PRD_000199
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C1 | sing | 1.47Å | 1.47Å | |
| N1 | H1 | sing | 1.00Å | 1.00Å | |
| N1 | H2 | sing | 1.00Å | 1.00Å | |
| C1 | C2 | sing | 1.54Å | 1.54Å | |
| C1 | C3 | sing | 1.52Å | 1.52Å | |
| C1 | H3 | sing | 1.10Å | 1.10Å | |
| C2 | O1 | doub | 1.24Å | 1.24Å | |
| C3 | S1 | sing | 1.79Å | 1.79Å | |
| C3 | H4 | sing | 1.10Å | 1.10Å | |
| C3 | H5 | sing | 1.10Å | 1.10Å | |
| N2 | C4 | sing | 1.46Å | 1.46Å | |
| C4 | C5 | sing | 1.54Å | 1.54Å | |
| C4 | C6 | sing | 1.52Å | 1.52Å | |
| C5 | O2 | doub | 1.23Å | 1.23Å | |
| C6 | C7 | sing | 1.52Å | 1.52Å | |
| N2 | H6 | sing | 1.00Å | 1.00Å | |
| C4 | H7 | sing | 1.10Å | 1.10Å | |
| C6 | H8 | sing | 1.10Å | 1.10Å | |
| C7 | H9 | sing | 1.10Å | 1.10Å | |
| C7 | H10 | sing | 1.10Å | 1.10Å | |
| C7 | H11 | sing | 1.10Å | 1.10Å | |
| N3 | C8 | sing | 1.46Å | 1.46Å | |
| N3 | H12 | sing | 1.00Å | 1.00Å | |
| C8 | C9 | sing | 1.55Å | 1.55Å | |
| C8 | C10 | sing | 1.52Å | 1.52Å | |
| C8 | H13 | sing | 1.10Å | 1.10Å | |
| C9 | O3 | doub | 1.24Å | 1.24Å | |
| C10 | C11 | sing | 1.52Å | 1.52Å | |
| C10 | H14 | sing | 1.10Å | 1.10Å | |
| C10 | H15 | sing | 1.10Å | 1.10Å | |
| C11 | C12 | doub | 1.40Å | 1.40Å | Aromatic |
| C11 | C13 | sing | 1.38Å | 1.38Å | Aromatic |
| C12 | C14 | sing | 1.36Å | 1.36Å | Aromatic |
| C12 | H16 | sing | 1.08Å | 1.08Å | |
| C13 | C15 | doub | 1.39Å | 1.39Å | Aromatic |
| C13 | H17 | sing | 1.08Å | 1.08Å | |
| C14 | C16 | doub | 1.39Å | 1.39Å | Aromatic |
| C14 | H18 | sing | 1.08Å | 1.08Å | |
| C15 | C16 | sing | 1.37Å | 1.37Å | Aromatic |
| C15 | H19 | sing | 1.08Å | 1.08Å | |
| C16 | H20 | sing | 1.08Å | 1.08Å | |
| N4 | C17 | sing | 1.45Å | 1.45Å | |
| C17 | C18 | sing | 1.53Å | 1.53Å | |
| C17 | C19 | sing | 1.53Å | 1.53Å | |
| C18 | O4 | doub | 1.23Å | 1.23Å | |
| C19 | C20 | sing | 1.54Å | 1.54Å | |
| N4 | H21 | sing | 1.00Å | 1.00Å | |
| C17 | H22 | sing | 1.10Å | 1.10Å | |
| C19 | H23 | sing | 1.10Å | 1.10Å | |
| C20 | H24 | sing | 1.10Å | 1.10Å | |
| C20 | H25 | sing | 1.10Å | 1.10Å | |
| C20 | H26 | sing | 1.10Å | 1.10Å | |
| N5 | C21 | sing | 1.47Å | 1.47Å | |
| N5 | H27 | sing | 1.00Å | 1.00Å | |
| C21 | C22 | sing | 1.52Å | 1.52Å | |
| C21 | C23 | sing | 1.53Å | 1.53Å | |
| C21 | H28 | sing | 1.10Å | 1.10Å | |
| C22 | O5 | doub | 1.24Å | 1.24Å | |
| C23 | C24 | sing | 1.52Å | 1.52Å | |
| C23 | H29 | sing | 1.10Å | 1.10Å | |
| C23 | H30 | sing | 1.10Å | 1.10Å | |
| C24 | C25 | sing | 1.52Å | 1.52Å | |
| C24 | C26 | sing | 1.52Å | 1.52Å | |
| C24 | H31 | sing | 1.10Å | 1.10Å | |
| C25 | H32 | sing | 1.10Å | 1.10Å | |
| C25 | H33 | sing | 1.10Å | 1.10Å | |
| C25 | H34 | sing | 1.10Å | 1.10Å | |
| C26 | H35 | sing | 1.10Å | 1.10Å | |
| C26 | H36 | sing | 1.10Å | 1.10Å | |
| C26 | H37 | sing | 1.10Å | 1.10Å | |
| N6 | C27 | sing | 1.49Å | 1.49Å | |
| N6 | C31 | sing | 1.48Å | 1.48Å | |
| C27 | C28 | sing | 1.53Å | 1.53Å | |
| C27 | C29 | sing | 1.51Å | 1.51Å | |
| C27 | H38 | sing | 1.10Å | 1.10Å | |
| C28 | O6 | doub | 1.24Å | 1.24Å | |
| C29 | C30 | sing | 1.48Å | 1.48Å | |
| C29 | H39 | sing | 1.10Å | 1.10Å | |
| C29 | H40 | sing | 1.10Å | 1.10Å | |
| C30 | C31 | sing | 1.50Å | 1.50Å | |
| C30 | H41 | sing | 1.10Å | 1.10Å | |
| C30 | H42 | sing | 1.10Å | 1.10Å | |
| C31 | H43 | sing | 1.10Å | 1.10Å | |
| C31 | H44 | sing | 1.10Å | 1.10Å | |
| N7 | C32 | sing | 1.44Å | 1.44Å | |
| N7 | H45 | sing | 1.00Å | 1.00Å | |
| C32 | C33 | sing | 1.52Å | 1.52Å | |
| C32 | H46 | sing | 1.10Å | 1.10Å | |
| C32 | H47 | sing | 1.10Å | 1.10Å | |
| C33 | O7 | doub | 1.24Å | 1.24Å | |
| N8 | C34 | sing | 1.45Å | 1.45Å | |
| N8 | H48 | sing | 1.00Å | 1.00Å | |
| C34 | C35 | sing | 1.50Å | 1.50Å | |
| C34 | H49 | sing | 1.10Å | 1.10Å | |
| C34 | H50 | sing | 1.10Å | 1.10Å | |
| C35 | O8 | doub | 1.21Å | 1.21Å | |
| N9 | C36 | sing | 1.43Å | 1.43Å | |
| N9 | H51 | sing | 1.00Å | 1.00Å | |
| C36 | C37 | sing | 1.53Å | 1.53Å | |
| C36 | H52 | sing | 1.10Å | 1.10Å | |
| C36 | H53 | sing | 1.10Å | 1.10Å | |
| C37 | O9 | doub | 1.23Å | 1.23Å | |
| N10 | C38 | sing | 1.43Å | 1.43Å | |
| N10 | H54 | sing | 1.00Å | 1.00Å | |
| C38 | C39 | sing | 1.52Å | 1.52Å | |
| C38 | H55 | sing | 1.10Å | 1.10Å | |
| C38 | H56 | sing | 1.10Å | 1.10Å | |
| C39 | O10 | doub | 1.24Å | 1.24Å | |
| N11 | C40 | sing | 1.45Å | 1.45Å | |
| N11 | H57 | sing | 1.00Å | 1.00Å | |
| C40 | C41 | sing | 1.52Å | 1.52Å | |
| C40 | C42 | sing | 1.54Å | 1.54Å | |
| C40 | H58 | sing | 1.10Å | 1.10Å | |
| C41 | O11 | doub | 1.26Å | 1.26Å | |
| C42 | C43 | sing | 1.49Å | 1.49Å | |
| C42 | C44 | sing | 1.53Å | 1.53Å | |
| C42 | H59 | sing | 1.10Å | 1.10Å | |
| C43 | H60 | sing | 1.10Å | 1.10Å | |
| C43 | H61 | sing | 1.10Å | 1.10Å | |
| C43 | H62 | sing | 1.10Å | 1.10Å | |
| C44 | H63 | sing | 1.10Å | 1.10Å | |
| C44 | H64 | sing | 1.10Å | 1.10Å | |
| C44 | H65 | sing | 1.10Å | 1.10Å | |
| N12 | C45 | sing | 1.48Å | 1.48Å | |
| N12 | H66 | sing | 1.00Å | 1.00Å | |
| C45 | C46 | sing | 1.53Å | 1.53Å | |
| C45 | C47 | sing | 1.54Å | 1.54Å | |
| C45 | H67 | sing | 1.10Å | 1.10Å | |
| C46 | O12 | doub | 1.22Å | 1.22Å | |
| C47 | S2 | sing | 1.80Å | 1.80Å | |
| C47 | H68 | sing | 1.10Å | 1.10Å | |
| C47 | H69 | sing | 1.10Å | 1.10Å | |
| N13 | C48 | sing | 1.46Å | 1.46Å | |
| C48 | C49 | sing | 1.52Å | 1.52Å | |
| C48 | C50 | sing | 1.53Å | 1.53Å | |
| C49 | O13 | doub | 1.24Å | 1.24Å | |
| C50 | C51 | sing | 1.52Å | 1.52Å | |
| N13 | H70 | sing | 1.00Å | 1.00Å | |
| C48 | H71 | sing | 1.10Å | 1.10Å | |
| C50 | H72 | sing | 1.10Å | 1.10Å | |
| C51 | H73 | sing | 1.10Å | 1.10Å | |
| C51 | H74 | sing | 1.10Å | 1.10Å | |
| C51 | H75 | sing | 1.10Å | 1.10Å | |
| N14 | C52 | sing | 1.48Å | 1.48Å | |
| N14 | H76 | sing | 1.00Å | 1.00Å | |
| C52 | C53 | sing | 1.51Å | 1.51Å | |
| C52 | C54 | sing | 1.55Å | 1.55Å | |
| C52 | H77 | sing | 1.10Å | 1.10Å | |
| C53 | O14 | doub | 1.24Å | 1.24Å | |
| C54 | C55 | sing | 1.52Å | 1.52Å | |
| C54 | H78 | sing | 1.10Å | 1.10Å | |
| C54 | H79 | sing | 1.10Å | 1.10Å | |
| C55 | C56 | sing | 1.52Å | 1.52Å | |
| C55 | C57 | sing | 1.51Å | 1.51Å | |
| C55 | H80 | sing | 1.10Å | 1.10Å | |
| C56 | H81 | sing | 1.10Å | 1.10Å | |
| C56 | H82 | sing | 1.10Å | 1.10Å | |
| C56 | H83 | sing | 1.10Å | 1.10Å | |
| C57 | H84 | sing | 1.10Å | 1.10Å | |
| C57 | H85 | sing | 1.10Å | 1.10Å | |
| C57 | H86 | sing | 1.10Å | 1.10Å | |
| N15 | C58 | sing | 1.44Å | 1.44Å | |
| C58 | C59 | sing | 1.54Å | 1.54Å | |
| C58 | C60 | sing | 1.51Å | 1.51Å | |
| C59 | O15 | doub | 1.22Å | 1.22Å | |
| C60 | C61 | sing | 1.54Å | 1.54Å | |
| N15 | H87 | sing | 1.00Å | 1.00Å | |
| C58 | H88 | sing | 1.10Å | 1.10Å | |
| C60 | H89 | sing | 1.10Å | 1.10Å | |
| C61 | H90 | sing | 1.10Å | 1.10Å | |
| C61 | H91 | sing | 1.10Å | 1.10Å | |
| C61 | H92 | sing | 1.10Å | 1.10Å | |
| N16 | C62 | sing | 1.44Å | 1.44Å | |
| N16 | H93 | sing | 1.00Å | 1.00Å | |
| C62 | C63 | doub | 1.33Å | 1.33Å | |
| C62 | C64 | sing | 1.44Å | 1.44Å | |
| C63 | H94 | sing | 1.08Å | 1.08Å | |
| C63 | H95 | sing | 1.08Å | 1.08Å | |
| C64 | O16 | doub | 1.24Å | 1.24Å | |
| N17 | C65 | sing | 1.44Å | 1.44Å | |
| N17 | H96 | sing | 1.00Å | 1.00Å | |
| C65 | C66 | sing | 1.52Å | 1.52Å | |
| C65 | C67 | sing | 1.51Å | 1.51Å | |
| C65 | H97 | sing | 1.10Å | 1.10Å | |
| C66 | O17 | doub | 1.22Å | 1.22Å | |
| C67 | C68 | sing | 1.50Å | 1.50Å | |
| C67 | H98 | sing | 1.10Å | 1.10Å | |
| C67 | H99 | sing | 1.10Å | 1.10Å | |
| C68 | C69 | sing | 1.51Å | 1.51Å | |
| C68 | H100 | sing | 1.10Å | 1.10Å | |
| C68 | H101 | sing | 1.10Å | 1.10Å | |
| C69 | O18 | doub | 1.24Å | 1.24Å | |
| C69 | O19 | sing | 1.24Å | 1.24Å | |
| O19 | H102 | sing | 0.95Å | 0.95Å | |
| N18 | C70 | sing | 1.44Å | 1.44Å | |
| N18 | H103 | sing | 1.00Å | 1.00Å | |
| C70 | C71 | sing | 1.49Å | 1.49Å | |
| C70 | C72 | sing | 1.52Å | 1.52Å | |
| C70 | H104 | sing | 1.10Å | 1.10Å | |
| C71 | O20 | doub | 1.28Å | 1.28Å | |
| C72 | S3 | sing | 1.82Å | 1.82Å | |
| C72 | H105 | sing | 1.10Å | 1.10Å | |
| C72 | H106 | sing | 1.10Å | 1.10Å | |
| N19 | C73 | sing | 1.47Å | 1.47Å | |
| N19 | H107 | sing | 1.00Å | 1.00Å | |
| C73 | C74 | sing | 1.51Å | 1.51Å | |
| C73 | C75 | sing | 1.52Å | 1.52Å | |
| C73 | H108 | sing | 1.10Å | 1.10Å | |
| C74 | O21 | doub | 1.24Å | 1.24Å | |
| C75 | C76 | sing | 1.53Å | 1.53Å | |
| C75 | C77 | sing | 1.52Å | 1.52Å | |
| C75 | H109 | sing | 1.10Å | 1.10Å | |
| C76 | C78 | sing | 1.49Å | 1.49Å | |
| C76 | H110 | sing | 1.10Å | 1.10Å | |
| C76 | H111 | sing | 1.10Å | 1.10Å | |
| C77 | H112 | sing | 1.10Å | 1.10Å | |
| C77 | H113 | sing | 1.10Å | 1.10Å | |
| C77 | H114 | sing | 1.10Å | 1.10Å | |
| C78 | H115 | sing | 1.10Å | 1.10Å | |
| C78 | H116 | sing | 1.10Å | 1.10Å | |
| C78 | H117 | sing | 1.10Å | 1.10Å | |
| N20 | C80 | sing | 1.42Å | 1.42Å | |
| N20 | H118 | sing | 1.00Å | 1.00Å | |
| C79 | C80 | doub | 1.30Å | 1.30Å | |
| C79 | S4 | sing | 1.70Å | 1.70Å | |
| C79 | H119 | sing | 1.08Å | 1.08Å | |
| C80 | H120 | sing | 1.08Å | 1.08Å | |
| C2 | N2 | sing | 1.32Å | 1.32Å | |
| S1 | C6 | sing | 1.79Å | 1.79Å | |
| C5 | N3 | sing | 1.34Å | 1.34Å | |
| C9 | N4 | sing | 1.32Å | 1.32Å | |
| C18 | N5 | sing | 1.34Å | 1.34Å | |
| C19 | S2 | sing | 1.81Å | 1.81Å | |
| C46 | N13 | sing | 1.32Å | 1.32Å | |
| C49 | N14 | sing | 1.33Å | 1.33Å | |
| C50 | S3 | sing | 1.80Å | 1.80Å | |
| C53 | N15 | sing | 1.33Å | 1.33Å | |
| C59 | N16 | sing | 1.33Å | 1.33Å | |
| C60 | S4 | sing | 1.83Å | 1.83Å | |
| C64 | N17 | sing | 1.36Å | 1.36Å | |
| C74 | N20 | sing | 1.34Å | 1.34Å | |
| C22 | N6 | sing | 1.31Å | 1.31Å | |
| C28 | N7 | sing | 1.33Å | 1.33Å | |
| C33 | N8 | sing | 1.31Å | 1.31Å | |
| C35 | N9 | sing | 1.33Å | 1.33Å | |
| C37 | N10 | sing | 1.29Å | 1.29Å | |
| C39 | N11 | sing | 1.32Å | 1.32Å | |
| C41 | N12 | sing | 1.33Å | 1.33Å | |
| C66 | N18 | sing | 1.32Å | 1.32Å | |
| C71 | N19 | sing | 1.31Å | 1.31Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | N1 | H1 | 109.5° | 109.5° |
| C1 | N1 | H2 | 109.4° | 109.4° |
| N1 | C1 | C2 | 109.3° | 109.3° |
| N1 | C1 | C3 | 110.8° | 110.8° |
| N1 | C1 | H3 | 108.5° | 108.5° |
| H1 | N1 | H2 | 109.5° | 109.5° |
| C2 | C1 | C3 | 112.6° | 112.6° |
| C2 | C1 | H3 | 107.6° | 107.6° |
| C1 | C2 | O1 | 118.6° | 118.6° |
| C1 | C2 | N2 | 118.9° | 118.9° |
| C3 | C1 | H3 | 107.9° | 107.9° |
| C1 | C3 | S1 | 112.8° | 112.8° |
| C1 | C3 | H4 | 108.6° | 108.6° |
| C1 | C3 | H5 | 108.6° | 108.6° |
| O1 | C2 | N2 | 122.5° | 122.5° |
| S1 | C3 | H4 | 108.6° | 108.7° |
| S1 | C3 | H5 | 108.6° | 108.6° |
| C3 | S1 | C6 | 103.9° | 103.9° |
| H4 | C3 | H5 | 109.5° | 109.4° |
| N2 | C4 | C5 | 110.8° | 110.8° |
| N2 | C4 | C6 | 115.0° | 115.0° |
| C4 | N2 | H6 | 114.2° | 114.2° |
| N2 | C4 | H7 | 106.1° | 106.1° |
| C4 | N2 | C2 | 131.5° | 131.5° |
| C5 | C4 | C6 | 113.3° | 113.3° |
| C4 | C5 | O2 | 119.2° | 119.2° |
| C5 | C4 | H7 | 105.3° | 105.2° |
| C4 | C5 | N3 | 115.4° | 115.4° |
| C4 | C6 | C7 | 113.4° | 113.4° |
| C6 | C4 | H7 | 105.5° | 105.5° |
| C4 | C6 | H8 | 105.8° | 105.8° |
| C4 | C6 | S1 | 115.0° | 115.0° |
| O2 | C5 | N3 | 125.3° | 125.3° |
| C7 | C6 | H8 | 105.8° | 105.8° |
| C6 | C7 | H9 | 109.5° | 109.5° |
| C6 | C7 | H10 | 109.5° | 109.5° |
| C6 | C7 | H11 | 109.5° | 109.5° |
| C7 | C6 | S1 | 112.5° | 112.5° |
| H6 | N2 | C2 | 114.3° | 114.3° |
| H8 | C6 | S1 | 103.3° | 103.3° |
| H9 | C7 | H10 | 109.5° | 109.5° |
| H9 | C7 | H11 | 109.5° | 109.5° |
| H10 | C7 | H11 | 109.5° | 109.5° |
| C8 | N3 | H12 | 119.3° | 119.3° |
| N3 | C8 | C9 | 110.3° | 110.3° |
| N3 | C8 | C10 | 108.3° | 108.3° |
| N3 | C8 | H13 | 109.3° | 109.3° |
| C8 | N3 | C5 | 121.3° | 121.3° |
| H12 | N3 | C5 | 119.4° | 119.4° |
| C9 | C8 | C10 | 112.2° | 112.2° |
| C9 | C8 | H13 | 108.1° | 108.1° |
| C8 | C9 | O3 | 118.1° | 118.1° |
| C8 | C9 | N4 | 116.7° | 116.7° |
| C10 | C8 | H13 | 108.5° | 108.5° |
| C8 | C10 | C11 | 112.3° | 112.3° |
| C8 | C10 | H14 | 108.7° | 108.7° |
| C8 | C10 | H15 | 108.8° | 108.8° |
| O3 | C9 | N4 | 125.2° | 125.2° |
| C11 | C10 | H14 | 108.7° | 108.7° |
| C11 | C10 | H15 | 108.7° | 108.7° |
| C10 | C11 | C12 | 120.6° | 120.6° |
| C10 | C11 | C13 | 121.4° | 121.4° |
| H14 | C10 | H15 | 109.5° | 109.5° |
| C12 | C11 | C13 | 118.0° | 118.0° |
| C11 | C12 | C14 | 121.0° | 121.0° |
| C11 | C12 | H16 | 119.5° | 119.5° |
| C11 | C13 | C15 | 121.6° | 121.6° |
| C11 | C13 | H17 | 119.2° | 119.2° |
| C14 | C12 | H16 | 119.5° | 119.5° |
| C12 | C14 | C16 | 119.6° | 119.6° |
| C12 | C14 | H18 | 120.2° | 120.2° |
| C15 | C13 | H17 | 119.2° | 119.2° |
| C13 | C15 | C16 | 118.7° | 118.7° |
| C13 | C15 | H19 | 120.6° | 120.6° |
| C16 | C14 | H18 | 120.2° | 120.2° |
| C14 | C16 | C15 | 121.1° | 121.1° |
| C14 | C16 | H20 | 119.5° | 119.5° |
| C16 | C15 | H19 | 120.6° | 120.6° |
| C15 | C16 | H20 | 119.4° | 119.4° |
| N4 | C17 | C18 | 114.4° | 114.4° |
| N4 | C17 | C19 | 111.9° | 111.9° |
| C17 | N4 | H21 | 118.2° | 118.2° |
| N4 | C17 | H22 | 106.4° | 106.4° |
| C17 | N4 | C9 | 123.6° | 123.6° |
| C18 | C17 | C19 | 112.1° | 112.1° |
| C17 | C18 | O4 | 121.3° | 121.3° |
| C18 | C17 | H22 | 105.6° | 105.6° |
| C17 | C18 | N5 | 114.3° | 114.3° |
| C17 | C19 | C20 | 109.2° | 109.2° |
| C19 | C17 | H22 | 105.6° | 105.6° |
| C17 | C19 | H23 | 109.4° | 109.4° |
| C17 | C19 | S2 | 112.5° | 112.5° |
| O4 | C18 | N5 | 124.3° | 124.3° |
| C20 | C19 | H23 | 109.2° | 109.2° |
| C19 | C20 | H24 | 109.5° | 109.5° |
| C19 | C20 | H25 | 109.5° | 109.5° |
| C19 | C20 | H26 | 109.5° | 109.5° |
| C20 | C19 | S2 | 110.2° | 110.2° |
| H21 | N4 | C9 | 118.2° | 118.2° |
| H23 | C19 | S2 | 106.3° | 106.3° |
| H24 | C20 | H25 | 109.4° | 109.5° |
| H24 | C20 | H26 | 109.4° | 109.4° |
| H25 | C20 | H26 | 109.5° | 109.4° |
| C21 | N5 | H27 | 118.4° | 118.4° |
| N5 | C21 | C22 | 111.5° | 111.5° |
| N5 | C21 | C23 | 109.1° | 109.1° |
| N5 | C21 | H28 | 109.0° | 109.0° |
| C21 | N5 | C18 | 123.1° | 123.1° |
| H27 | N5 | C18 | 118.4° | 118.4° |
| C22 | C21 | C23 | 110.4° | 110.4° |
| C22 | C21 | H28 | 108.5° | 108.5° |
| C21 | C22 | O5 | 120.4° | 120.4° |
| C21 | C22 | N6 | 119.4° | 119.4° |
| C23 | C21 | H28 | 108.2° | 108.2° |
| C21 | C23 | C24 | 117.2° | 117.2° |
| C21 | C23 | H29 | 107.5° | 107.5° |
| C21 | C23 | H30 | 107.5° | 107.5° |
| O5 | C22 | N6 | 120.2° | 120.2° |
| C24 | C23 | H29 | 107.5° | 107.5° |
| C24 | C23 | H30 | 107.5° | 107.5° |
| C23 | C24 | C25 | 112.4° | 112.4° |
| C23 | C24 | C26 | 112.6° | 112.6° |
| C23 | C24 | H31 | 107.5° | 107.5° |
| H29 | C23 | H30 | 109.5° | 109.5° |
| C25 | C24 | C26 | 108.9° | 108.9° |
| C25 | C24 | H31 | 107.6° | 107.6° |
| C24 | C25 | H32 | 109.5° | 109.5° |
| C24 | C25 | H33 | 109.5° | 109.5° |
| C24 | C25 | H34 | 109.4° | 109.4° |
| C26 | C24 | H31 | 107.5° | 107.5° |
| C24 | C26 | H35 | 109.5° | 109.5° |
| C24 | C26 | H36 | 109.5° | 109.5° |
| C24 | C26 | H37 | 109.5° | 109.5° |
| H32 | C25 | H33 | 109.5° | 109.5° |
| H32 | C25 | H34 | 109.5° | 109.5° |
| H33 | C25 | H34 | 109.5° | 109.5° |
| H35 | C26 | H36 | 109.5° | 109.5° |
| H35 | C26 | H37 | 109.5° | 109.5° |
| H36 | C26 | H37 | 109.5° | 109.5° |
| C27 | N6 | C31 | 113.3° | 113.3° |
| N6 | C27 | C28 | 111.3° | 111.3° |
| N6 | C27 | C29 | 102.8° | 102.8° |
| N6 | C27 | H38 | 110.4° | 110.4° |
| C27 | N6 | C22 | 120.3° | 120.3° |
| N6 | C31 | C30 | 100.5° | 100.5° |
| N6 | C31 | H43 | 111.7° | 111.7° |
| N6 | C31 | H44 | 111.7° | 111.7° |
| C31 | N6 | C22 | 126.3° | 126.3° |
| C28 | C27 | C29 | 112.3° | 112.3° |
| C28 | C27 | H38 | 109.9° | 109.9° |
| C27 | C28 | O6 | 122.5° | 122.5° |
| C27 | C28 | N7 | 113.3° | 113.3° |
| C29 | C27 | H38 | 110.0° | 110.0° |
| C27 | C29 | C30 | 104.9° | 104.9° |
| C27 | C29 | H39 | 110.6° | 110.6° |
| C27 | C29 | H40 | 110.6° | 110.6° |
| O6 | C28 | N7 | 124.0° | 124.0° |
| C30 | C29 | H39 | 110.6° | 110.6° |
| C30 | C29 | H40 | 110.6° | 110.6° |
| C29 | C30 | C31 | 107.9° | 107.9° |
| C29 | C30 | H41 | 109.9° | 109.9° |
| C29 | C30 | H42 | 109.9° | 109.9° |
| H39 | C29 | H40 | 109.5° | 109.5° |
| C31 | C30 | H41 | 109.9° | 109.9° |
| C31 | C30 | H42 | 109.9° | 109.9° |
| C30 | C31 | H43 | 111.7° | 111.7° |
| C30 | C31 | H44 | 111.7° | 111.7° |
| H41 | C30 | H42 | 109.5° | 109.5° |
| H43 | C31 | H44 | 109.5° | 109.5° |
| C32 | N7 | H45 | 119.2° | 119.2° |
| N7 | C32 | C33 | 109.7° | 109.7° |
| N7 | C32 | H46 | 109.4° | 109.4° |
| N7 | C32 | H47 | 109.4° | 109.4° |
| C32 | N7 | C28 | 121.7° | 121.7° |
| H45 | N7 | C28 | 119.1° | 119.1° |
| C33 | C32 | H46 | 109.4° | 109.4° |
| C33 | C32 | H47 | 109.4° | 109.4° |
| C32 | C33 | O7 | 118.9° | 118.9° |
| C32 | C33 | N8 | 115.1° | 115.1° |
| H46 | C32 | H47 | 109.4° | 109.4° |
| O7 | C33 | N8 | 126.0° | 126.0° |
| C34 | N8 | H48 | 118.9° | 118.9° |
| N8 | C34 | C35 | 115.2° | 115.2° |
| N8 | C34 | H49 | 108.1° | 108.1° |
| N8 | C34 | H50 | 108.0° | 108.0° |
| C34 | N8 | C33 | 122.3° | 122.3° |
| H48 | N8 | C33 | 118.8° | 118.8° |
| C35 | C34 | H49 | 108.0° | 108.0° |
| C35 | C34 | H50 | 108.0° | 108.0° |
| C34 | C35 | O8 | 122.4° | 122.4° |
| C34 | C35 | N9 | 116.5° | 116.5° |
| H49 | C34 | H50 | 109.4° | 109.4° |
| O8 | C35 | N9 | 121.1° | 121.1° |
| C36 | N9 | H51 | 120.4° | 120.4° |
| N9 | C36 | C37 | 105.8° | 105.8° |
| N9 | C36 | H52 | 110.4° | 110.4° |
| N9 | C36 | H53 | 110.4° | 110.4° |
| C36 | N9 | C35 | 119.1° | 119.1° |
| H51 | N9 | C35 | 120.5° | 120.5° |
| C37 | C36 | H52 | 110.4° | 110.4° |
| C37 | C36 | H53 | 110.4° | 110.3° |
| C36 | C37 | O9 | 129.4° | 129.4° |
| C36 | C37 | N10 | 109.2° | 109.2° |
| H52 | C36 | H53 | 109.5° | 109.5° |
| O9 | C37 | N10 | 121.4° | 121.4° |
| C38 | N10 | H54 | 118.8° | 118.8° |
| N10 | C38 | C39 | 109.8° | 109.8° |
| N10 | C38 | H55 | 109.4° | 109.4° |
| N10 | C38 | H56 | 109.4° | 109.4° |
| C38 | N10 | C37 | 122.3° | 122.3° |
| H54 | N10 | C37 | 118.9° | 118.9° |
| C39 | C38 | H55 | 109.4° | 109.4° |
| C39 | C38 | H56 | 109.4° | 109.4° |
| C38 | C39 | O10 | 126.0° | 126.0° |
| C38 | C39 | N11 | 113.3° | 113.3° |
| H55 | C38 | H56 | 109.5° | 109.5° |
| O10 | C39 | N11 | 120.8° | 120.8° |
| C40 | N11 | H57 | 120.4° | 120.4° |
| N11 | C40 | C41 | 111.0° | 111.0° |
| N11 | C40 | C42 | 107.5° | 107.5° |
| N11 | C40 | H58 | 109.6° | 109.6° |
| C40 | N11 | C39 | 119.2° | 119.2° |
| H57 | N11 | C39 | 120.4° | 120.4° |
| C41 | C40 | C42 | 111.4° | 111.4° |
| C41 | C40 | H58 | 108.8° | 108.8° |
| C40 | C41 | O11 | 122.3° | 122.3° |
| C40 | C41 | N12 | 117.0° | 117.0° |
| C42 | C40 | H58 | 108.5° | 108.5° |
| C40 | C42 | C43 | 111.3° | 111.3° |
| C40 | C42 | C44 | 111.2° | 111.2° |
| C40 | C42 | H59 | 107.3° | 107.3° |
| O11 | C41 | N12 | 120.7° | 120.7° |
| C43 | C42 | C44 | 111.5° | 111.5° |
| C43 | C42 | H59 | 107.9° | 107.9° |
| C42 | C43 | H60 | 109.5° | 109.5° |
| C42 | C43 | H61 | 109.5° | 109.5° |
| C42 | C43 | H62 | 109.5° | 109.5° |
| C44 | C42 | H59 | 107.4° | 107.4° |
| C42 | C44 | H63 | 109.5° | 109.5° |
| C42 | C44 | H64 | 109.5° | 109.5° |
| C42 | C44 | H65 | 109.4° | 109.4° |
| H60 | C43 | H61 | 109.4° | 109.5° |
| H60 | C43 | H62 | 109.4° | 109.4° |
| H61 | C43 | H62 | 109.5° | 109.4° |
| H63 | C44 | H64 | 109.5° | 109.5° |
| H63 | C44 | H65 | 109.5° | 109.5° |
| H64 | C44 | H65 | 109.5° | 109.5° |
| C45 | N12 | H66 | 119.1° | 119.1° |
| N12 | C45 | C46 | 107.9° | 107.9° |
| N12 | C45 | C47 | 109.0° | 109.0° |
| N12 | C45 | H67 | 109.8° | 109.8° |
| C45 | N12 | C41 | 121.9° | 121.9° |
| H66 | N12 | C41 | 119.0° | 119.1° |
| C46 | C45 | C47 | 111.9° | 111.9° |
| C46 | C45 | H67 | 109.2° | 109.2° |
| C45 | C46 | O12 | 119.6° | 119.6° |
| C45 | C46 | N13 | 115.0° | 115.0° |
| C47 | C45 | H67 | 109.0° | 109.0° |
| C45 | C47 | S2 | 109.8° | 109.8° |
| C45 | C47 | H68 | 109.4° | 109.4° |
| C45 | C47 | H69 | 109.4° | 109.4° |
| O12 | C46 | N13 | 125.4° | 125.4° |
| S2 | C47 | H68 | 109.4° | 109.4° |
| S2 | C47 | H69 | 109.4° | 109.4° |
| C47 | S2 | C19 | 102.7° | 102.7° |
| H68 | C47 | H69 | 109.4° | 109.4° |
| N13 | C48 | C49 | 115.0° | 115.0° |
| N13 | C48 | C50 | 111.1° | 111.1° |
| C48 | N13 | H70 | 120.7° | 120.7° |
| N13 | C48 | H71 | 106.9° | 106.9° |
| C48 | N13 | C46 | 118.6° | 118.6° |
| C49 | C48 | C50 | 111.1° | 111.1° |
| C48 | C49 | O13 | 118.6° | 118.6° |
| C49 | C48 | H71 | 106.2° | 106.2° |
| C48 | C49 | N14 | 116.5° | 116.5° |
| C48 | C50 | C51 | 110.9° | 110.9° |
| C50 | C48 | H71 | 106.0° | 106.0° |
| C48 | C50 | H72 | 108.4° | 108.4° |
| C48 | C50 | S3 | 113.4° | 113.4° |
| O13 | C49 | N14 | 124.8° | 124.8° |
| C51 | C50 | H72 | 108.5° | 108.5° |
| C50 | C51 | H73 | 109.5° | 109.5° |
| C50 | C51 | H74 | 109.5° | 109.5° |
| C50 | C51 | H75 | 109.5° | 109.5° |
| C51 | C50 | S3 | 110.0° | 110.0° |
| H70 | N13 | C46 | 120.7° | 120.7° |
| H72 | C50 | S3 | 105.5° | 105.5° |
| H73 | C51 | H74 | 109.5° | 109.5° |
| H73 | C51 | H75 | 109.5° | 109.5° |
| H74 | C51 | H75 | 109.4° | 109.4° |
| C52 | N14 | H76 | 119.5° | 119.5° |
| N14 | C52 | C53 | 108.5° | 108.5° |
| N14 | C52 | C54 | 106.1° | 106.1° |
| N14 | C52 | H77 | 111.4° | 111.4° |
| C52 | N14 | C49 | 120.9° | 120.9° |
| H76 | N14 | C49 | 119.6° | 119.6° |
| C53 | C52 | C54 | 109.5° | 109.5° |
| C53 | C52 | H77 | 110.9° | 110.9° |
| C52 | C53 | O14 | 120.5° | 120.5° |
| C52 | C53 | N15 | 115.2° | 115.2° |
| C54 | C52 | H77 | 110.4° | 110.4° |
| C52 | C54 | C55 | 114.1° | 114.1° |
| C52 | C54 | H78 | 108.3° | 108.3° |
| C52 | C54 | H79 | 108.3° | 108.3° |
| O14 | C53 | N15 | 124.4° | 124.4° |
| C55 | C54 | H78 | 108.3° | 108.3° |
| C55 | C54 | H79 | 108.3° | 108.3° |
| C54 | C55 | C56 | 111.0° | 111.0° |
| C54 | C55 | C57 | 110.0° | 110.0° |
| C54 | C55 | H80 | 107.2° | 107.2° |
| H78 | C54 | H79 | 109.4° | 109.4° |
| C56 | C55 | C57 | 113.7° | 113.7° |
| C56 | C55 | H80 | 107.3° | 107.3° |
| C55 | C56 | H81 | 109.5° | 109.5° |
| C55 | C56 | H82 | 109.4° | 109.4° |
| C55 | C56 | H83 | 109.4° | 109.4° |
| C57 | C55 | H80 | 107.3° | 107.3° |
| C55 | C57 | H84 | 109.5° | 109.5° |
| C55 | C57 | H85 | 109.4° | 109.4° |
| C55 | C57 | H86 | 109.5° | 109.4° |
| H81 | C56 | H82 | 109.5° | 109.5° |
| H81 | C56 | H83 | 109.5° | 109.5° |
| H82 | C56 | H83 | 109.5° | 109.5° |
| H84 | C57 | H85 | 109.5° | 109.5° |
| H84 | C57 | H86 | 109.4° | 109.5° |
| H85 | C57 | H86 | 109.5° | 109.5° |
| N15 | C58 | C59 | 110.6° | 110.6° |
| N15 | C58 | C60 | 113.3° | 113.3° |
| C58 | N15 | H87 | 118.7° | 118.7° |
| N15 | C58 | H88 | 106.6° | 106.6° |
| C58 | N15 | C53 | 122.6° | 122.6° |
| C59 | C58 | C60 | 114.5° | 114.5° |
| C58 | C59 | O15 | 120.3° | 120.3° |
| C59 | C58 | H88 | 105.4° | 105.4° |
| C58 | C59 | N16 | 114.7° | 114.7° |
| C58 | C60 | C61 | 112.6° | 112.6° |
| C60 | C58 | H88 | 105.7° | 105.7° |
| C58 | C60 | H89 | 108.9° | 108.9° |
| C58 | C60 | S4 | 112.0° | 112.0° |
| O15 | C59 | N16 | 125.0° | 125.0° |
| C61 | C60 | H89 | 108.7° | 108.7° |
| C60 | C61 | H90 | 109.5° | 109.5° |
| C60 | C61 | H91 | 109.5° | 109.5° |
| C60 | C61 | H92 | 109.4° | 109.4° |
| C61 | C60 | S4 | 108.8° | 108.8° |
| H87 | N15 | C53 | 118.7° | 118.7° |
| H89 | C60 | S4 | 105.6° | 105.6° |
| H90 | C61 | H91 | 109.5° | 109.5° |
| H90 | C61 | H92 | 109.5° | 109.5° |
| H91 | C61 | H92 | 109.5° | 109.5° |
| C62 | N16 | H93 | 120.4° | 120.4° |
| N16 | C62 | C63 | 120.4° | 120.4° |
| N16 | C62 | C64 | 117.6° | 117.6° |
| C62 | N16 | C59 | 119.2° | 119.2° |
| H93 | N16 | C59 | 120.4° | 120.4° |
| C63 | C62 | C64 | 121.9° | 121.9° |
| C62 | C63 | H94 | 120.0° | 120.0° |
| C62 | C63 | H95 | 120.0° | 120.0° |
| C62 | C64 | O16 | 119.8° | 119.8° |
| C62 | C64 | N17 | 120.3° | 120.3° |
| H94 | C63 | H95 | 120.0° | 120.0° |
| O16 | C64 | N17 | 119.9° | 119.9° |
| C65 | N17 | H96 | 118.8° | 118.8° |
| N17 | C65 | C66 | 113.7° | 113.7° |
| N17 | C65 | C67 | 115.7° | 115.7° |
| N17 | C65 | H97 | 105.1° | 105.1° |
| C65 | N17 | C64 | 122.4° | 122.4° |
| H96 | N17 | C64 | 118.8° | 118.8° |
| C66 | C65 | C67 | 112.2° | 112.2° |
| C66 | C65 | H97 | 104.3° | 104.3° |
| C65 | C66 | O17 | 118.3° | 118.3° |
| C65 | C66 | N18 | 117.5° | 117.5° |
| C67 | C65 | H97 | 104.4° | 104.4° |
| C65 | C67 | C68 | 116.0° | 116.0° |
| C65 | C67 | H98 | 107.8° | 107.8° |
| C65 | C67 | H99 | 107.8° | 107.8° |
| O17 | C66 | N18 | 124.1° | 124.1° |
| C68 | C67 | H98 | 107.8° | 107.8° |
| C68 | C67 | H99 | 107.8° | 107.8° |
| C67 | C68 | C69 | 117.3° | 117.3° |
| C67 | C68 | H100 | 107.5° | 107.5° |
| C67 | C68 | H101 | 107.5° | 107.5° |
| H98 | C67 | H99 | 109.5° | 109.5° |
| C69 | C68 | H100 | 107.5° | 107.5° |
| C69 | C68 | H101 | 107.5° | 107.5° |
| C68 | C69 | O18 | 126.4° | 126.4° |
| C68 | C69 | O19 | 112.5° | 112.5° |
| H100 | C68 | H101 | 109.5° | 109.5° |
| O18 | C69 | O19 | 121.2° | 121.2° |
| C69 | O19 | H102 | 109.5° | 109.5° |
| C70 | N18 | H103 | 115.1° | 115.1° |
| N18 | C70 | C71 | 110.0° | 110.0° |
| N18 | C70 | C72 | 111.8° | 111.8° |
| N18 | C70 | H104 | 105.5° | 105.5° |
| C70 | N18 | C66 | 129.7° | 129.7° |
| H103 | N18 | C66 | 115.1° | 115.1° |
| C71 | C70 | C72 | 118.8° | 118.8° |
| C71 | C70 | H104 | 104.9° | 104.9° |
| C70 | C71 | O20 | 114.8° | 114.8° |
| C70 | C71 | N19 | 124.7° | 124.7° |
| C72 | C70 | H104 | 104.6° | 104.6° |
| C70 | C72 | S3 | 108.4° | 108.4° |
| C70 | C72 | H105 | 109.7° | 109.7° |
| C70 | C72 | H106 | 109.7° | 109.7° |
| O20 | C71 | N19 | 120.5° | 120.5° |
| S3 | C72 | H105 | 109.7° | 109.7° |
| S3 | C72 | H106 | 109.7° | 109.7° |
| C72 | S3 | C50 | 101.2° | 101.2° |
| H105 | C72 | H106 | 109.5° | 109.5° |
| C73 | N19 | H107 | 118.2° | 118.2° |
| N19 | C73 | C74 | 110.7° | 110.7° |
| N19 | C73 | C75 | 113.5° | 113.5° |
| N19 | C73 | H108 | 105.5° | 105.5° |
| C73 | N19 | C71 | 123.6° | 123.6° |
| H107 | N19 | C71 | 118.2° | 118.2° |
| C74 | C73 | C75 | 115.9° | 115.9° |
| C74 | C73 | H108 | 105.1° | 105.1° |
| C73 | C74 | O21 | 123.2° | 123.2° |
| C73 | C74 | N20 | 116.0° | 116.0° |
| C75 | C73 | H108 | 105.0° | 105.0° |
| C73 | C75 | C76 | 115.5° | 115.5° |
| C73 | C75 | C77 | 108.8° | 108.8° |
| C73 | C75 | H109 | 106.8° | 106.8° |
| O21 | C74 | N20 | 120.8° | 120.8° |
| C76 | C75 | C77 | 111.8° | 111.8° |
| C76 | C75 | H109 | 106.7° | 106.7° |
| C75 | C76 | C78 | 116.4° | 116.4° |
| C75 | C76 | H110 | 107.7° | 107.7° |
| C75 | C76 | H111 | 107.7° | 107.7° |
| C77 | C75 | H109 | 106.8° | 106.8° |
| C75 | C77 | H112 | 109.5° | 109.5° |
| C75 | C77 | H113 | 109.5° | 109.5° |
| C75 | C77 | H114 | 109.4° | 109.4° |
| C78 | C76 | H110 | 107.7° | 107.7° |
| C78 | C76 | H111 | 107.7° | 107.7° |
| C76 | C78 | H115 | 109.5° | 109.5° |
| C76 | C78 | H116 | 109.5° | 109.5° |
| C76 | C78 | H117 | 109.4° | 109.4° |
| H110 | C76 | H111 | 109.5° | 109.5° |
| H112 | C77 | H113 | 109.5° | 109.5° |
| H112 | C77 | H114 | 109.5° | 109.5° |
| H113 | C77 | H114 | 109.5° | 109.5° |
| H115 | C78 | H116 | 109.5° | 109.5° |
| H115 | C78 | H117 | 109.4° | 109.4° |
| H116 | C78 | H117 | 109.5° | 109.5° |
| C80 | N20 | H118 | 118.3° | 118.3° |
| N20 | C80 | C79 | 125.7° | 125.7° |
| N20 | C80 | H120 | 117.1° | 117.1° |
| C80 | N20 | C74 | 123.5° | 123.5° |
| H118 | N20 | C74 | 118.2° | 118.2° |
| C80 | C79 | S4 | 126.3° | 126.3° |
| C80 | C79 | H119 | 116.9° | 116.9° |
| C79 | C80 | H120 | 117.2° | 117.2° |
| S4 | C79 | H119 | 116.9° | 116.9° |
| C79 | S4 | C60 | 105.5° | 105.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | N1 | H1 | H2 | 120.0° | 120.0° |
| N1 | C1 | C2 | C3 | 123.6° | 123.6° |
| N1 | C1 | C2 | H3 | 117.6° | 117.6° |
| N1 | C1 | C3 | H3 | 118.6° | 118.6° |
| N1 | C1 | C2 | O1 | 10.7° | 10.7° |
| N1 | C1 | C3 | S1 | 150.3° | 150.3° |
| N1 | C1 | C3 | H4 | 29.9° | 29.8° |
| N1 | C1 | C3 | H5 | 89.2° | 89.2° |
| N1 | C1 | C2 | N2 | 167.3° | 167.3° |
| H1 | N1 | C1 | C2 | 180.0° | 180.0° |
| H1 | N1 | C1 | C3 | 55.3° | 55.3° |
| H1 | N1 | C1 | H3 | 62.9° | 62.9° |
| H2 | N1 | C1 | C2 | 60.0° | 60.0° |
| H2 | N1 | C1 | C3 | 175.3° | 175.3° |
| H2 | N1 | C1 | H3 | 57.1° | 57.1° |
| C2 | C1 | C3 | H3 | 118.6° | 118.6° |
| C1 | C2 | O1 | N2 | 177.9° | 177.9° |
| C2 | C1 | C3 | S1 | 86.9° | 86.9° |
| C2 | C1 | C3 | H4 | 152.6° | 152.6° |
| C2 | C1 | C3 | H5 | 33.6° | 33.6° |
| C1 | C2 | N2 | C4 | 2.7° | 2.7° |
| C1 | C2 | N2 | H6 | 177.3° | 177.3° |
| C3 | C1 | C2 | O1 | 112.9° | 112.9° |
| C1 | C3 | S1 | H4 | 120.5° | 120.5° |
| C1 | C3 | S1 | H5 | 120.5° | 120.5° |
| C1 | C3 | H4 | H5 | 118.5° | 118.5° |
| C3 | C1 | C2 | N2 | 69.0° | 69.0° |
| C1 | C3 | S1 | C6 | 65.9° | 65.9° |
| H3 | C1 | C2 | O1 | 128.3° | 128.3° |
| H3 | C1 | C3 | S1 | 31.7° | 31.7° |
| H3 | C1 | C3 | H4 | 88.8° | 88.8° |
| H3 | C1 | C3 | H5 | 152.2° | 152.2° |
| H3 | C1 | C2 | N2 | 49.7° | 49.7° |
| O1 | C2 | N2 | C4 | 179.3° | 179.3° |
| O1 | C2 | N2 | H6 | 0.7° | 0.7° |
| S1 | C3 | H4 | H5 | 118.5° | 118.5° |
| C3 | S1 | C6 | C4 | 62.4° | 62.4° |
| C3 | S1 | C6 | C7 | 69.3° | 69.3° |
| C3 | S1 | C6 | H8 | 177.2° | 177.2° |
| H4 | C3 | S1 | C6 | 173.6° | 173.6° |
| H5 | C3 | S1 | C6 | 54.6° | 54.6° |
| N2 | C4 | C5 | C6 | 131.0° | 131.0° |
| N2 | C4 | C5 | H7 | 114.3° | 114.3° |
| N2 | C4 | C6 | H7 | 116.5° | 116.6° |
| N2 | C4 | C5 | O2 | 9.3° | 9.3° |
| N2 | C4 | C6 | C7 | 54.1° | 54.1° |
| C4 | N2 | H6 | C2 | 180.0° | 180.0° |
| N2 | C4 | C6 | H8 | 169.5° | 169.5° |
| N2 | C4 | C6 | S1 | 77.2° | 77.2° |
| N2 | C4 | C5 | N3 | 168.6° | 168.6° |
| C5 | C4 | C6 | H7 | 114.6° | 114.6° |
| C4 | C5 | O2 | N3 | 177.6° | 177.6° |
| C5 | C4 | C6 | C7 | 177.1° | 177.1° |
| C5 | C4 | N2 | H6 | 111.8° | 111.8° |
| C5 | C4 | C6 | H8 | 61.6° | 61.6° |
| C4 | C5 | N3 | C8 | 177.5° | 177.5° |
| C4 | C5 | N3 | H12 | 2.5° | 2.5° |
| C5 | C4 | N2 | C2 | 68.2° | 68.2° |
| C5 | C4 | C6 | S1 | 51.7° | 51.7° |
| C6 | C4 | C5 | O2 | 121.7° | 121.7° |
| C4 | C6 | C7 | H8 | 115.5° | 115.5° |
| C4 | C6 | C7 | S1 | 132.5° | 132.5° |
| C6 | C4 | N2 | H6 | 118.2° | 118.2° |
| C4 | C6 | H8 | S1 | 121.2° | 121.2° |
| C4 | C6 | C7 | H9 | 180.0° | 180.0° |
| C4 | C6 | C7 | H10 | 60.0° | 60.0° |
| C4 | C6 | C7 | H11 | 60.0° | 60.0° |
| C6 | C4 | N2 | C2 | 61.9° | 61.9° |
| C6 | C4 | C5 | N3 | 60.4° | 60.4° |
| O2 | C5 | C4 | H7 | 123.6° | 123.5° |
| O2 | C5 | N3 | C8 | 4.8° | 4.8° |
| O2 | C5 | N3 | H12 | 175.2° | 175.2° |
| C7 | C6 | C4 | H7 | 62.5° | 62.5° |
| C7 | C6 | H8 | S1 | 118.3° | 118.3° |
| C6 | C7 | H9 | H10 | 120.0° | 120.0° |
| C6 | C7 | H9 | H11 | 120.0° | 120.0° |
| C6 | C7 | H10 | H11 | 120.0° | 120.0° |
| H6 | N2 | C4 | H7 | 2.0° | 2.0° |
| H7 | C4 | C6 | H8 | 53.0° | 52.9° |
| H7 | C4 | N2 | C2 | 178.0° | 178.1° |
| H7 | C4 | C6 | S1 | 166.2° | 166.2° |
| H7 | C4 | C5 | N3 | 54.3° | 54.3° |
| H8 | C6 | C7 | H9 | 64.5° | 64.5° |
| H8 | C6 | C7 | H10 | 175.5° | 175.5° |
| H8 | C6 | C7 | H11 | 55.5° | 55.5° |
| H9 | C7 | H10 | H11 | 120.0° | 120.0° |
| H9 | C7 | C6 | S1 | 47.5° | 47.5° |
| H10 | C7 | C6 | S1 | 72.5° | 72.5° |
| H11 | C7 | C6 | S1 | 167.5° | 167.5° |
| C8 | N3 | H12 | C5 | 180.0° | 180.0° |
| N3 | C8 | C9 | C10 | 120.9° | 120.9° |
| N3 | C8 | C9 | H13 | 119.5° | 119.5° |
| N3 | C8 | C10 | H13 | 118.5° | 118.5° |
| N3 | C8 | C9 | O3 | 59.2° | 59.2° |
| N3 | C8 | C10 | C11 | 177.6° | 177.6° |
| N3 | C8 | C10 | H14 | 57.2° | 57.2° |
| N3 | C8 | C10 | H15 | 62.0° | 62.0° |
| N3 | C8 | C9 | N4 | 120.8° | 120.8° |
| H12 | N3 | C8 | C9 | 117.4° | 117.4° |
| H12 | N3 | C8 | C10 | 5.8° | 5.8° |
| H12 | N3 | C8 | H13 | 123.8° | 123.8° |
| C9 | C8 | C10 | H13 | 119.4° | 119.4° |
| C8 | C9 | O3 | N4 | 180.0° | 180.0° |
| C9 | C8 | C10 | C11 | 60.3° | 60.3° |
| C9 | C8 | C10 | H14 | 179.2° | 179.2° |
| C9 | C8 | C10 | H15 | 60.1° | 60.1° |
| C8 | C9 | N4 | C17 | 174.3° | 174.3° |
| C8 | C9 | N4 | H21 | 5.7° | 5.7° |
| C9 | C8 | N3 | C5 | 62.6° | 62.6° |
| C10 | C8 | C9 | O3 | 61.7° | 61.7° |
| C8 | C10 | C11 | H14 | 120.4° | 120.4° |
| C8 | C10 | C11 | H15 | 120.4° | 120.4° |
| C8 | C10 | H14 | H15 | 118.7° | 118.7° |
| C8 | C10 | C11 | C12 | 70.7° | 70.7° |
| C8 | C10 | C11 | C13 | 108.5° | 108.5° |
| C10 | C8 | N3 | C5 | 174.2° | 174.2° |
| C10 | C8 | C9 | N4 | 118.3° | 118.3° |
| H13 | C8 | C9 | O3 | 178.7° | 178.7° |
| H13 | C8 | C10 | C11 | 59.1° | 59.1° |
| H13 | C8 | C10 | H14 | 61.4° | 61.4° |
| H13 | C8 | C10 | H15 | 179.5° | 179.5° |
| H13 | C8 | N3 | C5 | 56.2° | 56.2° |
| H13 | C8 | C9 | N4 | 1.3° | 1.3° |
| O3 | C9 | N4 | C17 | 5.7° | 5.7° |
| O3 | C9 | N4 | H21 | 174.3° | 174.3° |
| C11 | C10 | H14 | H15 | 118.7° | 118.7° |
| C10 | C11 | C12 | C13 | 179.2° | 179.2° |
| C10 | C11 | C12 | C14 | 179.8° | 179.8° |
| C10 | C11 | C12 | H16 | 0.2° | 0.2° |
| C10 | C11 | C13 | C15 | 179.6° | 179.6° |
| C10 | C11 | C13 | H17 | 0.5° | 0.4° |
| H14 | C10 | C11 | C12 | 49.7° | 49.7° |
| H14 | C10 | C11 | C13 | 131.1° | 131.1° |
| H15 | C10 | C11 | C12 | 168.9° | 168.9° |
| H15 | C10 | C11 | C13 | 11.9° | 11.9° |
| C11 | C12 | C14 | H16 | 180.0° | 180.0° |
| C12 | C11 | C13 | C15 | 0.4° | 0.4° |
| C12 | C11 | C13 | H17 | 179.7° | 179.6° |
| C11 | C12 | C14 | C16 | 0.5° | 0.5° |
| C11 | C12 | C14 | H18 | 179.5° | 179.5° |
| C13 | C11 | C12 | C14 | 1.0° | 1.0° |
| C13 | C11 | C12 | H16 | 179.0° | 179.0° |
| C11 | C13 | C15 | H17 | 180.0° | 180.0° |
| C11 | C13 | C15 | C16 | 0.8° | 0.8° |
| C11 | C13 | C15 | H19 | 179.2° | 179.2° |
| C12 | C14 | C16 | H18 | 180.0° | 180.0° |
| C12 | C14 | C16 | C15 | 0.8° | 0.8° |
| C12 | C14 | C16 | H20 | 179.2° | 179.2° |
| H16 | C12 | C14 | C16 | 179.5° | 179.5° |
| H16 | C12 | C14 | H18 | 0.5° | 0.5° |
| C13 | C15 | C16 | C14 | 1.4° | 1.4° |
| C13 | C15 | C16 | H19 | 180.0° | 180.0° |
| C13 | C15 | C16 | H20 | 178.6° | 178.6° |
| H17 | C13 | C15 | C16 | 179.2° | 179.2° |
| H17 | C13 | C15 | H19 | 0.8° | 0.8° |
| C14 | C16 | C15 | H20 | 180.0° | 180.0° |
| C14 | C16 | C15 | H19 | 178.6° | 178.6° |
| H18 | C14 | C16 | C15 | 179.2° | 179.2° |
| H18 | C14 | C16 | H20 | 0.8° | 0.8° |
| H19 | C15 | C16 | H20 | 1.4° | 1.4° |
| N4 | C17 | C18 | C19 | 128.9° | 128.9° |
| N4 | C17 | C18 | H22 | 116.7° | 116.7° |
| N4 | C17 | C19 | H22 | 115.4° | 115.4° |
| N4 | C17 | C18 | O4 | 165.0° | 165.0° |
| N4 | C17 | C19 | C20 | 57.0° | 57.0° |
| C17 | N4 | H21 | C9 | 180.0° | 180.0° |
| N4 | C17 | C19 | H23 | 176.4° | 176.4° |
| N4 | C17 | C18 | N5 | 17.9° | 17.9° |
| N4 | C17 | C19 | S2 | 65.7° | 65.7° |
| C18 | C17 | C19 | H22 | 114.4° | 114.4° |
| C17 | C18 | O4 | N5 | 176.8° | 176.8° |
| C18 | C17 | C19 | C20 | 172.9° | 172.9° |
| C18 | C17 | N4 | H21 | 69.7° | 69.7° |
| C18 | C17 | C19 | H23 | 53.4° | 53.4° |
| C17 | C18 | N5 | C21 | 177.5° | 177.5° |
| C17 | C18 | N5 | H27 | 2.5° | 2.5° |
| C18 | C17 | N4 | C9 | 110.3° | 110.3° |
| C18 | C17 | C19 | S2 | 64.5° | 64.5° |
| C19 | C17 | C18 | O4 | 36.1° | 36.1° |
| C17 | C19 | C20 | H23 | 119.6° | 119.6° |
| C17 | C19 | C20 | S2 | 124.0° | 124.0° |
| C19 | C17 | N4 | H21 | 59.3° | 59.3° |
| C17 | C19 | H23 | S2 | 121.7° | 121.7° |
| C17 | C19 | C20 | H24 | 180.0° | 180.0° |
| C17 | C19 | C20 | H25 | 60.0° | 60.0° |
| C17 | C19 | C20 | H26 | 60.0° | 60.0° |
| C17 | C19 | S2 | C47 | 110.5° | 110.5° |
| C19 | C17 | N4 | C9 | 120.7° | 120.7° |
| C19 | C17 | C18 | N5 | 146.8° | 146.8° |
| O4 | C18 | C17 | H22 | 78.3° | 78.3° |
| O4 | C18 | N5 | C21 | 0.5° | 0.5° |
| O4 | C18 | N5 | H27 | 179.5° | 179.5° |
| C20 | C19 | C17 | H22 | 58.4° | 58.4° |
| C20 | C19 | H23 | S2 | 118.9° | 118.9° |
| C19 | C20 | H24 | H25 | 120.0° | 120.0° |
| C19 | C20 | H24 | H26 | 120.0° | 120.0° |
| C19 | C20 | H25 | H26 | 120.0° | 120.0° |
| C20 | C19 | S2 | C47 | 127.5° | 127.5° |
| H21 | N4 | C17 | H22 | 174.1° | 174.1° |
| H22 | C17 | C19 | H23 | 61.0° | 61.0° |
| H22 | C17 | N4 | C9 | 5.9° | 5.9° |
| H22 | C17 | C18 | N5 | 98.8° | 98.8° |
| H22 | C17 | C19 | S2 | 178.9° | 178.9° |
| H23 | C19 | C20 | H24 | 60.4° | 60.4° |
| H23 | C19 | C20 | H25 | 179.6° | 179.5° |
| H23 | C19 | C20 | H26 | 59.6° | 59.6° |
| H23 | C19 | S2 | C47 | 9.2° | 9.2° |
| H24 | C20 | H25 | H26 | 120.0° | 119.9° |
| H24 | C20 | C19 | S2 | 56.0° | 56.0° |
| H25 | C20 | C19 | S2 | 64.0° | 64.0° |
| H26 | C20 | C19 | S2 | 176.0° | 176.0° |
| C21 | N5 | H27 | C18 | 180.0° | 180.0° |
| N5 | C21 | C22 | C23 | 121.5° | 121.5° |
| N5 | C21 | C22 | H28 | 120.0° | 120.0° |
| N5 | C21 | C23 | H28 | 118.5° | 118.5° |
| N5 | C21 | C22 | O5 | 109.6° | 109.6° |
| N5 | C21 | C23 | C24 | 55.6° | 55.6° |
| N5 | C21 | C23 | H29 | 65.5° | 65.5° |
| N5 | C21 | C23 | H30 | 176.7° | 176.7° |
| N5 | C21 | C22 | N6 | 71.1° | 71.1° |
| H27 | N5 | C21 | C22 | 60.5° | 60.5° |
| H27 | N5 | C21 | C23 | 61.8° | 61.8° |
| H27 | N5 | C21 | H28 | 179.8° | 179.8° |
| C22 | C21 | C23 | H28 | 118.6° | 118.6° |
| C21 | C22 | O5 | N6 | 179.3° | 179.3° |
| C22 | C21 | C23 | C24 | 178.6° | 178.6° |
| C22 | C21 | C23 | H29 | 57.5° | 57.5° |
| C22 | C21 | C23 | H30 | 60.4° | 60.4° |
| C21 | C22 | N6 | C27 | 178.9° | 178.9° |
| C21 | C22 | N6 | C31 | 5.2° | 5.2° |
| C22 | C21 | N5 | C18 | 119.5° | 119.5° |
| C23 | C21 | C22 | O5 | 11.9° | 11.9° |
| C21 | C23 | C24 | H29 | 121.1° | 121.1° |
| C21 | C23 | C24 | H30 | 121.1° | 121.1° |
| C21 | C23 | H29 | H30 | 116.5° | 116.5° |
| C21 | C23 | C24 | C25 | 180.0° | 180.0° |
| C21 | C23 | C24 | C26 | 56.4° | 56.4° |
| C21 | C23 | C24 | H31 | 61.8° | 61.8° |
| C23 | C21 | N5 | C18 | 118.2° | 118.2° |
| C23 | C21 | C22 | N6 | 167.4° | 167.4° |
| H28 | C21 | C22 | O5 | 130.3° | 130.3° |
| H28 | C21 | C23 | C24 | 62.8° | 62.8° |
| H28 | C21 | C23 | H29 | 176.1° | 176.1° |
| H28 | C21 | C23 | H30 | 58.2° | 58.2° |
| H28 | C21 | N5 | C18 | 0.2° | 0.2° |
| H28 | C21 | C22 | N6 | 49.0° | 49.0° |
| O5 | C22 | N6 | C27 | 1.8° | 1.8° |
| O5 | C22 | N6 | C31 | 174.2° | 174.2° |
| C24 | C23 | H29 | H30 | 116.5° | 116.5° |
| C23 | C24 | C25 | C26 | 125.6° | 125.6° |
| C23 | C24 | C25 | H31 | 118.1° | 118.1° |
| C23 | C24 | C26 | H31 | 118.2° | 118.2° |
| C23 | C24 | C25 | H32 | 180.0° | 180.0° |
| C23 | C24 | C25 | H33 | 60.0° | 60.0° |
| C23 | C24 | C25 | H34 | 60.0° | 60.0° |
| C23 | C24 | C26 | H35 | 180.0° | 180.0° |
| C23 | C24 | C26 | H36 | 60.0° | 60.0° |
| C23 | C24 | C26 | H37 | 60.0° | 60.0° |
| H29 | C23 | C24 | C25 | 58.9° | 58.9° |
| H29 | C23 | C24 | C26 | 177.5° | 177.5° |
| H29 | C23 | C24 | H31 | 59.2° | 59.2° |
| H30 | C23 | C24 | C25 | 58.9° | 58.9° |
| H30 | C23 | C24 | C26 | 64.7° | 64.7° |
| H30 | C23 | C24 | H31 | 177.1° | 177.1° |
| C25 | C24 | C26 | H31 | 116.3° | 116.3° |
| C24 | C25 | H32 | H33 | 120.0° | 120.0° |
| C24 | C25 | H32 | H34 | 120.0° | 120.0° |
| C24 | C25 | H33 | H34 | 120.0° | 120.0° |
| C25 | C24 | C26 | H35 | 54.6° | 54.6° |
| C25 | C24 | C26 | H36 | 65.5° | 65.5° |
| C25 | C24 | C26 | H37 | 174.6° | 174.6° |
| C26 | C24 | C25 | H32 | 54.4° | 54.4° |
| C26 | C24 | C25 | H33 | 174.5° | 174.5° |
| C26 | C24 | C25 | H34 | 65.6° | 65.6° |
| C24 | C26 | H35 | H36 | 120.0° | 120.0° |
| C24 | C26 | H35 | H37 | 120.0° | 120.0° |
| C24 | C26 | H36 | H37 | 120.0° | 120.0° |
| H31 | C24 | C25 | H32 | 61.9° | 61.9° |
| H31 | C24 | C25 | H33 | 58.2° | 58.2° |
| H31 | C24 | C25 | H34 | 178.1° | 178.1° |
| H31 | C24 | C26 | H35 | 61.7° | 61.7° |
| H31 | C24 | C26 | H36 | 178.2° | 178.2° |
| H31 | C24 | C26 | H37 | 58.3° | 58.3° |
| H32 | C25 | H33 | H34 | 120.0° | 120.0° |
| H35 | C26 | H36 | H37 | 120.0° | 120.0° |
| C27 | N6 | C31 | C22 | 176.2° | 176.2° |
| N6 | C27 | C28 | C29 | 114.7° | 114.7° |
| N6 | C27 | C28 | H38 | 122.5° | 122.5° |
| N6 | C27 | C29 | H38 | 117.6° | 117.6° |
| N6 | C27 | C28 | O6 | 39.2° | 39.2° |
| N6 | C27 | C29 | C30 | 21.7° | 21.7° |
| N6 | C27 | C29 | H39 | 140.9° | 140.9° |
| N6 | C27 | C29 | H40 | 97.6° | 97.6° |
| C27 | N6 | C31 | C30 | 16.2° | 16.2° |
| C27 | N6 | C31 | H43 | 102.4° | 102.4° |
| C27 | N6 | C31 | H44 | 134.7° | 134.7° |
| N6 | C27 | C28 | N7 | 144.6° | 144.6° |
| C31 | N6 | C27 | C28 | 117.3° | 117.3° |
| C31 | N6 | C27 | C29 | 3.1° | 3.1° |
| C31 | N6 | C27 | H38 | 120.5° | 120.5° |
| N6 | C31 | C30 | C29 | 30.0° | 30.0° |
| N6 | C31 | C30 | H43 | 118.5° | 118.5° |
| N6 | C31 | C30 | H44 | 118.5° | 118.5° |
| N6 | C31 | C30 | H41 | 89.8° | 89.8° |
| N6 | C31 | C30 | H42 | 149.8° | 149.8° |
| N6 | C31 | H43 | H44 | 124.2° | 124.2° |
| C28 | C27 | C29 | H38 | 122.7° | 122.7° |
| C27 | C28 | O6 | N7 | 175.8° | 175.8° |
| C28 | C27 | C29 | C30 | 98.1° | 98.1° |
| C28 | C27 | C29 | H39 | 21.2° | 21.2° |
| C28 | C27 | C29 | H40 | 142.7° | 142.7° |
| C27 | C28 | N7 | C32 | 169.9° | 169.9° |
| C27 | C28 | N7 | H45 | 10.1° | 10.1° |
| C28 | C27 | N6 | C22 | 59.2° | 59.2° |
| C29 | C27 | C28 | O6 | 75.4° | 75.4° |
| C27 | C29 | C30 | H39 | 119.3° | 119.3° |
| C27 | C29 | C30 | H40 | 119.3° | 119.3° |
| C27 | C29 | H39 | H40 | 122.1° | 122.1° |
| C27 | C29 | C30 | C31 | 33.4° | 33.4° |
| C27 | C29 | C30 | H41 | 86.3° | 86.3° |
| C27 | C29 | C30 | H42 | 153.2° | 153.2° |
| C29 | C27 | N6 | C22 | 179.6° | 179.6° |
| C29 | C27 | C28 | N7 | 100.8° | 100.8° |
| H38 | C27 | C28 | O6 | 161.8° | 161.8° |
| H38 | C27 | C29 | C30 | 139.2° | 139.2° |
| H38 | C27 | C29 | H39 | 101.5° | 101.5° |
| H38 | C27 | C29 | H40 | 20.0° | 20.0° |
| H38 | C27 | N6 | C22 | 63.1° | 63.1° |
| H38 | C27 | C28 | N7 | 22.0° | 22.0° |
| O6 | C28 | N7 | C32 | 6.2° | 6.2° |
| O6 | C28 | N7 | H45 | 173.8° | 173.8° |
| C30 | C29 | H39 | H40 | 122.1° | 122.1° |
| C29 | C30 | C31 | H41 | 119.8° | 119.8° |
| C29 | C30 | C31 | H42 | 119.8° | 119.8° |
| C29 | C30 | H41 | H42 | 120.7° | 120.7° |
| C29 | C30 | C31 | H43 | 88.5° | 88.5° |
| C29 | C30 | C31 | H44 | 148.5° | 148.5° |
| H39 | C29 | C30 | C31 | 152.7° | 152.7° |
| H39 | C29 | C30 | H41 | 32.9° | 32.9° |
| H39 | C29 | C30 | H42 | 87.5° | 87.5° |
| H40 | C29 | C30 | C31 | 85.8° | 85.8° |
| H40 | C29 | C30 | H41 | 154.4° | 154.4° |
| H40 | C29 | C30 | H42 | 33.9° | 33.9° |
| C31 | C30 | H41 | H42 | 120.7° | 120.7° |
| C30 | C31 | H43 | H44 | 124.2° | 124.2° |
| C30 | C31 | N6 | C22 | 160.1° | 160.1° |
| H41 | C30 | C31 | H43 | 151.7° | 151.7° |
| H41 | C30 | C31 | H44 | 28.8° | 28.8° |
| H42 | C30 | C31 | H43 | 31.2° | 31.2° |
| H42 | C30 | C31 | H44 | 91.7° | 91.7° |
| H43 | C31 | N6 | C22 | 81.4° | 81.4° |
| H44 | C31 | N6 | C22 | 41.5° | 41.5° |
| C32 | N7 | H45 | C28 | 180.0° | 180.0° |
| N7 | C32 | C33 | H46 | 120.1° | 120.1° |
| N7 | C32 | C33 | H47 | 120.0° | 120.0° |
| N7 | C32 | H46 | H47 | 119.9° | 119.9° |
| N7 | C32 | C33 | O7 | 46.2° | 46.2° |
| N7 | C32 | C33 | N8 | 136.1° | 136.1° |
| H45 | N7 | C32 | C33 | 122.1° | 122.1° |
| H45 | N7 | C32 | H46 | 117.9° | 117.9° |
| H45 | N7 | C32 | H47 | 2.0° | 2.0° |
| C33 | C32 | H46 | H47 | 119.9° | 119.9° |
| C32 | C33 | O7 | N8 | 177.4° | 177.4° |
| C32 | C33 | N8 | C34 | 176.2° | 176.2° |
| C32 | C33 | N8 | H48 | 3.8° | 3.8° |
| C33 | C32 | N7 | C28 | 57.9° | 57.9° |
| H46 | C32 | C33 | O7 | 166.3° | 166.3° |
| H46 | C32 | N7 | C28 | 62.1° | 62.1° |
| H46 | C32 | C33 | N8 | 16.1° | 16.1° |
| H47 | C32 | C33 | O7 | 73.8° | 73.8° |
| H47 | C32 | N7 | C28 | 178.0° | 178.0° |
| H47 | C32 | C33 | N8 | 103.9° | 103.9° |
| O7 | C33 | N8 | C34 | 6.4° | 6.4° |
| O7 | C33 | N8 | H48 | 173.6° | 173.6° |
| C34 | N8 | H48 | C33 | 180.0° | 180.0° |
| N8 | C34 | C35 | H49 | 120.9° | 120.9° |
| N8 | C34 | C35 | H50 | 120.9° | 120.9° |
| N8 | C34 | H49 | H50 | 117.4° | 117.4° |
| N8 | C34 | C35 | O8 | 173.6° | 173.6° |
| N8 | C34 | C35 | N9 | 2.9° | 2.9° |
| H48 | N8 | C34 | C35 | 96.0° | 96.0° |
| H48 | N8 | C34 | H49 | 24.8° | 24.8° |
| H48 | N8 | C34 | H50 | 143.1° | 143.1° |
| C35 | C34 | H49 | H50 | 117.4° | 117.4° |
| C34 | C35 | O8 | N9 | 176.3° | 176.3° |
| C34 | C35 | N9 | C36 | 172.2° | 172.2° |
| C34 | C35 | N9 | H51 | 7.8° | 7.8° |
| C35 | C34 | N8 | C33 | 83.9° | 83.9° |
| H49 | C34 | C35 | O8 | 52.7° | 52.7° |
| H49 | C34 | N8 | C33 | 155.2° | 155.2° |
| H49 | C34 | C35 | N9 | 123.7° | 123.7° |
| H50 | C34 | C35 | O8 | 65.6° | 65.6° |
| H50 | C34 | N8 | C33 | 36.9° | 36.9° |
| H50 | C34 | C35 | N9 | 118.0° | 118.0° |
| O8 | C35 | N9 | C36 | 11.3° | 11.3° |
| O8 | C35 | N9 | H51 | 168.7° | 168.7° |
| C36 | N9 | H51 | C35 | 180.0° | 180.0° |
| N9 | C36 | C37 | H52 | 119.4° | 119.4° |
| N9 | C36 | C37 | H53 | 119.4° | 119.4° |
| N9 | C36 | H52 | H53 | 121.7° | 121.7° |
| N9 | C36 | C37 | O9 | 18.1° | 18.1° |
| N9 | C36 | C37 | N10 | 160.7° | 160.7° |
| H51 | N9 | C36 | C37 | 102.5° | 102.5° |
| H51 | N9 | C36 | H52 | 16.9° | 16.9° |
| H51 | N9 | C36 | H53 | 138.1° | 138.1° |
| C37 | C36 | H52 | H53 | 121.7° | 121.7° |
| C36 | C37 | O9 | N10 | 178.6° | 178.6° |
| C36 | C37 | N10 | C38 | 179.1° | 179.1° |
| C36 | C37 | N10 | H54 | 0.9° | 0.9° |
| C37 | C36 | N9 | C35 | 77.5° | 77.5° |
| H52 | C36 | C37 | O9 | 101.3° | 101.3° |
| H52 | C36 | N9 | C35 | 163.1° | 163.1° |
| H52 | C36 | C37 | N10 | 79.9° | 79.9° |
| H53 | C36 | C37 | O9 | 137.5° | 137.5° |
| H53 | C36 | N9 | C35 | 41.9° | 41.9° |
| H53 | C36 | C37 | N10 | 41.3° | 41.2° |
| O9 | C37 | N10 | C38 | 2.0° | 2.0° |
| O9 | C37 | N10 | H54 | 178.0° | 178.0° |
| C38 | N10 | H54 | C37 | 180.0° | 180.0° |
| N10 | C38 | C39 | H55 | 120.0° | 120.1° |
| N10 | C38 | C39 | H56 | 120.0° | 120.0° |
| N10 | C38 | H55 | H56 | 119.8° | 119.8° |
| N10 | C38 | C39 | O10 | 1.1° | 1.1° |
| N10 | C38 | C39 | N11 | 179.5° | 179.5° |
| H54 | N10 | C38 | C39 | 86.2° | 86.2° |
| H54 | N10 | C38 | H55 | 33.8° | 33.9° |
| H54 | N10 | C38 | H56 | 153.8° | 153.8° |
| C39 | C38 | H55 | H56 | 119.8° | 119.8° |
| C38 | C39 | O10 | N11 | 178.3° | 178.3° |
| C38 | C39 | N11 | C40 | 179.0° | 179.0° |
| C38 | C39 | N11 | H57 | 1.0° | 1.0° |
| C39 | C38 | N10 | C37 | 93.8° | 93.8° |
| H55 | C38 | C39 | O10 | 118.9° | 118.9° |
| H55 | C38 | N10 | C37 | 146.2° | 146.1° |
| H55 | C38 | C39 | N11 | 59.5° | 59.5° |
| H56 | C38 | C39 | O10 | 121.2° | 121.2° |
| H56 | C38 | N10 | C37 | 26.2° | 26.2° |
| H56 | C38 | C39 | N11 | 60.4° | 60.4° |
| O10 | C39 | N11 | C40 | 2.5° | 2.5° |
| O10 | C39 | N11 | H57 | 177.5° | 177.5° |
| C40 | N11 | H57 | C39 | 180.0° | 180.0° |
| N11 | C40 | C41 | C42 | 119.7° | 119.7° |
| N11 | C40 | C41 | H58 | 120.7° | 120.7° |
| N11 | C40 | C42 | H58 | 118.5° | 118.5° |
| N11 | C40 | C41 | O11 | 44.2° | 44.2° |
| N11 | C40 | C42 | C43 | 169.8° | 169.8° |
| N11 | C40 | C42 | C44 | 65.3° | 65.3° |
| N11 | C40 | C42 | H59 | 51.9° | 51.9° |
| N11 | C40 | C41 | N12 | 136.5° | 136.5° |
| H57 | N11 | C40 | C41 | 117.3° | 117.3° |
| H57 | N11 | C40 | C42 | 4.8° | 4.8° |
| H57 | N11 | C40 | H58 | 122.5° | 122.5° |
| C41 | C40 | C42 | H58 | 119.7° | 119.7° |
| C40 | C41 | O11 | N12 | 179.3° | 179.3° |
| C41 | C40 | C42 | C43 | 48.0° | 48.0° |
| C41 | C40 | C42 | C44 | 172.9° | 172.9° |
| C41 | C40 | C42 | H59 | 69.9° | 69.9° |
| C40 | C41 | N12 | C45 | 173.1° | 173.1° |
| C40 | C41 | N12 | H66 | 6.8° | 6.9° |
| C41 | C40 | N11 | C39 | 62.7° | 62.7° |
| C42 | C40 | C41 | O11 | 75.6° | 75.6° |
| C40 | C42 | C43 | C44 | 124.8° | 124.8° |
| C40 | C42 | C43 | H59 | 117.5° | 117.5° |
| C40 | C42 | C44 | H59 | 117.1° | 117.1° |
| C40 | C42 | C43 | H60 | 180.0° | 180.0° |
| C40 | C42 | C43 | H61 | 60.0° | 60.0° |
| C40 | C42 | C43 | H62 | 60.0° | 60.0° |
| C40 | C42 | C44 | H63 | 180.0° | 180.0° |
| C40 | C42 | C44 | H64 | 60.0° | 60.0° |
| C40 | C42 | C44 | H65 | 60.0° | 60.0° |
| C42 | C40 | N11 | C39 | 175.3° | 175.3° |
| C42 | C40 | C41 | N12 | 103.8° | 103.8° |
| H58 | C40 | C41 | O11 | 164.9° | 164.9° |
| H58 | C40 | C42 | C43 | 71.8° | 71.8° |
| H58 | C40 | C42 | C44 | 53.2° | 53.2° |
| H58 | C40 | C42 | H59 | 170.4° | 170.4° |
| H58 | C40 | N11 | C39 | 57.6° | 57.6° |
| H58 | C40 | C41 | N12 | 15.8° | 15.8° |
| O11 | C41 | N12 | C45 | 6.2° | 6.2° |
| O11 | C41 | N12 | H66 | 173.8° | 173.8° |
| C43 | C42 | C44 | H59 | 118.1° | 118.1° |
| C42 | C43 | H60 | H61 | 120.0° | 120.0° |
| C42 | C43 | H60 | H62 | 120.0° | 120.0° |
| C42 | C43 | H61 | H62 | 120.0° | 120.0° |
| C43 | C42 | C44 | H63 | 55.2° | 55.2° |
| C43 | C42 | C44 | H64 | 64.8° | 64.8° |
| C43 | C42 | C44 | H65 | 175.2° | 175.2° |
| C44 | C42 | C43 | H60 | 55.2° | 55.2° |
| C44 | C42 | C43 | H61 | 175.2° | 175.3° |
| C44 | C42 | C43 | H62 | 64.8° | 64.8° |
| C42 | C44 | H63 | H64 | 120.0° | 120.0° |
| C42 | C44 | H63 | H65 | 120.0° | 120.0° |
| C42 | C44 | H64 | H65 | 120.0° | 120.0° |
| H59 | C42 | C43 | H60 | 62.5° | 62.5° |
| H59 | C42 | C43 | H61 | 57.4° | 57.5° |
| H59 | C42 | C43 | H62 | 177.5° | 177.5° |
| H59 | C42 | C44 | H63 | 62.9° | 62.9° |
| H59 | C42 | C44 | H64 | 177.1° | 177.1° |
| H59 | C42 | C44 | H65 | 57.2° | 57.2° |
| H60 | C43 | H61 | H62 | 119.9° | 119.9° |
| H63 | C44 | H64 | H65 | 120.0° | 120.0° |
| C45 | N12 | H66 | C41 | 180.0° | 180.0° |
| N12 | C45 | C46 | C47 | 119.9° | 119.9° |
| N12 | C45 | C46 | H67 | 119.4° | 119.3° |
| N12 | C45 | C47 | H67 | 119.8° | 119.8° |
| N12 | C45 | C46 | O12 | 50.1° | 50.1° |
| N12 | C45 | C47 | S2 | 173.9° | 173.9° |
| N12 | C45 | C47 | H68 | 53.9° | 53.9° |
| N12 | C45 | C47 | H69 | 66.0° | 66.0° |
| N12 | C45 | C46 | N13 | 131.4° | 131.4° |
| H66 | N12 | C45 | C46 | 99.6° | 99.6° |
| H66 | N12 | C45 | C47 | 22.2° | 22.1° |
| H66 | N12 | C45 | H67 | 141.5° | 141.5° |
| C46 | C45 | C47 | H67 | 120.9° | 120.9° |
| C45 | C46 | O12 | N13 | 178.3° | 178.3° |
| C46 | C45 | C47 | S2 | 66.8° | 66.8° |
| C46 | C45 | C47 | H68 | 173.2° | 173.2° |
| C46 | C45 | C47 | H69 | 53.3° | 53.3° |
| C45 | C46 | N13 | C48 | 179.3° | 179.3° |
| C45 | C46 | N13 | H70 | 0.7° | 0.7° |
| C46 | C45 | N12 | C41 | 80.4° | 80.4° |
| C47 | C45 | C46 | O12 | 69.8° | 69.8° |
| C45 | C47 | S2 | H68 | 120.0° | 120.0° |
| C45 | C47 | S2 | H69 | 120.1° | 120.1° |
| C45 | C47 | H68 | H69 | 119.9° | 119.9° |
| C45 | C47 | S2 | C19 | 178.9° | 178.9° |
| C47 | C45 | C46 | N13 | 108.7° | 108.7° |
| C47 | C45 | N12 | C41 | 157.8° | 157.8° |
| H67 | C45 | C46 | O12 | 169.5° | 169.4° |
| H67 | C45 | C47 | S2 | 54.1° | 54.1° |
| H67 | C45 | C47 | H68 | 66.0° | 65.9° |
| H67 | C45 | C47 | H69 | 174.2° | 174.2° |
| H67 | C45 | C46 | N13 | 12.1° | 12.1° |
| H67 | C45 | N12 | C41 | 38.5° | 38.5° |
| O12 | C46 | N13 | C48 | 2.4° | 2.4° |
| O12 | C46 | N13 | H70 | 177.7° | 177.7° |
| S2 | C47 | H68 | H69 | 119.9° | 119.9° |
| H68 | C47 | S2 | C19 | 61.1° | 61.1° |
| H69 | C47 | S2 | C19 | 58.8° | 58.8° |
| N13 | C48 | C49 | C50 | 127.2° | 127.2° |
| N13 | C48 | C49 | H71 | 117.9° | 117.9° |
| N13 | C48 | C50 | H71 | 115.7° | 115.7° |
| N13 | C48 | C49 | O13 | 164.2° | 164.2° |
| N13 | C48 | C50 | C51 | 65.4° | 65.4° |
| C48 | N13 | H70 | C46 | 180.0° | 180.0° |
| N13 | C48 | C50 | H72 | 175.6° | 175.6° |
| N13 | C48 | C49 | N14 | 17.6° | 17.6° |
| N13 | C48 | C50 | S3 | 58.9° | 58.9° |
| C49 | C48 | C50 | H71 | 114.9° | 114.9° |
| C48 | C49 | O13 | N14 | 178.0° | 178.0° |
| C49 | C48 | C50 | C51 | 165.2° | 165.2° |
| C49 | C48 | N13 | H70 | 83.7° | 83.7° |
| C49 | C48 | C50 | H72 | 46.3° | 46.3° |
| C48 | C49 | N14 | C52 | 178.3° | 178.3° |
| C48 | C49 | N14 | H76 | 1.7° | 1.7° |
| C49 | C48 | N13 | C46 | 96.3° | 96.3° |
| C49 | C48 | C50 | S3 | 70.5° | 70.5° |
| C50 | C48 | C49 | O13 | 68.5° | 68.5° |
| C48 | C50 | C51 | H72 | 118.9° | 118.9° |
| C48 | C50 | C51 | S3 | 126.2° | 126.2° |
| C50 | C48 | N13 | H70 | 43.5° | 43.5° |
| C48 | C50 | H72 | S3 | 121.8° | 121.8° |
| C48 | C50 | C51 | H73 | 180.0° | 180.0° |
| C48 | C50 | C51 | H74 | 60.0° | 60.0° |
| C48 | C50 | C51 | H75 | 60.0° | 60.0° |
| C48 | C50 | S3 | C72 | 94.0° | 94.0° |
| C50 | C48 | N13 | C46 | 136.5° | 136.5° |
| C50 | C48 | C49 | N14 | 109.7° | 109.7° |
| O13 | C49 | C48 | H71 | 46.3° | 46.3° |
| O13 | C49 | N14 | C52 | 3.6° | 3.6° |
| O13 | C49 | N14 | H76 | 176.4° | 176.4° |
| C51 | C50 | C48 | H71 | 50.3° | 50.3° |
| C51 | C50 | H72 | S3 | 117.8° | 117.8° |
| C50 | C51 | H73 | H74 | 120.0° | 120.0° |
| C50 | C51 | H73 | H75 | 120.0° | 120.0° |
| C50 | C51 | H74 | H75 | 120.0° | 120.0° |
| C51 | C50 | S3 | C72 | 141.3° | 141.3° |
| H70 | N13 | C48 | H71 | 158.7° | 158.7° |
| H71 | C48 | C50 | H72 | 68.6° | 68.6° |
| H71 | C48 | N13 | C46 | 21.3° | 21.3° |
| H71 | C48 | C49 | N14 | 135.5° | 135.5° |
| H71 | C48 | C50 | S3 | 174.6° | 174.6° |
| H72 | C50 | C51 | H73 | 61.1° | 61.1° |
| H72 | C50 | C51 | H74 | 178.8° | 178.8° |
| H72 | C50 | C51 | H75 | 58.9° | 58.9° |
| H72 | C50 | S3 | C72 | 24.5° | 24.5° |
| H73 | C51 | H74 | H75 | 120.0° | 120.0° |
| H73 | C51 | C50 | S3 | 53.8° | 53.8° |
| H74 | C51 | C50 | S3 | 66.3° | 66.3° |
| H75 | C51 | C50 | S3 | 173.8° | 173.8° |
| C52 | N14 | H76 | C49 | 180.0° | 180.0° |
| N14 | C52 | C53 | C54 | 115.4° | 115.4° |
| N14 | C52 | C53 | H77 | 122.6° | 122.6° |
| N14 | C52 | C54 | H77 | 120.8° | 120.8° |
| N14 | C52 | C53 | O14 | 47.4° | 47.4° |
| N14 | C52 | C54 | C55 | 177.5° | 177.5° |
| N14 | C52 | C54 | H78 | 61.8° | 61.8° |
| N14 | C52 | C54 | H79 | 56.8° | 56.8° |
| N14 | C52 | C53 | N15 | 131.5° | 131.5° |
| H76 | N14 | C52 | C53 | 29.2° | 29.2° |
| H76 | N14 | C52 | C54 | 88.4° | 88.4° |
| H76 | N14 | C52 | H77 | 151.4° | 151.4° |
| C53 | C52 | C54 | H77 | 122.3° | 122.3° |
| C52 | C53 | O14 | N15 | 178.8° | 178.8° |
| C53 | C52 | C54 | C55 | 60.6° | 60.6° |
| C53 | C52 | C54 | H78 | 178.7° | 178.7° |
| C53 | C52 | C54 | H79 | 60.1° | 60.1° |
| C52 | C53 | N15 | C58 | 179.7° | 179.7° |
| C52 | C53 | N15 | H87 | 0.3° | 0.3° |
| C53 | C52 | N14 | C49 | 150.8° | 150.8° |
| C54 | C52 | C53 | O14 | 68.1° | 68.1° |
| C52 | C54 | C55 | H78 | 120.7° | 120.7° |
| C52 | C54 | C55 | H79 | 120.7° | 120.7° |
| C52 | C54 | H78 | H79 | 117.8° | 117.8° |
| C52 | C54 | C55 | C56 | 55.2° | 55.2° |
| C52 | C54 | C55 | C57 | 178.1° | 178.1° |
| C52 | C54 | C55 | H80 | 61.7° | 61.7° |
| C54 | C52 | N14 | C49 | 91.6° | 91.6° |
| C54 | C52 | C53 | N15 | 113.1° | 113.1° |
| H77 | C52 | C53 | O14 | 169.9° | 169.9° |
| H77 | C52 | C54 | C55 | 61.7° | 61.7° |
| H77 | C52 | C54 | H78 | 59.0° | 59.0° |
| H77 | C52 | C54 | H79 | 177.6° | 177.6° |
| H77 | C52 | N14 | C49 | 28.6° | 28.6° |
| H77 | C52 | C53 | N15 | 8.9° | 8.9° |
| O14 | C53 | N15 | C58 | 0.9° | 0.9° |
| O14 | C53 | N15 | H87 | 179.1° | 179.1° |
| C55 | C54 | H78 | H79 | 117.9° | 117.9° |
| C54 | C55 | C56 | C57 | 124.7° | 124.7° |
| C54 | C55 | C56 | H80 | 116.8° | 116.8° |
| C54 | C55 | C57 | H80 | 116.4° | 116.4° |
| C54 | C55 | C56 | H81 | 180.0° | 180.0° |
| C54 | C55 | C56 | H82 | 60.0° | 60.0° |
| C54 | C55 | C56 | H83 | 60.0° | 60.0° |
| C54 | C55 | C57 | H84 | 180.0° | 180.0° |
| C54 | C55 | C57 | H85 | 60.0° | 60.0° |
| C54 | C55 | C57 | H86 | 60.0° | 60.0° |
| H78 | C54 | C55 | C56 | 65.5° | 65.5° |
| H78 | C54 | C55 | C57 | 61.2° | 61.2° |
| H78 | C54 | C55 | H80 | 177.6° | 177.6° |
| H79 | C54 | C55 | C56 | 175.9° | 175.9° |
| H79 | C54 | C55 | C57 | 57.4° | 57.4° |
| H79 | C54 | C55 | H80 | 59.0° | 59.0° |
| C56 | C55 | C57 | H80 | 118.5° | 118.5° |
| C55 | C56 | H81 | H82 | 120.0° | 120.0° |
| C55 | C56 | H81 | H83 | 120.0° | 120.0° |
| C55 | C56 | H82 | H83 | 120.0° | 120.0° |
| C56 | C55 | C57 | H84 | 54.8° | 54.8° |
| C56 | C55 | C57 | H85 | 65.2° | 65.2° |
| C56 | C55 | C57 | H86 | 174.8° | 174.8° |
| C57 | C55 | C56 | H81 | 55.3° | 55.3° |
| C57 | C55 | C56 | H82 | 175.3° | 175.3° |
| C57 | C55 | C56 | H83 | 64.7° | 64.7° |
| C55 | C57 | H84 | H85 | 120.0° | 120.0° |
| C55 | C57 | H84 | H86 | 120.0° | 120.0° |
| C55 | C57 | H85 | H86 | 120.0° | 120.0° |
| H80 | C55 | C56 | H81 | 63.2° | 63.2° |
| H80 | C55 | C56 | H82 | 56.8° | 56.8° |
| H80 | C55 | C56 | H83 | 176.8° | 176.8° |
| H80 | C55 | C57 | H84 | 63.7° | 63.7° |
| H80 | C55 | C57 | H85 | 176.3° | 176.3° |
| H80 | C55 | C57 | H86 | 56.3° | 56.3° |
| H81 | C56 | H82 | H83 | 120.0° | 120.0° |
| H84 | C57 | H85 | H86 | 120.0° | 120.0° |
| N15 | C58 | C59 | C60 | 129.4° | 129.4° |
| N15 | C58 | C59 | H88 | 114.8° | 114.8° |
| N15 | C58 | C60 | H88 | 116.3° | 116.3° |
| N15 | C58 | C59 | O15 | 18.4° | 18.4° |
| N15 | C58 | C60 | C61 | 60.3° | 60.3° |
| C58 | N15 | H87 | C53 | 180.0° | 180.0° |
| N15 | C58 | C60 | H89 | 179.1° | 179.1° |
| N15 | C58 | C59 | N16 | 162.6° | 162.6° |
| N15 | C58 | C60 | S4 | 62.6° | 62.6° |
| C59 | C58 | C60 | H88 | 115.6° | 115.6° |
| C58 | C59 | O15 | N16 | 178.9° | 178.9° |
| C59 | C58 | C60 | C61 | 171.6° | 171.6° |
| C59 | C58 | N15 | H87 | 86.1° | 86.2° |
| C59 | C58 | C60 | H89 | 50.9° | 51.0° |
| C58 | C59 | N16 | C62 | 167.2° | 167.2° |
| C58 | C59 | N16 | H93 | 12.7° | 12.7° |
| C59 | C58 | N15 | C53 | 93.8° | 93.8° |
| C59 | C58 | C60 | S4 | 65.5° | 65.5° |
| C60 | C58 | C59 | O15 | 111.1° | 111.1° |
| C58 | C60 | C61 | H89 | 120.7° | 120.8° |
| C58 | C60 | C61 | S4 | 124.7° | 124.7° |
| C60 | C58 | N15 | H87 | 43.9° | 43.9° |
| C58 | C60 | H89 | S4 | 120.5° | 120.5° |
| C58 | C60 | C61 | H90 | 180.0° | 180.0° |
| C58 | C60 | C61 | H91 | 60.0° | 60.0° |
| C58 | C60 | C61 | H92 | 60.0° | 60.0° |
| C58 | C60 | S4 | C79 | 83.4° | 83.4° |
| C60 | C58 | N15 | C53 | 136.1° | 136.1° |
| C60 | C58 | C59 | N16 | 67.9° | 67.9° |
| O15 | C59 | C58 | H88 | 133.2° | 133.2° |
| O15 | C59 | N16 | C62 | 11.7° | 11.7° |
| O15 | C59 | N16 | H93 | 168.3° | 168.3° |
| C61 | C60 | C58 | H88 | 56.0° | 56.0° |
| C61 | C60 | H89 | S4 | 116.6° | 116.5° |
| C60 | C61 | H90 | H91 | 120.0° | 120.0° |
| C60 | C61 | H90 | H92 | 120.0° | 120.0° |
| C60 | C61 | H91 | H92 | 120.0° | 120.0° |
| C61 | C60 | S4 | C79 | 151.5° | 151.5° |
| H87 | N15 | C58 | H88 | 159.8° | 159.7° |
| H88 | C58 | C60 | H89 | 64.6° | 64.6° |
| H88 | C58 | N15 | C53 | 20.3° | 20.3° |
| H88 | C58 | C59 | N16 | 47.8° | 47.8° |
| H88 | C58 | C60 | S4 | 178.9° | 178.9° |
| H89 | C60 | C61 | H90 | 59.3° | 59.3° |
| H89 | C60 | C61 | H91 | 179.3° | 179.3° |
| H89 | C60 | C61 | H92 | 60.7° | 60.7° |
| H89 | C60 | S4 | C79 | 35.0° | 35.0° |
| H90 | C61 | H91 | H92 | 120.0° | 120.0° |
| H90 | C61 | C60 | S4 | 55.3° | 55.3° |
| H91 | C61 | C60 | S4 | 64.7° | 64.7° |
| H92 | C61 | C60 | S4 | 175.3° | 175.3° |
| C62 | N16 | H93 | C59 | 180.0° | 180.0° |
| N16 | C62 | C63 | C64 | 175.6° | 175.6° |
| N16 | C62 | C63 | H94 | 175.6° | 175.6° |
| N16 | C62 | C63 | H95 | 4.4° | 4.4° |
| N16 | C62 | C64 | O16 | 152.6° | 152.6° |
| N16 | C62 | C64 | N17 | 27.4° | 27.4° |
| H93 | N16 | C62 | C63 | 52.7° | 52.7° |
| H93 | N16 | C62 | C64 | 123.1° | 123.1° |
| C62 | C63 | H94 | H95 | 180.0° | 180.0° |
| C63 | C62 | C64 | O16 | 31.7° | 31.7° |
| C63 | C62 | N16 | C59 | 127.3° | 127.3° |
| C63 | C62 | C64 | N17 | 148.3° | 148.3° |
| C64 | C62 | C63 | H94 | 0.0° | 0.0° |
| C64 | C62 | C63 | H95 | 180.0° | 180.0° |
| C62 | C64 | O16 | N17 | 180.0° | 180.0° |
| C62 | C64 | N17 | C65 | 178.9° | 178.9° |
| C62 | C64 | N17 | H96 | 1.1° | 1.1° |
| C64 | C62 | N16 | C59 | 56.9° | 56.9° |
| O16 | C64 | N17 | C65 | 1.2° | 1.2° |
| O16 | C64 | N17 | H96 | 178.8° | 178.8° |
| C65 | N17 | H96 | C64 | 180.0° | 180.0° |
| N17 | C65 | C66 | C67 | 133.7° | 133.7° |
| N17 | C65 | C66 | H97 | 113.9° | 113.9° |
| N17 | C65 | C67 | H97 | 115.0° | 115.0° |
| N17 | C65 | C66 | O17 | 166.2° | 166.2° |
| N17 | C65 | C67 | C68 | 54.8° | 54.8° |
| N17 | C65 | C67 | H98 | 66.2° | 66.2° |
| N17 | C65 | C67 | H99 | 175.7° | 175.7° |
| N17 | C65 | C66 | N18 | 12.9° | 12.9° |
| H96 | N17 | C65 | C66 | 99.5° | 99.5° |
| H96 | N17 | C65 | C67 | 32.5° | 32.5° |
| H96 | N17 | C65 | H97 | 147.1° | 147.1° |
| C66 | C65 | C67 | H97 | 112.3° | 112.3° |
| C65 | C66 | O17 | N18 | 179.0° | 179.0° |
| C66 | C65 | C67 | C68 | 172.5° | 172.5° |
| C66 | C65 | C67 | H98 | 66.5° | 66.5° |
| C66 | C65 | C67 | H99 | 51.6° | 51.6° |
| C65 | C66 | N18 | C70 | 169.3° | 169.3° |
| C65 | C66 | N18 | H103 | 10.7° | 10.7° |
| C66 | C65 | N17 | C64 | 80.5° | 80.5° |
| C67 | C65 | C66 | O17 | 60.2° | 60.2° |
| C65 | C67 | C68 | H98 | 120.9° | 120.9° |
| C65 | C67 | C68 | H99 | 120.9° | 120.9° |
| C65 | C67 | H98 | H99 | 117.0° | 117.0° |
| C65 | C67 | C68 | C69 | 155.0° | 155.0° |
| C65 | C67 | C68 | H100 | 33.9° | 33.9° |
| C65 | C67 | C68 | H101 | 83.9° | 83.9° |
| C67 | C65 | N17 | C64 | 147.5° | 147.5° |
| C67 | C65 | C66 | N18 | 120.8° | 120.8° |
| H97 | C65 | C66 | O17 | 52.2° | 52.2° |
| H97 | C65 | C67 | C68 | 60.2° | 60.2° |
| H97 | C65 | C67 | H98 | 178.8° | 178.8° |
| H97 | C65 | C67 | H99 | 60.7° | 60.7° |
| H97 | C65 | N17 | C64 | 32.9° | 32.9° |
| H97 | C65 | C66 | N18 | 126.8° | 126.8° |
| O17 | C66 | N18 | C70 | 9.7° | 9.7° |
| O17 | C66 | N18 | H103 | 170.3° | 170.3° |
| C68 | C67 | H98 | H99 | 117.0° | 117.0° |
| C67 | C68 | C69 | H100 | 121.1° | 121.1° |
| C67 | C68 | C69 | H101 | 121.1° | 121.1° |
| C67 | C68 | H100 | H101 | 116.5° | 116.5° |
| C67 | C68 | C69 | O18 | 20.2° | 20.2° |
| C67 | C68 | C69 | O19 | 158.8° | 158.8° |
| H98 | C67 | C68 | C69 | 84.0° | 84.0° |
| H98 | C67 | C68 | H100 | 154.9° | 154.9° |
| H98 | C67 | C68 | H101 | 37.1° | 37.1° |
| H99 | C67 | C68 | C69 | 34.1° | 34.1° |
| H99 | C67 | C68 | H100 | 87.0° | 87.0° |
| H99 | C67 | C68 | H101 | 155.2° | 155.2° |
| C69 | C68 | H100 | H101 | 116.4° | 116.4° |
| C68 | C69 | O18 | O19 | 178.9° | 178.9° |
| C68 | C69 | O19 | H102 | 179.0° | 179.0° |
| H100 | C68 | C69 | O18 | 100.9° | 100.9° |
| H100 | C68 | C69 | O19 | 80.1° | 80.1° |
| H101 | C68 | C69 | O18 | 141.3° | 141.3° |
| H101 | C68 | C69 | O19 | 37.6° | 37.6° |
| O18 | C69 | O19 | H102 | 0.0° | 0.0° |
| C70 | N18 | H103 | C66 | 180.0° | 180.0° |
| N18 | C70 | C71 | C72 | 130.6° | 130.6° |
| N18 | C70 | C71 | H104 | 113.0° | 113.0° |
| N18 | C70 | C72 | H104 | 113.7° | 113.7° |
| N18 | C70 | C71 | O20 | 49.6° | 49.6° |
| N18 | C70 | C72 | S3 | 55.4° | 55.4° |
| N18 | C70 | C72 | H105 | 64.5° | 64.5° |
| N18 | C70 | C72 | H106 | 175.2° | 175.2° |
| N18 | C70 | C71 | N19 | 132.2° | 132.2° |
| H103 | N18 | C70 | C71 | 69.3° | 69.3° |
| H103 | N18 | C70 | C72 | 64.9° | 64.9° |
| H103 | N18 | C70 | H104 | 178.0° | 178.0° |
| C71 | C70 | C72 | H104 | 116.5° | 116.5° |
| C70 | C71 | O20 | N19 | 178.2° | 178.2° |
| C71 | C70 | C72 | S3 | 174.8° | 174.8° |
| C71 | C70 | C72 | H105 | 65.3° | 65.3° |
| C71 | C70 | C72 | H106 | 55.0° | 55.0° |
| C70 | C71 | N19 | C73 | 177.2° | 177.2° |
| C70 | C71 | N19 | H107 | 2.9° | 2.9° |
| C71 | C70 | N18 | C66 | 110.7° | 110.7° |
| C72 | C70 | C71 | O20 | 179.7° | 179.7° |
| C70 | C72 | S3 | H105 | 119.8° | 119.8° |
| C70 | C72 | S3 | H106 | 119.8° | 119.8° |
| C70 | C72 | H105 | H106 | 120.5° | 120.5° |
| C70 | C72 | S3 | C50 | 161.7° | 161.7° |
| C72 | C70 | N18 | C66 | 115.1° | 115.1° |
| C72 | C70 | C71 | N19 | 1.6° | 1.6° |
| H104 | C70 | C71 | O20 | 63.4° | 63.4° |
| H104 | C70 | C72 | S3 | 58.3° | 58.3° |
| H104 | C70 | C72 | H105 | 178.1° | 178.1° |
| H104 | C70 | C72 | H106 | 61.5° | 61.5° |
| H104 | C70 | N18 | C66 | 2.0° | 2.0° |
| H104 | C70 | C71 | N19 | 114.8° | 114.8° |
| O20 | C71 | N19 | C73 | 0.9° | 0.9° |
| O20 | C71 | N19 | H107 | 179.1° | 179.1° |
| S3 | C72 | H105 | H106 | 120.5° | 120.5° |
| H105 | C72 | S3 | C50 | 78.5° | 78.5° |
| H106 | C72 | S3 | C50 | 41.9° | 41.9° |
| C73 | N19 | H107 | C71 | 180.0° | 180.0° |
| N19 | C73 | C74 | C75 | 131.2° | 131.2° |
| N19 | C73 | C74 | H108 | 113.5° | 113.5° |
| N19 | C73 | C75 | H108 | 114.8° | 114.8° |
| N19 | C73 | C74 | O21 | 130.1° | 130.1° |
| N19 | C73 | C75 | C76 | 57.3° | 57.3° |
| N19 | C73 | C75 | C77 | 176.1° | 176.1° |
| N19 | C73 | C75 | H109 | 61.1° | 61.1° |
| N19 | C73 | C74 | N20 | 51.0° | 51.0° |
| H107 | N19 | C73 | C74 | 120.2° | 120.2° |
| H107 | N19 | C73 | C75 | 12.2° | 12.2° |
| H107 | N19 | C73 | H108 | 126.6° | 126.6° |
| C74 | C73 | C75 | H108 | 115.5° | 115.5° |
| C73 | C74 | O21 | N20 | 178.9° | 178.9° |
| C74 | C73 | C75 | C76 | 172.9° | 172.9° |
| C74 | C73 | C75 | C77 | 46.3° | 46.3° |
| C74 | C73 | C75 | H109 | 68.6° | 68.6° |
| C73 | C74 | N20 | C80 | 176.7° | 176.7° |
| C73 | C74 | N20 | H118 | 3.3° | 3.3° |
| C74 | C73 | N19 | C71 | 59.8° | 59.8° |
| C75 | C73 | C74 | O21 | 98.8° | 98.8° |
| C73 | C75 | C76 | C77 | 125.1° | 125.1° |
| C73 | C75 | C76 | H109 | 118.5° | 118.5° |
| C73 | C75 | C77 | H109 | 114.9° | 114.9° |
| C73 | C75 | C76 | C78 | 82.1° | 82.1° |
| C73 | C75 | C76 | H110 | 38.9° | 38.9° |
| C73 | C75 | C76 | H111 | 156.9° | 156.9° |
| C73 | C75 | C77 | H112 | 180.0° | 180.0° |
| C73 | C75 | C77 | H113 | 60.0° | 60.0° |
| C73 | C75 | C77 | H114 | 60.0° | 60.0° |
| C75 | C73 | C74 | N20 | 80.1° | 80.1° |
| C75 | C73 | N19 | C71 | 167.8° | 167.8° |
| H108 | C73 | C74 | O21 | 16.6° | 16.6° |
| H108 | C73 | C75 | C76 | 57.4° | 57.4° |
| H108 | C73 | C75 | C77 | 69.2° | 69.2° |
| H108 | C73 | C75 | H109 | 175.9° | 175.9° |
| H108 | C73 | C74 | N20 | 164.5° | 164.5° |
| H108 | C73 | N19 | C71 | 53.4° | 53.4° |
| O21 | C74 | N20 | C80 | 4.3° | 4.3° |
| O21 | C74 | N20 | H118 | 175.7° | 175.7° |
| C76 | C75 | C77 | H109 | 116.3° | 116.3° |
| C75 | C76 | C78 | H110 | 121.0° | 121.0° |
| C75 | C76 | C78 | H111 | 121.0° | 121.0° |
| C75 | C76 | H110 | H111 | 116.9° | 116.9° |
| C76 | C75 | C77 | H112 | 51.3° | 51.3° |
| C76 | C75 | C77 | H113 | 171.2° | 171.2° |
| C76 | C75 | C77 | H114 | 68.8° | 68.8° |
| C75 | C76 | C78 | H115 | 180.0° | 180.0° |
| C75 | C76 | C78 | H116 | 60.0° | 60.0° |
| C75 | C76 | C78 | H117 | 60.0° | 60.0° |
| C77 | C75 | C76 | C78 | 43.0° | 43.0° |
| C77 | C75 | C76 | H110 | 164.0° | 164.0° |
| C77 | C75 | C76 | H111 | 78.0° | 78.0° |
| C75 | C77 | H112 | H113 | 120.0° | 120.0° |
| C75 | C77 | H112 | H114 | 120.0° | 120.0° |
| C75 | C77 | H113 | H114 | 120.0° | 120.0° |
| H109 | C75 | C76 | C78 | 159.4° | 159.4° |
| H109 | C75 | C76 | H110 | 79.6° | 79.6° |
| H109 | C75 | C76 | H111 | 38.4° | 38.4° |
| H109 | C75 | C77 | H112 | 65.1° | 65.1° |
| H109 | C75 | C77 | H113 | 54.9° | 54.9° |
| H109 | C75 | C77 | H114 | 174.9° | 174.9° |
| C78 | C76 | H110 | H111 | 116.8° | 116.8° |
| C76 | C78 | H115 | H116 | 120.0° | 120.0° |
| C76 | C78 | H115 | H117 | 120.0° | 120.0° |
| C76 | C78 | H116 | H117 | 120.0° | 120.0° |
| H110 | C76 | C78 | H115 | 59.0° | 59.0° |
| H110 | C76 | C78 | H116 | 179.0° | 179.0° |
| H110 | C76 | C78 | H117 | 61.0° | 61.0° |
| H111 | C76 | C78 | H115 | 59.0° | 59.0° |
| H111 | C76 | C78 | H116 | 61.0° | 61.0° |
| H111 | C76 | C78 | H117 | 179.0° | 179.0° |
| H112 | C77 | H113 | H114 | 120.0° | 120.0° |
| H115 | C78 | H116 | H117 | 120.0° | 120.0° |
| C80 | N20 | H118 | C74 | 180.0° | 180.0° |
| N20 | C80 | C79 | H120 | 180.0° | 180.0° |
| N20 | C80 | C79 | S4 | 16.5° | 16.5° |
| N20 | C80 | C79 | H119 | 163.4° | 163.4° |
| H118 | N20 | C80 | C79 | 27.4° | 27.4° |
| H118 | N20 | C80 | H120 | 152.6° | 152.6° |
| C80 | C79 | S4 | H119 | 180.0° | 180.0° |
| C80 | C79 | S4 | C60 | 106.4° | 106.4° |
| C79 | C80 | N20 | C74 | 152.6° | 152.6° |
| S4 | C79 | C80 | H120 | 163.5° | 163.5° |
| H119 | C79 | C80 | H120 | 16.5° | 16.5° |
| H119 | C79 | S4 | C60 | 73.6° | 73.6° |
| H120 | C80 | N20 | C74 | 27.4° | 27.4° |
