33 | H45 | 119.5° | 119.2° |
| C31 | C32 | C33 | H46 | 119.6° | 119.2° |
| C31 | C32 | H45 | H46 | 121.4° | 121.7° |
| C31 | C32 | C33 | H47 | 151.1° | 108.6° |
| C31 | C32 | C33 | H48 | 86.6° | 130.6° |
| H43 | C31 | C32 | C33 | 89.3° | 118.9° |
| H43 | C31 | C32 | H45 | 30.3° | 0.2° |
| H43 | C31 | C32 | H46 | 151.2° | 121.9° |
| H44 | C31 | C32 | C33 | 149.4° | 119.4° |
| H44 | C31 | C32 | H45 | 91.1° | 121.4° |
| H44 | C31 | C32 | H46 | 29.8° | 0.3° |
| C33 | C32 | H45 | H46 | 121.3° | 121.6° |
| C32 | C33 | H47 | H48 | 123.4° | 120.8° |
| C32 | C33 | N8 | C22 | 156.3° | 161.4° |
| H45 | C32 | C33 | H47 | 89.4° | 132.3° |
| H45 | C32 | C33 | H48 | 32.9° | 11.4° |
| H46 | C32 | C33 | H47 | 31.5° | 10.6° |
| H46 | C32 | C33 | H48 | 153.8° | 110.2° |
| H47 | C33 | N8 | C22 | 37.4° | 79.1° |
| H48 | C33 | N8 | C22 | 84.9° | 41.8° |
| O11 | C34 | N9 | C35 | 7.6° | 1.7° |
| O11 | C34 | N9 | H49 | 172.4° | 178.3° |
| C35 | N9 | H49 | C34 | 180.0° | 180.0° |
| N9 | C35 | C36 | C37 | 125.2° | 119.9° |
| N9 | C35 | C36 | H50 | 118.9° | 120.0° |
| N9 | C35 | C37 | H50 | 117.1° | 120.1° |
| N9 | C35 | C36 | O12 | 177.0° | 4.0° |
| N9 | C35 | C37 | C38 | 68.4° | 173.2° |
| N9 | C35 | C37 | H51 | 52.2° | 53.2° |
| N9 | C35 | C37 | H52 | 170.9° | 66.7° |
| N9 | C35 | C36 | N10 | 3.6° | 176.0° |
| H49 | N9 | C35 | C36 | 105.0° | 30.6° |
| H49 | N9 | C35 | C37 | 19.9° | 150.6° |
| H49 | N9 | C35 | H50 | 136.5° | 89.3° |
| C36 | C35 | C37 | H50 | 116.0° | 120.1° |
| C35 | C36 | O12 | N10 | 179.3° | 180.0° |
| C36 | C35 | C37 | C38 | 58.5° | 53.5° |
| C36 | C35 | C37 | H51 | 179.1° | 66.5° |
| C36 | C35 | C37 | H52 | 62.2° | 173.5° |
| C35 | C36 | N10 | C40 | 175.9° | 179.8° |
| C35 | C36 | N10 | H56 | 4.1° | 0.2° |
| C36 | C35 | N9 | C34 | 75.0° | 149.3° |
| C37 | C35 | C36 | O12 | 57.8° | 124.0° |
| C35 | C37 | C38 | H51 | 120.7° | 120.0° |
| C35 | C37 | C38 | H52 | 120.7° | 120.0° |
| C35 | C37 | H51 | H52 | 117.9° | 119.9° |
| C35 | C37 | C38 | C39 | 89.7° | 174.9° |
| C35 | C37 | C38 | H53 | 149.5° | 54.9° |
| C35 | C37 | C38 | H54 | 31.1° | 65.1° |
| C37 | C35 | N9 | C34 | 160.1° | 29.4° |
| C37 | C35 | C36 | N10 | 121.6° | 56.0° |
| H50 | C35 | C36 | O12 | 58.1° | 115.9° |
| H50 | C35 | C37 | C38 | 174.5° | 66.6° |
| H50 | C35 | C37 | H51 | 64.9° | 173.4° |
| H50 | C35 | C37 | H52 | 53.8° | 53.4° |
| H50 | C35 | N9 | C34 | 43.5° | 90.7° |
| H50 | C35 | C36 | N10 | 122.5° | 64.0° |
| O12 | C36 | N10 | C40 | 3.5° | 0.2° |
| O12 | C36 | N10 | H56 | 176.6° | 179.8° |
| C38 | C37 | H51 | H52 | 117.9° | 120.0° |
| C37 | C38 | C39 | H53 | 120.8° | 119.9° |
| C37 | C38 | C39 | H54 | 120.8° | 120.0° |
| C37 | C38 | H53 | H54 | 117.5° | 120.0° |
| C37 | C38 | C39 | O13 | 28.8° | 5.9° |
| C37 | C38 | C39 | O14 | 149.9° | 174.1° |
| H51 | C37 | C38 | C39 | 30.9° | 65.1° |
| H51 | C37 | C38 | H53 | 89.9° | 174.9° |
| H51 | C37 | C38 | H54 | 151.7° | 54.9° |
| H52 | C37 | C38 | C39 | 149.6° | 54.9° |
| H52 | C37 | C38 | H53 | 28.8° | 65.1° |
| H52 | C37 | C38 | H54 | 89.6° | 174.9° |
| C39 | C38 | H53 | H54 | 117.6° | 120.1° |
| C38 | C39 | O13 | O14 | 178.7° | 180.0° |
| C38 | C39 | O14 | H55 | 178.7° | 180.0° |
| H53 | C38 | C39 | O13 | 149.6° | 114.0° |
| H53 | C38 | C39 | O14 | 29.2° | 66.0° |
| H54 | C38 | C39 | O13 | 92.0° | 125.9° |
| H54 | C38 | C39 | O14 | 89.3° | 54.1° |
| O13 | C39 | O14 | H55 | 0.0° | 0.1° |
| C40 | N10 | H56 | C36 | 180.0° | 179.9° |
| N10 | C40 | C41 | C50 | 123.9° | 119.0° |
| N10 | C40 | C41 | H57 | 118.7° | 120.4° |
| N10 | C40 | C50 | H57 | 119.2° | 119.8° |
| N10 | C40 | C41 | C42 | 72.9° | 65.1° |
| N10 | C40 | C41 | H58 | 166.3° | 175.0° |
| N10 | C40 | C41 | H59 | 47.8° | 55.0° |
| N10 | C40 | C50 | O15 | 172.5° | 17.4° |
| N10 | C40 | C50 | N12 | 8.5° | 162.6° |
| H56 | N10 | C40 | C41 | 63.9° | 90.3° |
| H56 | N10 | C40 | C50 | 58.8° | 29.3° |
| H56 | N10 | C40 | H57 | 177.7° | 149.2° |
| C41 | C40 | C50 | H57 | 117.4° | 120.5° |
| C40 | C41 | C42 | H58 | 120.7° | 120.0° |
| C40 | C41 | C42 | H59 | 120.8° | 120.1° |
| C40 | C41 | H58 | H59 | 117.7° | 120.0° |
| C40 | C41 | C42 | C43 | 104.8° | 95.0° |
| C40 | C41 | C42 | C49 | 76.1° | 84.7° |
| C41 | C40 | C50 | O15 | 49.0° | 102.3° |
| C41 | C40 | N10 | C36 | 116.1° | 89.6° |
| C41 | C40 | C50 | N12 | 131.9° | 77.7° |
| C50 | C40 | C41 | C42 | 163.1° | 176.0° |
| C50 | C40 | C41 | H58 | 42.4° | 56.0° |
| C50 | C40 | C41 | H59 | 76.1° | 64.0° |
| C40 | C50 | O15 | N12 | 179.0° | 180.0° |
| C40 | C50 | N12 | C51 | 176.7° | 179.2° |
| C40 | C50 | N12 | H66 | 3.3° | 0.8° |
| C50 | C40 | N10 | C36 | 121.2° | 150.7° |
| H57 | C40 | C41 | C42 | 45.8° | 55.3° |
| H57 | C40 | C41 | H58 | 74.9° | 64.6° |
| H57 | C40 | C41 | H59 | 166.5° | 175.4° |
| H57 | C40 | C50 | O15 | 68.3° | 137.2° |
| H57 | C40 | N10 | C36 | 2.3° | 30.8° |
| H57 | C40 | C50 | N12 | 110.7° | 42.8° |
| C42 | C41 | H58 | H59 | 117.7° | 120.0° |
| C41 | C42 | C43 | C49 | 179.2° | 179.7° |
| C41 | C42 | C43 | N11 | 179.7° | 180.0° |
| C41 | C42 | C43 | H60 | 0.3° | 0.1° |
| C41 | C42 | C49 | C44 | 179.3° | 179.9° |
| C41 | C42 | C49 | C48 | 0.6° | 0.7° |
| H58 | C41 | C42 | C43 | 134.4° | 145.0° |
| H58 | C41 | C42 | C49 | 44.6° | 35.3° |
| H59 | C41 | C42 | C43 | 15.9° | 25.1° |
| H59 | C41 | C42 | C49 | 163.1° | 155.2° |
| C42 | C43 | N11 | H60 | 180.0° | 179.9° |
| C42 | C43 | N11 | C44 | 1.6° | 0.0° |
| C42 | C43 | N11 | H61 | 178.4° | 179.9° |
| C43 | C42 | C49 | C44 | 0.2° | 0.4° |
| C43 | C42 | C49 | C48 | 178.6° | 179.5° |
| C49 | C42 | C43 | N11 | 1.1° | 0.2° |
| C49 | C42 | C43 | H60 | 178.9° | 179.8° |
| C42 | C49 | C44 | N11 | 0.8° | 0.4° |
| C42 | C49 | C44 | C45 | 179.5° | 179.9° |
| C42 | C49 | C44 | C48 | 179.0° | 179.3° |
| C42 | C49 | C48 | C47 | 179.2° | 179.6° |
| C42 | C49 | C48 | H65 | 0.8° | 0.7° |
| C43 | N11 | C44 | H61 | 180.0° | 179.9° |
| C43 | N11 | C44 | C45 | 180.0° | 179.9° |
| C43 | N11 | C44 | C49 | 1.5° | 0.3° |
| H60 | C43 | N11 | C44 | 178.4° | 179.9° |
| H60 | C43 | N11 | H61 | 1.6° | 0.0° |
| N11 | C44 | C45 | C49 | 178.3° | 179.6° |
| N11 | C44 | C45 | C46 | 179.8° | 179.9° |
| N11 | C44 | C45 | H62 | 0.2° | 0.1° |
| N11 | C44 | C49 | C48 | 179.8° | 179.7° |
| H61 | N11 | C44 | C45 | 0.0° | 0.1° |
| H61 | N11 | C44 | C49 | 178.5° | 179.8° |
| C44 | C45 | C46 | H62 | 180.0° | 180.0° |
| C44 | C45 | C46 | C47 | 1.2° | 0.0° |
| C44 | C45 | C46 | H63 | 178.8° | 179.9° |
| C45 | C44 | C49 | C48 | 1.6° | 0.6° |
| C49 | C44 | C45 | C46 | 1.9° | 0.3° |
| C49 | C44 | C45 | H62 | 178.1° | 179.7° |
| C44 | C49 | C48 | C47 | 0.6° | 0.6° |
| C44 | C49 | C48 | H65 | 179.4° | 179.7° |
| C45 | C46 | C47 | H63 | 180.0° | 179.9° |
| C45 | C46 | C47 | C48 | 0.3° | 0.0° |
| C45 | C46 | C47 | H64 | 179.7° | 180.0° |
| H62 | C45 | C46 | C47 | 178.8° | 180.0° |
| H62 | C45 | C46 | H63 | 1.2° | 0.1° |
| C46 | C47 | C48 | H64 | 180.0° | 180.0° |
| C46 | C47 | C48 | C49 | 0.0° | 0.3° |
| C46 | C47 | C48 | H65 | 180.0° | 180.0° |
| H63 | C46 | C47 | C48 | 179.7° | 179.9° |
| H63 | C46 | C47 | H64 | 0.3° | 0.1° |
| C47 | C48 | C49 | H65 | 180.0° | 179.7° |
| H64 | C47 | C48 | C49 | 180.0° | 179.7° |
| H64 | C47 | C48 | H65 | 0.0° | 0.0° |
| O15 | C50 | N12 | C51 | 2.4° | 0.8° |
| O15 | C50 | N12 | H66 | 177.6° | 179.2° |
| C51 | N12 | H66 | C50 | 180.0° | 180.0° |
| N12 | C51 | C52 | C53 | 127.6° | 119.8° |
| N12 | C51 | C52 | H67 | 116.9° | 119.8° |
| N12 | C51 | C53 | H67 | 116.5° | 120.3° |
| N12 | C51 | C52 | O16 | 136.8° | 31.0° |
| N12 | C51 | C53 | C54 | 64.9° | 55.8° |
| N12 | C51 | C53 | H68 | 174.5° | 64.2° |
| N12 | C51 | C53 | H69 | 55.8° | 175.8° |
| N12 | C51 | C52 | N14 | 41.7° | 148.9° |
| H66 | N12 | C51 | C52 | 126.0° | 37.9° |
| H66 | N12 | C51 | C53 | 1.3° | 157.8° |
| H66 | N12 | C51 | H67 | 117.4° | 81.8° |
| C52 | C51 | C53 | H67 | 115.6° | 120.3° |
| C51 | C52 | O16 | N14 | 178.4° | 179.9° |
| C52 | C51 | C53 | C54 | 167.2° | 63.6° |
| C52 | C51 | C53 | H68 | 46.5° | 176.4° |
| C52 | C51 | C53 | H69 | 72.2° | 56.4° |
| C51 | C52 | N14 | C56 | 176.3° | 180.0° |
| C51 | C52 | N14 | H74 | 3.6° | 0.1° |
| C52 | C51 | N12 | C50 | 54.0° | 142.0° |
| C53 | C51 | C52 | O16 | 95.6° | 150.9° |
| C51 | C53 | C54 | H68 | 120.6° | 120.0° |
| C51 | C53 | C54 | H69 | 120.7° | 120.0° |
| C51 | C53 | H68 | H69 | 117.9° | 120.0° |
| C51 | C53 | C54 | C55 | 58.6° | 174.7° |
| C51 | C53 | C54 | H70 | 179.1° | 54.7° |
| C51 | C53 | C54 | H71 | 61.9° | 65.3° |
| C53 | C51 | N12 | C50 | 178.7° | 22.2° |
| C53 | C51 | C52 | N14 | 85.9° | 29.1° |
| H67 | C51 | C52 | O16 | 19.9° | 88.8° |
| H67 | C51 | C53 | C54 | 51.6° | 176.1° |
| H67 | C51 | C53 | H68 | 69.1° | 56.1° |
| H67 | C51 | C53 | H69 | 172.3° | 63.9° |
| H67 | C51 | N12 | C50 | 62.6° | 98.2° |
| H67 | C51 | C52 | N14 | 158.6° | 91.3° |
| O16 | C52 | N14 | C56 | 2.1° | 0.1° |
| O16 | C52 | N14 | H74 | 177.9° | 179.9° |
| C54 | C53 | H68 | H69 | 118.0° | 120.0° |
| C53 | C54 | C55 | H70 | 120.5° | 120.0° |
| C53 | C54 | C55 | H71 | 120.5° | 120.0° |
| C53 | C54 | H70 | H71 | 118.5° | 120.0° |
| C53 | C54 | C55 | O17 | 74.9° | 0.0° |
| C53 | C54 | C55 | N13 | 104.6° | 180.0° |
| H68 | C53 | C54 | C55 | 62.1° | 65.3° |
| H68 | C53 | C54 | H70 | 58.4° | 174.7° |
| H68 | C53 | C54 | H71 | 177.5° | 54.7° |
| H69 | C53 | C54 | C55 | 179.2° | 54.7° |
| H69 | C53 | C54 | H70 | 60.3° | 65.3° |
| H69 | C53 | C54 | H71 | 58.8° | 174.7° |
| C55 | C54 | H70 | H71 | 118.5° | 120.0° |
| C54 | C55 | O17 | N13 | 179.4° | 179.9° |
| C54 | C55 | N13 | H72 | 179.4° | 0.1° |
| C54 | C55 | N13 | H73 | 0.5° | 180.0° |
| H70 | C54 | C55 | O17 | 45.6° | 120.0° |
| H70 | C54 | C55 | N13 | 134.9° | 59.9° |
| H71 | C54 | C55 | O17 | 164.7° | 120.0° |
| H71 | C54 | C55 | N13 | 15.9° | 60.0° |
| O17 | C55 | N13 | H72 | 0.0° | 179.9° |
| O17 | C55 | N13 | H73 | 180.0° | 0.1° |
| C55 | N13 | H72 | H73 | 180.0° | 179.9° |
| C56 | N14 | H74 | C52 | 180.0° | 179.9° |
| N14 | C56 | C57 | C66 | 125.5° | 119.4° |
| N14 | C56 | C57 | H75 | 118.5° | 120.2° |
| N14 | C56 | C66 | H75 | 118.8° | 119.9° |
| N14 | C56 | C57 | C58 | 62.1° | 65.0° |
| N14 | C56 | C57 | H76 | 58.3° | 175.0° |
| N14 | C56 | C57 | H77 | 177.4° | 55.0° |
| N14 | C56 | C66 | O18 | 140.3° | 30.3° |
| N14 | C56 | C66 | N16 | 38.6° | 149.6° |
| H74 | N14 | C56 | C57 | 1.5° | 89.5° |
| H74 | N14 | C56 | C66 | 124.8° | 30.4° |
| H74 | N14 | C56 | H75 | 116.7° | 150.3° |
| C57 | C56 | C66 | H75 | 116.1° | 120.3° |
| C56 | C57 | C58 | H76 | 120.5° | 120.0° |
| C56 | C57 | C58 | H77 | 120.5° | 120.0° |
| C56 | C57 | H76 | H77 | 118.5° | 119.9° |
| C56 | C57 | C58 | C59 | 88.9° | 95.0° |
| C56 | C57 | C58 | C65 | 89.9° | 84.7° |
| C57 | C56 | C66 | O18 | 94.6° | 89.4° |
| C57 | C56 | N14 | C52 | 178.4° | 90.6° |
| C57 | C56 | C66 | N16 | 86.4° | 90.6° |
| C66 | C56 | C57 | C58 | 63.4° | 175.6° |
| C66 | C56 | C57 | H76 | 176.2° | 55.6° |
| C66 | C56 | C57 | H77 | 57.1° | 64.3° |
| C56 | C66 | O18 | N16 | 178.9° | 180.0° |
| C56 | C66 | N16 | C67 | 180.0° | 179.5° |
| C56 | C66 | N16 | H84 | 0.0° | 0.4° |
| C66 | C56 | N14 | C52 | 55.1° | 149.6° |
| H75 | C56 | C57 | C58 | 179.3° | 55.2° |
| H75 | C56 | C57 | H76 | 60.2° | 64.8° |
| H75 | C56 | C57 | H77 | 58.9° | 175.3° |
| H75 | C56 | C66 | O18 | 21.5° | 150.2° |
| H75 | C56 | N14 | C52 | 63.3° | 29.6° |
| H75 | C56 | C66 | N16 | 157.5° | 29.8° |
| C58 | C57 | H76 | H77 | 118.5° | 120.0° |
| C57 | C58 | C59 | C65 | 179.0° | 179.7° |
| C57 | C58 | C59 | N15 | 179.4° | 180.0° |
| C57 | C58 | C59 | H78 | 0.6° | 0.0° |
| C57 | C58 | C65 | C60 | 179.5° | 179.9° |
| C57 | C58 | C65 | C64 | 1.0° | 0.7° |
| H76 | C57 | C58 | C59 | 31.6° | 145.1° |
| H76 | C57 | C58 | C65 | 149.6° | 35.3° |
| H77 | C57 | C58 | C59 | 150.6° | 25.0° |
| H77 | C57 | C58 | C65 | 30.5° | 155.3° |
| C58 | C59 | N15 | H78 | 180.0° | 180.0° |
| C58 | C59 | N15 | C60 | 0.2° | 0.0° |
| C58 | C59 | N15 | H79 | 179.8° | 180.0° |
| C59 | C58 | C65 | C60 | 0.4° | 0.4° |
| C59 | C58 | C65 | C64 | 180.0° | 179.5° |
| C65 | C58 | C59 | N15 | 0.4° | 0.2° |
| C65 | C58 | C59 | H78 | 179.6° | 179.8° |
| C58 | C65 | C60 | N15 | 0.3° | 0.4° |
| C58 | C65 | C60 | C61 | 180.0° | 179.8° |
| C58 | C65 | C60 | C64 | 179.6° | 179.3° |
| C58 | C65 | C64 | C63 | 179.5° | 179.7° |
| C58 | C65 | C64 | H83 | 0.5° | 0.6° |
| C59 | N15 | C60 | H79 | 180.0° | 180.0° |
| C59 | N15 | C60 | C61 | 179.8° | 180.0° |
| C59 | N15 | C60 | C65 | 0.1° | 0.2° |
| H78 | C59 | N15 | C60 | 179.8° | 180.0° |
| H78 | C59 | N15 | H79 | 0.2° | 0.0° |
| N15 | C60 | C61 | C65 | 179.6° | 179.7° |
| N15 | C60 | C61 | C62 | 179.4° | 180.0° |
| N15 | C60 | C61 | H80 | 0.5° | 0.0° |
| N15 | C60 | C65 | C64 | 179.9° | 179.7° |
| H79 | N15 | C60 | C61 | 0.2° | 0.0° |
| H79 | N15 | C60 | C65 | 179.9° | 179.8° |
| C60 | C61 | C62 | H80 | 180.0° | 180.0° |
| C60 | C61 | C62 | C63 | 1.2° | 0.0° |
| C60 | C61 | C62 | H81 | 178.8° | 180.0° |
| C61 | C60 | C65 | C64 | 0.4° | 0.5° |
| C65 | C60 | C61 | C62 | 0.9° | 0.2° |
| C65 | C60 | C61 | H80 | 179.1° | 179.7° |
| C60 | C65 | C64 | C63 | 0.0° | 0.6° |
| C60 | C65 | C64 | H83 | 180.0° | 179.7° |
| C61 | C62 | C63 | H81 | 180.0° | 180.0° |
| C61 | C62 | C63 | C64 | 0.9° | 0.0° |
| C61 | C62 | C63 | H82 | 179.1° | 180.0° |
| H80 | C61 | C62 | C63 | 178.8° | 180.0° |
| H80 | C61 | C62 | H81 | 1.1° | 0.0° |
| C62 | C63 | C64 | H82 | 180.0° | 180.0° |
| C62 | C63 | C64 | C65 | 0.3° | 0.3° |
| C62 | C63 | C64 | H83 | 179.7° | 180.0° |
| H81 | C62 | C63 | C64 | 179.1° | 179.9° |
| H81 | C62 | C63 | H82 | 0.9° | 0.0° |
| C63 | C64 | C65 | H83 | 180.0° | 179.7° |
| H82 | C63 | C64 | C65 | 179.7° | 179.7° |
| H82 | C63 | C64 | H83 | 0.3° | 0.0° |
| O18 | C66 | N16 | C67 | 1.0° | 0.5° |
| O18 | C66 | N16 | H84 | 179.0° | 179.6° |
| C67 | N16 | H84 | C66 | 180.0° | 179.9° |
| N16 | C67 | C68 | C72 | 122.6° | 119.4° |
| N16 | C67 | C68 | H85 | 119.3° | 120.3° |
| N16 | C67 | C72 | H85 | 119.8° | 119.9° |
| N16 | C67 | C68 | C69 | 175.0° | 66.0° |
| N16 | C67 | C68 | H86 | 64.2° | 54.0° |
| N16 | C67 | C68 | H87 | 54.2° | 174.0° |
| N16 | C67 | C72 | O19 | 132.6° | 16.3° |
| N16 | C67 | C72 | N17 | 48.2° | 163.6° |
| H84 | N16 | C67 | C68 | 15.8° | 153.8° |
| H84 | N16 | C67 | C72 | 106.2° | 34.0° |
| H84 | N16 | C67 | H85 | 134.5° | 85.9° |
| C68 | C67 | C72 | H85 | 118.2° | 120.2° |
| C67 | C68 | C69 | H86 | 120.8° | 120.0° |
| C67 | C68 | C69 | H87 | 120.8° | 120.0° |
| C67 | C68 | H86 | H87 | 117.6° | 120.0° |
| C67 | C68 | C69 | C70 | 55.6° | 65.4° |
| C67 | C68 | C69 | C71 | 178.9° | 174.6° |
| C67 | C68 | C69 | H88 | 64.0° | 54.6° |
| C68 | C67 | C72 | O19 | 105.3° | 136.1° |
| C68 | C67 | N16 | C66 | 164.2° | 26.3° |
| C68 | C67 | C72 | N17 | 73.9° | 43.8° |
| C72 | C67 | C68 | C69 | 62.5° | 53.4° |
| C72 | C67 | C68 | H86 | 58.3° | 173.4° |
| C72 | C67 | C68 | H87 | 176.7° | 66.6° |
| C67 | C72 | O19 | N17 | 179.2° | 179.9° |
| C67 | C72 | N17 | C73 | 170.2° | 179.8° |
| C67 | C72 | N17 | H95 | 9.8° | 0.3° |
| C72 | C67 | N16 | C66 | 73.8° | 146.1° |
| H85 | C67 | C68 | C69 | 55.7° | 173.7° |
| H85 | C67 | C68 | H86 | 176.5° | 66.3° |
| H85 | C67 | C68 | H87 | 65.1° | 53.7° |
| H85 | C67 | C72 | O19 | 12.9° | 103.7° |
| H85 | C67 | N16 | C66 | 45.5° | 94.0° |
| H85 | C67 | C72 | N17 | 167.9° | 76.4° |
| C69 | C68 | H86 | H87 | 117.6° | 120.0° |
| C68 | C69 | C70 | C71 | 122.4° | 120.0° |
| C68 | C69 | C70 | H88 | 119.7° | 120.0° |
| C68 | C69 | C71 | H88 | 117.1° | 120.0° |
| C68 | C69 | C70 | H89 | 180.0° | 58.0° |
| C68 | C69 | C70 | H90 | 60.0° | 178.0° |
| C68 | C69 | C70 | H91 | 60.0° | 61.9° |
| C68 | C69 | C71 | H92 | 180.0° | 60.0° |
| C68 | C69 | C71 | H93 | 60.0° | 180.0° |
| C68 | C69 | C71 | H94 | 60.0° | 60.0° |
| H86 | C68 | C69 | C70 | 176.4° | 54.6° |
| H86 | C68 | C69 | C71 | 60.3° | 65.4° |
| H86 | C68 | C69 | H88 | 56.8° | 174.6° |
| H87 | C68 | C69 | C70 | 65.2° | 174.6° |
| H87 | C68 | C69 | C71 | 58.1° | 54.6° |
| H87 | C68 | C69 | H88 | 175.2° | 65.4° |
| C70 | C69 | C71 | H88 | 117.7° | 120.0° |
| C69 | C70 | H89 | H90 | 120.0° | 120.0° |
| C69 | C70 | H89 | H91 | 120.0° | 119.9° |
| C69 | C70 | H90 | H91 | 120.0° | 120.0° |
| C70 | C69 | C71 | H92 | 54.8° | 180.0° |
| C70 | C69 | C71 | H93 | 174.8° | 60.0° |
| C70 | C69 | C71 | H94 | 65.2° | 60.0° |
| C71 | C69 | C70 | H89 | 57.6° | 62.0° |
| C71 | C69 | C70 | H90 | 62.4° | 58.0° |
| C71 | C69 | C70 | H91 | 177.6° | 178.1° |
| C69 | C71 | H92 | H93 | 120.0° | 119.9° |
| C69 | C71 | H92 | H94 | 120.0° | 120.0° |
| C69 | C71 | H93 | H94 | 120.0° | 120.0° |
| H88 | C69 | C70 | H89 | 60.3° | 178.0° |
| H88 | C69 | C70 | H90 | 179.7° | 62.0° |
| H88 | C69 | C70 | H91 | 59.7° | 58.0° |
| H88 | C69 | C71 | H92 | 62.9° | 60.0° |
| H88 | C69 | C71 | H93 | 57.1° | 60.0° |
| H88 | C69 | C71 | H94 | 177.0° | 180.0° |
| H89 | C70 | H90 | H91 | 120.0° | 120.1° |
| H92 | C71 | H93 | H94 | 120.0° | 120.0° |
| O19 | C72 | N17 | C73 | 10.6° | 0.1° |
| O19 | C72 | N17 | H95 | 169.4° | 179.8° |
| C73 | N17 | H95 | C72 | 180.0° | 179.9° |
| N17 | C73 | C74 | C75 | 119.2° | 119.1° |
| N17 | C73 | C74 | H96 | 121.0° | 120.4° |
| N17 | C73 | C75 | H96 | 119.5° | 119.8° |
| N17 | C73 | C74 | O20 | 127.9° | 93.8° |
| N17 | C73 | C75 | S2 | 178.9° | 174.8° |
| N17 | C73 | C75 | H97 | 60.4° | 65.2° |
| N17 | C73 | C75 | H98 | 58.2° | 54.8° |
| N17 | C73 | C74 | N18 | 50.9° | 86.1° |
| H95 | N17 | C73 | C74 | 135.7° | 177.1° |
| H95 | N17 | C73 | C75 | 15.0° | 63.1° |
| H95 | N17 | C73 | H96 | 104.0° | 56.7° |
| C74 | C73 | C75 | H96 | 119.7° | 120.4° |
| C73 | C74 | O20 | N18 | 178.6° | 180.0° |
| C74 | C73 | C75 | S2 | 60.3° | 65.4° |
| C74 | C73 | C75 | H97 | 60.4° | 54.6° |
| C74 | C73 | C75 | H98 | 179.0° | 174.5° |
| C73 | C74 | N18 | C76 | 180.0° | 180.0° |
| C73 | C74 | N18 | H99 | 0.0° | 0.0° |
| C74 | C73 | N17 | C72 | 44.3° | 2.8° |
| C75 | C73 | C74 | O20 | 113.0° | 25.3° |
| C73 | C75 | S2 | H97 | 120.7° | 120.0° |
| C73 | C75 | S2 | H98 | 120.7° | 120.0° |
| C73 | C75 | H97 | H98 | 117.8° | 120.0° |
| C73 | C75 | S2 | S1 | 81.1° | 172.2° |
| C75 | C73 | N17 | C72 | 165.0° | 117.0° |
| C75 | C73 | C74 | N18 | 68.3° | 154.7° |
| H96 | C73 | C74 | O20 | 6.9° | 145.8° |
| H96 | C73 | C75 | S2 | 59.4° | 55.0° |
| H96 | C73 | C75 | H97 | 179.9° | 175.0° |
| H96 | C73 | C75 | H98 | 61.3° | 65.0° |
| H96 | C73 | N17 | C72 | 76.0° | 123.2° |
| H96 | C73 | C74 | N18 | 171.8° | 34.2° |
| O20 | C74 | N18 | C76 | 1.3° | 0.0° |
| O20 | C74 | N18 | H99 | 178.7° | 180.0° |
| S2 | C75 | H97 | H98 | 117.9° | 120.0° |
| H97 | C75 | S2 | S1 | 158.2° | 67.9° |
| H98 | C75 | S2 | S1 | 39.6° | 52.1° |
| C76 | N18 | H99 | C74 | 180.0° | 180.0° |
| N18 | C76 | C77 | C78 | 127.4° | 120.0° |
| N18 | C76 | C77 | H100 | 116.6° | 120.0° |
| N18 | C76 | C78 | H100 | 119.3° | 120.0° |
| N18 | C76 | C77 | H101 | 180.0° | 60.0° |
| N18 | C76 | C77 | H102 | 60.0° | 60.0° |
| N18 | C76 | C77 | H103 | 60.0° | 180.0° |
| N18 | C76 | C78 | O21 | 144.2° | 0.0° |
| N18 | C76 | C78 | N19 | 37.3° | 180.0° |
| H99 | N18 | C76 | C77 | 6.9° | 95.0° |
| H99 | N18 | C76 | C78 | 118.0° | 25.0° |
| H99 | N18 | C76 | H100 | 123.1° | 145.0° |
| C77 | C76 | C78 | H100 | 116.0° | 120.0° |
| C76 | C77 | H101 | H102 | 120.0° | 120.0° |
| C76 | C77 | H101 | H103 | 120.0° | 120.0° |
| C76 | C77 | H102 | H103 | 120.0° | 119.9° |
| C77 | C76 | C78 | O21 | 91.1° | 120.0° |
| C77 | C76 | N18 | C74 | 173.1° | 85.0° |
| C77 | C76 | C78 | N19 | 87.4° | 60.0° |
| C78 | C76 | C77 | H101 | 52.6° | 60.0° |
| C78 | C76 | C77 | H102 | 67.4° | 179.9° |
| C78 | C76 | C77 | H103 | 172.7° | 60.0° |
| C76 | C78 | O21 | N19 | 178.4° | 180.0° |
| C76 | C78 | N19 | C79 | 180.0° | 180.0° |
| C76 | C78 | N19 | H104 | 0.0° | 0.0° |
| C78 | C76 | N18 | C74 | 61.9° | 155.0° |
| H100 | C76 | C77 | H101 | 63.4° | 180.0° |
| H100 | C76 | C77 | H102 | 176.6° | 59.9° |
| H100 | C76 | C77 | H103 | 56.7° | 60.0° |
| H100 | C76 | C78 | O21 | 24.9° | 120.0° |
| H100 | C76 | N18 | C74 | 56.9° | 35.0° |
| H100 | C76 | C78 | N19 | 156.6° | 60.0° |
| H101 | C77 | H102 | H103 | 120.0° | 120.0° |
| O21 | C78 | N19 | C79 | 1.6° | 0.0° |
| O21 | C78 | N19 | H104 | 178.4° | 180.0° |
| C79 | N19 | H104 | C78 | 180.0° | 180.0° |
| N19 | C79 | C80 | C81 | 123.7° | 119.9° |
| N19 | C79 | C80 | H105 | 118.4° | 120.0° |
| N19 | C79 | C81 | H105 | 119.7° | 120.0° |
| N19 | C79 | C80 | H106 | 180.0° | 60.0° |
| N19 | C79 | C80 | H107 | 60.0° | 60.0° |
| N19 | C79 | C80 | H108 | 60.0° | 180.0° |
| N19 | C79 | C81 | O22 | 153.1° | 0.0° |
| N19 | C79 | C81 | N20 | 27.2° | 180.0° |
| H104 | N19 | C79 | C80 | 10.4° | 95.0° |
| H104 | N19 | C79 | C81 | 112.2° | 25.0° |
| H104 | N19 | C79 | H105 | 128.5° | 145.0° |
| C80 | C79 | C81 | H105 | 118.0° | 120.1° |
| C79 | C80 | H106 | H107 | 120.0° | 120.0° |
| C79 | C80 | H106 | H108 | 120.0° | 120.0° |
| C79 | C80 | H107 | H108 | 120.0° | 120.0° |
| C80 | C79 | C81 | O22 | 84.6° | 120.0° |
| C80 | C79 | N19 | C78 | 169.6° | 85.0° |
| C80 | C79 | C81 | N20 | 95.1° | 60.0° |
| C81 | C79 | C80 | H106 | 56.2° | 60.0° |
| C81 | C79 | C80 | H107 | 63.8° | 179.9° |
| C81 | C79 | C80 | H108 | 176.2° | 60.1° |
| C79 | C81 | O22 | N20 | 179.7° | 180.0° |
| C79 | C81 | N20 | H109 | 179.7° | 0.0° |
| C79 | C81 | N20 | H110 | 0.3° | 180.0° |
| C81 | C79 | N19 | C78 | 67.8° | 155.0° |
| H105 | C79 | C80 | H106 | 61.6° | 180.0° |
| H105 | C79 | C80 | H107 | 178.4° | 60.0° |
| H105 | C79 | C80 | H108 | 58.4° | 60.0° |
| H105 | C79 | C81 | O22 | 33.4° | 119.9° |
| H105 | C79 | N19 | C78 | 51.5° | 35.0° |
| H105 | C79 | C81 | N20 | 146.9° | 60.0° |
| H106 | C80 | H107 | H108 | 120.0° | 120.0° |
| O22 | C81 | N20 | H109 | 0.0° | 180.0° |
| O22 | C81 | N20 | H110 | 180.0° | 0.0° |
| H109 | N20 | H110 | C81 | 180.0° | 180.0° |
