PRD_000194
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C1 | sing | 1.48Å | 1.48Å | |
| N1 | H1 | sing | 1.00Å | 1.00Å | |
| N1 | H2 | sing | 1.00Å | 1.00Å | |
| C1 | C2 | sing | 1.54Å | 1.54Å | |
| C1 | C3 | sing | 1.56Å | 1.56Å | |
| C1 | H3 | sing | 1.10Å | 1.10Å | |
| C2 | H4 | sing | 1.10Å | 1.10Å | |
| C2 | H5 | sing | 1.10Å | 1.10Å | |
| C3 | O1 | doub | 1.24Å | 1.24Å | |
| N2 | C4 | sing | 1.49Å | 1.49Å | |
| N2 | H6 | sing | 1.00Å | 1.00Å | |
| C4 | C5 | sing | 1.56Å | 1.56Å | |
| C4 | C6 | sing | 1.55Å | 1.55Å | |
| C4 | H7 | sing | 1.10Å | 1.10Å | |
| C5 | O2 | doub | 1.24Å | 1.24Å | |
| C6 | O3 | sing | 1.42Å | 1.42Å | |
| C6 | H8 | sing | 1.10Å | 1.10Å | |
| C6 | H9 | sing | 1.10Å | 1.10Å | |
| O3 | H10 | sing | 0.95Å | 0.95Å | |
| N3 | C7 | sing | 1.48Å | 1.48Å | |
| N3 | H11 | sing | 1.00Å | 1.00Å | |
| C7 | C8 | sing | 1.55Å | 1.55Å | |
| C7 | H12 | sing | 1.10Å | 1.10Å | |
| C7 | H13 | sing | 1.10Å | 1.10Å | |
| C8 | O4 | doub | 1.24Å | 1.24Å | |
| N4 | C9 | sing | 1.49Å | 1.49Å | |
| N4 | H14 | sing | 1.00Å | 1.00Å | |
| C9 | C10 | sing | 1.56Å | 1.56Å | |
| C9 | C11 | sing | 1.55Å | 1.55Å | |
| C9 | H15 | sing | 1.10Å | 1.10Å | |
| C10 | O5 | doub | 1.24Å | 1.24Å | |
| C11 | C12 | sing | 1.53Å | 1.53Å | |
| C11 | H16 | sing | 1.10Å | 1.10Å | |
| C11 | H17 | sing | 1.10Å | 1.10Å | |
| C12 | C13 | doub | 1.41Å | 1.41Å | Aromatic |
| C12 | C14 | sing | 1.38Å | 1.38Å | Aromatic |
| C13 | N5 | sing | 1.41Å | 1.41Å | Aromatic |
| C13 | H18 | sing | 1.08Å | 1.08Å | |
| C14 | C15 | doub | 1.42Å | 1.42Å | Aromatic |
| C14 | C16 | sing | 1.42Å | 1.42Å | Aromatic |
| N5 | C15 | sing | 1.39Å | 1.39Å | Aromatic |
| N5 | H19 | sing | 1.00Å | 1.00Å | |
| C15 | C17 | sing | 1.42Å | 1.42Å | Aromatic |
| C16 | C18 | doub | 1.39Å | 1.39Å | Aromatic |
| C16 | H20 | sing | 1.08Å | 1.08Å | |
| C17 | C19 | doub | 1.40Å | 1.40Å | Aromatic |
| C17 | H21 | sing | 1.08Å | 1.08Å | |
| C18 | C19 | sing | 1.40Å | 1.40Å | Aromatic |
| C18 | H22 | sing | 1.08Å | 1.08Å | |
| C19 | H23 | sing | 1.08Å | 1.08Å | |
| N6 | C20 | sing | 1.50Å | 1.50Å | |
| N6 | H24 | sing | 1.00Å | 1.00Å | |
| C20 | C21 | sing | 1.56Å | 1.56Å | |
| C20 | C22 | sing | 1.58Å | 1.58Å | |
| C20 | H25 | sing | 1.10Å | 1.10Å | |
| C21 | O6 | doub | 1.23Å | 1.23Å | |
| C22 | C23 | sing | 1.55Å | 1.55Å | |
| C22 | C24 | sing | 1.55Å | 1.55Å | |
| C22 | H26 | sing | 1.10Å | 1.10Å | |
| C23 | H27 | sing | 1.10Å | 1.10Å | |
| C23 | H28 | sing | 1.10Å | 1.10Å | |
| C23 | H29 | sing | 1.10Å | 1.10Å | |
| C24 | H30 | sing | 1.10Å | 1.10Å | |
| C24 | H31 | sing | 1.10Å | 1.10Å | |
| C24 | H32 | sing | 1.10Å | 1.10Å | |
| N7 | C25 | sing | 1.49Å | 1.49Å | |
| N7 | H33 | sing | 1.00Å | 1.00Å | |
| C25 | C26 | sing | 1.56Å | 1.56Å | |
| C25 | C27 | sing | 1.54Å | 1.54Å | |
| C25 | H34 | sing | 1.10Å | 1.10Å | |
| C26 | O7 | doub | 1.23Å | 1.23Å | |
| C27 | S1 | sing | 1.81Å | 1.81Å | |
| C27 | H35 | sing | 1.10Å | 1.10Å | |
| C27 | H36 | sing | 1.10Å | 1.10Å | |
| N8 | C28 | sing | 1.49Å | 1.49Å | |
| C28 | C29 | sing | 1.56Å | 1.56Å | |
| C28 | C30 | sing | 1.57Å | 1.57Å | |
| C29 | O8 | doub | 1.24Å | 1.24Å | |
| C30 | C31 | sing | 1.55Å | 1.55Å | |
| N8 | H37 | sing | 1.00Å | 1.00Å | |
| C28 | H38 | sing | 1.10Å | 1.10Å | |
| C30 | H39 | sing | 1.10Å | 1.10Å | |
| C31 | H40 | sing | 1.10Å | 1.10Å | |
| C31 | H41 | sing | 1.10Å | 1.10Å | |
| C31 | H42 | sing | 1.10Å | 1.10Å | |
| N9 | C32 | sing | 1.50Å | 1.50Å | |
| N9 | H43 | sing | 1.00Å | 1.00Å | |
| C32 | C33 | sing | 1.56Å | 1.56Å | |
| C32 | C34 | sing | 1.56Å | 1.56Å | |
| C32 | H44 | sing | 1.10Å | 1.10Å | |
| C33 | O9 | doub | 1.24Å | 1.24Å | |
| C34 | C35 | sing | 1.56Å | 1.56Å | |
| C34 | H45 | sing | 1.10Å | 1.10Å | |
| C34 | H46 | sing | 1.10Å | 1.10Å | |
| C35 | C36 | sing | 1.54Å | 1.54Å | |
| C35 | C37 | sing | 1.54Å | 1.54Å | |
| C35 | H47 | sing | 1.10Å | 1.10Å | |
| C36 | H48 | sing | 1.10Å | 1.10Å | |
| C36 | H49 | sing | 1.10Å | 1.10Å | |
| C36 | H50 | sing | 1.10Å | 1.10Å | |
| C37 | H51 | sing | 1.10Å | 1.10Å | |
| C37 | H52 | sing | 1.10Å | 1.10Å | |
| C37 | H53 | sing | 1.10Å | 1.10Å | |
| N10 | C38 | sing | 1.49Å | 1.49Å | |
| C38 | C39 | sing | 1.56Å | 1.56Å | |
| C38 | C40 | sing | 1.56Å | 1.56Å | |
| C39 | O10 | doub | 1.23Å | 1.23Å | |
| C40 | C41 | sing | 1.54Å | 1.54Å | |
| N10 | H54 | sing | 1.00Å | 1.00Å | |
| C38 | H55 | sing | 1.10Å | 1.10Å | |
| C40 | H56 | sing | 1.10Å | 1.10Å | |
| C41 | H57 | sing | 1.10Å | 1.10Å | |
| C41 | H58 | sing | 1.10Å | 1.10Å | |
| C41 | H59 | sing | 1.10Å | 1.10Å | |
| N11 | C42 | sing | 1.49Å | 1.49Å | |
| N11 | H60 | sing | 1.00Å | 1.00Å | |
| C42 | C43 | sing | 1.56Å | 1.56Å | |
| C42 | C44 | sing | 1.58Å | 1.58Å | |
| C42 | H61 | sing | 1.10Å | 1.10Å | |
| C43 | O11 | doub | 1.24Å | 1.24Å | |
| C44 | C45 | sing | 1.56Å | 1.56Å | |
| C44 | C46 | sing | 1.55Å | 1.55Å | |
| C44 | H62 | sing | 1.10Å | 1.10Å | |
| C45 | C47 | sing | 1.54Å | 1.54Å | |
| C45 | H63 | sing | 1.10Å | 1.10Å | |
| C45 | H64 | sing | 1.10Å | 1.10Å | |
| C46 | H65 | sing | 1.10Å | 1.10Å | |
| C46 | H66 | sing | 1.10Å | 1.10Å | |
| C46 | H67 | sing | 1.10Å | 1.10Å | |
| C47 | H68 | sing | 1.10Å | 1.10Å | |
| C47 | H69 | sing | 1.10Å | 1.10Å | |
| C47 | H70 | sing | 1.10Å | 1.10Å | |
| N12 | C48 | sing | 1.50Å | 1.50Å | |
| N12 | H71 | sing | 1.00Å | 1.00Å | |
| C48 | C49 | sing | 1.57Å | 1.57Å | |
| C48 | C50 | sing | 1.57Å | 1.57Å | |
| C48 | H72 | sing | 1.10Å | 1.10Å | |
| C49 | O12 | doub | 1.23Å | 1.23Å | |
| C50 | C51 | sing | 1.54Å | 1.54Å | |
| C50 | H73 | sing | 1.10Å | 1.10Å | |
| C50 | H74 | sing | 1.10Å | 1.10Å | |
| C51 | C52 | sing | 1.53Å | 1.53Å | |
| C51 | H75 | sing | 1.10Å | 1.10Å | |
| C51 | H76 | sing | 1.10Å | 1.10Å | |
| C52 | O13 | doub | 1.23Å | 1.23Å | |
| C52 | O14 | sing | 1.37Å | 1.37Å | |
| O14 | H77 | sing | 0.95Å | 0.95Å | |
| N13 | C53 | sing | 1.50Å | 1.50Å | |
| N13 | H78 | sing | 1.00Å | 1.00Å | |
| C53 | C54 | sing | 1.56Å | 1.56Å | |
| C53 | C55 | sing | 1.55Å | 1.55Å | |
| C53 | H79 | sing | 1.10Å | 1.10Å | |
| C54 | O15 | doub | 1.24Å | 1.24Å | |
| C55 | S2 | sing | 1.81Å | 1.81Å | |
| C55 | H80 | sing | 1.10Å | 1.10Å | |
| C55 | H81 | sing | 1.10Å | 1.10Å | |
| N14 | C56 | sing | 1.48Å | 1.48Å | |
| N14 | H82 | sing | 1.00Å | 1.00Å | |
| C56 | C57 | sing | 1.54Å | 1.54Å | |
| C56 | H83 | sing | 1.10Å | 1.10Å | |
| C56 | H84 | sing | 1.10Å | 1.10Å | |
| C57 | O16 | doub | 1.23Å | 1.23Å | |
| N15 | C58 | sing | 1.50Å | 1.50Å | |
| C58 | C59 | sing | 1.58Å | 1.58Å | |
| C58 | C60 | sing | 1.57Å | 1.57Å | |
| C59 | O17 | doub | 1.24Å | 1.24Å | |
| C60 | C61 | sing | 1.54Å | 1.54Å | |
| N15 | H85 | sing | 1.00Å | 1.00Å | |
| C58 | H86 | sing | 1.10Å | 1.10Å | |
| C60 | H87 | sing | 1.10Å | 1.10Å | |
| C61 | H88 | sing | 1.10Å | 1.10Å | |
| C61 | H89 | sing | 1.10Å | 1.10Å | |
| C61 | H90 | sing | 1.10Å | 1.10Å | |
| N16 | C62 | sing | 1.50Å | 1.50Å | |
| N16 | H91 | sing | 1.00Å | 1.00Å | |
| C62 | C63 | sing | 1.57Å | 1.57Å | |
| C62 | C64 | sing | 1.57Å | 1.57Å | |
| C62 | H92 | sing | 1.10Å | 1.10Å | |
| C63 | O18 | doub | 1.23Å | 1.23Å | |
| C64 | C65 | sing | 1.55Å | 1.55Å | |
| C64 | C66 | sing | 1.54Å | 1.54Å | |
| C64 | H93 | sing | 1.10Å | 1.10Å | |
| C65 | H94 | sing | 1.10Å | 1.10Å | |
| C65 | H95 | sing | 1.10Å | 1.10Å | |
| C65 | H96 | sing | 1.10Å | 1.10Å | |
| C66 | H97 | sing | 1.10Å | 1.10Å | |
| C66 | H98 | sing | 1.10Å | 1.10Å | |
| C66 | H99 | sing | 1.10Å | 1.10Å | |
| N17 | C67 | sing | 1.50Å | 1.50Å | |
| N17 | H100 | sing | 1.00Å | 1.00Å | |
| C67 | C68 | sing | 1.57Å | 1.57Å | |
| C67 | C69 | sing | 1.58Å | 1.58Å | |
| C67 | H101 | sing | 1.10Å | 1.10Å | |
| C68 | O19 | doub | 1.23Å | 1.23Å | |
| C69 | C70 | sing | 1.56Å | 1.56Å | |
| C69 | C71 | sing | 1.55Å | 1.55Å | |
| C69 | H102 | sing | 1.10Å | 1.10Å | |
| C70 | C72 | sing | 1.54Å | 1.54Å | |
| C70 | H103 | sing | 1.10Å | 1.10Å | |
| C70 | H104 | sing | 1.10Å | 1.10Å | |
| C71 | H105 | sing | 1.10Å | 1.10Å | |
| C71 | H106 | sing | 1.10Å | 1.10Å | |
| C71 | H107 | sing | 1.10Å | 1.10Å | |
| C72 | H108 | sing | 1.10Å | 1.10Å | |
| C72 | H109 | sing | 1.10Å | 1.10Å | |
| C72 | H110 | sing | 1.10Å | 1.10Å | |
| N18 | C73 | sing | 1.49Å | 1.49Å | |
| N18 | H111 | sing | 1.00Å | 1.00Å | |
| C73 | C74 | sing | 1.56Å | 1.56Å | |
| C73 | C75 | sing | 1.56Å | 1.56Å | |
| C73 | H112 | sing | 1.10Å | 1.10Å | |
| C74 | O20 | doub | 1.24Å | 1.24Å | |
| C75 | S3 | sing | 1.81Å | 1.81Å | |
| C75 | H113 | sing | 1.10Å | 1.10Å | |
| C75 | H114 | sing | 1.10Å | 1.10Å | |
| N19 | C76 | sing | 1.50Å | 1.50Å | |
| N19 | H115 | sing | 1.00Å | 1.00Å | |
| C76 | C77 | sing | 1.55Å | 1.55Å | |
| C76 | C78 | sing | 1.54Å | 1.54Å | |
| C76 | H116 | sing | 1.10Å | 1.10Å | |
| C77 | O21 | doub | 1.23Å | 1.23Å | |
| C78 | H117 | sing | 1.10Å | 1.10Å | |
| C78 | H118 | sing | 1.10Å | 1.10Å | |
| C78 | H119 | sing | 1.10Å | 1.10Å | |
| N20 | C79 | sing | 1.47Å | 1.47Å | |
| N20 | H120 | sing | 1.00Å | 1.00Å | |
| C79 | C80 | sing | 1.54Å | 1.54Å | |
| C79 | C81 | sing | 1.56Å | 1.56Å | |
| C79 | H121 | sing | 1.10Å | 1.10Å | |
| C80 | O22 | doub | 1.23Å | 1.23Å | |
| C80 | O23 | sing | 1.43Å | 1.43Å | |
| C81 | S4 | sing | 1.81Å | 1.81Å | |
| C81 | H122 | sing | 1.10Å | 1.10Å | |
| C81 | H123 | sing | 1.10Å | 1.10Å | |
| O23 | H124 | sing | 0.95Å | 0.95Å | |
| C3 | N2 | sing | 1.35Å | 1.35Å | |
| C2 | S1 | sing | 1.81Å | 1.81Å | |
| C26 | N8 | sing | 1.32Å | 1.32Å | |
| C29 | N9 | sing | 1.35Å | 1.35Å | |
| C30 | S2 | sing | 1.84Å | 1.84Å | |
| C33 | N10 | sing | 1.35Å | 1.35Å | |
| C40 | S3 | sing | 1.82Å | 1.82Å | |
| C39 | N11 | sing | 1.35Å | 1.35Å | |
| C57 | N15 | sing | 1.35Å | 1.35Å | |
| C60 | S4 | sing | 1.82Å | 1.82Å | |
| C59 | N16 | sing | 1.36Å | 1.36Å | |
| C5 | N3 | sing | 1.34Å | 1.34Å | |
| C8 | N4 | sing | 1.36Å | 1.36Å | |
| C10 | N6 | sing | 1.34Å | 1.34Å | |
| C21 | N7 | sing | 1.34Å | 1.34Å | |
| C43 | N12 | sing | 1.35Å | 1.35Å | |
| C49 | N13 | sing | 1.35Å | 1.35Å | |
| C54 | N14 | sing | 1.35Å | 1.35Å | |
| C63 | N17 | sing | 1.35Å | 1.35Å | |
| C68 | N18 | sing | 1.35Å | 1.35Å | |
| C74 | N19 | sing | 1.34Å | 1.34Å | |
| C77 | N20 | sing | 1.34Å | 1.34Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | N1 | H1 | 109.5° | 109.5° |
| C1 | N1 | H2 | 109.5° | 109.5° |
| N1 | C1 | C2 | 108.1° | 108.1° |
| N1 | C1 | C3 | 112.5° | 112.5° |
| N1 | C1 | H3 | 107.5° | 107.5° |
| H1 | N1 | H2 | 109.5° | 109.5° |
| C2 | C1 | C3 | 115.0° | 115.0° |
| C2 | C1 | H3 | 106.8° | 106.8° |
| C1 | C2 | H4 | 108.8° | 108.8° |
| C1 | C2 | H5 | 108.8° | 108.8° |
| C1 | C2 | S1 | 112.3° | 112.3° |
| C3 | C1 | H3 | 106.6° | 106.6° |
| C1 | C3 | O1 | 122.0° | 122.0° |
| C1 | C3 | N2 | 116.1° | 116.1° |
| H4 | C2 | H5 | 109.5° | 109.5° |
| H4 | C2 | S1 | 108.8° | 108.8° |
| H5 | C2 | S1 | 108.8° | 108.8° |
| O1 | C3 | N2 | 121.6° | 121.6° |
| C4 | N2 | H6 | 118.2° | 118.2° |
| N2 | C4 | C5 | 108.1° | 108.1° |
| N2 | C4 | C6 | 108.4° | 108.4° |
| N2 | C4 | H7 | 109.3° | 109.3° |
| C4 | N2 | C3 | 123.5° | 123.5° |
| H6 | N2 | C3 | 118.2° | 118.2° |
| C5 | C4 | C6 | 114.1° | 114.1° |
| C5 | C4 | H7 | 108.3° | 108.3° |
| C4 | C5 | O2 | 122.2° | 122.2° |
| C4 | C5 | N3 | 114.7° | 114.7° |
| C6 | C4 | H7 | 108.6° | 108.6° |
| C4 | C6 | O3 | 110.8° | 110.8° |
| C4 | C6 | H8 | 109.1° | 109.1° |
| C4 | C6 | H9 | 109.2° | 109.2° |
| O2 | C5 | N3 | 123.1° | 123.1° |
| O3 | C6 | H8 | 109.1° | 109.1° |
| O3 | C6 | H9 | 109.1° | 109.1° |
| C6 | O3 | H10 | 109.5° | 109.5° |
| H8 | C6 | H9 | 109.5° | 109.5° |
| C7 | N3 | H11 | 118.3° | 118.3° |
| N3 | C7 | C8 | 108.4° | 108.4° |
| N3 | C7 | H12 | 109.7° | 109.7° |
| N3 | C7 | H13 | 109.8° | 109.8° |
| C7 | N3 | C5 | 123.3° | 123.3° |
| H11 | N3 | C5 | 118.3° | 118.3° |
| C8 | C7 | H12 | 109.8° | 109.8° |
| C8 | C7 | H13 | 109.8° | 109.8° |
| C7 | C8 | O4 | 118.2° | 118.2° |
| C7 | C8 | N4 | 119.8° | 119.8° |
| H12 | C7 | H13 | 109.4° | 109.4° |
| O4 | C8 | N4 | 121.9° | 121.9° |
| C9 | N4 | H14 | 119.1° | 119.1° |
| N4 | C9 | C10 | 107.7° | 107.7° |
| N4 | C9 | C11 | 115.5° | 115.5° |
| N4 | C9 | H15 | 107.9° | 107.9° |
| C9 | N4 | C8 | 121.8° | 121.8° |
| H14 | N4 | C8 | 119.1° | 119.1° |
| C10 | C9 | C11 | 111.1° | 111.1° |
| C10 | C9 | H15 | 107.1° | 107.1° |
| C9 | C10 | O5 | 123.1° | 123.1° |
| C9 | C10 | N6 | 114.0° | 114.0° |
| C11 | C9 | H15 | 107.2° | 107.2° |
| C9 | C11 | C12 | 117.7° | 117.7° |
| C9 | C11 | H16 | 107.4° | 107.4° |
| C9 | C11 | H17 | 107.4° | 107.3° |
| O5 | C10 | N6 | 122.8° | 122.8° |
| C12 | C11 | H16 | 107.4° | 107.4° |
| C12 | C11 | H17 | 107.3° | 107.4° |
| C11 | C12 | C13 | 125.8° | 125.8° |
| C11 | C12 | C14 | 128.6° | 128.6° |
| H16 | C11 | H17 | 109.5° | 109.5° |
| C13 | C12 | C14 | 105.5° | 105.5° |
| C12 | C13 | N5 | 111.8° | 111.8° |
| C12 | C13 | H18 | 124.1° | 124.1° |
| C12 | C14 | C15 | 108.2° | 108.2° |
| C12 | C14 | C16 | 131.4° | 131.4° |
| N5 | C13 | H18 | 124.1° | 124.1° |
| C13 | N5 | C15 | 104.1° | 104.1° |
| C13 | N5 | H19 | 128.0° | 128.0° |
| C15 | C14 | C16 | 120.4° | 120.4° |
| C14 | C15 | N5 | 110.4° | 110.4° |
| C14 | C15 | C17 | 120.0° | 120.0° |
| C14 | C16 | C18 | 118.6° | 118.6° |
| C14 | C16 | H20 | 120.7° | 120.7° |
| C15 | N5 | H19 | 128.0° | 128.0° |
| N5 | C15 | C17 | 129.6° | 129.6° |
| C15 | C17 | C19 | 118.7° | 118.7° |
| C15 | C17 | H21 | 120.7° | 120.7° |
| C18 | C16 | H20 | 120.7° | 120.7° |
| C16 | C18 | C19 | 121.1° | 121.1° |
| C16 | C18 | H22 | 119.4° | 119.4° |
| C19 | C17 | H21 | 120.7° | 120.7° |
| C17 | C19 | C18 | 121.2° | 121.2° |
| C17 | C19 | H23 | 119.4° | 119.4° |
| C19 | C18 | H22 | 119.4° | 119.4° |
| C18 | C19 | H23 | 119.4° | 119.4° |
| C20 | N6 | H24 | 117.9° | 117.9° |
| N6 | C20 | C21 | 105.9° | 105.9° |
| N6 | C20 | C22 | 114.1° | 114.1° |
| N6 | C20 | H25 | 106.2° | 106.2° |
| C20 | N6 | C10 | 124.2° | 124.2° |
| H24 | N6 | C10 | 117.9° | 117.9° |
| C21 | C20 | C22 | 118.6° | 118.6° |
| C21 | C20 | H25 | 105.6° | 105.6° |
| C20 | C21 | O6 | 119.1° | 119.1° |
| C20 | C21 | N7 | 117.3° | 117.3° |
| C22 | C20 | H25 | 105.4° | 105.4° |
| C20 | C22 | C23 | 112.2° | 112.2° |
| C20 | C22 | C24 | 113.0° | 113.0° |
| C20 | C22 | H26 | 107.6° | 107.6° |
| O6 | C21 | N7 | 123.4° | 123.4° |
| C23 | C22 | C24 | 108.0° | 108.0° |
| C23 | C22 | H26 | 107.9° | 107.9° |
| C22 | C23 | H27 | 109.5° | 109.5° |
| C22 | C23 | H28 | 109.5° | 109.5° |
| C22 | C23 | H29 | 109.5° | 109.5° |
| C24 | C22 | H26 | 107.9° | 107.9° |
| C22 | C24 | H30 | 109.5° | 109.5° |
| C22 | C24 | H31 | 109.5° | 109.5° |
| C22 | C24 | H32 | 109.5° | 109.5° |
| H27 | C23 | H28 | 109.4° | 109.4° |
| H27 | C23 | H29 | 109.4° | 109.4° |
| H28 | C23 | H29 | 109.5° | 109.5° |
| H30 | C24 | H31 | 109.5° | 109.5° |
| H30 | C24 | H32 | 109.5° | 109.5° |
| H31 | C24 | H32 | 109.5° | 109.5° |
| C25 | N7 | H33 | 117.8° | 117.8° |
| N7 | C25 | C26 | 118.7° | 118.7° |
| N7 | C25 | C27 | 112.9° | 112.9° |
| N7 | C25 | H34 | 104.6° | 104.6° |
| C25 | N7 | C21 | 124.4° | 124.4° |
| H33 | N7 | C21 | 117.8° | 117.8° |
| C26 | C25 | C27 | 111.0° | 111.0° |
| C26 | C25 | H34 | 103.9° | 103.9° |
| C25 | C26 | O7 | 124.1° | 124.1° |
| C25 | C26 | N8 | 111.4° | 111.4° |
| C27 | C25 | H34 | 104.0° | 104.0° |
| C25 | C27 | S1 | 113.6° | 113.6° |
| C25 | C27 | H35 | 108.4° | 108.4° |
| C25 | C27 | H36 | 108.4° | 108.4° |
| O7 | C26 | N8 | 124.0° | 124.0° |
| S1 | C27 | H35 | 108.4° | 108.4° |
| S1 | C27 | H36 | 108.4° | 108.4° |
| C27 | S1 | C2 | 104.0° | 104.0° |
| H35 | C27 | H36 | 109.5° | 109.5° |
| N8 | C28 | C29 | 117.4° | 117.4° |
| N8 | C28 | C30 | 101.9° | 101.9° |
| C28 | N8 | H37 | 117.9° | 117.9° |
| N8 | C28 | H38 | 108.7° | 108.7° |
| C28 | N8 | C26 | 124.2° | 124.2° |
| C29 | C28 | C30 | 112.7° | 112.7° |
| C28 | C29 | O8 | 118.6° | 118.6° |
| C29 | C28 | H38 | 107.8° | 107.8° |
| C28 | C29 | N9 | 119.9° | 119.9° |
| C28 | C30 | C31 | 112.2° | 112.2° |
| C30 | C28 | H38 | 107.8° | 107.8° |
| C28 | C30 | H39 | 108.2° | 108.2° |
| C28 | C30 | S2 | 106.9° | 106.9° |
| O8 | C29 | N9 | 121.4° | 121.4° |
| C31 | C30 | H39 | 108.4° | 108.4° |
| C30 | C31 | H40 | 109.5° | 109.5° |
| C30 | C31 | H41 | 109.5° | 109.5° |
| C30 | C31 | H42 | 109.5° | 109.5° |
| C31 | C30 | S2 | 115.4° | 115.4° |
| H37 | N8 | C26 | 117.9° | 117.9° |
| H39 | C30 | S2 | 105.4° | 105.4° |
| H40 | C31 | H41 | 109.5° | 109.5° |
| H40 | C31 | H42 | 109.5° | 109.5° |
| H41 | C31 | H42 | 109.4° | 109.4° |
| C32 | N9 | H43 | 118.7° | 118.8° |
| N9 | C32 | C33 | 109.9° | 109.9° |
| N9 | C32 | C34 | 111.4° | 111.4° |
| N9 | C32 | H44 | 107.7° | 107.7° |
| C32 | N9 | C29 | 122.5° | 122.5° |
| H43 | N9 | C29 | 118.8° | 118.7° |
| C33 | C32 | C34 | 113.6° | 113.6° |
| C33 | C32 | H44 | 107.0° | 107.0° |
| C32 | C33 | O9 | 122.3° | 122.3° |
| C32 | C33 | N10 | 115.1° | 115.1° |
| C34 | C32 | H44 | 106.9° | 106.9° |
| C32 | C34 | C35 | 117.6° | 117.6° |
| C32 | C34 | H45 | 107.4° | 107.4° |
| C32 | C34 | H46 | 107.4° | 107.4° |
| O9 | C33 | N10 | 122.6° | 122.6° |
| C35 | C34 | H45 | 107.4° | 107.4° |
| C35 | C34 | H46 | 107.4° | 107.4° |
| C34 | C35 | C36 | 110.6° | 110.6° |
| C34 | C35 | C37 | 113.2° | 113.2° |
| C34 | C35 | H47 | 107.5° | 107.5° |
| H45 | C34 | H46 | 109.5° | 109.5° |
| C36 | C35 | C37 | 109.9° | 109.9° |
| C36 | C35 | H47 | 107.7° | 107.7° |
| C35 | C36 | H48 | 109.5° | 109.5° |
| C35 | C36 | H49 | 109.4° | 109.4° |
| C35 | C36 | H50 | 109.5° | 109.5° |
| C37 | C35 | H47 | 107.7° | 107.7° |
| C35 | C37 | H51 | 109.5° | 109.5° |
| C35 | C37 | H52 | 109.4° | 109.4° |
| C35 | C37 | H53 | 109.5° | 109.5° |
| H48 | C36 | H49 | 109.5° | 109.5° |
| H48 | C36 | H50 | 109.5° | 109.5° |
| H49 | C36 | H50 | 109.5° | 109.5° |
| H51 | C37 | H52 | 109.5° | 109.5° |
| H51 | C37 | H53 | 109.4° | 109.4° |
| H52 | C37 | H53 | 109.5° | 109.5° |
| N10 | C38 | C39 | 117.2° | 117.2° |
| N10 | C38 | C40 | 107.6° | 107.6° |
| C38 | N10 | H54 | 118.0° | 118.0° |
| N10 | C38 | H55 | 107.0° | 107.0° |
| C38 | N10 | C33 | 124.0° | 124.0° |
| C39 | C38 | C40 | 112.1° | 112.1° |
| C38 | C39 | O10 | 117.2° | 117.2° |
| C39 | C38 | H55 | 106.2° | 106.2° |
| C38 | C39 | N11 | 120.9° | 120.9° |
| C38 | C40 | C41 | 113.0° | 113.0° |
| C40 | C38 | H55 | 106.1° | 106.1° |
| C38 | C40 | H56 | 109.2° | 109.2° |
| C38 | C40 | S3 | 112.4° | 112.4° |
| O10 | C39 | N11 | 121.8° | 121.8° |
| C41 | C40 | H56 | 109.5° | 109.5° |
| C40 | C41 | H57 | 109.5° | 109.5° |
| C40 | C41 | H58 | 109.5° | 109.5° |
| C40 | C41 | H59 | 109.5° | 109.5° |
| C41 | C40 | S3 | 106.0° | 106.0° |
| H54 | N10 | C33 | 118.0° | 118.0° |
| H56 | C40 | S3 | 106.4° | 106.4° |
| H57 | C41 | H58 | 109.4° | 109.4° |
| H57 | C41 | H59 | 109.5° | 109.5° |
| H58 | C41 | H59 | 109.5° | 109.5° |
| C42 | N11 | H60 | 118.1° | 118.1° |
| N11 | C42 | C43 | 104.8° | 104.8° |
| N11 | C42 | C44 | 114.0° | 114.0° |
| N11 | C42 | H61 | 109.5° | 109.5° |
| C42 | N11 | C39 | 123.8° | 123.8° |
| H60 | N11 | C39 | 118.1° | 118.1° |
| C43 | C42 | C44 | 111.3° | 111.3° |
| C43 | C42 | H61 | 108.6° | 108.6° |
| C42 | C43 | O11 | 120.9° | 120.9° |
| C42 | C43 | N12 | 116.1° | 116.1° |
| C44 | C42 | H61 | 108.4° | 108.4° |
| C42 | C44 | C45 | 116.8° | 116.8° |
| C42 | C44 | C46 | 112.4° | 112.4° |
| C42 | C44 | H62 | 105.5° | 105.5° |
| O11 | C43 | N12 | 122.9° | 122.9° |
| C45 | C44 | C46 | 109.8° | 109.8° |
| C45 | C44 | H62 | 105.6° | 105.6° |
| C44 | C45 | C47 | 117.8° | 117.8° |
| C44 | C45 | H63 | 107.4° | 107.4° |
| C44 | C45 | H64 | 107.4° | 107.3° |
| C46 | C44 | H62 | 105.7° | 105.7° |
| C44 | C46 | H65 | 109.5° | 109.5° |
| C44 | C46 | H66 | 109.5° | 109.5° |
| C44 | C46 | H67 | 109.5° | 109.5° |
| C47 | C45 | H63 | 107.3° | 107.3° |
| C47 | C45 | H64 | 107.4° | 107.4° |
| C45 | C47 | H68 | 109.5° | 109.5° |
| C45 | C47 | H69 | 109.5° | 109.5° |
| C45 | C47 | H70 | 109.4° | 109.4° |
| H63 | C45 | H64 | 109.5° | 109.4° |
| H65 | C46 | H66 | 109.5° | 109.5° |
| H65 | C46 | H67 | 109.5° | 109.5° |
| H66 | C46 | H67 | 109.5° | 109.5° |
| H68 | C47 | H69 | 109.5° | 109.5° |
| H68 | C47 | H70 | 109.5° | 109.5° |
| H69 | C47 | H70 | 109.5° | 109.5° |
| C48 | N12 | H71 | 117.6° | 117.6° |
| N12 | C48 | C49 | 113.6° | 113.6° |
| N12 | C48 | C50 | 109.4° | 109.4° |
| N12 | C48 | H72 | 105.3° | 105.2° |
| C48 | N12 | C43 | 124.9° | 124.9° |
| H71 | N12 | C43 | 117.6° | 117.6° |
| C49 | C48 | C50 | 118.2° | 118.2° |
| C49 | C48 | H72 | 104.5° | 104.5° |
| C48 | C49 | O12 | 120.7° | 120.7° |
| C48 | C49 | N13 | 117.6° | 117.6° |
| C50 | C48 | H72 | 104.5° | 104.5° |
| C48 | C50 | C51 | 120.1° | 120.1° |
| C48 | C50 | H73 | 106.7° | 106.7° |
| C48 | C50 | H74 | 106.8° | 106.8° |
| O12 | C49 | N13 | 121.6° | 121.6° |
| C51 | C50 | H73 | 106.8° | 106.7° |
| C51 | C50 | H74 | 106.7° | 106.7° |
| C50 | C51 | C52 | 115.0° | 115.0° |
| C50 | C51 | H75 | 108.1° | 108.1° |
| C50 | C51 | H76 | 108.1° | 108.1° |
| H73 | C50 | H74 | 109.5° | 109.5° |
| C52 | C51 | H75 | 108.1° | 108.1° |
| C52 | C51 | H76 | 108.1° | 108.1° |
| C51 | C52 | O13 | 123.3° | 123.3° |
| C51 | C52 | O14 | 112.2° | 112.2° |
| H75 | C51 | H76 | 109.5° | 109.5° |
| O13 | C52 | O14 | 124.5° | 124.5° |
| C52 | O14 | H77 | 109.5° | 109.5° |
| C53 | N13 | H78 | 118.0° | 118.0° |
| N13 | C53 | C54 | 114.5° | 114.5° |
| N13 | C53 | C55 | 110.4° | 110.4° |
| N13 | C53 | H79 | 108.6° | 108.6° |
| C53 | N13 | C49 | 124.0° | 124.0° |
| H78 | N13 | C49 | 118.0° | 118.0° |
| C54 | C53 | C55 | 107.6° | 107.6° |
| C54 | C53 | H79 | 107.7° | 107.7° |
| C53 | C54 | O15 | 118.4° | 118.4° |
| C53 | C54 | N14 | 119.2° | 119.2° |
| C55 | C53 | H79 | 107.8° | 107.8° |
| C53 | C55 | S2 | 114.6° | 114.6° |
| C53 | C55 | H80 | 108.2° | 108.2° |
| C53 | C55 | H81 | 108.2° | 108.2° |
| O15 | C54 | N14 | 122.4° | 122.4° |
| S2 | C55 | H80 | 108.2° | 108.2° |
| S2 | C55 | H81 | 108.2° | 108.2° |
| C55 | S2 | C30 | 111.5° | 111.5° |
| H80 | C55 | H81 | 109.5° | 109.5° |
| C56 | N14 | H82 | 118.8° | 118.8° |
| N14 | C56 | C57 | 117.5° | 117.5° |
| N14 | C56 | H83 | 107.4° | 107.4° |
| N14 | C56 | H84 | 107.4° | 107.4° |
| C56 | N14 | C54 | 122.5° | 122.5° |
| H82 | N14 | C54 | 118.8° | 118.8° |
| C57 | C56 | H83 | 107.4° | 107.4° |
| C57 | C56 | H84 | 107.4° | 107.4° |
| C56 | C57 | O16 | 118.4° | 118.4° |
| C56 | C57 | N15 | 119.1° | 119.1° |
| H83 | C56 | H84 | 109.5° | 109.5° |
| O16 | C57 | N15 | 122.4° | 122.4° |
| N15 | C58 | C59 | 112.6° | 112.6° |
| N15 | C58 | C60 | 113.8° | 113.8° |
| C58 | N15 | H85 | 118.3° | 118.3° |
| N15 | C58 | H86 | 105.8° | 105.8° |
| C58 | N15 | C57 | 123.3° | 123.3° |
| C59 | C58 | C60 | 113.7° | 113.7° |
| C58 | C59 | O17 | 119.5° | 119.5° |
| C59 | C58 | H86 | 105.0° | 104.9° |
| C58 | C59 | N16 | 119.3° | 119.3° |
| C58 | C60 | C61 | 117.1° | 117.1° |
| C60 | C58 | H86 | 105.0° | 105.0° |
| C58 | C60 | H87 | 105.5° | 105.5° |
| C58 | C60 | S4 | 115.3° | 115.3° |
| O17 | C59 | N16 | 121.1° | 121.1° |
| C61 | C60 | H87 | 105.9° | 105.9° |
| C60 | C61 | H88 | 109.5° | 109.5° |
| C60 | C61 | H89 | 109.4° | 109.4° |
| C60 | C61 | H90 | 109.5° | 109.5° |
| C61 | C60 | S4 | 108.4° | 108.4° |
| H85 | N15 | C57 | 118.3° | 118.3° |
| H87 | C60 | S4 | 103.3° | 103.3° |
| H88 | C61 | H89 | 109.5° | 109.5° |
| H88 | C61 | H90 | 109.4° | 109.5° |
| H89 | C61 | H90 | 109.4° | 109.4° |
| C62 | N16 | H91 | 117.7° | 117.7° |
| N16 | C62 | C63 | 115.5° | 115.5° |
| N16 | C62 | C64 | 108.9° | 108.9° |
| N16 | C62 | H92 | 106.2° | 106.2° |
| C62 | N16 | C59 | 124.5° | 124.5° |
| H91 | N16 | C59 | 117.7° | 117.7° |
| C63 | C62 | C64 | 114.4° | 114.4° |
| C63 | C62 | H92 | 105.4° | 105.4° |
| C62 | C63 | O18 | 118.7° | 118.7° |
| C62 | C63 | N17 | 119.6° | 119.6° |
| C64 | C62 | H92 | 105.4° | 105.4° |
| C62 | C64 | C65 | 115.9° | 115.9° |
| C62 | C64 | C66 | 112.6° | 112.6° |
| C62 | C64 | H93 | 105.6° | 105.7° |
| O18 | C63 | N17 | 121.7° | 121.7° |
| C65 | C64 | C66 | 109.9° | 109.9° |
| C65 | C64 | H93 | 105.9° | 105.9° |
| C64 | C65 | H94 | 109.5° | 109.5° |
| C64 | C65 | H95 | 109.5° | 109.5° |
| C64 | C65 | H96 | 109.5° | 109.4° |
| C66 | C64 | H93 | 105.9° | 105.9° |
| C64 | C66 | H97 | 109.5° | 109.5° |
| C64 | C66 | H98 | 109.5° | 109.5° |
| C64 | C66 | H99 | 109.5° | 109.5° |
| H94 | C65 | H95 | 109.5° | 109.5° |
| H94 | C65 | H96 | 109.4° | 109.5° |
| H95 | C65 | H96 | 109.5° | 109.5° |
| H97 | C66 | H98 | 109.4° | 109.4° |
| H97 | C66 | H99 | 109.5° | 109.5° |
| H98 | C66 | H99 | 109.5° | 109.5° |
| C67 | N17 | H100 | 118.0° | 118.0° |
| N17 | C67 | C68 | 111.4° | 111.4° |
| N17 | C67 | C69 | 109.6° | 109.6° |
| N17 | C67 | H101 | 106.5° | 106.5° |
| C67 | N17 | C63 | 124.1° | 124.1° |
| H100 | N17 | C63 | 118.0° | 118.0° |
| C68 | C67 | C69 | 117.1° | 117.1° |
| C68 | C67 | H101 | 105.8° | 105.8° |
| C67 | C68 | O19 | 119.1° | 119.1° |
| C67 | C68 | N18 | 118.8° | 118.8° |
| C69 | C67 | H101 | 105.7° | 105.7° |
| C67 | C69 | C70 | 114.6° | 114.6° |
| C67 | C69 | C71 | 115.2° | 115.2° |
| C67 | C69 | H102 | 105.3° | 105.2° |
| O19 | C68 | N18 | 122.1° | 122.1° |
| C70 | C69 | C71 | 109.8° | 109.8° |
| C70 | C69 | H102 | 105.4° | 105.5° |
| C69 | C70 | C72 | 117.6° | 117.6° |
| C69 | C70 | H103 | 107.4° | 107.4° |
| C69 | C70 | H104 | 107.4° | 107.4° |
| C71 | C69 | H102 | 105.5° | 105.5° |
| C69 | C71 | H105 | 109.5° | 109.5° |
| C69 | C71 | H106 | 109.4° | 109.4° |
| C69 | C71 | H107 | 109.4° | 109.4° |
| C72 | C70 | H103 | 107.4° | 107.4° |
| C72 | C70 | H104 | 107.4° | 107.4° |
| C70 | C72 | H108 | 109.5° | 109.5° |
| C70 | C72 | H109 | 109.5° | 109.5° |
| C70 | C72 | H110 | 109.4° | 109.5° |
| H103 | C70 | H104 | 109.5° | 109.5° |
| H105 | C71 | H106 | 109.5° | 109.5° |
| H105 | C71 | H107 | 109.5° | 109.5° |
| H106 | C71 | H107 | 109.5° | 109.5° |
| H108 | C72 | H109 | 109.5° | 109.5° |
| H108 | C72 | H110 | 109.5° | 109.5° |
| H109 | C72 | H110 | 109.5° | 109.4° |
| C73 | N18 | H111 | 118.2° | 118.2° |
| N18 | C73 | C74 | 111.2° | 111.2° |
| N18 | C73 | C75 | 106.0° | 106.0° |
| N18 | C73 | H112 | 107.8° | 107.8° |
| C73 | N18 | C68 | 123.6° | 123.6° |
| H111 | N18 | C68 | 118.2° | 118.2° |
| C74 | C73 | C75 | 117.4° | 117.4° |
| C74 | C73 | H112 | 107.0° | 107.0° |
| C73 | C74 | O20 | 121.3° | 121.3° |
| C73 | C74 | N19 | 117.3° | 117.3° |
| C75 | C73 | H112 | 107.0° | 107.0° |
| C73 | C75 | S3 | 110.8° | 110.8° |
| C73 | C75 | H113 | 109.1° | 109.1° |
| C73 | C75 | H114 | 109.1° | 109.1° |
| O20 | C74 | N19 | 121.3° | 121.3° |
| S3 | C75 | H113 | 109.1° | 109.1° |
| S3 | C75 | H114 | 109.1° | 109.1° |
| C75 | S3 | C40 | 105.1° | 105.1° |
| H113 | C75 | H114 | 109.5° | 109.5° |
| C76 | N19 | H115 | 118.7° | 118.7° |
| N19 | C76 | C77 | 112.9° | 112.9° |
| N19 | C76 | C78 | 109.0° | 109.0° |
| N19 | C76 | H116 | 107.2° | 107.2° |
| C76 | N19 | C74 | 122.7° | 122.7° |
| H115 | N19 | C74 | 118.6° | 118.6° |
| C77 | C76 | C78 | 114.1° | 114.1° |
| C77 | C76 | H116 | 106.6° | 106.6° |
| C76 | C77 | O21 | 123.5° | 123.5° |
| C76 | C77 | N20 | 114.1° | 114.1° |
| C78 | C76 | H116 | 106.6° | 106.6° |
| C76 | C78 | H117 | 109.5° | 109.5° |
| C76 | C78 | H118 | 109.5° | 109.5° |
| C76 | C78 | H119 | 109.5° | 109.5° |
| O21 | C77 | N20 | 121.6° | 121.6° |
| H117 | C78 | H118 | 109.5° | 109.5° |
| H117 | C78 | H119 | 109.4° | 109.4° |
| H118 | C78 | H119 | 109.4° | 109.4° |
| C79 | N20 | H120 | 120.2° | 120.2° |
| N20 | C79 | C80 | 107.8° | 107.8° |
| N20 | C79 | C81 | 110.2° | 110.2° |
| N20 | C79 | H121 | 110.2° | 110.2° |
| C79 | N20 | C77 | 119.6° | 119.6° |
| H120 | N20 | C77 | 120.2° | 120.2° |
| C80 | C79 | C81 | 110.5° | 110.5° |
| C80 | C79 | H121 | 109.2° | 109.2° |
| C79 | C80 | O22 | 124.6° | 124.6° |
| C79 | C80 | O23 | 113.1° | 113.1° |
| C81 | C79 | H121 | 108.9° | 108.9° |
| C79 | C81 | S4 | 109.9° | 109.9° |
| C79 | C81 | H122 | 109.3° | 109.3° |
| C79 | C81 | H123 | 109.3° | 109.3° |
| O22 | C80 | O23 | 122.3° | 122.3° |
| C80 | O23 | H124 | 109.5° | 109.5° |
| S4 | C81 | H122 | 109.4° | 109.4° |
| S4 | C81 | H123 | 109.4° | 109.4° |
| C81 | S4 | C60 | 107.1° | 107.1° |
| H122 | C81 | H123 | 109.5° | 109.5° |
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 | 126.6° | 126.6° |
| N1 | C1 | C2 | H3 | 115.4° | 115.4° |
| N1 | C1 | C3 | H3 | 117.6° | 117.6° |
| N1 | C1 | C2 | H4 | 178.6° | 178.6° |
| N1 | C1 | C2 | H5 | 59.4° | 59.4° |
| N1 | C1 | C3 | O1 | 4.2° | 4.2° |
| N1 | C1 | C3 | N2 | 178.6° | 178.6° |
| N1 | C1 | C2 | S1 | 61.0° | 61.0° |
| H1 | N1 | C1 | C2 | 180.0° | 180.0° |
| H1 | N1 | C1 | C3 | 51.9° | 51.9° |
| H1 | N1 | C1 | H3 | 65.1° | 65.1° |
| H2 | N1 | C1 | C2 | 60.0° | 60.0° |
| H2 | N1 | C1 | C3 | 171.9° | 171.9° |
| H2 | N1 | C1 | H3 | 54.9° | 54.9° |
| C2 | C1 | C3 | H3 | 118.1° | 118.1° |
| C1 | C2 | H4 | H5 | 118.7° | 118.7° |
| C1 | C2 | H4 | S1 | 122.5° | 122.5° |
| C1 | C2 | H5 | S1 | 122.5° | 122.5° |
| C2 | C1 | C3 | O1 | 128.5° | 128.5° |
| C1 | C2 | S1 | C27 | 83.8° | 83.8° |
| C2 | C1 | C3 | N2 | 57.0° | 57.0° |
| C3 | C1 | C2 | H4 | 52.0° | 52.0° |
| C3 | C1 | C2 | H5 | 67.2° | 67.2° |
| C1 | C3 | O1 | N2 | 174.2° | 174.2° |
| C1 | C3 | N2 | C4 | 154.8° | 154.8° |
| C1 | C3 | N2 | H6 | 25.2° | 25.2° |
| C3 | C1 | C2 | S1 | 172.4° | 172.4° |
| H3 | C1 | C2 | H4 | 66.0° | 66.0° |
| H3 | C1 | C2 | H5 | 174.8° | 174.8° |
| H3 | C1 | C3 | O1 | 113.4° | 113.4° |
| H3 | C1 | C3 | N2 | 61.0° | 61.0° |
| H3 | C1 | C2 | S1 | 54.4° | 54.4° |
| H4 | C2 | H5 | S1 | 118.7° | 118.7° |
| H4 | C2 | S1 | C27 | 36.7° | 36.7° |
| H5 | C2 | S1 | C27 | 155.8° | 155.8° |
| O1 | C3 | N2 | C4 | 19.7° | 19.7° |
| O1 | C3 | N2 | H6 | 160.3° | 160.3° |
| C4 | N2 | H6 | C3 | 180.0° | 180.0° |
| N2 | C4 | C5 | C6 | 120.7° | 120.7° |
| N2 | C4 | C5 | H7 | 118.3° | 118.3° |
| N2 | C4 | C6 | H7 | 118.6° | 118.6° |
| N2 | C4 | C5 | O2 | 103.8° | 103.8° |
| N2 | C4 | C6 | O3 | 176.0° | 176.0° |
| N2 | C4 | C6 | H8 | 55.8° | 55.7° |
| N2 | C4 | C6 | H9 | 63.8° | 63.8° |
| N2 | C4 | C5 | N3 | 72.9° | 72.9° |
| H6 | N2 | C4 | C5 | 86.2° | 86.2° |
| H6 | N2 | C4 | C6 | 38.0° | 38.0° |
| H6 | N2 | C4 | H7 | 156.1° | 156.1° |
| C5 | C4 | C6 | H7 | 120.8° | 120.8° |
| C4 | C5 | O2 | N3 | 176.5° | 176.5° |
| C5 | C4 | C6 | O3 | 63.5° | 63.5° |
| C5 | C4 | C6 | H8 | 176.3° | 176.3° |
| C5 | C4 | C6 | H9 | 56.7° | 56.7° |
| C4 | C5 | N3 | C7 | 162.4° | 162.4° |
| C4 | C5 | N3 | H11 | 17.6° | 17.6° |
| C5 | C4 | N2 | C3 | 93.8° | 93.8° |
| C6 | C4 | C5 | O2 | 16.9° | 16.9° |
| C4 | C6 | O3 | H8 | 120.2° | 120.2° |
| C4 | C6 | O3 | H9 | 120.2° | 120.2° |
| C4 | C6 | H8 | H9 | 119.4° | 119.4° |
| C4 | C6 | O3 | H10 | 180.0° | 180.0° |
| C6 | C4 | N2 | C3 | 142.1° | 142.1° |
| C6 | C4 | C5 | N3 | 166.4° | 166.4° |
| H7 | C4 | C5 | O2 | 137.9° | 137.9° |
| H7 | C4 | C6 | O3 | 57.3° | 57.3° |
| H7 | C4 | C6 | H8 | 62.8° | 62.9° |
| H7 | C4 | C6 | H9 | 177.5° | 177.5° |
| H7 | C4 | N2 | C3 | 23.9° | 23.9° |
| H7 | C4 | C5 | N3 | 45.4° | 45.4° |
| O2 | C5 | N3 | C7 | 14.4° | 14.4° |
| O2 | C5 | N3 | H11 | 165.7° | 165.7° |
| O3 | C6 | H8 | H9 | 119.4° | 119.4° |
| H8 | C6 | O3 | H10 | 59.8° | 59.8° |
| H9 | C6 | O3 | H10 | 59.8° | 59.8° |
| C7 | N3 | H11 | C5 | 180.0° | 180.0° |
| N3 | C7 | C8 | H12 | 119.8° | 119.8° |
| N3 | C7 | C8 | H13 | 119.9° | 119.9° |
| N3 | C7 | H12 | H13 | 120.5° | 120.5° |
| N3 | C7 | C8 | O4 | 60.3° | 60.3° |
| N3 | C7 | C8 | N4 | 115.8° | 115.8° |
| H11 | N3 | C7 | C8 | 86.8° | 86.8° |
| H11 | N3 | C7 | H12 | 33.0° | 33.0° |
| H11 | N3 | C7 | H13 | 153.3° | 153.3° |
| C8 | C7 | H12 | H13 | 120.5° | 120.5° |
| C7 | C8 | O4 | N4 | 176.0° | 176.0° |
| C7 | C8 | N4 | C9 | 153.0° | 153.0° |
| C7 | C8 | N4 | H14 | 27.0° | 27.0° |
| C8 | C7 | N3 | C5 | 93.2° | 93.2° |
| H12 | C7 | C8 | O4 | 59.6° | 59.6° |
| H12 | C7 | N3 | C5 | 147.0° | 147.0° |
| H12 | C7 | C8 | N4 | 124.3° | 124.3° |
| H13 | C7 | C8 | O4 | 179.9° | 179.9° |
| H13 | C7 | N3 | C5 | 26.7° | 26.7° |
| H13 | C7 | C8 | N4 | 4.0° | 4.0° |
| O4 | C8 | N4 | C9 | 22.9° | 22.9° |
| O4 | C8 | N4 | H14 | 157.0° | 157.0° |
| C9 | N4 | H14 | C8 | 180.0° | 180.0° |
| N4 | C9 | C10 | C11 | 127.4° | 127.4° |
| N4 | C9 | C10 | H15 | 115.9° | 115.9° |
| N4 | C9 | C11 | H15 | 120.3° | 120.3° |
| N4 | C9 | C10 | O5 | 107.3° | 107.3° |
| N4 | C9 | C11 | C12 | 61.3° | 61.3° |
| N4 | C9 | C11 | H16 | 59.9° | 59.9° |
| N4 | C9 | C11 | H17 | 177.6° | 177.5° |
| N4 | C9 | C10 | N6 | 76.7° | 76.7° |
| H14 | N4 | C9 | C10 | 36.8° | 36.8° |
| H14 | N4 | C9 | C11 | 87.9° | 87.9° |
| H14 | N4 | C9 | H15 | 152.1° | 152.1° |
| C10 | C9 | C11 | H15 | 116.7° | 116.7° |
| C9 | C10 | O5 | N6 | 175.6° | 175.6° |
| C10 | C9 | C11 | C12 | 175.7° | 175.7° |
| C10 | C9 | C11 | H16 | 63.1° | 63.1° |
| C10 | C9 | C11 | H17 | 54.5° | 54.5° |
| C9 | C10 | N6 | C20 | 159.0° | 159.0° |
| C9 | C10 | N6 | H24 | 21.0° | 21.0° |
| C10 | C9 | N4 | C8 | 143.2° | 143.2° |
| C11 | C9 | C10 | O5 | 20.1° | 20.1° |
| C9 | C11 | C12 | H16 | 121.2° | 121.2° |
| C9 | C11 | C12 | H17 | 121.2° | 121.2° |
| C9 | C11 | H16 | H17 | 116.2° | 116.2° |
| C9 | C11 | C12 | C13 | 102.1° | 102.1° |
| C9 | C11 | C12 | C14 | 75.0° | 75.0° |
| C11 | C9 | N4 | C8 | 92.0° | 92.0° |
| C11 | C9 | C10 | N6 | 155.9° | 155.9° |
| H15 | C9 | C10 | O5 | 136.8° | 136.8° |
| H15 | C9 | C11 | C12 | 59.1° | 59.1° |
| H15 | C9 | C11 | H16 | 179.8° | 179.8° |
| H15 | C9 | C11 | H17 | 62.1° | 62.2° |
| H15 | C9 | N4 | C8 | 27.9° | 27.9° |
| H15 | C9 | C10 | N6 | 39.2° | 39.2° |
| O5 | C10 | N6 | C20 | 17.0° | 17.0° |
| O5 | C10 | N6 | H24 | 163.0° | 163.0° |
| C12 | C11 | H16 | H17 | 116.3° | 116.3° |
| C11 | C12 | C13 | C14 | 177.7° | 177.7° |
| C11 | C12 | C13 | N5 | 177.4° | 177.4° |
| C11 | C12 | C13 | H18 | 2.6° | 2.6° |
| C11 | C12 | C14 | C15 | 177.1° | 177.1° |
| C11 | C12 | C14 | C16 | 1.1° | 1.1° |
| H16 | C11 | C12 | C13 | 19.0° | 19.0° |
| H16 | C11 | C12 | C14 | 163.8° | 163.8° |
| H17 | C11 | C12 | C13 | 136.7° | 136.7° |
| H17 | C11 | C12 | C14 | 46.2° | 46.2° |
| C12 | C13 | N5 | H18 | 180.0° | 180.0° |
| C13 | C12 | C14 | C15 | 0.5° | 0.5° |
| C13 | C12 | C14 | C16 | 178.7° | 178.7° |
| C12 | C13 | N5 | C15 | 0.0° | 0.0° |
| C12 | C13 | N5 | H19 | 180.0° | 180.0° |
| C14 | C12 | C13 | N5 | 0.3° | 0.3° |
| C14 | C12 | C13 | H18 | 179.7° | 179.7° |
| C12 | C14 | C15 | C16 | 178.4° | 178.4° |
| C12 | C14 | C15 | N5 | 0.5° | 0.5° |
| C12 | C14 | C15 | C17 | 178.4° | 178.4° |
| C12 | C14 | C16 | C18 | 178.2° | 178.2° |
| C12 | C14 | C16 | H20 | 1.8° | 1.8° |
| C13 | N5 | C15 | C14 | 0.3° | 0.3° |
| C13 | N5 | C15 | H19 | 180.0° | 180.0° |
| C13 | N5 | C15 | C17 | 178.5° | 178.5° |
| H18 | C13 | N5 | C15 | 180.0° | 180.0° |
| H18 | C13 | N5 | H19 | 0.0° | 0.0° |
| C14 | C15 | N5 | C17 | 178.8° | 178.8° |
| C14 | C15 | N5 | H19 | 179.7° | 179.7° |
| C15 | C14 | C16 | C18 | 0.2° | 0.2° |
| C15 | C14 | C16 | H20 | 179.8° | 179.8° |
| C14 | C15 | C17 | C19 | 0.1° | 0.1° |
| C14 | C15 | C17 | H21 | 179.8° | 179.8° |
| C16 | C14 | C15 | N5 | 178.9° | 178.9° |
| C16 | C14 | C15 | C17 | 0.0° | 0.0° |
| C14 | C16 | C18 | H20 | 180.0° | 180.0° |
| C14 | C16 | C18 | C19 | 0.3° | 0.3° |
| C14 | C16 | C18 | H22 | 179.7° | 179.7° |
| N5 | C15 | C17 | C19 | 178.8° | 178.8° |
| N5 | C15 | C17 | H21 | 1.2° | 1.2° |
| H19 | N5 | C15 | C17 | 1.5° | 1.5° |
| C15 | C17 | C19 | H21 | 180.0° | 180.0° |
| C15 | C17 | C19 | C18 | 0.0° | 0.0° |
| C15 | C17 | C19 | H23 | 180.0° | 180.0° |
| C16 | C18 | C19 | C17 | 0.2° | 0.2° |
| C16 | C18 | C19 | H22 | 180.0° | 180.0° |
| C16 | C18 | C19 | H23 | 179.7° | 179.7° |
| H20 | C16 | C18 | C19 | 179.7° | 179.7° |
| H20 | C16 | C18 | H22 | 0.3° | 0.3° |
| C17 | C19 | C18 | H23 | 180.0° | 180.0° |
| C17 | C19 | C18 | H22 | 179.8° | 179.8° |
| H21 | C17 | C19 | C18 | 180.0° | 180.0° |
| H21 | C17 | C19 | H23 | 0.0° | 0.0° |
| H22 | C18 | C19 | H23 | 0.2° | 0.2° |
| C20 | N6 | H24 | C10 | 180.0° | 180.0° |
| N6 | C20 | C21 | C22 | 129.8° | 129.8° |
| N6 | C20 | C21 | H25 | 112.4° | 112.4° |
| N6 | C20 | C22 | H25 | 116.2° | 116.2° |
| N6 | C20 | C21 | O6 | 98.1° | 98.1° |
| N6 | C20 | C22 | C23 | 179.2° | 179.2° |
| N6 | C20 | C22 | C24 | 56.7° | 56.7° |
| N6 | C20 | C22 | H26 | 62.3° | 62.3° |
| N6 | C20 | C21 | N7 | 75.9° | 75.9° |
| H24 | N6 | C20 | C21 | 102.3° | 102.3° |
| H24 | N6 | C20 | C22 | 30.0° | 30.0° |
| H24 | N6 | C20 | H25 | 145.7° | 145.7° |
| C21 | C20 | C22 | H25 | 117.9° | 117.9° |
| C20 | C21 | O6 | N7 | 173.6° | 173.6° |
| C21 | C20 | C22 | C23 | 54.9° | 54.9° |
| C21 | C20 | C22 | C24 | 177.3° | 177.3° |
| C21 | C20 | C22 | H26 | 63.6° | 63.6° |
| C20 | C21 | N7 | C25 | 139.3° | 139.3° |
| C20 | C21 | N7 | H33 | 40.7° | 40.7° |
| C21 | C20 | N6 | C10 | 77.7° | 77.7° |
| C22 | C20 | C21 | O6 | 132.1° | 132.1° |
| C20 | C22 | C23 | C24 | 125.2° | 125.2° |
| C20 | C22 | C23 | H26 | 118.3° | 118.3° |
| C20 | C22 | C24 | H26 | 118.8° | 118.8° |
| C20 | C22 | C23 | H27 | 180.0° | 180.0° |
| C20 | C22 | C23 | H28 | 60.0° | 60.0° |
| C20 | C22 | C23 | H29 | 60.0° | 60.0° |
| C20 | C22 | C24 | H30 | 180.0° | 180.0° |
| C20 | C22 | C24 | H31 | 60.0° | 60.0° |
| C20 | C22 | C24 | H32 | 60.0° | 60.0° |
| C22 | C20 | N6 | C10 | 150.0° | 150.0° |
| C22 | C20 | C21 | N7 | 53.9° | 53.9° |
| H25 | C20 | C21 | O6 | 14.3° | 14.3° |
| H25 | C20 | C22 | C23 | 63.0° | 63.0° |
| H25 | C20 | C22 | C24 | 59.4° | 59.4° |
| H25 | C20 | C22 | H26 | 178.4° | 178.4° |
| H25 | C20 | N6 | C10 | 34.3° | 34.3° |
| H25 | C20 | C21 | N7 | 171.7° | 171.7° |
| O6 | C21 | N7 | C25 | 34.4° | 34.4° |
| O6 | C21 | N7 | H33 | 145.6° | 145.6° |
| C23 | C22 | C24 | H26 | 116.4° | 116.4° |
| C22 | C23 | H27 | H28 | 120.0° | 120.0° |
| C22 | C23 | H27 | H29 | 120.0° | 120.0° |
| C22 | C23 | H28 | H29 | 120.0° | 120.0° |
| C23 | C22 | C24 | H30 | 55.3° | 55.3° |
| C23 | C22 | C24 | H31 | 64.7° | 64.7° |
| C23 | C22 | C24 | H32 | 175.3° | 175.3° |
| C24 | C22 | C23 | H27 | 54.8° | 54.8° |
| C24 | C22 | C23 | H28 | 174.8° | 174.8° |
| C24 | C22 | C23 | H29 | 65.2° | 65.2° |
| C22 | C24 | H30 | H31 | 120.0° | 120.0° |
| C22 | C24 | H30 | H32 | 120.0° | 120.0° |
| C22 | C24 | H31 | H32 | 120.0° | 120.0° |
| H26 | C22 | C23 | H27 | 61.7° | 61.7° |
| H26 | C22 | C23 | H28 | 58.3° | 58.3° |
| H26 | C22 | C23 | H29 | 178.3° | 178.3° |
| H26 | C22 | C24 | H30 | 61.2° | 61.2° |
| H26 | C22 | C24 | H31 | 178.9° | 178.9° |
| H26 | C22 | C24 | H32 | 58.8° | 58.8° |
| H27 | C23 | H28 | H29 | 120.0° | 120.0° |
| H30 | C24 | H31 | H32 | 120.0° | 120.0° |
| C25 | N7 | H33 | C21 | 180.0° | 180.0° |
| N7 | C25 | C26 | C27 | 133.3° | 133.3° |
| N7 | C25 | C26 | H34 | 115.5° | 115.5° |
| N7 | C25 | C27 | H34 | 112.8° | 112.7° |
| N7 | C25 | C26 | O7 | 68.0° | 68.0° |
| N7 | C25 | C27 | S1 | 126.4° | 126.4° |
| N7 | C25 | C27 | H35 | 5.7° | 5.7° |
| N7 | C25 | C27 | H36 | 113.0° | 113.0° |
| N7 | C25 | C26 | N8 | 119.2° | 119.2° |
| H33 | N7 | C25 | C26 | 127.5° | 127.5° |
| H33 | N7 | C25 | C27 | 100.0° | 100.0° |
| H33 | N7 | C25 | H34 | 12.4° | 12.4° |
| C26 | C25 | C27 | H34 | 111.1° | 111.1° |
| C25 | C26 | O7 | N8 | 171.9° | 171.9° |
| C26 | C25 | C27 | S1 | 97.5° | 97.5° |
| C26 | C25 | C27 | H35 | 141.9° | 141.9° |
| C26 | C25 | C27 | H36 | 23.1° | 23.1° |
| C25 | C26 | N8 | C28 | 146.6° | 146.6° |
| C25 | C26 | N8 | H37 | 33.5° | 33.5° |
| C26 | C25 | N7 | C21 | 52.5° | 52.5° |
| C27 | C25 | C26 | O7 | 65.3° | 65.3° |
| C25 | C27 | S1 | H35 | 120.6° | 120.6° |
| C25 | C27 | S1 | H36 | 120.6° | 120.6° |
| C25 | C27 | H35 | H36 | 118.1° | 118.1° |
| C25 | C27 | S1 | C2 | 91.6° | 91.6° |
| C27 | C25 | C26 | N8 | 107.5° | 107.5° |
| C27 | C25 | N7 | C21 | 80.0° | 80.0° |
| H34 | C25 | C26 | O7 | 176.4° | 176.5° |
| H34 | C25 | C27 | S1 | 13.6° | 13.6° |
| H34 | C25 | C27 | H35 | 107.0° | 107.0° |
| H34 | C25 | C27 | H36 | 134.2° | 134.2° |
| H34 | C25 | C26 | N8 | 3.7° | 3.7° |
| H34 | C25 | N7 | C21 | 167.6° | 167.6° |
| O7 | C26 | N8 | C28 | 26.2° | 26.2° |
| O7 | C26 | N8 | H37 | 153.7° | 153.7° |
| S1 | C27 | H35 | H36 | 118.1° | 118.1° |
| H35 | C27 | S1 | C2 | 29.1° | 29.1° |
| H36 | C27 | S1 | C2 | 147.8° | 147.8° |
| N8 | C28 | C29 | C30 | 118.0° | 118.0° |
| N8 | C28 | C29 | H38 | 123.2° | 123.2° |
| N8 | C28 | C30 | H38 | 114.4° | 114.4° |
| N8 | C28 | C29 | O8 | 156.8° | 156.8° |
| N8 | C28 | C30 | C31 | 72.7° | 72.7° |
| C28 | N8 | H37 | C26 | 180.0° | 180.0° |
| N8 | C28 | C30 | H39 | 167.8° | 167.8° |
| N8 | C28 | C29 | N9 | 25.5° | 25.5° |
| N8 | C28 | C30 | S2 | 54.7° | 54.7° |
| C29 | C28 | C30 | H38 | 118.8° | 118.8° |
| C28 | C29 | O8 | N9 | 177.6° | 177.6° |
| C29 | C28 | C30 | C31 | 160.5° | 160.5° |
| C29 | C28 | N8 | H37 | 82.2° | 82.2° |
| C29 | C28 | C30 | H39 | 41.0° | 41.0° |
| C28 | C29 | N9 | C32 | 173.8° | 173.8° |
| C28 | C29 | N9 | H43 | 6.1° | 6.1° |
| C29 | C28 | N8 | C26 | 97.8° | 97.8° |
| C29 | C28 | C30 | S2 | 72.0° | 72.0° |
| C30 | C28 | C29 | O8 | 38.8° | 38.8° |
| C28 | C30 | C31 | H39 | 119.4° | 119.4° |
| C28 | C30 | C31 | S2 | 122.7° | 122.7° |
| C30 | C28 | N8 | H37 | 41.4° | 41.4° |
| C28 | C30 | H39 | S2 | 114.0° | 114.0° |
| C28 | C30 | C31 | H40 | 180.0° | 180.0° |
| C28 | C30 | C31 | H41 | 60.0° | 60.0° |
| C28 | C30 | C31 | H42 | 60.0° | 60.0° |
| C28 | C30 | S2 | C55 | 136.4° | 136.4° |
| C30 | C28 | N8 | C26 | 138.6° | 138.6° |
| C30 | C28 | C29 | N9 | 143.5° | 143.5° |
| O8 | C29 | C28 | H38 | 80.0° | 80.0° |
| O8 | C29 | N9 | C32 | 8.6° | 8.6° |
| O8 | C29 | N9 | H43 | 171.4° | 171.4° |
| C31 | C30 | C28 | H38 | 41.7° | 41.7° |
| C31 | C30 | H39 | S2 | 124.1° | 124.1° |
| C30 | C31 | H40 | H41 | 120.0° | 120.0° |
| C30 | C31 | H40 | H42 | 120.0° | 120.0° |
| C30 | C31 | H41 | H42 | 120.0° | 120.0° |
| C31 | C30 | S2 | C55 | 10.9° | 10.9° |
| H37 | N8 | C28 | H38 | 155.1° | 155.1° |
| H38 | C28 | C30 | H39 | 77.8° | 77.8° |
| H38 | C28 | N8 | C26 | 24.9° | 24.9° |
| H38 | C28 | C29 | N9 | 97.7° | 97.7° |
| H38 | C28 | C30 | S2 | 169.1° | 169.1° |
| H39 | C30 | C31 | H40 | 60.6° | 60.6° |
| H39 | C30 | C31 | H41 | 179.4° | 179.4° |
| H39 | C30 | C31 | H42 | 59.4° | 59.4° |
| H39 | C30 | S2 | C55 | 108.6° | 108.6° |
| H40 | C31 | H41 | H42 | 120.0° | 120.0° |
| H40 | C31 | C30 | S2 | 57.3° | 57.3° |
| H41 | C31 | C30 | S2 | 62.8° | 62.8° |
| H42 | C31 | C30 | S2 | 177.3° | 177.3° |
| C32 | N9 | H43 | C29 | 180.0° | 180.0° |
| N9 | C32 | C33 | C34 | 125.6° | 125.6° |
| N9 | C32 | C33 | H44 | 116.6° | 116.6° |
| N9 | C32 | C34 | H44 | 117.4° | 117.4° |
| N9 | C32 | C33 | O9 | 116.8° | 116.8° |
| N9 | C32 | C34 | C35 | 61.1° | 61.1° |
| N9 | C32 | C34 | H45 | 60.1° | 60.0° |
| N9 | C32 | C34 | H46 | 177.7° | 177.7° |
| N9 | C32 | C33 | N10 | 64.2° | 64.2° |
| H43 | N9 | C32 | C33 | 69.7° | 69.7° |
| H43 | N9 | C32 | C34 | 57.2° | 57.2° |
| H43 | N9 | C32 | H44 | 174.1° | 174.1° |
| C33 | C32 | C34 | H44 | 117.8° | 117.8° |
| C32 | C33 | O9 | N10 | 178.9° | 178.9° |
| C33 | C32 | C34 | C35 | 174.1° | 174.1° |
| C33 | C32 | C34 | H45 | 64.8° | 64.8° |
| C33 | C32 | C34 | H46 | 52.9° | 52.9° |
| C32 | C33 | N10 | C38 | 172.3° | 172.3° |
| C32 | C33 | N10 | H54 | 7.7° | 7.7° |
| C33 | C32 | N9 | C29 | 110.3° | 110.3° |
| C34 | C32 | C33 | O9 | 8.8° | 8.8° |
| C32 | C34 | C35 | H45 | 121.2° | 121.1° |
| C32 | C34 | C35 | H46 | 121.2° | 121.2° |
| C32 | C34 | H45 | H46 | 116.3° | 116.3° |
| C32 | C34 | C35 | C36 | 172.2° | 172.2° |
| C32 | C34 | C35 | C37 | 64.0° | 64.0° |
| C32 | C34 | C35 | H47 | 54.8° | 54.8° |
| C34 | C32 | N9 | C29 | 122.8° | 122.8° |
| C34 | C32 | C33 | N10 | 170.2° | 170.2° |
| H44 | C32 | C33 | O9 | 126.5° | 126.5° |
| H44 | C32 | C34 | C35 | 56.3° | 56.3° |
| H44 | C32 | C34 | H45 | 177.5° | 177.4° |
| H44 | C32 | C34 | H46 | 64.9° | 64.9° |
| H44 | C32 | N9 | C29 | 5.9° | 5.9° |
| H44 | C32 | C33 | N10 | 52.4° | 52.4° |
| O9 | C33 | N10 | C38 | 6.6° | 6.6° |
| O9 | C33 | N10 | H54 | 173.4° | 173.4° |
| C35 | C34 | H45 | H46 | 116.3° | 116.3° |
| C34 | C35 | C36 | C37 | 125.7° | 125.7° |
| C34 | C35 | C36 | H47 | 117.3° | 117.3° |
| C34 | C35 | C37 | H47 | 118.7° | 118.7° |
| C34 | C35 | C36 | H48 | 180.0° | 180.0° |
| C34 | C35 | C36 | H49 | 60.0° | 60.0° |
| C34 | C35 | C36 | H50 | 60.0° | 60.0° |
| C34 | C35 | C37 | H51 | 180.0° | 180.0° |
| C34 | C35 | C37 | H52 | 60.0° | 60.0° |
| C34 | C35 | C37 | H53 | 60.0° | 60.0° |
| H45 | C34 | C35 | C36 | 51.1° | 51.1° |
| H45 | C34 | C35 | C37 | 174.9° | 174.9° |
| H45 | C34 | C35 | H47 | 66.3° | 66.3° |
| H46 | C34 | C35 | C36 | 66.6° | 66.6° |
| H46 | C34 | C35 | C37 | 57.2° | 57.2° |
| H46 | C34 | C35 | H47 | 176.0° | 176.0° |
| C36 | C35 | C37 | H47 | 117.1° | 117.1° |
| C35 | C36 | H48 | H49 | 120.0° | 120.0° |
| C35 | C36 | H48 | H50 | 120.0° | 120.0° |
| C35 | C36 | H49 | H50 | 120.0° | 120.0° |
| C36 | C35 | C37 | H51 | 55.8° | 55.8° |
| C36 | C35 | C37 | H52 | 64.2° | 64.2° |
| C36 | C35 | C37 | H53 | 175.8° | 175.8° |
| C37 | C35 | C36 | H48 | 54.3° | 54.3° |
| C37 | C35 | C36 | H49 | 174.3° | 174.3° |
| C37 | C35 | C36 | H50 | 65.7° | 65.7° |
| C35 | C37 | H51 | H52 | 120.0° | 120.0° |
| C35 | C37 | H51 | H53 | 120.0° | 120.0° |
| C35 | C37 | H52 | H53 | 120.0° | 120.0° |
| H47 | C35 | C36 | H48 | 62.7° | 62.7° |
| H47 | C35 | C36 | H49 | 57.3° | 57.3° |
| H47 | C35 | C36 | H50 | 177.3° | 177.3° |
| H47 | C35 | C37 | H51 | 61.3° | 61.3° |
| H47 | C35 | C37 | H52 | 178.7° | 178.7° |
| H47 | C35 | C37 | H53 | 58.7° | 58.7° |
| H48 | C36 | H49 | H50 | 120.0° | 120.0° |
| H51 | C37 | H52 | H53 | 120.0° | 120.0° |
| N10 | C38 | C39 | C40 | 125.1° | 125.1° |
| N10 | C38 | C39 | H55 | 119.4° | 119.4° |
| N10 | C38 | C40 | H55 | 114.3° | 114.3° |
| N10 | C38 | C39 | O10 | 171.3° | 171.3° |
| N10 | C38 | C40 | C41 | 72.0° | 72.0° |
| C38 | N10 | H54 | C33 | 180.0° | 180.0° |
| N10 | C38 | C40 | H56 | 165.8° | 165.8° |
| N10 | C38 | C40 | S3 | 47.9° | 47.9° |
| N10 | C38 | C39 | N11 | 6.9° | 6.9° |
| C39 | C38 | C40 | H55 | 115.5° | 115.5° |
| C38 | C39 | O10 | N11 | 178.2° | 178.2° |
| C39 | C38 | C40 | C41 | 157.8° | 157.8° |
| C39 | C38 | N10 | H54 | 102.1° | 102.1° |
| C39 | C38 | C40 | H56 | 35.6° | 35.6° |
| C38 | C39 | N11 | C42 | 177.2° | 177.2° |
| C38 | C39 | N11 | H60 | 2.8° | 2.8° |
| C39 | C38 | N10 | C33 | 77.9° | 77.9° |
| C39 | C38 | C40 | S3 | 82.3° | 82.3° |
| C40 | C38 | C39 | O10 | 63.6° | 63.6° |
| C38 | C40 | C41 | H56 | 122.0° | 122.0° |
| C38 | C40 | C41 | S3 | 123.5° | 123.5° |
| C40 | C38 | N10 | H54 | 25.2° | 25.2° |
| C38 | C40 | H56 | S3 | 121.6° | 121.6° |
| C38 | C40 | C41 | H57 | 180.0° | 180.0° |
| C38 | C40 | C41 | H58 | 60.0° | 60.0° |
| C38 | C40 | C41 | H59 | 60.0° | 60.0° |
| C38 | C40 | S3 | C75 | 85.1° | 85.1° |
| C40 | C38 | N10 | C33 | 154.8° | 154.8° |
| C40 | C38 | C39 | N11 | 118.1° | 118.1° |
| O10 | C39 | C38 | H55 | 51.9° | 51.9° |
| O10 | C39 | N11 | C42 | 1.0° | 1.0° |
| O10 | C39 | N11 | H60 | 179.0° | 179.0° |
| C41 | C40 | C38 | H55 | 42.3° | 42.3° |
| C41 | C40 | H56 | S3 | 114.2° | 114.2° |
| C40 | C41 | H57 | H58 | 120.0° | 120.0° |
| C40 | C41 | H57 | H59 | 120.0° | 120.0° |
| C40 | C41 | H58 | H59 | 120.0° | 120.0° |
| C41 | C40 | S3 | C75 | 151.0° | 151.0° |
| H54 | N10 | C38 | H55 | 138.9° | 138.9° |
| H55 | C38 | C40 | H56 | 79.9° | 79.9° |
| H55 | C38 | N10 | C33 | 41.1° | 41.1° |
| H55 | C38 | C40 | S3 | 162.2° | 162.2° |
| H55 | C38 | C39 | N11 | 126.4° | 126.4° |
| H56 | C40 | C41 | H57 | 58.0° | 58.0° |
| H56 | C40 | C41 | H58 | 178.0° | 178.0° |
| H56 | C40 | C41 | H59 | 62.0° | 62.0° |
| H56 | C40 | S3 | C75 | 34.4° | 34.4° |
| H57 | C41 | H58 | H59 | 120.0° | 120.0° |
| H57 | C41 | C40 | S3 | 56.4° | 56.4° |
| H58 | C41 | C40 | S3 | 63.5° | 63.5° |
| H59 | C41 | C40 | S3 | 176.5° | 176.5° |
| C42 | N11 | H60 | C39 | 180.0° | 180.0° |
| N11 | C42 | C43 | C44 | 123.7° | 123.7° |
| N11 | C42 | C43 | H61 | 117.0° | 117.0° |
| N11 | C42 | C44 | H61 | 122.3° | 122.3° |
| N11 | C42 | C43 | O11 | 72.1° | 72.1° |
| N11 | C42 | C44 | C45 | 52.9° | 52.9° |
| N11 | C42 | C44 | C46 | 178.8° | 178.8° |
| N11 | C42 | C44 | H62 | 64.1° | 64.1° |
| N11 | C42 | C43 | N12 | 110.6° | 110.6° |
| H60 | N11 | C42 | C43 | 38.1° | 38.1° |
| H60 | N11 | C42 | C44 | 83.8° | 83.8° |
| H60 | N11 | C42 | H61 | 154.5° | 154.5° |
| C43 | C42 | C44 | H61 | 119.4° | 119.4° |
| C42 | C43 | O11 | N12 | 177.0° | 177.0° |
| C43 | C42 | C44 | C45 | 171.2° | 171.2° |
| C43 | C42 | C44 | C46 | 60.5° | 60.5° |
| C43 | C42 | C44 | H62 | 54.3° | 54.3° |
| C42 | C43 | N12 | C48 | 170.5° | 170.5° |
| C42 | C43 | N12 | H71 | 9.5° | 9.5° |
| C43 | C42 | N11 | C39 | 141.9° | 141.9° |
| C44 | C42 | C43 | O11 | 51.6° | 51.6° |
| C42 | C44 | C45 | C46 | 129.6° | 129.6° |
| C42 | C44 | C45 | H62 | 116.9° | 116.9° |
| C42 | C44 | C46 | H62 | 114.6° | 114.6° |
| C42 | C44 | C45 | C47 | 69.7° | 69.7° |
| C42 | C44 | C45 | H63 | 51.5° | 51.5° |
| C42 | C44 | C45 | H64 | 169.1° | 169.1° |
| C42 | C44 | C46 | H65 | 180.0° | 180.0° |
| C42 | C44 | C46 | H66 | 60.0° | 60.0° |
| C42 | C44 | C46 | H67 | 60.0° | 60.0° |
| C44 | C42 | N11 | C39 | 96.1° | 96.1° |
| C44 | C42 | C43 | N12 | 125.6° | 125.6° |
| H61 | C42 | C43 | O11 | 170.9° | 170.9° |
| H61 | C42 | C44 | C45 | 69.4° | 69.4° |
| H61 | C42 | C44 | C46 | 59.0° | 59.0° |
| H61 | C42 | C44 | H62 | 173.7° | 173.7° |
| H61 | C42 | N11 | C39 | 25.5° | 25.5° |
| H61 | C42 | C43 | N12 | 6.3° | 6.3° |
| O11 | C43 | N12 | C48 | 6.7° | 6.7° |
| O11 | C43 | N12 | H71 | 173.3° | 173.3° |
| C45 | C44 | C46 | H62 | 113.5° | 113.5° |
| C44 | C45 | C47 | H63 | 121.2° | 121.2° |
| C44 | C45 | C47 | H64 | 121.2° | 121.2° |
| C44 | C45 | H63 | H64 | 116.2° | 116.2° |
| C45 | C44 | C46 | H65 | 48.1° | 48.1° |
| C45 | C44 | C46 | H66 | 168.1° | 168.1° |
| C45 | C44 | C46 | H67 | 71.9° | 71.9° |
| C44 | C45 | C47 | H68 | 180.0° | 180.0° |
| C44 | C45 | C47 | H69 | 60.0° | 60.0° |
| C44 | C45 | C47 | H70 | 60.0° | 60.0° |
| C46 | C44 | C45 | C47 | 59.9° | 59.9° |
| C46 | C44 | C45 | H63 | 178.9° | 178.9° |
| C46 | C44 | C45 | H64 | 61.3° | 61.3° |
| C44 | C46 | H65 | H66 | 120.0° | 120.0° |
| C44 | C46 | H65 | H67 | 120.0° | 120.0° |
| C44 | C46 | H66 | H67 | 120.0° | 120.0° |
| H62 | C44 | C45 | C47 | 173.4° | 173.4° |
| H62 | C44 | C45 | H63 | 65.4° | 65.4° |
| H62 | C44 | C45 | H64 | 52.2° | 52.2° |
| H62 | C44 | C46 | H65 | 65.4° | 65.4° |
| H62 | C44 | C46 | H66 | 54.6° | 54.6° |
| H62 | C44 | C46 | H67 | 174.6° | 174.6° |
| C47 | C45 | H63 | H64 | 116.2° | 116.2° |
| C45 | C47 | H68 | H69 | 120.0° | 120.0° |
| C45 | C47 | H68 | H70 | 120.0° | 120.0° |
| C45 | C47 | H69 | H70 | 120.0° | 120.0° |
| H63 | C45 | C47 | H68 | 58.8° | 58.8° |
| H63 | C45 | C47 | H69 | 178.8° | 178.8° |
| H63 | C45 | C47 | H70 | 61.2° | 61.2° |
| H64 | C45 | C47 | H68 | 58.8° | 58.8° |
| H64 | C45 | C47 | H69 | 61.2° | 61.2° |
| H64 | C45 | C47 | H70 | 178.8° | 178.8° |
| H65 | C46 | H66 | H67 | 120.0° | 120.0° |
| H68 | C47 | H69 | H70 | 120.0° | 120.0° |
| C48 | N12 | H71 | C43 | 180.0° | 180.0° |
| N12 | C48 | C49 | C50 | 130.2° | 130.2° |
| N12 | C48 | C49 | H72 | 114.2° | 114.2° |
| N12 | C48 | C50 | H72 | 112.3° | 112.2° |
| N12 | C48 | C49 | O12 | 129.6° | 129.6° |
| N12 | C48 | C50 | C51 | 171.8° | 171.8° |
| N12 | C48 | C50 | H73 | 66.7° | 66.8° |
| N12 | C48 | C50 | H74 | 50.3° | 50.3° |
| N12 | C48 | C49 | N13 | 54.0° | 54.0° |
| H71 | N12 | C48 | C49 | 121.2° | 121.2° |
| H71 | N12 | C48 | C50 | 104.3° | 104.3° |
| H71 | N12 | C48 | H72 | 7.5° | 7.5° |
| C49 | C48 | C50 | H72 | 115.6° | 115.7° |
| C48 | C49 | O12 | N13 | 176.3° | 176.3° |
| C49 | C48 | C50 | C51 | 39.7° | 39.7° |
| C49 | C48 | C50 | H73 | 161.2° | 161.1° |
| C49 | C48 | C50 | H74 | 81.8° | 81.8° |
| C48 | C49 | N13 | C53 | 169.5° | 169.5° |
| C48 | C49 | N13 | H78 | 10.5° | 10.5° |
| C49 | C48 | N12 | C43 | 58.8° | 58.8° |
| C50 | C48 | C49 | O12 | 0.6° | 0.6° |
| C48 | C50 | C51 | H73 | 121.5° | 121.5° |
| C48 | C50 | C51 | H74 | 121.5° | 121.5° |
| C48 | C50 | H73 | H74 | 115.2° | 115.2° |
| C48 | C50 | C51 | C52 | 54.9° | 54.9° |
| C48 | C50 | C51 | H75 | 175.7° | 175.7° |
| C48 | C50 | C51 | H76 | 65.9° | 65.9° |
| C50 | C48 | N12 | C43 | 75.7° | 75.7° |
| C50 | C48 | C49 | N13 | 175.8° | 175.8° |
| H72 | C48 | C49 | O12 | 116.2° | 116.2° |
| H72 | C48 | C50 | C51 | 75.9° | 76.0° |
| H72 | C48 | C50 | H73 | 45.6° | 45.5° |
| H72 | C48 | C50 | H74 | 162.5° | 162.5° |
| H72 | C48 | N12 | C43 | 172.5° | 172.5° |
| H72 | C48 | C49 | N13 | 60.2° | 60.2° |
| O12 | C49 | N13 | C53 | 6.9° | 6.9° |
| O12 | C49 | N13 | H78 | 173.1° | 173.1° |
| C51 | C50 | H73 | H74 | 115.2° | 115.2° |
| C50 | C51 | C52 | H75 | 120.8° | 120.8° |
| C50 | C51 | C52 | H76 | 120.8° | 120.8° |
| C50 | C51 | H75 | H76 | 117.5° | 117.5° |
| C50 | C51 | C52 | O13 | 97.4° | 97.4° |
| C50 | C51 | C52 | O14 | 82.6° | 82.6° |
| H73 | C50 | C51 | C52 | 66.6° | 66.6° |
| H73 | C50 | C51 | H75 | 54.2° | 54.3° |
| H73 | C50 | C51 | H76 | 172.6° | 172.6° |
| H74 | C50 | C51 | C52 | 176.4° | 176.4° |
| H74 | C50 | C51 | H75 | 62.8° | 62.8° |
| H74 | C50 | C51 | H76 | 55.6° | 55.6° |
| C52 | C51 | H75 | H76 | 117.5° | 117.5° |
| C51 | C52 | O13 | O14 | 180.0° | 180.0° |
| C51 | C52 | O14 | H77 | 180.0° | 180.0° |
| H75 | C51 | C52 | O13 | 141.8° | 141.8° |
| H75 | C51 | C52 | O14 | 38.3° | 38.3° |
| H76 | C51 | C52 | O13 | 23.4° | 23.4° |
| H76 | C51 | C52 | O14 | 156.6° | 156.6° |
| O13 | C52 | O14 | H77 | 0.0° | 0.0° |
| C53 | N13 | H78 | C49 | 180.0° | 180.0° |
| N13 | C53 | C54 | C55 | 123.1° | 123.1° |
| N13 | C53 | C54 | H79 | 120.9° | 120.9° |
| N13 | C53 | C55 | H79 | 118.4° | 118.4° |
| N13 | C53 | C54 | O15 | 152.9° | 152.9° |
| N13 | C53 | C55 | S2 | 69.9° | 69.9° |
| N13 | C53 | C55 | H80 | 50.8° | 50.8° |
| N13 | C53 | C55 | H81 | 169.3° | 169.3° |
| N13 | C53 | C54 | N14 | 28.7° | 28.7° |
| H78 | N13 | C53 | C54 | 103.6° | 103.6° |
| H78 | N13 | C53 | C55 | 18.1° | 18.1° |
| H78 | N13 | C53 | H79 | 136.0° | 136.0° |
| C54 | C53 | C55 | H79 | 116.0° | 116.0° |
| C53 | C54 | O15 | N14 | 178.4° | 178.4° |
| C54 | C53 | C55 | S2 | 164.5° | 164.5° |
| C54 | C53 | C55 | H80 | 74.8° | 74.8° |
| C54 | C53 | C55 | H81 | 43.7° | 43.7° |
| C53 | C54 | N14 | C56 | 173.9° | 173.9° |
| C53 | C54 | N14 | H82 | 6.1° | 6.1° |
| C54 | C53 | N13 | C49 | 76.4° | 76.4° |
| C55 | C53 | C54 | O15 | 84.0° | 84.0° |
| C53 | C55 | S2 | H80 | 120.7° | 120.8° |
| C53 | C55 | S2 | H81 | 120.8° | 120.8° |
| C53 | C55 | H80 | H81 | 117.7° | 117.7° |
| C53 | C55 | S2 | C30 | 85.9° | 85.9° |
| C55 | C53 | N13 | C49 | 162.0° | 162.0° |
| C55 | C53 | C54 | N14 | 94.4° | 94.4° |
| H79 | C53 | C54 | O15 | 32.0° | 32.0° |
| H79 | C53 | C55 | S2 | 48.5° | 48.5° |
| H79 | C53 | C55 | H80 | 169.3° | 169.3° |
| H79 | C53 | C55 | H81 | 72.2° | 72.2° |
| H79 | C53 | N13 | C49 | 44.0° | 44.0° |
| H79 | C53 | C54 | N14 | 149.6° | 149.6° |
| O15 | C54 | N14 | C56 | 4.5° | 4.5° |
| O15 | C54 | N14 | H82 | 175.5° | 175.5° |
| S2 | C55 | H80 | H81 | 117.7° | 117.7° |
| H80 | C55 | S2 | C30 | 153.4° | 153.4° |
| H81 | C55 | S2 | C30 | 34.9° | 34.9° |
| C56 | N14 | H82 | C54 | 180.0° | 180.0° |
| N14 | C56 | C57 | H83 | 121.1° | 121.1° |
| N14 | C56 | C57 | H84 | 121.1° | 121.2° |
| N14 | C56 | H83 | H84 | 116.4° | 116.4° |
| N14 | C56 | C57 | O16 | 143.9° | 143.9° |
| N14 | C56 | C57 | N15 | 39.7° | 39.7° |
| H82 | N14 | C56 | C57 | 19.1° | 19.1° |
| H82 | N14 | C56 | H83 | 140.2° | 140.2° |
| H82 | N14 | C56 | H84 | 102.1° | 102.1° |
| C57 | C56 | H83 | H84 | 116.4° | 116.4° |
| C56 | C57 | O16 | N15 | 176.4° | 176.4° |
| C56 | C57 | N15 | C58 | 161.7° | 161.7° |
| C56 | C57 | N15 | H85 | 18.3° | 18.2° |
| C57 | C56 | N14 | C54 | 160.9° | 160.9° |
| H83 | C56 | C57 | O16 | 22.7° | 22.7° |
| H83 | C56 | C57 | N15 | 160.8° | 160.8° |
| H83 | C56 | N14 | C54 | 39.8° | 39.8° |
| H84 | C56 | C57 | O16 | 95.0° | 95.0° |
| H84 | C56 | C57 | N15 | 81.5° | 81.5° |
| H84 | C56 | N14 | C54 | 77.9° | 77.9° |
| O16 | C57 | N15 | C58 | 14.6° | 14.6° |
| O16 | C57 | N15 | H85 | 165.4° | 165.5° |
| N15 | C58 | C59 | C60 | 131.3° | 131.3° |
| N15 | C58 | C59 | H86 | 114.6° | 114.5° |
| N15 | C58 | C60 | H86 | 115.2° | 115.2° |
| N15 | C58 | C59 | O17 | 157.8° | 157.8° |
| N15 | C58 | C60 | C61 | 38.1° | 38.1° |
| C58 | N15 | H85 | C57 | 180.0° | 180.0° |
| N15 | C58 | C60 | H87 | 155.5° | 155.5° |
| N15 | C58 | C60 | S4 | 91.2° | 91.2° |
| N15 | C58 | C59 | N16 | 24.9° | 24.9° |
| C59 | C58 | C60 | H86 | 114.2° | 114.1° |
| C58 | C59 | O17 | N16 | 177.2° | 177.2° |
| C59 | C58 | C60 | C61 | 168.8° | 168.8° |
| C59 | C58 | N15 | H85 | 47.6° | 47.5° |
| C59 | C58 | C60 | H87 | 73.8° | 73.8° |
| C58 | C59 | N16 | C62 | 173.4° | 173.4° |
| C58 | C59 | N16 | H91 | 6.6° | 6.6° |
| C59 | C58 | N15 | C57 | 132.4° | 132.4° |
| C59 | C58 | C60 | S4 | 39.4° | 39.4° |
| C60 | C58 | C59 | O17 | 26.5° | 26.5° |
| C58 | C60 | C61 | H87 | 117.2° | 117.2° |
| C58 | C60 | C61 | S4 | 132.5° | 132.5° |
| C60 | C58 | N15 | H85 | 83.7° | 83.7° |
| C58 | C60 | H87 | S4 | 121.4° | 121.4° |
| C58 | C60 | C61 | H88 | 180.0° | 180.0° |
| C58 | C60 | C61 | H89 | 60.0° | 60.0° |
| C58 | C60 | C61 | H90 | 60.0° | 60.0° |
| C58 | C60 | S4 | C81 | 67.1° | 67.1° |
| C60 | C58 | N15 | C57 | 96.3° | 96.3° |
| C60 | C58 | C59 | N16 | 156.2° | 156.2° |
| O17 | C59 | C58 | H86 | 87.6° | 87.6° |
| O17 | C59 | N16 | C62 | 3.8° | 3.8° |
| O17 | C59 | N16 | H91 | 176.2° | 176.2° |
| C61 | C60 | C58 | H86 | 77.1° | 77.1° |
| C61 | C60 | H87 | S4 | 113.8° | 113.8° |
| C60 | C61 | H88 | H89 | 120.0° | 120.0° |
| C60 | C61 | H88 | H90 | 120.0° | 120.0° |
| C60 | C61 | H89 | H90 | 120.0° | 120.0° |
| C61 | C60 | S4 | C81 | 66.4° | 66.4° |
| H85 | N15 | C58 | H86 | 161.7° | 161.6° |
| H86 | C58 | C60 | H87 | 40.3° | 40.3° |
| H86 | C58 | N15 | C57 | 18.4° | 18.4° |
| H86 | C58 | C60 | S4 | 153.6° | 153.6° |
| H86 | C58 | C59 | N16 | 89.6° | 89.6° |
| H87 | C60 | C61 | H88 | 62.8° | 62.8° |
| H87 | C60 | C61 | H89 | 177.2° | 177.2° |
| H87 | C60 | C61 | H90 | 57.2° | 57.2° |
| H87 | C60 | S4 | C81 | 178.3° | 178.3° |
| H88 | C61 | H89 | H90 | 120.0° | 120.0° |
| H88 | C61 | C60 | S4 | 47.5° | 47.5° |
| H89 | C61 | C60 | S4 | 72.6° | 72.6° |
| H90 | C61 | C60 | S4 | 167.5° | 167.5° |
| C62 | N16 | H91 | C59 | 180.0° | 180.0° |
| N16 | C62 | C63 | C64 | 127.8° | 127.8° |
| N16 | C62 | C63 | H92 | 116.9° | 116.9° |
| N16 | C62 | C64 | H92 | 113.6° | 113.6° |
| N16 | C62 | C63 | O18 | 146.0° | 146.0° |
| N16 | C62 | C64 | C65 | 74.5° | 74.5° |
| N16 | C62 | C64 | C66 | 157.7° | 157.7° |
| N16 | C62 | C64 | H93 | 42.5° | 42.4° |
| N16 | C62 | C63 | N17 | 36.1° | 36.1° |
| H91 | N16 | C62 | C63 | 41.0° | 41.0° |
| H91 | N16 | C62 | C64 | 89.5° | 89.5° |
| H91 | N16 | C62 | H92 | 157.4° | 157.4° |
| C63 | C62 | C64 | H92 | 115.3° | 115.3° |
| C62 | C63 | O18 | N17 | 177.9° | 177.9° |
| C63 | C62 | C64 | C65 | 56.5° | 56.5° |
| C63 | C62 | C64 | C66 | 71.3° | 71.3° |
| C63 | C62 | C64 | H93 | 173.5° | 173.5° |
| C62 | C63 | N17 | C67 | 168.9° | 168.9° |
| C62 | C63 | N17 | H100 | 11.1° | 11.1° |
| C63 | C62 | N16 | C59 | 139.0° | 139.0° |
| C64 | C62 | C63 | O18 | 86.3° | 86.3° |
| C62 | C64 | C65 | C66 | 129.2° | 129.2° |
| C62 | C64 | C65 | H93 | 116.8° | 116.8° |
| C62 | C64 | C66 | H93 | 115.0° | 115.1° |
| C62 | C64 | C65 | H94 | 180.0° | 180.0° |
| C62 | C64 | C65 | H95 | 60.0° | 60.0° |
| C62 | C64 | C65 | H96 | 60.0° | 60.0° |
| C62 | C64 | C66 | H97 | 180.0° | 180.0° |
| C62 | C64 | C66 | H98 | 60.0° | 60.0° |
| C62 | C64 | C66 | H99 | 60.0° | 60.0° |
| C64 | C62 | N16 | C59 | 90.5° | 90.5° |
| C64 | C62 | C63 | N17 | 91.7° | 91.7° |
| H92 | C62 | C63 | O18 | 29.1° | 29.1° |
| H92 | C62 | C64 | C65 | 171.9° | 171.9° |
| H92 | C62 | C64 | C66 | 44.0° | 44.0° |
| H92 | C62 | C64 | H93 | 71.2° | 71.2° |
| H92 | C62 | N16 | C59 | 22.6° | 22.6° |
| H92 | C62 | C63 | N17 | 153.0° | 153.0° |
| O18 | C63 | N17 | C67 | 9.0° | 9.0° |
| O18 | C63 | N17 | H100 | 171.0° | 171.0° |
| C65 | C64 | C66 | H93 | 114.0° | 114.0° |
| C64 | C65 | H94 | H95 | 120.0° | 120.0° |
| C64 | C65 | H94 | H96 | 120.0° | 120.0° |
| C64 | C65 | H95 | H96 | 120.0° | 120.0° |
| C65 | C64 | C66 | H97 | 49.0° | 49.0° |
| C65 | C64 | C66 | H98 | 70.9° | 70.9° |
| C65 | C64 | C66 | H99 | 169.0° | 169.0° |
| C66 | C64 | C65 | H94 | 50.8° | 50.8° |
| C66 | C64 | C65 | H95 | 170.8° | 170.8° |
| C66 | C64 | C65 | H96 | 69.2° | 69.2° |
| C64 | C66 | H97 | H98 | 120.0° | 120.0° |
| C64 | C66 | H97 | H99 | 120.0° | 120.0° |
| C64 | C66 | H98 | H99 | 120.0° | 120.0° |
| H93 | C64 | C65 | H94 | 63.2° | 63.2° |
| H93 | C64 | C65 | H95 | 56.8° | 56.8° |
| H93 | C64 | C65 | H96 | 176.8° | 176.8° |
| H93 | C64 | C66 | H97 | 65.0° | 65.0° |
| H93 | C64 | C66 | H98 | 175.0° | 175.1° |
| H93 | C64 | C66 | H99 | 55.0° | 55.1° |
| H94 | C65 | H95 | H96 | 119.9° | 120.0° |
| H97 | C66 | H98 | H99 | 120.0° | 120.0° |
| C67 | N17 | H100 | C63 | 180.0° | 180.0° |
| N17 | C67 | C68 | C69 | 127.2° | 127.2° |
| N17 | C67 | C68 | H101 | 115.4° | 115.4° |
| N17 | C67 | C69 | H101 | 114.4° | 114.4° |
| N17 | C67 | C68 | O19 | 114.1° | 114.1° |
| N17 | C67 | C69 | C70 | 65.9° | 65.9° |
| N17 | C67 | C69 | C71 | 165.2° | 165.2° |
| N17 | C67 | C69 | H102 | 49.4° | 49.5° |
| N17 | C67 | C68 | N18 | 64.8° | 64.8° |
| H100 | N17 | C67 | C68 | 102.8° | 102.8° |
| H100 | N17 | C67 | C69 | 28.4° | 28.4° |
| H100 | N17 | C67 | H101 | 142.3° | 142.3° |
| C68 | C67 | C69 | H101 | 117.5° | 117.5° |
| C67 | C68 | O19 | N18 | 178.8° | 178.8° |
| C68 | C67 | C69 | C70 | 166.0° | 166.0° |
| C68 | C67 | C69 | C71 | 37.1° | 37.1° |
| C68 | C67 | C69 | H102 | 78.7° | 78.6° |
| C67 | C68 | N18 | C73 | 171.9° | 171.9° |
| C67 | C68 | N18 | H111 | 8.2° | 8.2° |
| C68 | C67 | N17 | C63 | 77.2° | 77.2° |
| C69 | C67 | C68 | O19 | 118.7° | 118.7° |
| C67 | C69 | C70 | C71 | 131.5° | 131.5° |
| C67 | C69 | C70 | H102 | 115.2° | 115.2° |
| C67 | C69 | C71 | H102 | 115.7° | 115.6° |
| C67 | C69 | C70 | C72 | 62.2° | 62.2° |
| C67 | C69 | C70 | H103 | 59.0° | 59.0° |
| C67 | C69 | C70 | H104 | 176.6° | 176.6° |
| C67 | C69 | C71 | H105 | 180.0° | 180.0° |
| C67 | C69 | C71 | H106 | 60.0° | 60.0° |
| C67 | C69 | C71 | H107 | 60.0° | 60.0° |
| C69 | C67 | N17 | C63 | 151.6° | 151.6° |
| C69 | C67 | C68 | N18 | 62.4° | 62.4° |
| H101 | C67 | C68 | O19 | 1.3° | 1.3° |
| H101 | C67 | C69 | C70 | 48.5° | 48.5° |
| H101 | C67 | C69 | C71 | 80.4° | 80.3° |
| H101 | C67 | C69 | H102 | 163.8° | 163.9° |
| H101 | C67 | N17 | C63 | 37.7° | 37.7° |
| H101 | C67 | C68 | N18 | 179.8° | 179.8° |
| O19 | C68 | N18 | C73 | 7.0° | 7.0° |
| O19 | C68 | N18 | H111 | 173.0° | 173.0° |
| C70 | C69 | C71 | H102 | 113.2° | 113.2° |
| C69 | C70 | C72 | H103 | 121.2° | 121.2° |
| C69 | C70 | C72 | H104 | 121.2° | 121.2° |
| C69 | C70 | H103 | H104 | 116.3° | 116.3° |
| C70 | C69 | C71 | H105 | 48.8° | 48.8° |
| C70 | C69 | C71 | H106 | 168.8° | 168.8° |
| C70 | C69 | C71 | H107 | 71.2° | 71.2° |
| C69 | C70 | C72 | H108 | 180.0° | 180.0° |
| C69 | C70 | C72 | H109 | 60.0° | 60.0° |
| C69 | C70 | C72 | H110 | 60.0° | 60.0° |
| C71 | C69 | C70 | C72 | 69.3° | 69.3° |
| C71 | C69 | C70 | H103 | 169.5° | 169.5° |
| C71 | C69 | C70 | H104 | 51.8° | 51.8° |
| C69 | C71 | H105 | H106 | 120.0° | 120.0° |
| C69 | C71 | H105 | H107 | 120.0° | 120.0° |
| C69 | C71 | H106 | H107 | 119.9° | 120.0° |
| H102 | C69 | C70 | C72 | 177.4° | 177.4° |
| H102 | C69 | C70 | H103 | 56.3° | 56.2° |
| H102 | C69 | C70 | H104 | 61.4° | 61.4° |
| H102 | C69 | C71 | H105 | 64.4° | 64.4° |
| H102 | C69 | C71 | H106 | 55.7° | 55.6° |
| H102 | C69 | C71 | H107 | 175.6° | 175.6° |
| C72 | C70 | H103 | H104 | 116.3° | 116.3° |
| C70 | C72 | H108 | H109 | 120.0° | 120.0° |
| C70 | C72 | H108 | H110 | 120.0° | 120.0° |
| C70 | C72 | H109 | H110 | 119.9° | 120.0° |
| H103 | C70 | C72 | H108 | 58.8° | 58.8° |
| H103 | C70 | C72 | H109 | 178.8° | 178.8° |
| H103 | C70 | C72 | H110 | 61.2° | 61.2° |
| H104 | C70 | C72 | H108 | 58.8° | 58.8° |
| H104 | C70 | C72 | H109 | 61.2° | 61.2° |
| H104 | C70 | C72 | H110 | 178.8° | 178.9° |
| H105 | C71 | H106 | H107 | 120.0° | 120.0° |
| H108 | C72 | H109 | H110 | 120.0° | 120.0° |
| C73 | N18 | H111 | C68 | 180.0° | 180.0° |
| N18 | C73 | C74 | C75 | 122.3° | 122.3° |
| N18 | C73 | C74 | H112 | 117.5° | 117.5° |
| N18 | C73 | C75 | H112 | 114.8° | 114.8° |
| N18 | C73 | C74 | O20 | 19.3° | 19.3° |
| N18 | C73 | C75 | S3 | 97.0° | 97.0° |
| N18 | C73 | C75 | H113 | 23.2° | 23.2° |
| N18 | C73 | C75 | H114 | 142.8° | 142.8° |
| N18 | C73 | C74 | N19 | 162.0° | 162.0° |
| H111 | N18 | C73 | C74 | 99.5° | 99.5° |
| H111 | N18 | C73 | C75 | 29.2° | 29.2° |
| H111 | N18 | C73 | H112 | 143.5° | 143.5° |
| C74 | C73 | C75 | H112 | 120.2° | 120.2° |
| C73 | C74 | O20 | N19 | 178.6° | 178.6° |
| C74 | C73 | C75 | S3 | 138.1° | 138.1° |
| C74 | C73 | C75 | H113 | 101.7° | 101.7° |
| C74 | C73 | C75 | H114 | 17.9° | 17.9° |
| C73 | C74 | N19 | C76 | 161.6° | 161.6° |
| C73 | C74 | N19 | H115 | 18.4° | 18.4° |
| C74 | C73 | N18 | C68 | 80.5° | 80.5° |
| C75 | C73 | C74 | O20 | 141.6° | 141.6° |
| C73 | C75 | S3 | H113 | 120.2° | 120.2° |
| C73 | C75 | S3 | H114 | 120.2° | 120.2° |
| C73 | C75 | H113 | H114 | 119.4° | 119.4° |
| C73 | C75 | S3 | C40 | 78.4° | 78.4° |
| C75 | C73 | N18 | C68 | 150.8° | 150.8° |
| C75 | C73 | C74 | N19 | 39.7° | 39.7° |
| H112 | C73 | C74 | O20 | 98.2° | 98.2° |
| H112 | C73 | C75 | S3 | 17.9° | 17.9° |
| H112 | C73 | C75 | H113 | 138.1° | 138.1° |
| H112 | C73 | C75 | H114 | 102.3° | 102.3° |
| H112 | C73 | N18 | C68 | 36.5° | 36.5° |
| H112 | C73 | C74 | N19 | 80.5° | 80.5° |
| O20 | C74 | N19 | C76 | 19.8° | 19.8° |
| O20 | C74 | N19 | H115 | 160.3° | 160.3° |
| S3 | C75 | H113 | H114 | 119.4° | 119.4° |
| H113 | C75 | S3 | C40 | 161.4° | 161.4° |
| H114 | C75 | S3 | C40 | 41.8° | 41.8° |
| C76 | N19 | H115 | C74 | 180.0° | 180.0° |
| N19 | C76 | C77 | C78 | 125.2° | 125.2° |
| N19 | C76 | C77 | H116 | 117.4° | 117.4° |
| N19 | C76 | C78 | H116 | 115.4° | 115.4° |
| N19 | C76 | C77 | O21 | 125.1° | 125.1° |
| N19 | C76 | C78 | H117 | 180.0° | 180.0° |
| N19 | C76 | C78 | H118 | 60.0° | 60.0° |
| N19 | C76 | C78 | H119 | 60.0° | 60.0° |
| N19 | C76 | C77 | N20 | 64.7° | 64.7° |
| H115 | N19 | C76 | C77 | 99.0° | 99.0° |
| H115 | N19 | C76 | C78 | 29.0° | 29.0° |
| H115 | N19 | C76 | H116 | 144.0° | 144.0° |
| C77 | C76 | C78 | H116 | 117.4° | 117.4° |
| C76 | C77 | O21 | N20 | 169.4° | 169.4° |
| C77 | C76 | C78 | H117 | 52.7° | 52.7° |
| C77 | C76 | C78 | H118 | 172.8° | 172.8° |
| C77 | C76 | C78 | H119 | 67.3° | 67.3° |
| C76 | C77 | N20 | C79 | 102.5° | 102.5° |
| C76 | C77 | N20 | H120 | 77.5° | 77.5° |
| C77 | C76 | N19 | C74 | 81.0° | 81.0° |
| C78 | C76 | C77 | O21 | 0.1° | 0.1° |
| C76 | C78 | H117 | H118 | 120.0° | 120.0° |
| C76 | C78 | H117 | H119 | 120.0° | 120.0° |
| C76 | C78 | H118 | H119 | 120.0° | 120.0° |
| C78 | C76 | N19 | C74 | 151.1° | 151.1° |
| C78 | C76 | C77 | N20 | 170.0° | 170.0° |
| H116 | C76 | C77 | O21 | 117.5° | 117.5° |
| H116 | C76 | C78 | H117 | 64.6° | 64.6° |
| H116 | C76 | C78 | H118 | 55.4° | 55.4° |
| H116 | C76 | C78 | H119 | 175.4° | 175.4° |
| H116 | C76 | N19 | C74 | 36.0° | 36.0° |
| H116 | C76 | C77 | N20 | 52.6° | 52.6° |
| O21 | C77 | N20 | C79 | 67.8° | 67.8° |
| O21 | C77 | N20 | H120 | 112.2° | 112.2° |
| H117 | C78 | H118 | H119 | 120.0° | 120.0° |
| C79 | N20 | H120 | C77 | 180.0° | 180.0° |
| N20 | C79 | C80 | C81 | 120.5° | 120.5° |
| N20 | C79 | C80 | H121 | 119.7° | 119.7° |
| N20 | C79 | C81 | H121 | 121.0° | 121.0° |
| N20 | C79 | C80 | O22 | 59.2° | 59.2° |
| N20 | C79 | C80 | O23 | 120.8° | 120.8° |
| N20 | C79 | C81 | S4 | 164.1° | 164.1° |
| N20 | C79 | C81 | H122 | 75.8° | 75.8° |
| N20 | C79 | C81 | H123 | 44.0° | 44.0° |
| H120 | N20 | C79 | C80 | 76.3° | 76.4° |
| H120 | N20 | C79 | C81 | 44.3° | 44.3° |
| H120 | N20 | C79 | H121 | 164.6° | 164.6° |
| C80 | C79 | C81 | H121 | 120.0° | 120.0° |
| C79 | C80 | O22 | O23 | 180.0° | 180.0° |
| C80 | C79 | C81 | S4 | 45.1° | 45.1° |
| C80 | C79 | C81 | H122 | 165.2° | 165.2° |
| C80 | C79 | C81 | H123 | 75.0° | 75.0° |
| C79 | C80 | O23 | H124 | 180.0° | 180.0° |
| C80 | C79 | N20 | C77 | 103.6° | 103.6° |
| C81 | C79 | C80 | O22 | 61.3° | 61.3° |
| C81 | C79 | C80 | O23 | 118.6° | 118.6° |
| C79 | C81 | S4 | H122 | 120.1° | 120.1° |
| C79 | C81 | S4 | H123 | 120.1° | 120.1° |
| C79 | C81 | H122 | H123 | 119.8° | 119.8° |
| C79 | C81 | S4 | C60 | 150.1° | 150.1° |
| C81 | C79 | N20 | C77 | 135.7° | 135.7° |
| H121 | C79 | C80 | O22 | 178.9° | 178.9° |
| H121 | C79 | C80 | O23 | 1.2° | 1.2° |
| H121 | C79 | C81 | S4 | 74.9° | 74.9° |
| H121 | C79 | C81 | H122 | 45.2° | 45.2° |
| H121 | C79 | C81 | H123 | 165.1° | 165.1° |
| H121 | C79 | N20 | C77 | 15.4° | 15.4° |
| O22 | C80 | O23 | H124 | 0.0° | 0.0° |
| S4 | C81 | H122 | H123 | 119.8° | 119.8° |
| H122 | C81 | S4 | C60 | 89.9° | 89.9° |
| H123 | C81 | S4 | C60 | 30.0° | 30.0° |
