A1IYB
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C14 | N15 | doub | 1.29Å | 1.29Å | Aromatic |
| C14 | S13 | sing | 1.71Å | 1.72Å | Aromatic |
| N15 | C16 | sing | 1.32Å | 1.38Å | Aromatic |
| S13 | C8 | sing | 1.76Å | 1.73Å | Aromatic |
| C16 | C17 | sing | 1.51Å | 1.49Å | |
| C16 | C8 | doub | 1.35Å | 1.37Å | Aromatic |
| C8 | C5 | sing | 1.48Å | 1.48Å | |
| O48 | C25 | doub | 1.22Å | 1.23Å | |
| C38 | C37 | sing | 1.55Å | 1.51Å | |
| C38 | C39 | sing | 1.55Å | 1.48Å | |
| C6 | C5 | doub | 1.40Å | 1.39Å | Aromatic |
| C6 | C7 | sing | 1.38Å | 1.38Å | Aromatic |
| C5 | C4 | sing | 1.40Å | 1.39Å | Aromatic |
| C37 | C36 | sing | 1.54Å | 1.53Å | |
| BR49 | C19 | sing | 1.89Å | 1.90Å | |
| C25 | N26 | sing | 1.35Å | 1.39Å | |
| C25 | C24 | sing | 1.47Å | 1.48Å | |
| N26 | C27 | sing | 1.38Å | 1.31Å | |
| C7 | C2 | doub | 1.38Å | 1.39Å | Aromatic |
| C36 | C40 | sing | 1.54Å | 1.53Å | |
| C36 | N35 | sing | 1.46Å | 1.49Å | |
| C39 | C40 | sing | 1.54Å | 1.53Å | |
| C4 | C3 | doub | 1.38Å | 1.38Å | Aromatic |
| C27 | N35 | doub | 1.32Å | 1.38Å | Aromatic |
| C27 | N28 | sing | 1.37Å | 1.38Å | Aromatic |
| C24 | C19 | doub | 1.39Å | 1.41Å | Aromatic |
| C24 | C23 | sing | 1.40Å | 1.42Å | Aromatic |
| C19 | C20 | sing | 1.38Å | 1.38Å | Aromatic |
| C2 | C3 | sing | 1.38Å | 1.39Å | Aromatic |
| C2 | C9 | sing | 1.51Å | 1.52Å | |
| N35 | C34 | sing | 1.36Å | 1.40Å | Aromatic |
| O72 | C73 | doub | 1.21Å | 1.23Å | |
| C65 | C67 | sing | 1.53Å | 1.53Å | |
| C9 | C11 | sing | 1.53Å | 1.52Å | |
| C9 | N10 | sing | 1.46Å | 1.46Å | |
| N28 | C23 | sing | 1.39Å | 1.44Å | |
| N28 | C29 | sing | 1.39Å | 1.41Å | Aromatic |
| C23 | C22 | doub | 1.39Å | 1.39Å | Aromatic |
| C20 | C21 | doub | 1.39Å | 1.38Å | Aromatic |
| C34 | C29 | doub | 1.40Å | 1.39Å | Aromatic |
| C34 | C33 | sing | 1.40Å | 1.39Å | Aromatic |
| C73 | N10 | sing | 1.35Å | 1.34Å | |
| C73 | C76 | sing | 1.51Å | 1.53Å | |
| C11 | O12 | sing | 1.43Å | 1.42Å | |
| C64 | C67 | sing | 1.53Å | 1.53Å | |
| C29 | C30 | sing | 1.39Å | 1.39Å | Aromatic |
| C33 | C32 | doub | 1.38Å | 1.40Å | Aromatic |
| C67 | C66 | sing | 1.53Å | 1.53Å | |
| C67 | C69 | sing | 1.53Å | 1.56Å | |
| C75 | C76 | sing | 1.54Å | 1.53Å | |
| C75 | C79 | sing | 1.55Å | 1.52Å | |
| C22 | C21 | sing | 1.38Å | 1.38Å | Aromatic |
| C78 | C79 | sing | 1.55Å | 1.52Å | |
| C78 | N77 | sing | 1.47Å | 1.47Å | |
| C76 | N77 | sing | 1.47Å | 1.47Å | |
| C79 | O74 | sing | 1.43Å | 1.43Å | |
| N77 | C71 | sing | 1.35Å | 1.35Å | |
| O12 | C1 | sing | 1.43Å | 1.42Å | |
| C71 | C69 | sing | 1.51Å | 1.54Å | |
| C71 | O70 | doub | 1.21Å | 1.22Å | |
| C69 | N68 | sing | 1.47Å | 1.46Å | |
| C30 | C31 | doub | 1.38Å | 1.39Å | Aromatic |
| C32 | C31 | sing | 1.39Å | 1.40Å | Aromatic |
| C32 | C41 | sing | 1.51Å | 1.52Å | |
| C42 | C41 | sing | 1.53Å | 1.53Å | |
| C42 | C43 | sing | 1.53Å | 1.52Å | |
| C1 | C18 | sing | 1.53Å | 1.50Å | |
| C31 | O47 | sing | 1.36Å | 1.37Å | |
| C41 | C46 | sing | 1.53Å | 1.53Å | |
| C46 | C45 | sing | 1.53Å | 1.52Å | |
| N44 | C43 | sing | 1.47Å | 1.50Å | |
| N44 | C45 | sing | 1.47Å | 1.50Å | |
| N44 | C18 | sing | 1.47Å | 1.50Å | |
| N68 | C63 | sing | 1.35Å | 1.34Å | |
| O47 | C50 | sing | 1.43Å | 1.43Å | |
| C63 | O61 | doub | 1.21Å | 1.22Å | |
| C63 | C62 | sing | 1.51Å | 1.54Å | |
| C50 | C51 | sing | 1.53Å | 1.51Å | |
| C56 | N60 | sing | 1.47Å | 1.46Å | |
| N60 | C62 | sing | 1.47Å | 1.49Å | |
| N60 | C57 | sing | 1.47Å | 1.46Å | |
| O55 | C51 | sing | 1.44Å | 1.44Å | |
| O55 | C54 | sing | 1.44Å | 1.43Å | |
| C62 | C59 | sing | 1.53Å | 1.51Å | |
| C62 | C58 | sing | 1.53Å | 1.51Å | |
| C51 | C52 | sing | 1.55Å | 1.52Å | |
| C54 | C53 | sing | 1.54Å | 1.49Å | |
| C59 | C58 | sing | 1.53Å | 1.49Å | |
| C52 | C53 | sing | 1.54Å | 1.51Å | |
| C4 | H83 | sing | 1.08Å | 1.08Å | |
| C6 | H84 | sing | 1.08Å | 1.08Å | |
| C7 | H85 | sing | 1.08Å | 1.08Å | |
| C17 | H91 | sing | 1.09Å | 1.10Å | |
| C17 | H92 | sing | 1.09Å | 1.10Å | |
| C17 | H93 | sing | 1.09Å | 1.10Å | |
| C20 | H96 | sing | 1.08Å | 1.08Å | |
| C21 | H97 | sing | 1.08Å | 1.08Å | |
| C22 | H98 | sing | 1.08Å | 1.08Å | |
| C1 | H80 | sing | 1.09Å | 1.10Å | |
| C1 | H81 | sing | 1.09Å | 1.10Å | |
| C3 | H82 | sing | 1.08Å | 1.08Å | |
| C9 | H86 | sing | 1.09Å | 1.10Å | |
| N10 | H87 | sing | 0.97Å | 1.00Å | |
| C11 | H88 | sing | 1.09Å | 1.10Å | |
| C11 | H89 | sing | 1.09Å | 1.10Å | |
| C14 | H90 | sing | 1.08Å | 1.08Å | |
| C18 | H94 | sing | 1.09Å | 1.10Å | |
| C18 | H95 | sing | 1.09Å | 1.10Å | |
| N26 | H1 | sing | 0.97Å | 1.00Å | |
| C30 | H99 | sing | 1.08Å | 1.08Å | |
| C33 | H100 | sing | 1.08Å | 1.08Å | |
| C36 | H101 | sing | 1.09Å | 1.10Å | |
| C37 | H103 | sing | 1.09Å | 1.10Å | |
| C37 | H102 | sing | 1.09Å | 1.10Å | |
| C38 | H104 | sing | 1.09Å | 1.10Å | |
| C38 | H105 | sing | 1.09Å | 1.10Å | |
| C39 | H106 | sing | 1.09Å | 1.10Å | |
| C39 | H107 | sing | 1.09Å | 1.10Å | |
| C40 | H108 | sing | 1.09Å | 1.10Å | |
| C40 | H109 | sing | 1.09Å | 1.10Å | |
| C41 | H110 | sing | 1.09Å | 1.10Å | |
| C42 | H111 | sing | 1.09Å | 1.10Å | |
| C42 | H112 | sing | 1.09Å | 1.10Å | |
| C43 | H113 | sing | 1.09Å | 1.10Å | |
| C43 | H114 | sing | 1.09Å | 1.10Å | |
| C45 | H117 | sing | 1.09Å | 1.10Å | |
| C45 | H116 | sing | 1.09Å | 1.10Å | |
| C46 | H118 | sing | 1.09Å | 1.10Å | |
| C46 | H119 | sing | 1.09Å | 1.10Å | |
| C50 | H120 | sing | 1.09Å | 1.10Å | |
| C50 | H121 | sing | 1.09Å | 1.10Å | |
| C51 | H122 | sing | 1.09Å | 1.10Å | |
| C52 | H123 | sing | 1.09Å | 1.10Å | |
| C52 | H124 | sing | 1.09Å | 1.10Å | |
| C53 | H126 | sing | 1.09Å | 1.10Å | |
| C53 | H125 | sing | 1.09Å | 1.10Å | |
| C54 | H128 | sing | 1.09Å | 1.10Å | |
| C54 | H127 | sing | 1.09Å | 1.10Å | |
| C56 | H129 | sing | 1.09Å | 1.10Å | |
| C56 | H130 | sing | 1.09Å | 1.10Å | |
| C56 | H131 | sing | 1.09Å | 1.10Å | |
| C57 | H134 | sing | 1.09Å | 1.10Å | |
| C57 | H132 | sing | 1.09Å | 1.10Å | |
| C57 | H133 | sing | 1.09Å | 1.10Å | |
| C58 | H136 | sing | 1.09Å | 1.10Å | |
| C58 | H135 | sing | 1.09Å | 1.10Å | |
| C59 | H138 | sing | 1.09Å | 1.10Å | |
| C59 | H137 | sing | 1.09Å | 1.10Å | |
| C64 | H140 | sing | 1.09Å | 1.10Å | |
| C64 | H141 | sing | 1.09Å | 1.10Å | |
| C64 | H139 | sing | 1.09Å | 1.10Å | |
| C65 | H144 | sing | 1.09Å | 1.10Å | |
| C65 | H142 | sing | 1.09Å | 1.10Å | |
| C65 | H143 | sing | 1.09Å | 1.10Å | |
| C66 | H146 | sing | 1.09Å | 1.10Å | |
| C66 | H147 | sing | 1.09Å | 1.10Å | |
| C66 | H145 | sing | 1.09Å | 1.10Å | |
| N68 | H148 | sing | 0.97Å | 1.00Å | |
| C69 | H149 | sing | 1.09Å | 1.10Å | |
| O74 | H150 | sing | 0.97Å | 0.95Å | |
| C75 | H151 | sing | 1.09Å | 1.10Å | |
| C75 | H152 | sing | 1.09Å | 1.10Å | |
| C76 | H153 | sing | 1.09Å | 1.10Å | |
| C78 | H155 | sing | 1.09Å | 1.10Å | |
| C78 | H154 | sing | 1.09Å | 1.10Å | |
| C79 | H156 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N15 | C14 | S13 | 116.1° | 110.4° |
| C14 | N15 | C16 | 110.5° | 117.3° |
| N15 | C14 | H90 | 122.0° | 124.8° |
| C14 | S13 | C8 | 88.6° | 90.3° |
| S13 | C14 | H90 | 121.9° | 124.8° |
| N15 | C16 | C17 | 118.4° | 122.9° |
| N15 | C16 | C8 | 114.8° | 114.2° |
| S13 | C8 | C16 | 110.0° | 107.9° |
| S13 | C8 | C5 | 119.5° | 126.1° |
| C17 | C16 | C8 | 126.8° | 123.0° |
| C16 | C17 | H91 | 109.5° | 109.5° |
| C16 | C17 | H92 | 109.5° | 109.5° |
| C16 | C17 | H93 | 109.5° | 109.5° |
| C16 | C8 | C5 | 130.5° | 126.1° |
| C8 | C5 | C6 | 120.8° | 120.1° |
| C8 | C5 | C4 | 120.8° | 120.1° |
| O48 | C25 | N26 | 120.1° | 120.6° |
| O48 | C25 | C24 | 122.0° | 120.6° |
| C37 | C38 | C39 | 104.3° | 102.7° |
| C38 | C37 | C36 | 104.1° | 104.2° |
| C38 | C37 | H103 | 110.8° | 110.5° |
| C38 | C37 | H102 | 110.8° | 110.6° |
| C37 | C38 | H104 | 110.8° | 110.7° |
| C37 | C38 | H105 | 110.8° | 110.8° |
| C38 | C39 | C40 | 105.9° | 104.2° |
| C39 | C38 | H104 | 110.8° | 110.7° |
| C39 | C38 | H105 | 110.7° | 110.8° |
| C38 | C39 | H106 | 110.4° | 110.5° |
| C38 | C39 | H107 | 110.3° | 110.5° |
| C5 | C6 | C7 | 120.6° | 119.8° |
| C6 | C5 | C4 | 118.3° | 119.7° |
| C5 | C6 | H84 | 119.7° | 120.1° |
| C6 | C7 | C2 | 121.1° | 120.2° |
| C7 | C6 | H84 | 119.7° | 120.1° |
| C6 | C7 | H85 | 119.4° | 119.9° |
| C5 | C4 | C3 | 120.6° | 119.9° |
| C5 | C4 | H83 | 119.7° | 120.1° |
| C37 | C36 | C40 | 105.5° | 106.6° |
| C37 | C36 | N35 | 114.2° | 110.0° |
| C37 | C36 | H101 | 107.3° | 110.0° |
| C36 | C37 | H103 | 110.8° | 110.5° |
| C36 | C37 | H102 | 110.8° | 110.5° |
| BR49 | C19 | C24 | 122.1° | 120.2° |
| BR49 | C19 | C20 | 116.8° | 120.2° |
| N26 | C25 | C24 | 117.9° | 118.9° |
| C25 | N26 | C27 | 120.1° | 121.3° |
| C25 | N26 | H1 | 119.9° | 119.3° |
| C25 | C24 | C19 | 121.8° | 121.4° |
| C25 | C24 | C23 | 119.9° | 118.5° |
| N26 | C27 | N35 | 125.2° | 129.5° |
| N26 | C27 | N28 | 126.7° | 121.2° |
| C27 | N26 | H1 | 120.0° | 119.4° |
| C7 | C2 | C3 | 118.1° | 120.3° |
| C7 | C2 | C9 | 120.3° | 119.9° |
| C2 | C7 | H85 | 119.5° | 119.9° |
| C40 | C36 | N35 | 114.3° | 110.0° |
| C36 | C40 | C39 | 105.6° | 106.6° |
| C40 | C36 | H101 | 107.3° | 110.1° |
| C36 | C40 | H108 | 110.4° | 110.0° |
| C36 | C40 | H109 | 110.4° | 110.0° |
| C36 | N35 | C27 | 124.0° | 125.0° |
| C36 | N35 | C34 | 127.4° | 125.1° |
| N35 | C36 | H101 | 107.9° | 110.0° |
| C40 | C39 | H106 | 110.4° | 110.5° |
| C40 | C39 | H107 | 110.3° | 110.5° |
| C39 | C40 | H108 | 110.4° | 110.0° |
| C39 | C40 | H109 | 110.4° | 110.0° |
| C4 | C3 | C2 | 121.1° | 120.1° |
| C3 | C4 | H83 | 119.7° | 120.1° |
| C4 | C3 | H82 | 119.4° | 119.9° |
| N35 | C27 | N28 | 108.1° | 109.3° |
| C27 | N35 | C34 | 108.5° | 109.9° |
| C27 | N28 | C23 | 117.5° | 120.8° |
| C27 | N28 | C29 | 108.6° | 107.6° |
| C19 | C24 | C23 | 118.3° | 120.1° |
| C24 | C19 | C20 | 121.2° | 119.5° |
| C24 | C23 | N28 | 118.0° | 119.3° |
| C24 | C23 | C22 | 119.6° | 119.6° |
| C19 | C20 | C21 | 119.6° | 120.3° |
| C19 | C20 | H96 | 120.2° | 119.8° |
| C3 | C2 | C9 | 121.3° | 119.9° |
| C2 | C3 | H82 | 119.5° | 119.9° |
| C2 | C9 | C11 | 108.2° | 109.5° |
| C2 | C9 | N10 | 113.0° | 109.5° |
| C2 | C9 | H86 | 107.7° | 109.5° |
| N35 | C34 | C29 | 108.0° | 107.1° |
| N35 | C34 | C33 | 130.6° | 133.3° |
| O72 | C73 | N10 | 123.5° | 119.9° |
| O72 | C73 | C76 | 120.9° | 120.0° |
| C65 | C67 | C64 | 108.3° | 109.5° |
| C65 | C67 | C66 | 108.4° | 109.5° |
| C65 | C67 | C69 | 110.7° | 109.5° |
| C67 | C65 | H144 | 109.5° | 109.4° |
| C67 | C65 | H142 | 109.5° | 109.5° |
| C67 | C65 | H143 | 109.5° | 109.5° |
| C11 | C9 | N10 | 111.6° | 109.5° |
| C9 | C11 | O12 | 107.8° | 109.5° |
| C11 | C9 | H86 | 107.7° | 109.5° |
| C9 | C11 | H88 | 109.9° | 109.5° |
| C9 | C11 | H89 | 109.9° | 109.5° |
| C9 | N10 | C73 | 124.1° | 120.0° |
| N10 | C9 | H86 | 108.4° | 109.4° |
| C9 | N10 | H87 | 117.9° | 120.0° |
| C23 | N28 | C29 | 134.0° | 131.6° |
| N28 | C23 | C22 | 122.4° | 121.1° |
| N28 | C29 | C34 | 106.8° | 106.1° |
| N28 | C29 | C30 | 132.6° | 133.9° |
| C23 | C22 | C21 | 120.4° | 119.9° |
| C23 | C22 | H98 | 119.8° | 120.1° |
| C20 | C21 | C22 | 120.8° | 120.6° |
| C21 | C20 | H96 | 120.2° | 119.9° |
| C20 | C21 | H97 | 119.6° | 119.7° |
| C29 | C34 | C33 | 121.4° | 119.6° |
| C34 | C29 | C30 | 120.6° | 120.0° |
| C34 | C33 | C32 | 119.0° | 119.8° |
| C34 | C33 | H100 | 120.5° | 120.1° |
| N10 | C73 | C76 | 115.6° | 120.0° |
| C73 | N10 | H87 | 118.0° | 119.9° |
| C73 | C76 | C75 | 109.8° | 109.9° |
| C73 | C76 | N77 | 116.0° | 109.9° |
| C73 | C76 | H153 | 108.9° | 109.9° |
| C11 | O12 | C1 | 115.6° | 114.0° |
| O12 | C11 | H88 | 109.9° | 109.4° |
| O12 | C11 | H89 | 109.9° | 109.4° |
| C64 | C67 | C66 | 108.4° | 109.5° |
| C64 | C67 | C69 | 111.9° | 109.5° |
| C67 | C64 | H140 | 109.5° | 109.5° |
| C67 | C64 | H141 | 109.5° | 109.5° |
| C67 | C64 | H139 | 109.5° | 109.5° |
| C29 | C30 | C31 | 117.9° | 119.8° |
| C29 | C30 | H99 | 121.1° | 120.1° |
| C33 | C32 | C31 | 119.1° | 120.5° |
| C33 | C32 | C41 | 120.7° | 119.7° |
| C32 | C33 | H100 | 120.5° | 120.1° |
| C66 | C67 | C69 | 109.0° | 109.5° |
| C67 | C66 | H146 | 109.5° | 109.4° |
| C67 | C66 | H147 | 109.5° | 109.5° |
| C67 | C66 | H145 | 109.4° | 109.5° |
| C67 | C69 | C71 | 114.5° | 109.5° |
| C67 | C69 | N68 | 112.2° | 109.5° |
| C67 | C69 | H149 | 107.2° | 109.5° |
| C76 | C75 | C79 | 104.0° | 102.9° |
| C75 | C76 | N77 | 103.4° | 107.3° |
| C76 | C75 | H151 | 110.8° | 110.7° |
| C76 | C75 | H152 | 110.8° | 110.7° |
| C75 | C76 | H153 | 108.8° | 109.9° |
| C75 | C79 | C78 | 103.1° | 101.6° |
| C75 | C79 | O74 | 110.1° | 111.0° |
| C79 | C75 | H151 | 110.8° | 110.7° |
| C79 | C75 | H152 | 110.8° | 110.7° |
| C75 | C79 | H156 | 110.4° | 111.0° |
| C22 | C21 | H97 | 119.6° | 119.7° |
| C21 | C22 | H98 | 119.8° | 120.0° |
| C79 | C78 | N77 | 103.0° | 104.8° |
| C78 | C79 | O74 | 110.8° | 111.0° |
| C79 | C78 | H155 | 111.1° | 110.3° |
| C79 | C78 | H154 | 111.1° | 110.3° |
| C78 | C79 | H156 | 110.4° | 111.0° |
| C78 | N77 | C76 | 111.8° | 108.7° |
| C78 | N77 | C71 | 129.1° | 125.6° |
| N77 | C78 | H155 | 111.1° | 110.4° |
| N77 | C78 | H154 | 111.1° | 110.4° |
| C76 | N77 | C71 | 119.1° | 125.6° |
| N77 | C76 | H153 | 109.7° | 110.0° |
| C79 | O74 | H150 | 109.5° | 114.1° |
| O74 | C79 | H156 | 111.8° | 110.9° |
| N77 | C71 | C69 | 119.4° | 120.0° |
| N77 | C71 | O70 | 121.5° | 120.0° |
| O12 | C1 | C18 | 106.7° | 109.5° |
| O12 | C1 | H80 | 110.1° | 109.5° |
| O12 | C1 | H81 | 110.1° | 109.5° |
| C69 | C71 | O70 | 119.1° | 120.0° |
| C71 | C69 | N68 | 106.8° | 109.5° |
| C71 | C69 | H149 | 107.5° | 109.5° |
| C69 | N68 | C63 | 124.3° | 120.0° |
| C69 | N68 | H148 | 117.8° | 120.0° |
| N68 | C69 | H149 | 108.4° | 109.4° |
| C30 | C31 | C32 | 122.0° | 120.3° |
| C30 | C31 | O47 | 123.8° | 119.9° |
| C31 | C30 | H99 | 121.0° | 120.1° |
| C31 | C32 | C41 | 120.2° | 119.8° |
| C32 | C31 | O47 | 114.2° | 119.9° |
| C32 | C41 | C42 | 112.6° | 109.5° |
| C32 | C41 | C46 | 113.2° | 109.5° |
| C32 | C41 | H110 | 107.1° | 109.5° |
| C41 | C42 | C43 | 110.1° | 109.2° |
| C42 | C41 | C46 | 109.5° | 109.2° |
| C42 | C41 | H110 | 107.0° | 109.6° |
| C41 | C42 | H111 | 109.3° | 109.6° |
| C41 | C42 | H112 | 109.3° | 109.5° |
| C42 | C43 | N44 | 109.3° | 109.5° |
| C43 | C42 | H111 | 109.3° | 109.5° |
| C43 | C42 | H112 | 109.3° | 109.4° |
| C42 | C43 | H113 | 109.5° | 109.4° |
| C42 | C43 | H114 | 109.5° | 109.5° |
| C1 | C18 | N44 | 109.6° | 109.5° |
| C18 | C1 | H80 | 110.1° | 109.5° |
| C18 | C1 | H81 | 110.2° | 109.5° |
| C1 | C18 | H94 | 109.4° | 109.5° |
| C1 | C18 | H95 | 109.4° | 109.5° |
| C31 | O47 | C50 | 122.1° | 117.0° |
| C41 | C46 | C45 | 110.0° | 109.3° |
| C46 | C41 | H110 | 107.0° | 109.5° |
| C41 | C46 | H118 | 109.3° | 109.5° |
| C41 | C46 | H119 | 109.3° | 109.5° |
| C46 | C45 | N44 | 109.0° | 109.5° |
| C46 | C45 | H117 | 109.6° | 109.5° |
| C46 | C45 | H116 | 109.6° | 109.4° |
| C45 | C46 | H118 | 109.4° | 109.5° |
| C45 | C46 | H119 | 109.3° | 109.5° |
| C43 | N44 | C45 | 110.3° | 111.2° |
| C43 | N44 | C18 | 111.6° | 111.0° |
| N44 | C43 | H113 | 109.5° | 109.4° |
| N44 | C43 | H114 | 109.5° | 109.4° |
| C45 | N44 | C18 | 113.0° | 111.0° |
| N44 | C45 | H117 | 109.6° | 109.5° |
| N44 | C45 | H116 | 109.6° | 109.5° |
| N44 | C18 | H94 | 109.4° | 109.5° |
| N44 | C18 | H95 | 109.5° | 109.5° |
| N68 | C63 | O61 | 123.0° | 120.0° |
| N68 | C63 | C62 | 119.7° | 120.0° |
| C63 | N68 | H148 | 117.9° | 120.0° |
| O47 | C50 | C51 | 106.2° | 109.5° |
| O47 | C50 | H120 | 110.3° | 109.4° |
| O47 | C50 | H121 | 110.3° | 109.5° |
| O61 | C63 | C62 | 117.3° | 120.0° |
| C63 | C62 | N60 | 115.3° | 115.6° |
| C63 | C62 | C59 | 116.4° | 117.5° |
| C63 | C62 | C58 | 116.1° | 117.5° |
| C50 | C51 | O55 | 109.0° | 110.4° |
| C50 | C51 | C52 | 113.5° | 110.4° |
| C51 | C50 | H120 | 110.2° | 109.5° |
| C51 | C50 | H121 | 110.3° | 109.5° |
| C50 | C51 | H122 | 109.4° | 110.4° |
| C56 | N60 | C62 | 114.6° | 111.0° |
| C56 | N60 | C57 | 110.8° | 111.0° |
| N60 | C56 | H129 | 109.5° | 109.4° |
| N60 | C56 | H130 | 109.5° | 109.5° |
| N60 | C56 | H131 | 109.4° | 109.5° |
| C62 | N60 | C57 | 115.1° | 111.0° |
| N60 | C62 | C59 | 116.6° | 117.5° |
| N60 | C62 | C58 | 121.5° | 117.5° |
| N60 | C57 | H134 | 109.5° | 109.4° |
| N60 | C57 | H132 | 109.5° | 109.4° |
| N60 | C57 | H133 | 109.4° | 109.5° |
| C51 | O55 | C54 | 110.0° | 105.3° |
| O55 | C51 | C52 | 105.3° | 104.8° |
| O55 | C51 | H122 | 110.4° | 110.5° |
| O55 | C54 | C53 | 106.4° | 104.8° |
| O55 | C54 | H128 | 110.2° | 110.4° |
| O55 | C54 | H127 | 110.3° | 110.4° |
| C59 | C62 | C58 | 59.3° | 60.0° |
| C62 | C59 | C58 | 60.3° | 60.0° |
| C62 | C59 | H138 | 119.9° | 117.4° |
| C62 | C59 | H137 | 119.9° | 117.5° |
| C62 | C58 | C59 | 60.3° | 60.0° |
| C62 | C58 | H136 | 119.9° | 117.5° |
| C62 | C58 | H135 | 119.9° | 117.5° |
| C51 | C52 | C53 | 104.4° | 104.1° |
| C52 | C51 | H122 | 109.2° | 110.3° |
| C51 | C52 | H123 | 110.8° | 110.5° |
| C51 | C52 | H124 | 110.7° | 110.5° |
| C54 | C53 | C52 | 102.1° | 104.0° |
| C54 | C53 | H126 | 111.3° | 110.5° |
| C54 | C53 | H125 | 111.3° | 110.7° |
| C53 | C54 | H128 | 110.3° | 110.4° |
| C53 | C54 | H127 | 110.2° | 110.3° |
| C59 | C58 | H136 | 120.0° | 117.5° |
| C59 | C58 | H135 | 119.9° | 117.5° |
| C58 | C59 | H138 | 119.9° | 117.5° |
| C58 | C59 | H137 | 120.0° | 117.5° |
| C53 | C52 | H123 | 110.7° | 110.5° |
| C53 | C52 | H124 | 110.7° | 110.5° |
| C52 | C53 | H126 | 111.3° | 110.5° |
| C52 | C53 | H125 | 111.3° | 110.5° |
| H91 | C17 | H92 | 109.5° | 109.4° |
| H91 | C17 | H93 | 109.5° | 109.4° |
| H92 | C17 | H93 | 109.4° | 109.5° |
| H80 | C1 | H81 | 109.5° | 109.4° |
| H88 | C11 | H89 | 109.5° | 109.5° |
| H94 | C18 | H95 | 109.5° | 109.5° |
| H103 | C37 | H102 | 109.4° | 110.4° |
| H104 | C38 | H105 | 109.5° | 110.8° |
| H106 | C39 | H107 | 109.5° | 110.6° |
| H108 | C40 | H109 | 109.4° | 110.0° |
| H111 | C42 | H112 | 109.5° | 109.6° |
| H113 | C43 | H114 | 109.5° | 109.5° |
| H117 | C45 | H116 | 109.5° | 109.5° |
| H118 | C46 | H119 | 109.5° | 109.6° |
| H120 | C50 | H121 | 109.5° | 109.4° |
| H123 | C52 | H124 | 109.4° | 110.5° |
| H126 | C53 | H125 | 109.5° | 110.4° |
| H128 | C54 | H127 | 109.5° | 110.4° |
| H129 | C56 | H130 | 109.5° | 109.5° |
| H129 | C56 | H131 | 109.5° | 109.4° |
| H130 | C56 | H131 | 109.5° | 109.5° |
| H134 | C57 | H132 | 109.4° | 109.5° |
| H134 | C57 | H133 | 109.5° | 109.6° |
| H132 | C57 | H133 | 109.5° | 109.5° |
| H136 | C58 | H135 | 109.5° | 115.6° |
| H138 | C59 | H137 | 109.5° | 115.6° |
| H140 | C64 | H141 | 109.5° | 109.5° |
| H140 | C64 | H139 | 109.5° | 109.5° |
| H141 | C64 | H139 | 109.5° | 109.5° |
| H144 | C65 | H142 | 109.5° | 109.5° |
| H144 | C65 | H143 | 109.4° | 109.4° |
| H142 | C65 | H143 | 109.5° | 109.5° |
| H146 | C66 | H147 | 109.4° | 109.5° |
| H146 | C66 | H145 | 109.5° | 109.5° |
| H147 | C66 | H145 | 109.5° | 109.5° |
| H151 | C75 | H152 | 109.5° | 110.8° |
| H155 | C78 | H154 | 109.4° | 110.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N15 | C14 | S13 | H90 | 180.0° | 179.7° |
| N15 | C14 | S13 | C8 | 0.1° | 0.0° |
| C14 | N15 | C16 | C17 | 179.8° | 180.0° |
| C14 | N15 | C16 | C8 | 0.4° | 0.5° |
| S13 | C14 | N15 | C16 | 0.2° | 0.3° |
| C14 | S13 | C8 | C16 | 0.3° | 0.3° |
| C14 | S13 | C8 | C5 | 179.3° | 180.0° |
| N15 | C16 | C8 | S13 | 0.5° | 0.5° |
| N15 | C16 | C17 | C8 | 179.7° | 179.4° |
| N15 | C16 | C8 | C5 | 179.3° | 179.8° |
| N15 | C16 | C17 | H91 | 0.0° | 95.3° |
| N15 | C16 | C17 | H92 | 120.0° | 144.7° |
| N15 | C16 | C17 | H93 | 120.0° | 24.7° |
| C16 | N15 | C14 | H90 | 179.8° | 180.0° |
| S13 | C8 | C16 | C17 | 179.8° | 179.9° |
| S13 | C8 | C16 | C5 | 178.8° | 179.7° |
| S13 | C8 | C5 | C6 | 132.4° | 48.8° |
| S13 | C8 | C5 | C4 | 50.8° | 131.2° |
| C8 | S13 | C14 | H90 | 179.9° | 179.7° |
| C17 | C16 | C8 | C5 | 1.0° | 0.3° |
| C16 | C17 | H91 | H92 | 120.0° | 120.0° |
| C16 | C17 | H91 | H93 | 120.0° | 120.1° |
| C16 | C17 | H92 | H93 | 120.0° | 120.1° |
| C16 | C8 | C5 | C6 | 48.9° | 131.5° |
| C16 | C8 | C5 | C4 | 128.0° | 48.4° |
| C8 | C16 | C17 | H91 | 179.7° | 85.3° |
| C8 | C16 | C17 | H92 | 59.7° | 34.7° |
| C8 | C16 | C17 | H93 | 60.2° | 154.7° |
| C8 | C5 | C6 | C4 | 176.9° | 180.0° |
| C8 | C5 | C6 | C7 | 178.1° | 180.0° |
| C8 | C5 | C4 | C3 | 177.7° | 180.0° |
| C8 | C5 | C4 | H83 | 2.3° | 0.2° |
| C8 | C5 | C6 | H84 | 2.0° | 0.0° |
| O48 | C25 | N26 | C24 | 179.6° | 179.9° |
| O48 | C25 | N26 | C27 | 180.0° | 180.0° |
| O48 | C25 | C24 | C19 | 0.1° | 0.1° |
| O48 | C25 | C24 | C23 | 179.7° | 179.6° |
| O48 | C25 | N26 | H1 | 0.0° | 0.0° |
| C37 | C38 | C39 | H104 | 119.2° | 118.3° |
| C37 | C38 | C39 | H105 | 119.2° | 118.4° |
| C38 | C37 | C36 | H103 | 119.2° | 118.7° |
| C38 | C37 | C36 | H102 | 119.2° | 118.8° |
| C38 | C37 | C36 | C40 | 26.1° | 23.6° |
| C38 | C37 | C36 | N35 | 152.4° | 95.7° |
| C37 | C38 | C39 | C40 | 35.5° | 38.0° |
| C38 | C37 | C36 | H101 | 88.1° | 143.0° |
| C38 | C37 | H103 | H102 | 122.5° | 122.6° |
| C37 | C38 | H104 | H105 | 122.4° | 123.4° |
| C37 | C38 | C39 | H106 | 155.0° | 80.7° |
| C37 | C38 | C39 | H107 | 83.9° | 156.6° |
| C39 | C38 | C37 | C36 | 38.2° | 38.0° |
| C38 | C39 | C40 | C36 | 18.8° | 23.6° |
| C38 | C39 | C40 | H106 | 119.5° | 118.6° |
| C38 | C39 | C40 | H107 | 119.4° | 118.6° |
| C39 | C38 | C37 | H103 | 81.0° | 80.8° |
| C39 | C38 | C37 | H102 | 157.3° | 156.7° |
| C39 | C38 | H104 | H105 | 122.4° | 123.3° |
| C38 | C39 | H106 | H107 | 121.6° | 122.6° |
| C38 | C39 | C40 | H108 | 138.2° | 95.7° |
| C38 | C39 | C40 | H109 | 100.6° | 142.9° |
| C5 | C6 | C7 | H84 | 180.0° | 180.0° |
| C5 | C6 | C7 | C2 | 0.9° | 0.0° |
| C6 | C5 | C4 | C3 | 0.8° | 0.1° |
| C6 | C5 | C4 | H83 | 179.2° | 179.7° |
| C5 | C6 | C7 | H85 | 179.1° | 180.0° |
| C7 | C6 | C5 | C4 | 1.1° | 0.0° |
| C6 | C7 | C2 | H85 | 180.0° | 180.0° |
| C6 | C7 | C2 | C3 | 3.2° | 0.0° |
| C6 | C7 | C2 | C9 | 176.8° | 180.0° |
| C5 | C4 | C3 | H83 | 180.0° | 179.8° |
| C5 | C4 | C3 | C2 | 1.6° | 0.0° |
| C4 | C5 | C6 | H84 | 178.9° | 180.0° |
| C5 | C4 | C3 | H82 | 178.4° | 179.8° |
| C37 | C36 | C40 | N35 | 126.2° | 119.3° |
| C37 | C36 | C40 | H101 | 114.2° | 119.3° |
| C37 | C36 | N35 | H101 | 119.2° | 121.4° |
| C37 | C36 | C40 | C39 | 4.7° | 0.0° |
| C37 | C36 | N35 | C27 | 112.4° | 145.6° |
| C37 | C36 | N35 | C34 | 63.5° | 34.6° |
| C36 | C37 | H103 | H102 | 122.5° | 122.6° |
| C36 | C37 | C38 | H104 | 81.0° | 156.2° |
| C36 | C37 | C38 | H105 | 157.3° | 80.4° |
| C37 | C36 | C40 | H108 | 114.7° | 119.3° |
| C37 | C36 | C40 | H109 | 124.2° | 119.3° |
| BR49 | C19 | C24 | C25 | 0.1° | 0.6° |
| BR49 | C19 | C24 | C20 | 179.9° | 179.4° |
| BR49 | C19 | C24 | C23 | 179.9° | 180.0° |
| BR49 | C19 | C20 | C21 | 179.9° | 179.4° |
| BR49 | C19 | C20 | H96 | 0.1° | 0.2° |
| C25 | N26 | C27 | H1 | 180.0° | 180.0° |
| C25 | N26 | C27 | N35 | 179.0° | 179.9° |
| C25 | N26 | C27 | N28 | 0.4° | 0.4° |
| N26 | C25 | C24 | C19 | 179.7° | 180.0° |
| N26 | C25 | C24 | C23 | 0.1° | 0.6° |
| C24 | C25 | N26 | C27 | 0.4° | 0.1° |
| C25 | C24 | C19 | C23 | 179.8° | 179.4° |
| C25 | C24 | C19 | C20 | 180.0° | 179.9° |
| C25 | C24 | C23 | N28 | 0.3° | 0.5° |
| C25 | C24 | C23 | C22 | 179.8° | 179.8° |
| C24 | C25 | N26 | H1 | 179.6° | 179.9° |
| N26 | C27 | N35 | C36 | 2.4° | 0.4° |
| N26 | C27 | N35 | N28 | 179.5° | 179.5° |
| N26 | C27 | N35 | C34 | 178.9° | 179.4° |
| N26 | C27 | N28 | C23 | 0.0° | 0.5° |
| N26 | C27 | N28 | C29 | 179.4° | 179.5° |
| C7 | C2 | C3 | C4 | 3.5° | 0.0° |
| C7 | C2 | C3 | C9 | 173.6° | 180.0° |
| C7 | C2 | C9 | C11 | 72.3° | 96.6° |
| C7 | C2 | C9 | N10 | 163.6° | 143.4° |
| C2 | C7 | C6 | H84 | 179.1° | 180.0° |
| C7 | C2 | C3 | H82 | 176.5° | 179.7° |
| C7 | C2 | C9 | H86 | 43.8° | 23.4° |
| C40 | C36 | N35 | H101 | 119.2° | 121.5° |
| C36 | C40 | C39 | H108 | 119.4° | 119.3° |
| C36 | C40 | C39 | H109 | 119.4° | 119.3° |
| C40 | C36 | N35 | C27 | 126.0° | 28.4° |
| C40 | C36 | N35 | C34 | 58.0° | 151.7° |
| C40 | C36 | C37 | H103 | 93.1° | 95.0° |
| C40 | C36 | C37 | H102 | 145.2° | 142.4° |
| C36 | C40 | C39 | H106 | 138.3° | 95.0° |
| C36 | C40 | C39 | H107 | 100.6° | 142.3° |
| C36 | C40 | H108 | H109 | 121.8° | 121.4° |
| N35 | C36 | C40 | C39 | 131.0° | 119.3° |
| C36 | N35 | C27 | C34 | 176.6° | 179.9° |
| C36 | N35 | C27 | N28 | 178.1° | 180.0° |
| C36 | N35 | C34 | C29 | 177.8° | 179.9° |
| C36 | N35 | C34 | C33 | 3.7° | 0.1° |
| N35 | C36 | C37 | H103 | 33.2° | 145.7° |
| N35 | C36 | C37 | H102 | 88.5° | 23.1° |
| N35 | C36 | C40 | H108 | 11.6° | 0.0° |
| N35 | C36 | C40 | H109 | 109.6° | 121.4° |
| C39 | C40 | C36 | H101 | 109.5° | 119.3° |
| C40 | C39 | C38 | H104 | 83.7° | 156.2° |
| C40 | C39 | C38 | H105 | 154.7° | 80.4° |
| C40 | C39 | H106 | H107 | 121.6° | 122.7° |
| C39 | C40 | H108 | H109 | 121.8° | 121.4° |
| C4 | C3 | C2 | H82 | 180.0° | 179.7° |
| C4 | C3 | C2 | C9 | 177.1° | 180.0° |
| N35 | C27 | N28 | C23 | 179.5° | 180.0° |
| N35 | C27 | N28 | C29 | 1.1° | 0.1° |
| C27 | N35 | C34 | C29 | 1.4° | 0.1° |
| C27 | N35 | C34 | C33 | 179.8° | 180.0° |
| N35 | C27 | N26 | H1 | 1.0° | 0.1° |
| C27 | N35 | C36 | H101 | 6.8° | 93.0° |
| C27 | N28 | C23 | C24 | 0.3° | 0.0° |
| N28 | C27 | N35 | C34 | 1.5° | 0.1° |
| C27 | N28 | C23 | C29 | 179.2° | 179.9° |
| C27 | N28 | C23 | C22 | 179.8° | 179.3° |
| C27 | N28 | C29 | C34 | 0.2° | 0.0° |
| C27 | N28 | C29 | C30 | 179.2° | 180.0° |
| N28 | C27 | N26 | H1 | 179.6° | 179.6° |
| C19 | C24 | C23 | N28 | 179.9° | 180.0° |
| C19 | C24 | C23 | C22 | 0.4° | 0.8° |
| C24 | C19 | C20 | C21 | 0.0° | 0.0° |
| C24 | C19 | C20 | H96 | 180.0° | 179.6° |
| C23 | C24 | C19 | C20 | 0.2° | 0.5° |
| C24 | C23 | N28 | C22 | 179.5° | 179.2° |
| C24 | C23 | N28 | C29 | 179.6° | 180.0° |
| C24 | C23 | C22 | C21 | 0.4° | 0.5° |
| C24 | C23 | C22 | H98 | 179.6° | 179.5° |
| C19 | C20 | C21 | H96 | 180.0° | 179.6° |
| C19 | C20 | C21 | C22 | 0.1° | 0.3° |
| C19 | C20 | C21 | H97 | 179.9° | 179.8° |
| C3 | C2 | C9 | C11 | 101.1° | 83.4° |
| C3 | C2 | C9 | N10 | 23.0° | 36.6° |
| C2 | C3 | C4 | H83 | 178.4° | 179.8° |
| C3 | C2 | C7 | H85 | 176.8° | 180.0° |
| C3 | C2 | C9 | H86 | 142.7° | 156.6° |
| C2 | C9 | C11 | N10 | 125.0° | 120.0° |
| C2 | C9 | C11 | H86 | 116.2° | 120.1° |
| C2 | C9 | N10 | H86 | 119.3° | 120.0° |
| C2 | C9 | N10 | C73 | 99.6° | 85.0° |
| C2 | C9 | C11 | O12 | 172.3° | 56.6° |
| C9 | C2 | C7 | H85 | 3.2° | 0.0° |
| C9 | C2 | C3 | H82 | 2.9° | 0.3° |
| C2 | C9 | N10 | H87 | 80.4° | 95.0° |
| C2 | C9 | C11 | H88 | 52.5° | 63.4° |
| C2 | C9 | C11 | H89 | 68.0° | 176.6° |
| N35 | C34 | C29 | N28 | 0.7° | 0.0° |
| N35 | C34 | C29 | C33 | 178.6° | 180.0° |
| N35 | C34 | C29 | C30 | 178.4° | 180.0° |
| N35 | C34 | C33 | C32 | 177.3° | 179.9° |
| N35 | C34 | C33 | H100 | 2.7° | 0.1° |
| C34 | N35 | C36 | H101 | 177.3° | 86.8° |
| O72 | C73 | N10 | C9 | 4.6° | 0.0° |
| O72 | C73 | N10 | C76 | 179.5° | 180.0° |
| O72 | C73 | C76 | C75 | 93.0° | 118.6° |
| O72 | C73 | C76 | N77 | 23.7° | 0.8° |
| O72 | C73 | N10 | H87 | 175.4° | 180.0° |
| O72 | C73 | C76 | H153 | 148.0° | 120.5° |
| C65 | C67 | C64 | C66 | 117.4° | 120.0° |
| C65 | C67 | C64 | C69 | 122.3° | 120.0° |
| C65 | C67 | C66 | C69 | 120.6° | 120.0° |
| C65 | C67 | C69 | C71 | 53.5° | 175.6° |
| C65 | C67 | C69 | N68 | 175.4° | 64.3° |
| C65 | C67 | C64 | H140 | 180.0° | 60.0° |
| C65 | C67 | C64 | H141 | 60.0° | 180.0° |
| C65 | C67 | C64 | H139 | 60.0° | 60.0° |
| C67 | C65 | H144 | H142 | 120.0° | 120.0° |
| C67 | C65 | H144 | H143 | 120.0° | 119.9° |
| C67 | C65 | H142 | H143 | 120.0° | 120.0° |
| C65 | C67 | C66 | H146 | 180.0° | 174.8° |
| C65 | C67 | C66 | H147 | 60.0° | 65.2° |
| C65 | C67 | C66 | H145 | 60.0° | 54.9° |
| C65 | C67 | C69 | H149 | 65.6° | 55.6° |
| C11 | C9 | N10 | H86 | 118.4° | 120.0° |
| C11 | C9 | N10 | C73 | 138.1° | 155.0° |
| C9 | C11 | O12 | H88 | 119.7° | 120.0° |
| C9 | C11 | O12 | H89 | 119.7° | 120.0° |
| C9 | C11 | O12 | C1 | 148.3° | 177.4° |
| C11 | C9 | N10 | H87 | 41.9° | 25.0° |
| C9 | C11 | H88 | H89 | 120.7° | 120.1° |
| C9 | N10 | C73 | H87 | 180.0° | 180.0° |
| C9 | N10 | C73 | C76 | 174.9° | 180.0° |
| N10 | C9 | C11 | O12 | 47.3° | 63.4° |
| N10 | C9 | C11 | H88 | 72.4° | 176.6° |
| N10 | C9 | C11 | H89 | 167.1° | 56.6° |
| C23 | N28 | C29 | C34 | 179.5° | 180.0° |
| C23 | N28 | C29 | C30 | 1.5° | 0.1° |
| N28 | C23 | C22 | C21 | 179.9° | 179.7° |
| N28 | C23 | C22 | H98 | 0.1° | 0.3° |
| C29 | N28 | C23 | C22 | 0.9° | 0.8° |
| N28 | C29 | C34 | C30 | 179.1° | 180.0° |
| N28 | C29 | C34 | C33 | 179.3° | 180.0° |
| N28 | C29 | C30 | C31 | 179.4° | 180.0° |
| N28 | C29 | C30 | H99 | 0.6° | 0.0° |
| C23 | C22 | C21 | C20 | 0.2° | 0.0° |
| C23 | C22 | C21 | H98 | 180.0° | 180.0° |
| C23 | C22 | C21 | H97 | 179.7° | 180.0° |
| C20 | C21 | C22 | H97 | 180.0° | 179.9° |
| C20 | C21 | C22 | H98 | 179.8° | 179.9° |
| C29 | C34 | C33 | C32 | 0.9° | 0.0° |
| C34 | C29 | C30 | C31 | 0.6° | 0.0° |
| C34 | C29 | C30 | H99 | 179.5° | 180.0° |
| C29 | C34 | C33 | H100 | 179.1° | 180.0° |
| C33 | C34 | C29 | C30 | 0.2° | 0.0° |
| C34 | C33 | C32 | H100 | 180.0° | 180.0° |
| C34 | C33 | C32 | C31 | 2.0° | 0.0° |
| C34 | C33 | C32 | C41 | 178.7° | 180.0° |
| N10 | C73 | C76 | C75 | 86.5° | 61.5° |
| N10 | C73 | C76 | N77 | 156.8° | 179.3° |
| C73 | N10 | C9 | H86 | 19.7° | 35.0° |
| N10 | C73 | C76 | H153 | 32.5° | 59.5° |
| C73 | C76 | C75 | N77 | 124.4° | 119.4° |
| C73 | C76 | C75 | H153 | 119.1° | 121.0° |
| C73 | C76 | C75 | C79 | 150.8° | 141.6° |
| C73 | C76 | N77 | C78 | 125.0° | 118.3° |
| C73 | C76 | N77 | H153 | 123.8° | 121.1° |
| C73 | C76 | N77 | C71 | 57.6° | 61.7° |
| C76 | C73 | N10 | H87 | 5.1° | 0.0° |
| C73 | C76 | C75 | H151 | 31.7° | 23.3° |
| C73 | C76 | C75 | H152 | 90.0° | 100.1° |
| C11 | O12 | C1 | C18 | 165.6° | 175.9° |
| C11 | O12 | C1 | H80 | 46.0° | 64.1° |
| C11 | O12 | C1 | H81 | 74.8° | 55.9° |
| O12 | C11 | C9 | H86 | 71.6° | 176.7° |
| O12 | C11 | H88 | H89 | 120.8° | 119.9° |
| C64 | C67 | C66 | C69 | 122.1° | 120.0° |
| C64 | C67 | C69 | C71 | 67.4° | 64.4° |
| C64 | C67 | C69 | N68 | 54.5° | 55.6° |
| C67 | C64 | H140 | H141 | 120.0° | 120.0° |
| C67 | C64 | H140 | H139 | 120.0° | 120.0° |
| C67 | C64 | H141 | H139 | 120.0° | 120.0° |
| C64 | C67 | C65 | H144 | 180.0° | 60.0° |
| C64 | C67 | C65 | H142 | 60.0° | 180.0° |
| C64 | C67 | C65 | H143 | 60.0° | 60.0° |
| C64 | C67 | C66 | H146 | 62.6° | 54.8° |
| C64 | C67 | C66 | H147 | 57.4° | 174.8° |
| C64 | C67 | C66 | H145 | 177.4° | 65.1° |
| C64 | C67 | C69 | H149 | 173.5° | 175.6° |
| C29 | C30 | C31 | H99 | 180.0° | 180.0° |
| C29 | C30 | C31 | C32 | 1.7° | 0.0° |
| C29 | C30 | C31 | O47 | 180.0° | 180.0° |
| C33 | C32 | C31 | C30 | 2.5° | 0.0° |
| C33 | C32 | C31 | C41 | 176.7° | 180.0° |
| C33 | C32 | C41 | C42 | 67.3° | 63.7° |
| C33 | C32 | C31 | O47 | 179.1° | 180.0° |
| C33 | C32 | C41 | C46 | 57.6° | 56.0° |
| C33 | C32 | C41 | H110 | 175.3° | 176.1° |
| C66 | C67 | C69 | C71 | 172.7° | 55.6° |
| C66 | C67 | C69 | N68 | 65.4° | 175.7° |
| C66 | C67 | C64 | H140 | 62.6° | 180.0° |
| C66 | C67 | C64 | H141 | 177.4° | 60.0° |
| C66 | C67 | C64 | H139 | 57.4° | 60.0° |
| C66 | C67 | C65 | H144 | 62.6° | 60.0° |
| C66 | C67 | C65 | H142 | 57.4° | 60.0° |
| C66 | C67 | C65 | H143 | 177.5° | 180.0° |
| C67 | C66 | H146 | H147 | 120.0° | 120.0° |
| C67 | C66 | H146 | H145 | 120.0° | 120.0° |
| C67 | C66 | H147 | H145 | 120.0° | 120.0° |
| C66 | C67 | C69 | H149 | 53.6° | 64.4° |
| C67 | C69 | C71 | N77 | 101.4° | 93.5° |
| C67 | C69 | C71 | N68 | 124.8° | 120.0° |
| C67 | C69 | C71 | H149 | 119.0° | 120.0° |
| C67 | C69 | C71 | O70 | 79.9° | 86.5° |
| C67 | C69 | N68 | H149 | 118.3° | 120.0° |
| C67 | C69 | N68 | C63 | 124.0° | 85.0° |
| C69 | C67 | C64 | H140 | 57.7° | 60.0° |
| C69 | C67 | C64 | H141 | 62.3° | 60.0° |
| C69 | C67 | C64 | H139 | 177.7° | 180.0° |
| C69 | C67 | C65 | H144 | 57.0° | 180.0° |
| C69 | C67 | C65 | H142 | 177.0° | 60.0° |
| C69 | C67 | C65 | H143 | 63.0° | 60.0° |
| C69 | C67 | C66 | H146 | 59.4° | 65.2° |
| C69 | C67 | C66 | H147 | 179.4° | 54.8° |
| C69 | C67 | C66 | H145 | 60.6° | 174.9° |
| C67 | C69 | N68 | H148 | 56.0° | 95.1° |
| C76 | C75 | C79 | H151 | 119.1° | 118.4° |
| C76 | C75 | C79 | H152 | 119.1° | 118.3° |
| C76 | C75 | C79 | C78 | 38.1° | 35.5° |
| C75 | C76 | N77 | C78 | 4.8° | 1.1° |
| C75 | C76 | N77 | H153 | 115.9° | 119.5° |
| C76 | C75 | C79 | O74 | 80.1° | 82.6° |
| C75 | C76 | N77 | C71 | 177.8° | 178.9° |
| C76 | C75 | H151 | H152 | 122.5° | 123.3° |
| C76 | C75 | C79 | H156 | 156.0° | 153.6° |
| C75 | C79 | C78 | O74 | 117.8° | 118.1° |
| C75 | C79 | C78 | H156 | 117.9° | 118.1° |
| C75 | C79 | C78 | N77 | 34.5° | 37.0° |
| C79 | C75 | C76 | N77 | 26.5° | 22.2° |
| C75 | C79 | O74 | H156 | 123.1° | 123.9° |
| C75 | C79 | O74 | H150 | 180.0° | 180.0° |
| C79 | C75 | H151 | H152 | 122.5° | 123.2° |
| C79 | C75 | C76 | H153 | 90.1° | 97.4° |
| C75 | C79 | C78 | H155 | 84.5° | 155.8° |
| C75 | C79 | C78 | H154 | 153.5° | 81.9° |
| C22 | C21 | C20 | H96 | 179.9° | 179.9° |
| C79 | C78 | N77 | H155 | 119.0° | 118.8° |
| C79 | C78 | N77 | H154 | 119.0° | 118.8° |
| C79 | C78 | N77 | C76 | 18.7° | 24.1° |
| C78 | C79 | O74 | H156 | 123.6° | 123.9° |
| C79 | C78 | N77 | C71 | 158.4° | 155.8° |
| C78 | C79 | O74 | H150 | 66.7° | 67.8° |
| C78 | C79 | C75 | H151 | 81.1° | 82.9° |
| C78 | C79 | C75 | H152 | 157.2° | 153.9° |
| C79 | C78 | H155 | H154 | 123.0° | 122.3° |
| C78 | N77 | C76 | C71 | 177.4° | 180.0° |
| N77 | C78 | C79 | O74 | 83.2° | 81.1° |
| C78 | N77 | C71 | C69 | 1.0° | 4.6° |
| C78 | N77 | C71 | O70 | 177.7° | 175.4° |
| C78 | N77 | C76 | H153 | 111.1° | 120.5° |
| N77 | C78 | H155 | H154 | 123.0° | 122.4° |
| N77 | C78 | C79 | H156 | 152.4° | 155.1° |
| C76 | N77 | C71 | C69 | 177.8° | 175.4° |
| C76 | N77 | C71 | O70 | 0.8° | 4.6° |
| N77 | C76 | C75 | H151 | 92.7° | 96.2° |
| N77 | C76 | C75 | H152 | 145.6° | 140.5° |
| C76 | N77 | C78 | H155 | 100.3° | 142.9° |
| C76 | N77 | C78 | H154 | 137.6° | 94.7° |
| O74 | C79 | C75 | H151 | 160.7° | 159.1° |
| O74 | C79 | C75 | H152 | 39.0° | 35.8° |
| O74 | C79 | C78 | H155 | 157.8° | 37.7° |
| O74 | C79 | C78 | H154 | 35.7° | 160.1° |
| N77 | C71 | C69 | O70 | 178.7° | 180.0° |
| N77 | C71 | C69 | N68 | 133.8° | 146.5° |
| N77 | C71 | C69 | H149 | 17.6° | 26.5° |
| C71 | N77 | C76 | H153 | 66.2° | 59.4° |
| C71 | N77 | C78 | H155 | 82.6° | 37.1° |
| C71 | N77 | C78 | H154 | 39.4° | 85.3° |
| O12 | C1 | C18 | H80 | 119.5° | 120.0° |
| O12 | C1 | C18 | H81 | 119.6° | 120.0° |
| O12 | C1 | C18 | N44 | 43.2° | 69.0° |
| O12 | C1 | H80 | H81 | 121.3° | 120.0° |
| C1 | O12 | C11 | H88 | 28.6° | 62.6° |
| C1 | O12 | C11 | H89 | 92.0° | 57.4° |
| O12 | C1 | C18 | H94 | 76.8° | 51.0° |
| O12 | C1 | C18 | H95 | 163.2° | 171.0° |
| C71 | C69 | N68 | H149 | 115.6° | 120.0° |
| C71 | C69 | N68 | C63 | 109.9° | 155.0° |
| C71 | C69 | N68 | H148 | 70.2° | 24.9° |
| O70 | C71 | C69 | N68 | 44.9° | 33.5° |
| O70 | C71 | C69 | H149 | 161.1° | 153.5° |
| C69 | N68 | C63 | H148 | 180.0° | 179.9° |
| C69 | N68 | C63 | O61 | 4.6° | 4.3° |
| C69 | N68 | C63 | C62 | 177.2° | 175.7° |
| C30 | C31 | C32 | O47 | 178.4° | 180.0° |
| C30 | C31 | C32 | C41 | 179.2° | 180.0° |
| C30 | C31 | O47 | C50 | 3.4° | 0.0° |
| C31 | C32 | C41 | C42 | 109.4° | 116.3° |
| C31 | C32 | C41 | C46 | 125.8° | 124.1° |
| C32 | C31 | O47 | C50 | 178.2° | 179.9° |
| C32 | C31 | C30 | H99 | 178.3° | 180.0° |
| C31 | C32 | C33 | H100 | 178.0° | 179.9° |
| C31 | C32 | C41 | H110 | 8.0° | 3.9° |
| C32 | C41 | C42 | C46 | 126.9° | 119.9° |
| C32 | C41 | C42 | H110 | 117.4° | 120.1° |
| C32 | C41 | C42 | C43 | 176.0° | 177.6° |
| C41 | C32 | C31 | O47 | 2.4° | 0.0° |
| C32 | C41 | C46 | H110 | 117.8° | 120.1° |
| C32 | C41 | C46 | C45 | 176.1° | 177.6° |
| C41 | C32 | C33 | H100 | 1.3° | 0.0° |
| C32 | C41 | C42 | H111 | 63.9° | 57.6° |
| C32 | C41 | C42 | H112 | 55.9° | 62.5° |
| C32 | C41 | C46 | H118 | 56.0° | 62.5° |
| C32 | C41 | C46 | H119 | 63.9° | 57.6° |
| C41 | C42 | C43 | H111 | 120.1° | 120.0° |
| C41 | C42 | C43 | H112 | 120.1° | 119.9° |
| C42 | C41 | C46 | H110 | 115.7° | 120.0° |
| C42 | C41 | C46 | C45 | 57.4° | 57.7° |
| C41 | C42 | C43 | N44 | 59.1° | 59.2° |
| C41 | C42 | H111 | H112 | 119.7° | 120.1° |
| C41 | C42 | C43 | H113 | 179.0° | 179.2° |
| C41 | C42 | C43 | H114 | 60.9° | 60.8° |
| C42 | C41 | C46 | H118 | 177.5° | 177.6° |
| C42 | C41 | C46 | H119 | 62.7° | 62.3° |
| C43 | C42 | C41 | C46 | 57.1° | 57.7° |
| C42 | C43 | N44 | H113 | 120.0° | 119.9° |
| C42 | C43 | N44 | H114 | 120.0° | 120.0° |
| C42 | C43 | N44 | C45 | 61.7° | 61.8° |
| C42 | C43 | N44 | C18 | 171.8° | 174.1° |
| C43 | C42 | C41 | H110 | 58.5° | 62.3° |
| C43 | C42 | H111 | H112 | 119.7° | 120.1° |
| C42 | C43 | H113 | H114 | 120.1° | 120.0° |
| C1 | C18 | N44 | C43 | 83.2° | 162.5° |
| C1 | C18 | N44 | C45 | 151.8° | 73.3° |
| C1 | C18 | N44 | H94 | 120.0° | 120.0° |
| C1 | C18 | N44 | H95 | 120.0° | 120.0° |
| C18 | C1 | H80 | H81 | 121.3° | 120.0° |
| C1 | C18 | H94 | H95 | 119.9° | 120.0° |
| C31 | O47 | C50 | C51 | 166.2° | 180.0° |
| O47 | C31 | C30 | H99 | 0.0° | 0.0° |
| C31 | O47 | C50 | H120 | 46.7° | 60.0° |
| C31 | O47 | C50 | H121 | 74.3° | 59.9° |
| C41 | C46 | C45 | H118 | 120.1° | 119.9° |
| C41 | C46 | C45 | H119 | 120.1° | 120.0° |
| C41 | C46 | C45 | N44 | 59.5° | 59.2° |
| C46 | C41 | C42 | H111 | 63.0° | 62.3° |
| C46 | C41 | C42 | H112 | 177.2° | 177.6° |
| C41 | C46 | C45 | H117 | 60.4° | 179.2° |
| C41 | C46 | C45 | H116 | 179.4° | 60.8° |
| C41 | C46 | H118 | H119 | 119.8° | 120.1° |
| C46 | C45 | N44 | C43 | 61.9° | 61.8° |
| C46 | C45 | N44 | H117 | 119.9° | 120.0° |
| C46 | C45 | N44 | H116 | 119.9° | 120.0° |
| C46 | C45 | N44 | C18 | 172.4° | 174.2° |
| C45 | C46 | C41 | H110 | 58.3° | 62.3° |
| C46 | C45 | H117 | H116 | 120.2° | 120.0° |
| C45 | C46 | H118 | H119 | 119.8° | 120.1° |
| C43 | N44 | C45 | C18 | 125.7° | 124.1° |
| C43 | N44 | C18 | H94 | 156.8° | 77.5° |
| C43 | N44 | C18 | H95 | 36.8° | 42.5° |
| N44 | C43 | C42 | H111 | 61.0° | 60.8° |
| N44 | C43 | C42 | H112 | 179.1° | 179.1° |
| N44 | C43 | H113 | H114 | 120.1° | 120.0° |
| C43 | N44 | C45 | H117 | 58.0° | 178.2° |
| C43 | N44 | C45 | H116 | 178.2° | 58.2° |
| C45 | N44 | C18 | H94 | 31.8° | 46.7° |
| C45 | N44 | C18 | H95 | 88.2° | 166.7° |
| C45 | N44 | C43 | H113 | 178.3° | 178.3° |
| C45 | N44 | C43 | H114 | 58.2° | 58.2° |
| N44 | C45 | H117 | H116 | 120.2° | 120.0° |
| N44 | C45 | C46 | H118 | 179.6° | 179.1° |
| N44 | C45 | C46 | H119 | 60.6° | 60.8° |
| N44 | C18 | C1 | H80 | 162.7° | 171.0° |
| N44 | C18 | C1 | H81 | 76.4° | 51.1° |
| N44 | C18 | H94 | H95 | 120.0° | 120.0° |
| C18 | N44 | C43 | H113 | 51.8° | 54.2° |
| C18 | N44 | C43 | H114 | 68.3° | 65.9° |
| C18 | N44 | C45 | H117 | 67.7° | 54.2° |
| C18 | N44 | C45 | H116 | 52.5° | 65.8° |
| N68 | C63 | O61 | C62 | 178.2° | 180.0° |
| N68 | C63 | C62 | N60 | 11.5° | 34.6° |
| N68 | C63 | C62 | C59 | 153.5° | 179.7° |
| N68 | C63 | C62 | C58 | 139.4° | 111.1° |
| C63 | N68 | C69 | H149 | 5.7° | 35.0° |
| O47 | C50 | C51 | H120 | 119.5° | 119.9° |
| O47 | C50 | C51 | H121 | 119.5° | 120.0° |
| O47 | C50 | C51 | O55 | 55.6° | 69.6° |
| O47 | C50 | C51 | C52 | 172.6° | 175.0° |
| O47 | C50 | H120 | H121 | 121.5° | 119.9° |
| O47 | C50 | C51 | H122 | 65.2° | 52.8° |
| O61 | C63 | C62 | N60 | 170.2° | 145.5° |
| O61 | C63 | C62 | C59 | 28.2° | 0.2° |
| O61 | C63 | C62 | C58 | 38.8° | 68.8° |
| O61 | C63 | N68 | H148 | 175.4° | 175.8° |
| C63 | C62 | N60 | C56 | 104.1° | 82.4° |
| C63 | C62 | N60 | C59 | 141.9° | 145.7° |
| C63 | C62 | N60 | C58 | 149.3° | 145.7° |
| C63 | C62 | N60 | C57 | 125.7° | 153.6° |
| C63 | C62 | C59 | C58 | 106.1° | 107.5° |
| C63 | C62 | C58 | H136 | 3.0° | 145.0° |
| C63 | C62 | C58 | H135 | 143.9° | 0.0° |
| C63 | C62 | C59 | H138 | 144.4° | 0.0° |
| C63 | C62 | C59 | H137 | 3.5° | 145.0° |
| C62 | C63 | N68 | H148 | 2.8° | 4.3° |
| C50 | C51 | O55 | C52 | 122.1° | 118.8° |
| C50 | C51 | O55 | H122 | 120.1° | 122.4° |
| C50 | C51 | O55 | C54 | 123.5° | 159.3° |
| C50 | C51 | C52 | H122 | 122.3° | 122.2° |
| C50 | C51 | C52 | C53 | 141.0° | 142.8° |
| C51 | C50 | H120 | H121 | 121.5° | 120.1° |
| C50 | C51 | C52 | H123 | 21.8° | 24.1° |
| C50 | C51 | C52 | H124 | 99.8° | 98.5° |
| C56 | N60 | C62 | C57 | 130.2° | 124.0° |
| C56 | N60 | C62 | C59 | 37.8° | 63.3° |
| C56 | N60 | C62 | C58 | 106.6° | 131.9° |
| N60 | C56 | H129 | H130 | 120.0° | 120.0° |
| N60 | C56 | H129 | H131 | 120.0° | 119.9° |
| N60 | C56 | H130 | H131 | 120.0° | 120.0° |
| C56 | N60 | C57 | H134 | 180.0° | 60.1° |
| C56 | N60 | C57 | H132 | 60.0° | 180.0° |
| C56 | N60 | C57 | H133 | 60.0° | 60.0° |
| N60 | C62 | C59 | C58 | 112.4° | 107.5° |
| C62 | N60 | C56 | H129 | 180.0° | 65.0° |
| C62 | N60 | C56 | H130 | 60.0° | 175.0° |
| C62 | N60 | C56 | H131 | 60.0° | 54.9° |
| C62 | N60 | C57 | H134 | 48.0° | 63.9° |
| C62 | N60 | C57 | H132 | 168.0° | 56.1° |
| C62 | N60 | C57 | H133 | 72.0° | 176.0° |
| N60 | C62 | C58 | H136 | 146.1° | 0.0° |
| N60 | C62 | C58 | H135 | 5.2° | 145.0° |
| N60 | C62 | C59 | H138 | 2.9° | 145.0° |
| N60 | C62 | C59 | H137 | 138.0° | 0.0° |
| C57 | N60 | C62 | C59 | 92.4° | 60.6° |
| C57 | N60 | C62 | C58 | 23.6° | 8.0° |
| C57 | N60 | C56 | H129 | 47.8° | 59.0° |
| C57 | N60 | C56 | H130 | 167.8° | 61.1° |
| C57 | N60 | C56 | H131 | 72.2° | 178.9° |
| N60 | C57 | H134 | H132 | 120.0° | 119.9° |
| N60 | C57 | H134 | H133 | 120.0° | 120.0° |
| N60 | C57 | H132 | H133 | 120.0° | 120.0° |
| O55 | C51 | C52 | H122 | 118.5° | 118.9° |
| C51 | O55 | C54 | C53 | 20.0° | 40.5° |
| O55 | C51 | C52 | C53 | 21.8° | 24.0° |
| O55 | C51 | C50 | H120 | 63.9° | 50.3° |
| O55 | C51 | C50 | H121 | 175.0° | 170.3° |
| O55 | C51 | C52 | H123 | 97.4° | 94.7° |
| O55 | C51 | C52 | H124 | 141.0° | 142.6° |
| C51 | O55 | C54 | H128 | 139.5° | 159.3° |
| C51 | O55 | C54 | H127 | 99.5° | 78.3° |
| C54 | O55 | C51 | C52 | 1.4° | 40.5° |
| O55 | C54 | C53 | H128 | 119.5° | 118.9° |
| O55 | C54 | C53 | H127 | 119.5° | 118.9° |
| O55 | C54 | C53 | C52 | 32.6° | 23.9° |
| C54 | O55 | C51 | H122 | 116.4° | 78.3° |
| O55 | C54 | C53 | H126 | 86.2° | 94.7° |
| O55 | C54 | C53 | H125 | 151.4° | 142.6° |
| O55 | C54 | H128 | H127 | 121.4° | 122.4° |
| C62 | C59 | C58 | H138 | 109.6° | 107.4° |
| C62 | C59 | C58 | H137 | 109.5° | 107.5° |
| C59 | C62 | C58 | H136 | 109.6° | 107.5° |
| C59 | C62 | C58 | H135 | 109.5° | 107.5° |
| C62 | C59 | H138 | H137 | 144.5° | 145.6° |
| C62 | C58 | H136 | H135 | 144.6° | 145.7° |
| C51 | C52 | C53 | C54 | 32.9° | 0.0° |
| C51 | C52 | C53 | H123 | 119.2° | 118.7° |
| C51 | C52 | C53 | H124 | 119.2° | 118.7° |
| C52 | C51 | C50 | H120 | 53.1° | 65.0° |
| C52 | C51 | C50 | H121 | 67.9° | 55.0° |
| C51 | C52 | H123 | H124 | 122.4° | 122.6° |
| C51 | C52 | C53 | H126 | 85.9° | 118.6° |
| C51 | C52 | C53 | H125 | 151.7° | 118.8° |
| C54 | C53 | C52 | H126 | 118.8° | 118.6° |
| C54 | C53 | C52 | H125 | 118.8° | 118.8° |
| C54 | C53 | C52 | H123 | 86.3° | 118.7° |
| C54 | C53 | C52 | H124 | 152.1° | 118.7° |
| C54 | C53 | H126 | H125 | 123.5° | 122.8° |
| C53 | C54 | H128 | H127 | 121.4° | 122.2° |
| C59 | C58 | H136 | H135 | 144.5° | 145.6° |
| C58 | C59 | H138 | H137 | 144.6° | 145.8° |
| C53 | C52 | C51 | H122 | 96.8° | 95.0° |
| C53 | C52 | H123 | H124 | 122.3° | 122.7° |
| C52 | C53 | H126 | H125 | 123.4° | 122.6° |
| C52 | C53 | C54 | H128 | 152.1° | 142.8° |
| C52 | C53 | C54 | H127 | 86.9° | 94.9° |
| H83 | C4 | C3 | H82 | 1.5° | 0.0° |
| H84 | C6 | C7 | H85 | 0.9° | 0.0° |
| H91 | C17 | H92 | H93 | 120.0° | 119.9° |
| H96 | C20 | C21 | H97 | 0.1° | 0.2° |
| H97 | C21 | C22 | H98 | 0.3° | 0.0° |
| H80 | C1 | C18 | H94 | 42.7° | 69.0° |
| H80 | C1 | C18 | H95 | 77.2° | 51.0° |
| H81 | C1 | C18 | H94 | 163.6° | 171.0° |
| H81 | C1 | C18 | H95 | 43.6° | 69.0° |
| H86 | C9 | N10 | H87 | 160.3° | 145.0° |
| H86 | C9 | C11 | H88 | 168.7° | 56.7° |
| H86 | C9 | C11 | H89 | 48.2° | 63.3° |
| H101 | C36 | C37 | H103 | 152.7° | 24.3° |
| H101 | C36 | C37 | H102 | 31.0° | 98.3° |
| H101 | C36 | C40 | H108 | 131.1° | 121.4° |
| H101 | C36 | C40 | H109 | 9.9° | 0.0° |
| H103 | C37 | C38 | H104 | 159.9° | 37.5° |
| H103 | C37 | C38 | H105 | 38.2° | 160.9° |
| H102 | C37 | C38 | H104 | 38.2° | 85.0° |
| H102 | C37 | C38 | H105 | 83.5° | 38.4° |
| H104 | C38 | C39 | H106 | 35.8° | 37.6° |
| H104 | C38 | C39 | H107 | 156.9° | 85.1° |
| H105 | C38 | C39 | H106 | 85.9° | 160.9° |
| H105 | C38 | C39 | H107 | 35.2° | 38.2° |
| H106 | C39 | C40 | H108 | 102.3° | 145.7° |
| H106 | C39 | C40 | H109 | 18.9° | 24.3° |
| H107 | C39 | C40 | H108 | 18.8° | 23.0° |
| H107 | C39 | C40 | H109 | 140.0° | 98.5° |
| H110 | C41 | C42 | H111 | 178.6° | 177.8° |
| H110 | C41 | C42 | H112 | 61.5° | 57.6° |
| H110 | C41 | C46 | H118 | 61.8° | 57.6° |
| H110 | C41 | C46 | H119 | 178.4° | 177.7° |
| H111 | C42 | C43 | H113 | 58.9° | 59.2° |
| H111 | C42 | C43 | H114 | 179.0° | 179.2° |
| H112 | C42 | C43 | H113 | 60.9° | 61.0° |
| H112 | C42 | C43 | H114 | 59.2° | 59.1° |
| H117 | C45 | C46 | H118 | 59.7° | 60.9° |
| H117 | C45 | C46 | H119 | 179.5° | 59.3° |
| H116 | C45 | C46 | H118 | 60.5° | 59.1° |
| H116 | C45 | C46 | H119 | 59.3° | 179.2° |
| H120 | C50 | C51 | H122 | 175.3° | 172.8° |
| H121 | C50 | C51 | H122 | 54.3° | 67.2° |
| H122 | C51 | C52 | H123 | 144.0° | 146.4° |
| H122 | C51 | C52 | H124 | 22.4° | 23.7° |
| H123 | C52 | C53 | H126 | 154.9° | 0.0° |
| H123 | C52 | C53 | H125 | 32.5° | 122.5° |
| H124 | C52 | C53 | H126 | 33.3° | 122.7° |
| H124 | C52 | C53 | H125 | 89.1° | 0.2° |
| H126 | C53 | C54 | H128 | 33.3° | 24.2° |
| H126 | C53 | C54 | H127 | 154.3° | 146.4° |
| H125 | C53 | C54 | H128 | 89.1° | 98.5° |
| H125 | C53 | C54 | H127 | 31.9° | 23.8° |
| H129 | C56 | H130 | H131 | 120.0° | 120.0° |
| H134 | C57 | H132 | H133 | 120.0° | 120.1° |
| H136 | C58 | C59 | H138 | 140.9° | 145.1° |
| H136 | C58 | C59 | H137 | 0.0° | 0.1° |
| H135 | C58 | C59 | H138 | 0.0° | 0.1° |
| H135 | C58 | C59 | H137 | 140.9° | 145.0° |
| H140 | C64 | H141 | H139 | 120.0° | 120.0° |
| H144 | C65 | H142 | H143 | 120.0° | 120.0° |
| H146 | C66 | H147 | H145 | 120.0° | 120.0° |
| H148 | N68 | C69 | H149 | 174.3° | 144.9° |
| H150 | O74 | C79 | H156 | 56.9° | 56.1° |
| H151 | C75 | C76 | H153 | 150.8° | 144.3° |
| H151 | C75 | C79 | H156 | 36.8° | 35.2° |
| H152 | C75 | C76 | H153 | 29.1° | 20.9° |
| H152 | C75 | C79 | H156 | 84.9° | 88.1° |
| H155 | C78 | C79 | H156 | 33.4° | 86.1° |
| H154 | C78 | C79 | H156 | 88.6° | 36.2° |
