TOO
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.53Å | 1.54Å | |
| N86 | C2 | sing | 1.47Å | 1.48Å | |
| N86 | C87 | sing | 1.47Å | 1.46Å | |
| C2 | C4 | sing | 1.51Å | 1.54Å | |
| C36 | C35 | doub | 1.38Å | 1.37Å | Aromatic |
| C36 | C37 | sing | 1.38Å | 1.38Å | Aromatic |
| C35 | C34 | sing | 1.38Å | 1.38Å | Aromatic |
| C4 | O5 | doub | 1.21Å | 1.24Å | |
| C4 | N6 | sing | 1.35Å | 1.34Å | |
| C37 | C32 | doub | 1.39Å | 1.39Å | Aromatic |
| N6 | C7 | sing | 1.47Å | 1.46Å | |
| C34 | C33 | doub | 1.39Å | 1.39Å | Aromatic |
| O16 | C15 | doub | 1.21Å | 1.22Å | |
| C32 | C33 | sing | 1.38Å | 1.40Å | Aromatic |
| C32 | C31 | sing | 1.51Å | 1.51Å | |
| C15 | N17 | sing | 1.35Å | 1.35Å | |
| C15 | C7 | sing | 1.51Å | 1.53Å | |
| C33 | C27 | sing | 1.51Å | 1.52Å | |
| C22 | N17 | sing | 1.47Å | 1.48Å | |
| C22 | C21 | sing | 1.55Å | 1.55Å | |
| C22 | C24 | sing | 1.51Å | 1.53Å | |
| N17 | C18 | sing | 1.47Å | 1.47Å | |
| N26 | C24 | sing | 1.35Å | 1.33Å | |
| N26 | C27 | sing | 1.46Å | 1.46Å | |
| C7 | C9 | sing | 1.53Å | 1.58Å | |
| C31 | C30 | sing | 1.53Å | 1.50Å | |
| C18 | C19 | sing | 1.54Å | 1.52Å | |
| C21 | C19 | sing | 1.55Å | 1.53Å | |
| C24 | O25 | doub | 1.21Å | 1.23Å | |
| C27 | C29 | sing | 1.53Å | 1.53Å | |
| C19 | N38 | sing | 1.47Å | 1.47Å | |
| C29 | C30 | sing | 1.53Å | 1.52Å | |
| C9 | C10 | sing | 1.53Å | 1.53Å | |
| C9 | C14 | sing | 1.53Å | 1.54Å | |
| C10 | C11 | sing | 1.53Å | 1.53Å | |
| N38 | C39 | sing | 1.35Å | 1.34Å | |
| C14 | C13 | sing | 1.53Å | 1.53Å | |
| C39 | O40 | doub | 1.21Å | 1.24Å | |
| C39 | C41 | sing | 1.51Å | 1.51Å | |
| C11 | C12 | sing | 1.53Å | 1.53Å | |
| O42 | C41 | sing | 1.43Å | 1.41Å | |
| O42 | C43 | sing | 1.43Å | 1.42Å | |
| C13 | C12 | sing | 1.53Å | 1.52Å | |
| C43 | C44 | sing | 1.53Å | 1.51Å | |
| C44 | N45 | sing | 1.47Å | 1.46Å | |
| C50 | N45 | sing | 1.47Å | 1.45Å | |
| C50 | C49 | sing | 1.53Å | 1.51Å | |
| N45 | C46 | sing | 1.47Å | 1.46Å | |
| C49 | N48 | sing | 1.47Å | 1.48Å | |
| C46 | C47 | sing | 1.53Å | 1.52Å | |
| N48 | C47 | sing | 1.47Å | 1.47Å | |
| N48 | C51 | sing | 1.47Å | 1.47Å | |
| C58 | C57 | sing | 1.53Å | 1.51Å | |
| C58 | C59 | sing | 1.53Å | 1.52Å | |
| C57 | N56 | sing | 1.47Å | 1.47Å | |
| C51 | C52 | sing | 1.53Å | 1.51Å | |
| C59 | C60 | sing | 1.53Å | 1.53Å | |
| C53 | C52 | sing | 1.53Å | 1.52Å | |
| C53 | C54 | sing | 1.51Å | 1.51Å | |
| N56 | C54 | sing | 1.35Å | 1.35Å | |
| N56 | C62 | sing | 1.47Å | 1.46Å | |
| C54 | O55 | doub | 1.21Å | 1.22Å | |
| C60 | C62 | sing | 1.54Å | 1.52Å | |
| C60 | N63 | sing | 1.46Å | 1.47Å | |
| N67 | N63 | sing | 1.40Å | 1.37Å | Aromatic |
| N67 | C66 | doub | 1.31Å | 1.33Å | Aromatic |
| N63 | C64 | sing | 1.36Å | 1.36Å | Aromatic |
| C66 | C68 | sing | 1.48Å | 1.49Å | |
| C66 | C65 | sing | 1.46Å | 1.43Å | Aromatic |
| C64 | N84 | doub | 1.33Å | 1.34Å | Aromatic |
| C64 | C65 | sing | 1.41Å | 1.40Å | Aromatic |
| C68 | C73 | doub | 1.39Å | 1.39Å | Aromatic |
| C68 | C69 | sing | 1.39Å | 1.39Å | Aromatic |
| C73 | C72 | sing | 1.38Å | 1.38Å | Aromatic |
| C69 | C70 | doub | 1.38Å | 1.38Å | Aromatic |
| C72 | C71 | doub | 1.39Å | 1.39Å | Aromatic |
| C70 | C71 | sing | 1.39Å | 1.39Å | Aromatic |
| C71 | O74 | sing | 1.36Å | 1.40Å | |
| N84 | C83 | sing | 1.31Å | 1.34Å | Aromatic |
| O74 | C75 | sing | 1.36Å | 1.40Å | |
| C65 | C81 | doub | 1.40Å | 1.42Å | Aromatic |
| C80 | C75 | doub | 1.39Å | 1.39Å | Aromatic |
| C80 | C79 | sing | 1.38Å | 1.39Å | Aromatic |
| C75 | C76 | sing | 1.39Å | 1.39Å | Aromatic |
| C83 | N82 | doub | 1.32Å | 1.34Å | Aromatic |
| C79 | C78 | doub | 1.38Å | 1.38Å | Aromatic |
| C81 | N82 | sing | 1.33Å | 1.35Å | Aromatic |
| C81 | N85 | sing | 1.38Å | 1.34Å | |
| C76 | C77 | doub | 1.38Å | 1.39Å | Aromatic |
| C78 | C77 | sing | 1.38Å | 1.38Å | Aromatic |
| C47 | H127 | sing | 1.09Å | 1.10Å | |
| C47 | H128 | sing | 1.09Å | 1.10Å | |
| C43 | H122 | sing | 1.09Å | 1.10Å | |
| C43 | H121 | sing | 1.09Å | 1.10Å | |
| C36 | H116 | sing | 1.08Å | 1.08Å | |
| C35 | H115 | sing | 1.08Å | 1.08Å | |
| C37 | H117 | sing | 1.08Å | 1.08Å | |
| C34 | H114 | sing | 1.08Å | 1.08Å | |
| C7 | H8 | sing | 1.09Å | 1.10Å | |
| C9 | H92 | sing | 1.09Å | 1.10Å | |
| C13 | H99 | sing | 1.09Å | 1.10Å | |
| C13 | H100 | sing | 1.09Å | 1.10Å | |
| C21 | H105 | sing | 1.09Å | 1.10Å | |
| C21 | H106 | sing | 1.09Å | 1.10Å | |
| C18 | H103 | sing | 1.09Å | 1.10Å | |
| C18 | H104 | sing | 1.09Å | 1.10Å | |
| C19 | H20 | sing | 1.09Å | 1.10Å | |
| C1 | H90 | sing | 1.09Å | 1.10Å | |
| C1 | H89 | sing | 1.09Å | 1.10Å | |
| C1 | H88 | sing | 1.09Å | 1.10Å | |
| C2 | H3 | sing | 1.09Å | 1.10Å | |
| N6 | H91 | sing | 0.97Å | 1.00Å | |
| C10 | H94 | sing | 1.09Å | 1.10Å | |
| C10 | H93 | sing | 1.09Å | 1.10Å | |
| C11 | H95 | sing | 1.09Å | 1.10Å | |
| C11 | H96 | sing | 1.09Å | 1.10Å | |
| C12 | H97 | sing | 1.09Å | 1.10Å | |
| C12 | H98 | sing | 1.09Å | 1.10Å | |
| C14 | H102 | sing | 1.09Å | 1.10Å | |
| C14 | H101 | sing | 1.09Å | 1.10Å | |
| C22 | H23 | sing | 1.09Å | 1.10Å | |
| N26 | H107 | sing | 0.97Å | 1.00Å | |
| C27 | H28 | sing | 1.09Å | 1.10Å | |
| C29 | H109 | sing | 1.09Å | 1.10Å | |
| C29 | H108 | sing | 1.09Å | 1.10Å | |
| C30 | H111 | sing | 1.09Å | 1.10Å | |
| C30 | H110 | sing | 1.09Å | 1.10Å | |
| C31 | H113 | sing | 1.09Å | 1.10Å | |
| C31 | H112 | sing | 1.09Å | 1.10Å | |
| N38 | H118 | sing | 0.97Å | 1.00Å | |
| C41 | H120 | sing | 1.09Å | 1.10Å | |
| C41 | H119 | sing | 1.09Å | 1.10Å | |
| C44 | H123 | sing | 1.09Å | 1.10Å | |
| C44 | H124 | sing | 1.09Å | 1.10Å | |
| C46 | H126 | sing | 1.09Å | 1.10Å | |
| C46 | H125 | sing | 1.09Å | 1.10Å | |
| C49 | H129 | sing | 1.09Å | 1.10Å | |
| C49 | H130 | sing | 1.09Å | 1.10Å | |
| C50 | H131 | sing | 1.09Å | 1.10Å | |
| C50 | H132 | sing | 1.09Å | 1.10Å | |
| C51 | H133 | sing | 1.09Å | 1.10Å | |
| C51 | H134 | sing | 1.09Å | 1.10Å | |
| C52 | H135 | sing | 1.09Å | 1.10Å | |
| C52 | H136 | sing | 1.09Å | 1.10Å | |
| C53 | H138 | sing | 1.09Å | 1.10Å | |
| C53 | H137 | sing | 1.09Å | 1.10Å | |
| C57 | H140 | sing | 1.09Å | 1.10Å | |
| C57 | H139 | sing | 1.09Å | 1.10Å | |
| C58 | H142 | sing | 1.09Å | 1.10Å | |
| C58 | H141 | sing | 1.09Å | 1.10Å | |
| C59 | H143 | sing | 1.09Å | 1.10Å | |
| C59 | H144 | sing | 1.09Å | 1.10Å | |
| C60 | H61 | sing | 1.09Å | 1.10Å | |
| C62 | H145 | sing | 1.09Å | 1.10Å | |
| C62 | H146 | sing | 1.09Å | 1.10Å | |
| C69 | H147 | sing | 1.08Å | 1.08Å | |
| C70 | H148 | sing | 1.08Å | 1.08Å | |
| C72 | H149 | sing | 1.08Å | 1.08Å | |
| C73 | H150 | sing | 1.08Å | 1.08Å | |
| C76 | H151 | sing | 1.08Å | 1.08Å | |
| C77 | H152 | sing | 1.08Å | 1.08Å | |
| C78 | H153 | sing | 1.08Å | 1.08Å | |
| C79 | H154 | sing | 1.08Å | 1.08Å | |
| C80 | H155 | sing | 1.08Å | 1.08Å | |
| C83 | H156 | sing | 1.08Å | 1.08Å | |
| N85 | H157 | sing | 0.97Å | 1.00Å | |
| N85 | H158 | sing | 0.97Å | 1.00Å | |
| N86 | H159 | sing | 1.01Å | 1.00Å | |
| C87 | H160 | sing | 1.09Å | 1.10Å | |
| C87 | H161 | sing | 1.09Å | 1.10Å | |
| C87 | H162 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | C2 | N86 | 114.7° | 109.4° |
| C1 | C2 | C4 | 117.8° | 109.5° |
| C2 | C1 | H90 | 109.5° | 109.5° |
| C2 | C1 | H89 | 109.4° | 109.5° |
| C2 | C1 | H88 | 109.5° | 109.5° |
| C1 | C2 | H3 | 102.8° | 109.5° |
| C2 | N86 | C87 | 113.9° | 111.0° |
| N86 | C2 | C4 | 112.8° | 109.5° |
| N86 | C2 | H3 | 103.4° | 109.5° |
| C2 | N86 | H159 | 108.4° | 110.9° |
| C87 | N86 | H159 | 108.3° | 111.0° |
| N86 | C87 | H160 | 109.5° | 109.5° |
| N86 | C87 | H161 | 109.5° | 109.5° |
| N86 | C87 | H162 | 109.5° | 109.5° |
| C2 | C4 | O5 | 121.0° | 120.0° |
| C2 | C4 | N6 | 116.6° | 120.0° |
| C4 | C2 | H3 | 102.8° | 109.5° |
| C35 | C36 | C37 | 119.9° | 119.8° |
| C36 | C35 | C34 | 119.9° | 119.7° |
| C35 | C36 | H116 | 120.1° | 120.1° |
| C36 | C35 | H115 | 120.1° | 120.1° |
| C36 | C37 | C32 | 121.2° | 120.5° |
| C37 | C36 | H116 | 120.0° | 120.1° |
| C36 | C37 | H117 | 119.4° | 119.7° |
| C35 | C34 | C33 | 121.1° | 120.5° |
| C34 | C35 | H115 | 120.1° | 120.1° |
| C35 | C34 | H114 | 119.4° | 119.7° |
| O5 | C4 | N6 | 121.6° | 120.0° |
| C4 | N6 | C7 | 122.6° | 120.0° |
| C4 | N6 | H91 | 118.7° | 120.0° |
| C37 | C32 | C33 | 118.8° | 119.7° |
| C37 | C32 | C31 | 119.8° | 117.8° |
| C32 | C37 | H117 | 119.4° | 119.7° |
| N6 | C7 | C15 | 108.2° | 109.5° |
| N6 | C7 | C9 | 115.7° | 109.5° |
| N6 | C7 | H8 | 106.4° | 109.5° |
| C7 | N6 | H91 | 118.7° | 120.0° |
| C34 | C33 | C32 | 119.0° | 119.7° |
| C34 | C33 | C27 | 119.6° | 117.7° |
| C33 | C34 | H114 | 119.4° | 119.8° |
| O16 | C15 | N17 | 121.5° | 120.0° |
| O16 | C15 | C7 | 120.0° | 120.0° |
| C33 | C32 | C31 | 121.3° | 122.5° |
| C32 | C33 | C27 | 121.4° | 122.6° |
| C32 | C31 | C30 | 114.4° | 110.6° |
| C32 | C31 | H113 | 108.2° | 109.3° |
| C32 | C31 | H112 | 108.2° | 109.2° |
| N17 | C15 | C7 | 118.5° | 120.0° |
| C15 | N17 | C22 | 121.4° | 125.6° |
| C15 | N17 | C18 | 125.1° | 125.7° |
| C15 | C7 | C9 | 114.9° | 109.5° |
| C15 | C7 | H8 | 105.6° | 109.5° |
| C33 | C27 | N26 | 110.5° | 109.3° |
| C33 | C27 | C29 | 112.8° | 110.6° |
| C33 | C27 | H28 | 108.7° | 109.2° |
| N17 | C22 | C21 | 104.2° | 104.8° |
| N17 | C22 | C24 | 111.3° | 110.4° |
| C22 | N17 | C18 | 113.5° | 108.7° |
| N17 | C22 | H23 | 111.8° | 110.4° |
| C21 | C22 | C24 | 107.7° | 110.4° |
| C22 | C21 | C19 | 107.8° | 101.5° |
| C22 | C21 | H105 | 109.9° | 111.0° |
| C22 | C21 | H106 | 109.9° | 111.0° |
| C21 | C22 | H23 | 110.7° | 110.4° |
| C22 | C24 | N26 | 116.7° | 120.0° |
| C22 | C24 | O25 | 120.5° | 120.0° |
| C24 | C22 | H23 | 110.9° | 110.4° |
| N17 | C18 | C19 | 105.0° | 107.3° |
| N17 | C18 | H103 | 110.5° | 109.9° |
| N17 | C18 | H104 | 110.5° | 110.0° |
| C24 | N26 | C27 | 122.3° | 120.0° |
| N26 | C24 | O25 | 122.8° | 120.0° |
| C24 | N26 | H107 | 118.8° | 120.0° |
| N26 | C27 | C29 | 106.7° | 109.3° |
| C27 | N26 | H107 | 118.8° | 120.0° |
| N26 | C27 | H28 | 109.5° | 109.3° |
| C7 | C9 | C10 | 113.2° | 109.5° |
| C7 | C9 | C14 | 113.7° | 109.5° |
| C9 | C7 | H8 | 105.2° | 109.5° |
| C7 | C9 | H92 | 106.6° | 109.5° |
| C31 | C30 | C29 | 110.2° | 108.4° |
| C31 | C30 | H111 | 109.3° | 109.6° |
| C31 | C30 | H110 | 109.3° | 109.7° |
| C30 | C31 | H113 | 108.2° | 109.2° |
| C30 | C31 | H112 | 108.2° | 109.2° |
| C18 | C19 | C21 | 107.1° | 103.0° |
| C18 | C19 | N38 | 114.9° | 110.8° |
| C19 | C18 | H103 | 110.6° | 109.9° |
| C19 | C18 | H104 | 110.6° | 109.8° |
| C18 | C19 | H20 | 100.9° | 110.7° |
| C21 | C19 | N38 | 127.1° | 110.7° |
| C19 | C21 | H105 | 109.9° | 111.0° |
| C19 | C21 | H106 | 109.9° | 111.0° |
| C21 | C19 | H20 | 100.8° | 110.7° |
| C27 | C29 | C30 | 111.1° | 108.4° |
| C29 | C27 | H28 | 108.6° | 109.2° |
| C27 | C29 | H109 | 109.1° | 109.7° |
| C27 | C29 | H108 | 109.0° | 109.7° |
| C19 | N38 | C39 | 124.6° | 120.0° |
| N38 | C19 | H20 | 101.3° | 110.8° |
| C19 | N38 | H118 | 117.7° | 120.0° |
| C30 | C29 | H109 | 109.1° | 109.6° |
| C30 | C29 | H108 | 109.1° | 109.7° |
| C29 | C30 | H111 | 109.3° | 109.7° |
| C29 | C30 | H110 | 109.3° | 109.7° |
| C10 | C9 | C14 | 108.6° | 109.5° |
| C9 | C10 | C11 | 112.0° | 109.5° |
| C10 | C9 | H92 | 107.2° | 109.5° |
| C9 | C10 | H94 | 108.8° | 109.5° |
| C9 | C10 | H93 | 108.9° | 109.5° |
| C9 | C14 | C13 | 111.9° | 109.5° |
| C14 | C9 | H92 | 107.1° | 109.4° |
| C9 | C14 | H102 | 108.9° | 109.5° |
| C9 | C14 | H101 | 108.8° | 109.5° |
| C10 | C11 | C12 | 112.0° | 109.4° |
| C11 | C10 | H94 | 108.8° | 109.4° |
| C11 | C10 | H93 | 108.9° | 109.5° |
| C10 | C11 | H95 | 108.8° | 109.5° |
| C10 | C11 | H96 | 108.8° | 109.5° |
| N38 | C39 | O40 | 123.5° | 120.0° |
| N38 | C39 | C41 | 115.7° | 120.0° |
| C39 | N38 | H118 | 117.7° | 120.0° |
| C14 | C13 | C12 | 111.6° | 109.5° |
| C14 | C13 | H99 | 108.9° | 109.5° |
| C14 | C13 | H100 | 109.0° | 109.5° |
| C13 | C14 | H102 | 108.9° | 109.5° |
| C13 | C14 | H101 | 108.9° | 109.5° |
| O40 | C39 | C41 | 120.8° | 120.0° |
| C39 | C41 | O42 | 110.9° | 109.5° |
| C39 | C41 | H120 | 109.1° | 109.5° |
| C39 | C41 | H119 | 109.1° | 109.5° |
| C11 | C12 | C13 | 111.0° | 109.5° |
| C12 | C11 | H95 | 108.8° | 109.5° |
| C12 | C11 | H96 | 108.9° | 109.5° |
| C11 | C12 | H97 | 109.1° | 109.5° |
| C11 | C12 | H98 | 109.1° | 109.5° |
| C41 | O42 | C43 | 114.2° | 114.0° |
| O42 | C41 | H120 | 109.1° | 109.5° |
| O42 | C41 | H119 | 109.1° | 109.4° |
| O42 | C43 | C44 | 110.9° | 109.5° |
| O42 | C43 | H122 | 109.1° | 109.5° |
| O42 | C43 | H121 | 109.1° | 109.5° |
| C12 | C13 | H99 | 108.9° | 109.4° |
| C12 | C13 | H100 | 108.9° | 109.5° |
| C13 | C12 | H97 | 109.1° | 109.4° |
| C13 | C12 | H98 | 109.1° | 109.4° |
| C43 | C44 | N45 | 108.8° | 109.5° |
| C44 | C43 | H122 | 109.1° | 109.5° |
| C44 | C43 | H121 | 109.1° | 109.5° |
| C43 | C44 | H123 | 109.6° | 109.5° |
| C43 | C44 | H124 | 109.7° | 109.5° |
| C44 | N45 | C50 | 114.7° | 111.0° |
| C44 | N45 | C46 | 115.0° | 111.0° |
| N45 | C44 | H123 | 109.6° | 109.5° |
| N45 | C44 | H124 | 109.6° | 109.5° |
| N45 | C50 | C49 | 109.4° | 109.4° |
| C50 | N45 | C46 | 108.6° | 110.8° |
| N45 | C50 | H131 | 109.5° | 109.5° |
| N45 | C50 | H132 | 109.5° | 109.5° |
| C50 | C49 | N48 | 111.1° | 109.4° |
| C50 | C49 | H129 | 109.1° | 109.5° |
| C50 | C49 | H130 | 109.1° | 109.5° |
| C49 | C50 | H131 | 109.5° | 109.5° |
| C49 | C50 | H132 | 109.5° | 109.5° |
| N45 | C46 | C47 | 109.6° | 109.3° |
| N45 | C46 | H126 | 109.4° | 109.4° |
| N45 | C46 | H125 | 109.5° | 109.5° |
| C49 | N48 | C47 | 110.8° | 110.8° |
| C49 | N48 | C51 | 109.0° | 111.0° |
| N48 | C49 | H129 | 109.1° | 109.5° |
| N48 | C49 | H130 | 109.1° | 109.5° |
| C46 | C47 | N48 | 110.7° | 109.4° |
| C46 | C47 | H127 | 109.2° | 109.5° |
| C46 | C47 | H128 | 109.2° | 109.5° |
| C47 | C46 | H126 | 109.4° | 109.5° |
| C47 | C46 | H125 | 109.4° | 109.5° |
| C47 | N48 | C51 | 111.2° | 111.0° |
| N48 | C47 | H127 | 109.1° | 109.4° |
| N48 | C47 | H128 | 109.2° | 109.5° |
| N48 | C51 | C52 | 114.8° | 109.5° |
| N48 | C51 | H133 | 108.1° | 109.5° |
| N48 | C51 | H134 | 108.1° | 109.5° |
| C57 | C58 | C59 | 110.8° | 109.3° |
| C58 | C57 | N56 | 109.7° | 108.8° |
| C58 | C57 | H140 | 109.4° | 109.6° |
| C58 | C57 | H139 | 109.4° | 109.7° |
| C57 | C58 | H142 | 109.1° | 109.5° |
| C57 | C58 | H141 | 109.1° | 109.5° |
| C58 | C59 | C60 | 112.0° | 109.5° |
| C59 | C58 | H142 | 109.1° | 109.5° |
| C59 | C58 | H141 | 109.1° | 109.5° |
| C58 | C59 | H143 | 108.8° | 109.5° |
| C58 | C59 | H144 | 108.8° | 109.4° |
| C57 | N56 | C54 | 130.1° | 120.6° |
| C57 | N56 | C62 | 110.9° | 118.8° |
| N56 | C57 | H140 | 109.4° | 109.6° |
| N56 | C57 | H139 | 109.4° | 109.6° |
| C51 | C52 | C53 | 114.9° | 109.5° |
| C52 | C51 | H133 | 108.1° | 109.5° |
| C52 | C51 | H134 | 108.1° | 109.5° |
| C51 | C52 | H135 | 108.1° | 109.4° |
| C51 | C52 | H136 | 108.1° | 109.5° |
| C59 | C60 | C62 | 111.5° | 109.2° |
| C59 | C60 | N63 | 112.1° | 109.5° |
| C60 | C59 | H143 | 108.8° | 109.5° |
| C60 | C59 | H144 | 108.8° | 109.5° |
| C59 | C60 | H61 | 107.9° | 109.5° |
| C52 | C53 | C54 | 112.0° | 109.4° |
| C53 | C52 | H135 | 108.1° | 109.5° |
| C53 | C52 | H136 | 108.1° | 109.5° |
| C52 | C53 | H138 | 108.8° | 109.5° |
| C52 | C53 | H137 | 108.8° | 109.5° |
| C53 | C54 | N56 | 118.5° | 120.0° |
| C53 | C54 | O55 | 119.7° | 120.0° |
| C54 | C53 | H138 | 108.8° | 109.5° |
| C54 | C53 | H137 | 108.8° | 109.5° |
| C54 | N56 | C62 | 118.9° | 120.6° |
| N56 | C54 | O55 | 121.8° | 120.0° |
| N56 | C62 | C60 | 109.6° | 108.5° |
| N56 | C62 | H145 | 109.4° | 109.6° |
| N56 | C62 | H146 | 109.4° | 109.6° |
| C62 | C60 | N63 | 108.5° | 109.4° |
| C62 | C60 | H61 | 108.0° | 109.7° |
| C60 | C62 | H145 | 109.5° | 109.8° |
| C60 | C62 | H146 | 109.4° | 109.6° |
| C60 | N63 | N67 | 119.4° | 125.3° |
| C60 | N63 | C64 | 129.2° | 125.2° |
| N63 | C60 | H61 | 108.7° | 109.6° |
| N63 | N67 | C66 | 106.9° | 109.9° |
| N67 | N63 | C64 | 111.0° | 109.5° |
| N67 | C66 | C68 | 118.3° | 126.3° |
| N67 | C66 | C65 | 110.3° | 107.3° |
| N63 | C64 | N84 | 126.3° | 134.5° |
| N63 | C64 | C65 | 107.1° | 106.9° |
| C68 | C66 | C65 | 131.2° | 126.3° |
| C66 | C68 | C73 | 120.8° | 120.0° |
| C66 | C68 | C69 | 120.4° | 120.1° |
| C66 | C65 | C64 | 104.6° | 106.5° |
| C66 | C65 | C81 | 139.6° | 135.0° |
| N84 | C64 | C65 | 126.6° | 118.6° |
| C64 | N84 | C83 | 111.6° | 120.7° |
| C64 | C65 | C81 | 115.8° | 118.6° |
| C73 | C68 | C69 | 118.7° | 119.9° |
| C68 | C73 | C72 | 120.7° | 119.9° |
| C68 | C73 | H150 | 119.6° | 120.0° |
| C68 | C69 | C70 | 120.9° | 119.9° |
| C68 | C69 | H147 | 119.6° | 120.0° |
| C73 | C72 | C71 | 119.9° | 120.1° |
| C73 | C72 | H149 | 120.0° | 120.0° |
| C72 | C73 | H150 | 119.7° | 120.1° |
| C69 | C70 | C71 | 119.9° | 120.1° |
| C70 | C69 | H147 | 119.5° | 120.0° |
| C69 | C70 | H148 | 120.0° | 119.9° |
| C72 | C71 | C70 | 119.9° | 120.1° |
| C72 | C71 | O74 | 122.3° | 119.9° |
| C71 | C72 | H149 | 120.1° | 119.9° |
| C70 | C71 | O74 | 117.8° | 120.0° |
| C71 | C70 | H148 | 120.1° | 120.0° |
| C71 | O74 | C75 | 120.5° | 118.0° |
| N84 | C83 | N82 | 128.8° | 122.7° |
| N84 | C83 | H156 | 115.6° | 118.7° |
| O74 | C75 | C80 | 118.9° | 120.0° |
| O74 | C75 | C76 | 120.7° | 120.1° |
| C65 | C81 | N82 | 118.4° | 118.3° |
| C65 | C81 | N85 | 123.6° | 120.8° |
| C75 | C80 | C79 | 119.3° | 119.9° |
| C80 | C75 | C76 | 120.4° | 119.9° |
| C75 | C80 | H155 | 120.4° | 120.0° |
| C80 | C79 | C78 | 120.6° | 120.1° |
| C80 | C79 | H154 | 119.7° | 120.0° |
| C79 | C80 | H155 | 120.4° | 120.1° |
| C75 | C76 | C77 | 119.4° | 119.9° |
| C75 | C76 | H151 | 120.3° | 120.1° |
| C83 | N82 | C81 | 118.8° | 121.1° |
| N82 | C83 | H156 | 115.6° | 118.6° |
| C79 | C78 | C77 | 119.9° | 120.1° |
| C79 | C78 | H153 | 120.0° | 119.9° |
| C78 | C79 | H154 | 119.7° | 120.0° |
| N82 | C81 | N85 | 117.9° | 120.9° |
| C81 | N85 | H157 | 109.5° | 120.0° |
| C81 | N85 | H158 | 109.5° | 120.0° |
| C76 | C77 | C78 | 120.5° | 120.0° |
| C77 | C76 | H151 | 120.3° | 120.0° |
| C76 | C77 | H152 | 119.8° | 120.0° |
| C78 | C77 | H152 | 119.7° | 120.0° |
| C77 | C78 | H153 | 120.1° | 119.9° |
| H127 | C47 | H128 | 109.5° | 109.4° |
| H122 | C43 | H121 | 109.5° | 109.4° |
| H99 | C13 | H100 | 109.5° | 109.5° |
| H105 | C21 | H106 | 109.5° | 110.9° |
| H103 | C18 | H104 | 109.5° | 109.9° |
| H90 | C1 | H89 | 109.5° | 109.4° |
| H90 | C1 | H88 | 109.4° | 109.5° |
| H89 | C1 | H88 | 109.5° | 109.4° |
| H94 | C10 | H93 | 109.5° | 109.5° |
| H95 | C11 | H96 | 109.5° | 109.5° |
| H97 | C12 | H98 | 109.4° | 109.4° |
| H102 | C14 | H101 | 109.4° | 109.4° |
| H109 | C29 | H108 | 109.4° | 109.7° |
| H111 | C30 | H110 | 109.5° | 109.7° |
| H113 | C31 | H112 | 109.5° | 109.2° |
| H120 | C41 | H119 | 109.5° | 109.5° |
| H123 | C44 | H124 | 109.4° | 109.5° |
| H126 | C46 | H125 | 109.5° | 109.5° |
| H129 | C49 | H130 | 109.4° | 109.5° |
| H131 | C50 | H132 | 109.5° | 109.5° |
| H133 | C51 | H134 | 109.5° | 109.4° |
| H135 | C52 | H136 | 109.5° | 109.5° |
| H138 | C53 | H137 | 109.5° | 109.5° |
| H140 | C57 | H139 | 109.5° | 109.6° |
| H142 | C58 | H141 | 109.5° | 109.5° |
| H143 | C59 | H144 | 109.5° | 109.4° |
| H145 | C62 | H146 | 109.5° | 109.7° |
| H157 | N85 | H158 | 109.5° | 120.0° |
| H160 | C87 | H161 | 109.5° | 109.4° |
| H160 | C87 | H162 | 109.5° | 109.5° |
| H161 | C87 | H162 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | C2 | N86 | C4 | 138.6° | 120.0° |
| C1 | C2 | N86 | H3 | 111.1° | 120.0° |
| C1 | C2 | N86 | C87 | 162.4° | 85.0° |
| C1 | C2 | C4 | H3 | 112.2° | 120.0° |
| C1 | C2 | C4 | O5 | 137.8° | 120.0° |
| C1 | C2 | C4 | N6 | 52.2° | 60.0° |
| C2 | C1 | H90 | H89 | 120.0° | 120.0° |
| C2 | C1 | H90 | H88 | 120.0° | 120.1° |
| C2 | C1 | H89 | H88 | 120.0° | 120.0° |
| C1 | C2 | N86 | H159 | 77.0° | 151.1° |
| C2 | N86 | C87 | H159 | 120.7° | 123.9° |
| N86 | C2 | C4 | H3 | 110.6° | 120.0° |
| N86 | C2 | C4 | O5 | 0.6° | 0.0° |
| N86 | C2 | C4 | N6 | 170.6° | 180.0° |
| N86 | C2 | C1 | H90 | 180.0° | 60.0° |
| N86 | C2 | C1 | H89 | 60.0° | 60.0° |
| N86 | C2 | C1 | H88 | 60.0° | 180.0° |
| C2 | N86 | C87 | H160 | 180.0° | 180.0° |
| C2 | N86 | C87 | H161 | 60.0° | 60.1° |
| C2 | N86 | C87 | H162 | 60.0° | 59.9° |
| C87 | N86 | C2 | C4 | 59.0° | 155.0° |
| C87 | N86 | C2 | H3 | 51.3° | 34.9° |
| N86 | C87 | H160 | H161 | 120.0° | 120.0° |
| N86 | C87 | H160 | H162 | 120.0° | 120.1° |
| N86 | C87 | H161 | H162 | 120.0° | 120.0° |
| C2 | C4 | O5 | N6 | 169.5° | 180.0° |
| C2 | C4 | N6 | C7 | 176.9° | 180.0° |
| C4 | C2 | C1 | H90 | 43.6° | 180.0° |
| C4 | C2 | C1 | H89 | 163.6° | 60.0° |
| C4 | C2 | C1 | H88 | 76.4° | 60.0° |
| C2 | C4 | N6 | H91 | 3.1° | 0.1° |
| C4 | C2 | N86 | H159 | 61.7° | 31.1° |
| C35 | C36 | C37 | H116 | 180.0° | 179.8° |
| C36 | C35 | C34 | H115 | 180.0° | 179.9° |
| C35 | C36 | C37 | C32 | 0.4° | 0.0° |
| C36 | C35 | C34 | C33 | 0.7° | 0.1° |
| C35 | C36 | C37 | H117 | 179.6° | 180.0° |
| C36 | C35 | C34 | H114 | 179.3° | 179.9° |
| C37 | C36 | C35 | C34 | 0.3° | 0.2° |
| C36 | C37 | C32 | H117 | 180.0° | 180.0° |
| C36 | C37 | C32 | C33 | 0.5° | 0.3° |
| C36 | C37 | C32 | C31 | 177.9° | 179.4° |
| C37 | C36 | C35 | H115 | 179.7° | 179.9° |
| C35 | C34 | C33 | H114 | 180.0° | 180.0° |
| C35 | C34 | C33 | C32 | 1.6° | 0.2° |
| C35 | C34 | C33 | C27 | 175.8° | 179.8° |
| C34 | C35 | C36 | H116 | 179.7° | 179.6° |
| O5 | C4 | N6 | C7 | 13.2° | 0.0° |
| O5 | C4 | C2 | H3 | 110.0° | 120.0° |
| O5 | C4 | N6 | H91 | 166.8° | 179.9° |
| C4 | N6 | C7 | H91 | 180.0° | 179.9° |
| C4 | N6 | C7 | C15 | 141.6° | 155.0° |
| C4 | N6 | C7 | C9 | 87.9° | 85.0° |
| C4 | N6 | C7 | H8 | 28.5° | 35.0° |
| N6 | C4 | C2 | H3 | 60.0° | 60.0° |
| C37 | C32 | C33 | C34 | 1.4° | 0.3° |
| C37 | C32 | C33 | C31 | 177.4° | 179.6° |
| C37 | C32 | C33 | C27 | 175.9° | 179.6° |
| C37 | C32 | C31 | C30 | 168.1° | 162.6° |
| C32 | C37 | C36 | H116 | 179.6° | 179.8° |
| C37 | C32 | C31 | H113 | 47.4° | 42.3° |
| C37 | C32 | C31 | H112 | 71.2° | 77.1° |
| N6 | C7 | C15 | O16 | 37.4° | 17.4° |
| N6 | C7 | C15 | N17 | 143.9° | 162.6° |
| N6 | C7 | C15 | C9 | 131.0° | 120.0° |
| N6 | C7 | C15 | H8 | 113.6° | 120.0° |
| N6 | C7 | C9 | H8 | 117.1° | 120.0° |
| N6 | C7 | C9 | C10 | 0.4° | 65.8° |
| N6 | C7 | C9 | C14 | 125.0° | 54.2° |
| N6 | C7 | C9 | H92 | 117.2° | 174.2° |
| C34 | C33 | C32 | C27 | 177.3° | 180.0° |
| C34 | C33 | C32 | C31 | 178.8° | 179.3° |
| C34 | C33 | C27 | N26 | 43.3° | 41.9° |
| C34 | C33 | C27 | C29 | 162.6° | 162.2° |
| C33 | C34 | C35 | H115 | 179.3° | 179.9° |
| C34 | C33 | C27 | H28 | 76.9° | 77.6° |
| O16 | C15 | N17 | C7 | 178.7° | 180.0° |
| O16 | C15 | N17 | C22 | 3.6° | 4.6° |
| O16 | C15 | N17 | C18 | 178.2° | 175.4° |
| O16 | C15 | C7 | C9 | 93.5° | 102.6° |
| O16 | C15 | C7 | H8 | 151.0° | 137.4° |
| C32 | C33 | C27 | N26 | 134.0° | 138.1° |
| C33 | C32 | C31 | C30 | 14.5° | 17.8° |
| C32 | C33 | C27 | C29 | 14.7° | 17.8° |
| C33 | C32 | C37 | H117 | 179.5° | 179.7° |
| C32 | C33 | C34 | H114 | 178.4° | 179.8° |
| C32 | C33 | C27 | H28 | 105.8° | 102.4° |
| C33 | C32 | C31 | H113 | 135.3° | 138.0° |
| C33 | C32 | C31 | H112 | 106.2° | 102.5° |
| C31 | C32 | C33 | C27 | 1.5° | 0.7° |
| C32 | C31 | C30 | H113 | 120.7° | 120.3° |
| C32 | C31 | C30 | H112 | 120.7° | 120.3° |
| C32 | C31 | C30 | C29 | 45.8° | 51.1° |
| C31 | C32 | C37 | H117 | 2.1° | 0.6° |
| C32 | C31 | C30 | H111 | 74.3° | 170.8° |
| C32 | C31 | C30 | H110 | 165.9° | 68.7° |
| C32 | C31 | H113 | H112 | 117.7° | 119.5° |
| C15 | N17 | C22 | C18 | 178.4° | 180.0° |
| C15 | N17 | C22 | C21 | 168.9° | 155.9° |
| C15 | N17 | C22 | C24 | 53.1° | 37.1° |
| N17 | C15 | C7 | C9 | 85.2° | 77.4° |
| C15 | N17 | C18 | C19 | 162.8° | 179.0° |
| N17 | C15 | C7 | H8 | 30.3° | 42.6° |
| C15 | N17 | C18 | H103 | 77.9° | 59.5° |
| C15 | N17 | C18 | H104 | 43.5° | 61.6° |
| C15 | N17 | C22 | H23 | 71.5° | 85.2° |
| C7 | C15 | N17 | C22 | 175.1° | 175.4° |
| C7 | C15 | N17 | C18 | 3.1° | 4.6° |
| C15 | C7 | C9 | H8 | 115.7° | 120.0° |
| C15 | C7 | C9 | C10 | 126.9° | 174.2° |
| C15 | C7 | C9 | C14 | 2.2° | 65.8° |
| C15 | C7 | C9 | H92 | 115.5° | 54.2° |
| C15 | C7 | N6 | H91 | 38.4° | 24.9° |
| C33 | C27 | N26 | C24 | 157.5° | 85.0° |
| C33 | C27 | N26 | C29 | 123.0° | 121.1° |
| C33 | C27 | N26 | H28 | 119.7° | 119.5° |
| C33 | C27 | C29 | H28 | 120.5° | 120.2° |
| C33 | C27 | C29 | C30 | 46.2° | 51.1° |
| C27 | C33 | C34 | H114 | 4.2° | 0.2° |
| C33 | C27 | N26 | H107 | 22.6° | 95.0° |
| C33 | C27 | C29 | H109 | 74.1° | 68.5° |
| C33 | C27 | C29 | H108 | 166.4° | 170.9° |
| N17 | C22 | C21 | C24 | 118.4° | 118.8° |
| N17 | C22 | C21 | H23 | 120.3° | 118.9° |
| N17 | C22 | C24 | H23 | 125.1° | 122.3° |
| N17 | C22 | C24 | N26 | 130.1° | 161.5° |
| C22 | N17 | C18 | C19 | 15.5° | 1.0° |
| N17 | C22 | C21 | C19 | 0.6° | 37.0° |
| N17 | C22 | C24 | O25 | 51.2° | 18.5° |
| N17 | C22 | C21 | H105 | 120.3° | 155.1° |
| N17 | C22 | C21 | H106 | 119.2° | 81.1° |
| C22 | N17 | C18 | H103 | 103.8° | 120.5° |
| C22 | N17 | C18 | H104 | 134.8° | 118.4° |
| C21 | C22 | C24 | H23 | 121.2° | 122.3° |
| C21 | C22 | N17 | C18 | 9.5° | 24.1° |
| C21 | C22 | C24 | N26 | 116.2° | 83.1° |
| C22 | C21 | C19 | C18 | 9.7° | 35.5° |
| C22 | C21 | C19 | H105 | 119.7° | 118.0° |
| C22 | C21 | C19 | H106 | 119.7° | 118.1° |
| C21 | C22 | C24 | O25 | 62.5° | 96.9° |
| C22 | C21 | C19 | N38 | 132.1° | 153.9° |
| C22 | C21 | H105 | H106 | 120.8° | 123.9° |
| C22 | C21 | C19 | H20 | 114.8° | 82.9° |
| C24 | C22 | N17 | C18 | 125.3° | 142.9° |
| C22 | C24 | N26 | O25 | 178.7° | 180.0° |
| C22 | C24 | N26 | C27 | 158.4° | 180.0° |
| C24 | C22 | C21 | C19 | 117.8° | 155.9° |
| C24 | C22 | C21 | H105 | 1.9° | 86.1° |
| C24 | C22 | C21 | H106 | 122.4° | 37.7° |
| C22 | C24 | N26 | H107 | 21.6° | 0.0° |
| N17 | C18 | C19 | H103 | 119.3° | 119.5° |
| N17 | C18 | C19 | H104 | 119.3° | 119.6° |
| N17 | C18 | C19 | C21 | 14.9° | 22.2° |
| N17 | C18 | C19 | N38 | 132.1° | 140.6° |
| N17 | C18 | H103 | H104 | 122.0° | 121.2° |
| N17 | C18 | C19 | H20 | 119.9° | 96.2° |
| C18 | N17 | C22 | H23 | 110.1° | 94.8° |
| C24 | N26 | C27 | H107 | 180.0° | 180.0° |
| C24 | N26 | C27 | C29 | 79.6° | 153.9° |
| N26 | C24 | C22 | H23 | 5.0° | 39.1° |
| C24 | N26 | C27 | H28 | 37.8° | 34.5° |
| C27 | N26 | C24 | O25 | 20.3° | 0.0° |
| N26 | C27 | C29 | H28 | 117.9° | 119.5° |
| N26 | C27 | C29 | C30 | 167.7° | 171.4° |
| N26 | C27 | C29 | H109 | 47.4° | 51.8° |
| N26 | C27 | C29 | H108 | 72.0° | 68.8° |
| C7 | C9 | C10 | C14 | 127.4° | 120.0° |
| C7 | C9 | C10 | H92 | 117.3° | 120.0° |
| C7 | C9 | C14 | H92 | 117.5° | 120.0° |
| C7 | C9 | C10 | C11 | 176.1° | 180.0° |
| C7 | C9 | C14 | C13 | 175.9° | 180.0° |
| C9 | C7 | N6 | H91 | 92.1° | 95.1° |
| C7 | C9 | C10 | H94 | 55.8° | 60.0° |
| C7 | C9 | C10 | H93 | 63.5° | 60.0° |
| C7 | C9 | C14 | H102 | 63.7° | 60.0° |
| C7 | C9 | C14 | H101 | 55.6° | 60.0° |
| C31 | C30 | C29 | C27 | 62.5° | 69.9° |
| C31 | C30 | C29 | H111 | 120.1° | 119.7° |
| C31 | C30 | C29 | H110 | 120.1° | 119.7° |
| C31 | C30 | C29 | H109 | 57.7° | 49.8° |
| C31 | C30 | C29 | H108 | 177.2° | 170.4° |
| C31 | C30 | H111 | H110 | 119.7° | 120.5° |
| C30 | C31 | H113 | H112 | 117.8° | 119.4° |
| C18 | C19 | C21 | N38 | 141.7° | 118.4° |
| C18 | C19 | C21 | H20 | 105.1° | 118.4° |
| C18 | C19 | N38 | H20 | 107.8° | 123.3° |
| C18 | C19 | N38 | C39 | 170.7° | 91.4° |
| C18 | C19 | C21 | H105 | 129.4° | 153.5° |
| C18 | C19 | C21 | H106 | 110.1° | 82.6° |
| C19 | C18 | H103 | H104 | 122.1° | 121.0° |
| C18 | C19 | N38 | H118 | 9.2° | 88.4° |
| C21 | C19 | N38 | H20 | 113.0° | 123.2° |
| C21 | C19 | N38 | C39 | 31.5° | 155.0° |
| C19 | C21 | H105 | H106 | 120.8° | 124.0° |
| C21 | C19 | C18 | H103 | 104.4° | 97.2° |
| C21 | C19 | C18 | H104 | 134.2° | 141.8° |
| C19 | C21 | C22 | H23 | 120.8° | 81.9° |
| C21 | C19 | N38 | H118 | 148.5° | 25.1° |
| O25 | C24 | C22 | H23 | 176.3° | 140.8° |
| O25 | C24 | N26 | H107 | 159.7° | 180.0° |
| C27 | C29 | C30 | H109 | 120.3° | 119.7° |
| C27 | C29 | C30 | H108 | 120.2° | 119.8° |
| C29 | C27 | N26 | H107 | 100.4° | 26.1° |
| C27 | C29 | H109 | H108 | 119.2° | 120.6° |
| C27 | C29 | C30 | H111 | 57.6° | 170.5° |
| C27 | C29 | C30 | H110 | 177.4° | 49.9° |
| C19 | N38 | C39 | H118 | 180.0° | 179.8° |
| C19 | N38 | C39 | O40 | 109.3° | 0.1° |
| C19 | N38 | C39 | C41 | 74.2° | 180.0° |
| N38 | C19 | C21 | H105 | 12.3° | 88.1° |
| N38 | C19 | C21 | H106 | 108.2° | 35.8° |
| N38 | C19 | C18 | H103 | 108.6° | 21.1° |
| N38 | C19 | C18 | H104 | 12.9° | 99.9° |
| C30 | C29 | C27 | H28 | 74.3° | 69.1° |
| C30 | C29 | H109 | H108 | 119.3° | 120.5° |
| C29 | C30 | H111 | H110 | 119.7° | 120.6° |
| C29 | C30 | C31 | H113 | 166.5° | 171.4° |
| C29 | C30 | C31 | H112 | 74.9° | 69.2° |
| C10 | C9 | C14 | H92 | 115.4° | 120.0° |
| C9 | C10 | C11 | H94 | 120.4° | 120.0° |
| C9 | C10 | C11 | H93 | 120.4° | 120.1° |
| C10 | C9 | C14 | C13 | 57.0° | 60.0° |
| C9 | C10 | C11 | C12 | 55.8° | 60.0° |
| C10 | C9 | C7 | H8 | 117.5° | 54.2° |
| C9 | C10 | H94 | H93 | 118.9° | 120.1° |
| C9 | C10 | C11 | H95 | 64.5° | 59.9° |
| C9 | C10 | C11 | H96 | 176.2° | 180.0° |
| C10 | C9 | C14 | H102 | 63.4° | 60.0° |
| C10 | C9 | C14 | H101 | 177.4° | 180.0° |
| C14 | C9 | C10 | C11 | 56.5° | 60.0° |
| C9 | C14 | C13 | H102 | 120.4° | 120.0° |
| C9 | C14 | C13 | H101 | 120.4° | 120.0° |
| C9 | C14 | C13 | C12 | 56.8° | 59.9° |
| C14 | C9 | C7 | H8 | 117.9° | 174.2° |
| C9 | C14 | C13 | H99 | 177.1° | 60.0° |
| C9 | C14 | C13 | H100 | 63.5° | 180.0° |
| C14 | C9 | C10 | H94 | 176.9° | 180.0° |
| C14 | C9 | C10 | H93 | 63.9° | 60.0° |
| C9 | C14 | H102 | H101 | 118.9° | 120.0° |
| C10 | C11 | C12 | H95 | 120.4° | 120.0° |
| C10 | C11 | C12 | H96 | 120.4° | 120.0° |
| C10 | C11 | C12 | C13 | 53.4° | 60.0° |
| C11 | C10 | C9 | H92 | 58.8° | 59.9° |
| C11 | C10 | H94 | H93 | 118.8° | 120.0° |
| C10 | C11 | H95 | H96 | 118.8° | 120.1° |
| C10 | C11 | C12 | H97 | 173.6° | 60.0° |
| C10 | C11 | C12 | H98 | 66.9° | 180.0° |
| N38 | C39 | O40 | C41 | 176.4° | 179.9° |
| N38 | C39 | C41 | O42 | 14.5° | 179.9° |
| C39 | N38 | C19 | H20 | 81.5° | 31.8° |
| N38 | C39 | C41 | H120 | 105.7° | 60.1° |
| N38 | C39 | C41 | H119 | 134.8° | 60.0° |
| C14 | C13 | C12 | C11 | 53.7° | 60.0° |
| C14 | C13 | C12 | H99 | 120.3° | 119.9° |
| C14 | C13 | C12 | H100 | 120.3° | 120.1° |
| C13 | C14 | C9 | H92 | 58.4° | 60.0° |
| C14 | C13 | H99 | H100 | 119.1° | 120.0° |
| C14 | C13 | C12 | H97 | 173.9° | 60.1° |
| C14 | C13 | C12 | H98 | 66.6° | 180.0° |
| C13 | C14 | H102 | H101 | 118.9° | 120.0° |
| O40 | C39 | C41 | O42 | 162.1° | 0.0° |
| O40 | C39 | N38 | H118 | 70.7° | 180.0° |
| O40 | C39 | C41 | H120 | 77.7° | 120.0° |
| O40 | C39 | C41 | H119 | 41.8° | 120.0° |
| C39 | C41 | O42 | H120 | 120.2° | 120.0° |
| C39 | C41 | O42 | H119 | 120.2° | 120.0° |
| C39 | C41 | O42 | C43 | 143.0° | 180.0° |
| C41 | C39 | N38 | H118 | 105.8° | 0.1° |
| C39 | C41 | H120 | H119 | 119.3° | 120.0° |
| C11 | C12 | C13 | H97 | 120.2° | 120.1° |
| C11 | C12 | C13 | H98 | 120.3° | 120.0° |
| C11 | C12 | C13 | H99 | 174.0° | 60.0° |
| C11 | C12 | C13 | H100 | 66.7° | 180.0° |
| C12 | C11 | C10 | H94 | 176.2° | 180.0° |
| C12 | C11 | C10 | H93 | 64.6° | 60.1° |
| C12 | C11 | H95 | H96 | 118.9° | 120.0° |
| C11 | C12 | H97 | H98 | 119.3° | 120.0° |
| C41 | O42 | C43 | C44 | 75.5° | 180.0° |
| C41 | O42 | C43 | H122 | 44.7° | 60.0° |
| C41 | O42 | C43 | H121 | 164.3° | 60.0° |
| O42 | C41 | H120 | H119 | 119.4° | 120.0° |
| O42 | C43 | C44 | H122 | 120.2° | 120.1° |
| O42 | C43 | C44 | H121 | 120.2° | 120.0° |
| O42 | C43 | C44 | N45 | 173.2° | 65.0° |
| O42 | C43 | H122 | H121 | 119.3° | 120.0° |
| C43 | O42 | C41 | H120 | 96.8° | 60.0° |
| C43 | O42 | C41 | H119 | 22.8° | 60.0° |
| O42 | C43 | C44 | H123 | 53.3° | 175.0° |
| O42 | C43 | C44 | H124 | 66.9° | 55.0° |
| C12 | C13 | H99 | H100 | 119.0° | 120.0° |
| C13 | C12 | C11 | H95 | 67.0° | 60.0° |
| C13 | C12 | C11 | H96 | 173.7° | 180.0° |
| C13 | C12 | H97 | H98 | 119.3° | 119.9° |
| C12 | C13 | C14 | H102 | 63.6° | 60.1° |
| C12 | C13 | C14 | H101 | 177.1° | 180.0° |
| C43 | C44 | N45 | H123 | 119.9° | 120.0° |
| C43 | C44 | N45 | H124 | 119.9° | 120.0° |
| C43 | C44 | N45 | C50 | 115.3° | 66.2° |
| C43 | C44 | N45 | C46 | 117.6° | 170.0° |
| C44 | C43 | H122 | H121 | 119.3° | 119.9° |
| C43 | C44 | H123 | H124 | 120.3° | 120.0° |
| C44 | N45 | C50 | C46 | 130.2° | 123.9° |
| C44 | N45 | C50 | C49 | 166.6° | 176.8° |
| C44 | N45 | C46 | C47 | 166.8° | 176.8° |
| N45 | C44 | C43 | H122 | 66.6° | 55.1° |
| N45 | C44 | C43 | H121 | 53.0° | 175.0° |
| N45 | C44 | H123 | H124 | 120.3° | 120.0° |
| C44 | N45 | C46 | H126 | 73.2° | 56.8° |
| C44 | N45 | C46 | H125 | 46.8° | 63.2° |
| C44 | N45 | C50 | H131 | 46.6° | 56.8° |
| C44 | N45 | C50 | H132 | 73.4° | 63.2° |
| N45 | C50 | C49 | H131 | 120.0° | 119.9° |
| N45 | C50 | C49 | H132 | 120.0° | 120.0° |
| N45 | C50 | C49 | N48 | 58.8° | 58.5° |
| C50 | N45 | C46 | C47 | 63.1° | 59.3° |
| C50 | N45 | C44 | H123 | 4.6° | 53.8° |
| C50 | N45 | C44 | H124 | 124.8° | 173.8° |
| C50 | N45 | C46 | H126 | 56.9° | 179.3° |
| C50 | N45 | C46 | H125 | 176.9° | 60.7° |
| N45 | C50 | C49 | H129 | 61.4° | 178.4° |
| N45 | C50 | C49 | H130 | 179.1° | 61.6° |
| N45 | C50 | H131 | H132 | 120.1° | 120.0° |
| C49 | C50 | N45 | C46 | 63.2° | 59.4° |
| C50 | C49 | N48 | H129 | 120.3° | 119.9° |
| C50 | C49 | N48 | H130 | 120.2° | 120.0° |
| C50 | C49 | N48 | C47 | 53.6° | 59.3° |
| C50 | C49 | N48 | C51 | 176.3° | 176.8° |
| C50 | C49 | H129 | H130 | 119.3° | 120.1° |
| C49 | C50 | H131 | H132 | 120.0° | 120.1° |
| N45 | C46 | C47 | H126 | 120.0° | 119.9° |
| N45 | C46 | C47 | H125 | 120.1° | 120.0° |
| N45 | C46 | C47 | N48 | 58.1° | 58.5° |
| N45 | C46 | C47 | H127 | 178.3° | 178.4° |
| N45 | C46 | C47 | H128 | 62.1° | 61.6° |
| C46 | N45 | C44 | H123 | 122.5° | 70.0° |
| C46 | N45 | C44 | H124 | 2.3° | 50.0° |
| N45 | C46 | H126 | H125 | 120.0° | 120.0° |
| C46 | N45 | C50 | H131 | 176.9° | 179.3° |
| C46 | N45 | C50 | H132 | 56.8° | 60.6° |
| C49 | N48 | C47 | C46 | 53.1° | 59.4° |
| C49 | N48 | C47 | C51 | 121.5° | 123.8° |
| C49 | N48 | C51 | C52 | 164.1° | 66.3° |
| C49 | N48 | C47 | H127 | 173.3° | 179.3° |
| C49 | N48 | C47 | H128 | 67.1° | 60.7° |
| N48 | C49 | H129 | H130 | 119.2° | 120.1° |
| N48 | C49 | C50 | H131 | 178.8° | 178.4° |
| N48 | C49 | C50 | H132 | 61.2° | 61.5° |
| C49 | N48 | C51 | H133 | 75.2° | 173.8° |
| C49 | N48 | C51 | H134 | 43.2° | 53.8° |
| C46 | C47 | N48 | H127 | 120.2° | 120.0° |
| C46 | C47 | N48 | H128 | 120.2° | 120.1° |
| C46 | C47 | N48 | C51 | 174.6° | 176.8° |
| C46 | C47 | H127 | H128 | 119.4° | 120.1° |
| C47 | C46 | H126 | H125 | 119.9° | 120.1° |
| C47 | N48 | C51 | C52 | 73.5° | 170.0° |
| N48 | C47 | H127 | H128 | 119.4° | 120.0° |
| N48 | C47 | C46 | H126 | 61.9° | 178.4° |
| N48 | C47 | C46 | H125 | 178.2° | 61.5° |
| C47 | N48 | C49 | H129 | 66.7° | 179.2° |
| C47 | N48 | C49 | H130 | 173.8° | 60.7° |
| C47 | N48 | C51 | H133 | 47.3° | 50.0° |
| C47 | N48 | C51 | H134 | 165.7° | 69.9° |
| N48 | C51 | C52 | H133 | 120.8° | 120.0° |
| N48 | C51 | C52 | H134 | 120.8° | 120.0° |
| N48 | C51 | C52 | C53 | 59.1° | 180.0° |
| C51 | N48 | C47 | H127 | 65.2° | 56.8° |
| C51 | N48 | C47 | H128 | 54.4° | 63.1° |
| C51 | N48 | C49 | H129 | 56.0° | 56.9° |
| C51 | N48 | C49 | H130 | 63.4° | 63.2° |
| N48 | C51 | H133 | H134 | 117.6° | 120.0° |
| N48 | C51 | C52 | H135 | 61.7° | 60.0° |
| N48 | C51 | C52 | H136 | 179.8° | 59.9° |
| C57 | C58 | C59 | H142 | 120.2° | 119.9° |
| C57 | C58 | C59 | H141 | 120.2° | 120.0° |
| C58 | C57 | N56 | H140 | 120.0° | 119.8° |
| C58 | C57 | N56 | H139 | 120.0° | 119.9° |
| C57 | C58 | C59 | C60 | 50.0° | 61.4° |
| C58 | C57 | N56 | C54 | 113.6° | 126.4° |
| C58 | C57 | N56 | C62 | 64.3° | 53.9° |
| C58 | C57 | H140 | H139 | 119.9° | 120.4° |
| C57 | C58 | H142 | H141 | 119.4° | 120.0° |
| C57 | C58 | C59 | H143 | 170.4° | 178.6° |
| C57 | C58 | C59 | H144 | 70.4° | 58.7° |
| C59 | C58 | C57 | N56 | 56.9° | 54.6° |
| C58 | C59 | C60 | H143 | 120.4° | 120.0° |
| C58 | C59 | C60 | H144 | 120.4° | 120.0° |
| C58 | C59 | C60 | C62 | 48.9° | 61.5° |
| C58 | C59 | C60 | N63 | 170.8° | 178.7° |
| C59 | C58 | C57 | H140 | 63.2° | 174.4° |
| C59 | C58 | C57 | H139 | 176.9° | 65.2° |
| C59 | C58 | H142 | H141 | 119.4° | 120.1° |
| C58 | C59 | H143 | H144 | 118.9° | 119.9° |
| C58 | C59 | C60 | H61 | 69.5° | 58.6° |
| C57 | N56 | C54 | C53 | 29.5° | 0.2° |
| C57 | N56 | C54 | C62 | 177.8° | 179.8° |
| C57 | N56 | C54 | O55 | 153.2° | 179.7° |
| C57 | N56 | C62 | C60 | 62.7° | 53.9° |
| N56 | C57 | H140 | H139 | 119.9° | 120.3° |
| N56 | C57 | C58 | H142 | 63.3° | 65.4° |
| N56 | C57 | C58 | H141 | 177.1° | 174.6° |
| C57 | N56 | C62 | H145 | 57.3° | 65.9° |
| C57 | N56 | C62 | H146 | 177.2° | 173.6° |
| C51 | C52 | C53 | H135 | 120.8° | 119.9° |
| C51 | C52 | C53 | H136 | 120.8° | 120.0° |
| C51 | C52 | C53 | C54 | 148.7° | 180.0° |
| C52 | C51 | H133 | H134 | 117.6° | 120.0° |
| C51 | C52 | H135 | H136 | 117.5° | 120.0° |
| C51 | C52 | C53 | H138 | 91.0° | 60.1° |
| C51 | C52 | C53 | H137 | 28.3° | 60.0° |
| C59 | C60 | C62 | N56 | 54.5° | 54.9° |
| C59 | C60 | C62 | N63 | 123.9° | 119.8° |
| C59 | C60 | C62 | H61 | 118.4° | 120.0° |
| C59 | C60 | N63 | H61 | 119.2° | 120.1° |
| C59 | C60 | N63 | N67 | 43.3° | 59.7° |
| C59 | C60 | N63 | C64 | 144.5° | 120.0° |
| C60 | C59 | C58 | H142 | 70.2° | 58.6° |
| C60 | C59 | C58 | H141 | 170.2° | 178.7° |
| C60 | C59 | H143 | H144 | 118.8° | 120.0° |
| C59 | C60 | C62 | H145 | 65.5° | 64.9° |
| C59 | C60 | C62 | H146 | 174.5° | 174.5° |
| C52 | C53 | C54 | H138 | 120.4° | 120.0° |
| C52 | C53 | C54 | H137 | 120.3° | 120.0° |
| C52 | C53 | C54 | N56 | 77.9° | 180.0° |
| C52 | C53 | C54 | O55 | 99.5° | 0.0° |
| C53 | C52 | C51 | H133 | 179.9° | 60.0° |
| C53 | C52 | C51 | H134 | 61.7° | 60.0° |
| C53 | C52 | H135 | H136 | 117.5° | 120.0° |
| C52 | C53 | H138 | H137 | 118.8° | 120.0° |
| C53 | C54 | N56 | O55 | 177.3° | 180.0° |
| C53 | C54 | N56 | C62 | 152.8° | 180.0° |
| C54 | C53 | C52 | H135 | 27.9° | 60.0° |
| C54 | C53 | C52 | H136 | 90.6° | 60.0° |
| C54 | C53 | H138 | H137 | 118.9° | 120.0° |
| C54 | N56 | C62 | C60 | 115.4° | 126.3° |
| N56 | C54 | C53 | H138 | 161.8° | 60.0° |
| N56 | C54 | C53 | H137 | 42.5° | 60.0° |
| C54 | N56 | C57 | H140 | 126.4° | 6.6° |
| C54 | N56 | C57 | H139 | 6.4° | 113.8° |
| C54 | N56 | C62 | H145 | 124.5° | 113.9° |
| C54 | N56 | C62 | H146 | 4.6° | 6.6° |
| C62 | N56 | C54 | O55 | 24.6° | 0.1° |
| N56 | C62 | C60 | H145 | 120.0° | 119.8° |
| N56 | C62 | C60 | H146 | 120.0° | 119.7° |
| N56 | C62 | C60 | N63 | 178.4° | 174.7° |
| C62 | N56 | C57 | H140 | 55.7° | 173.6° |
| C62 | N56 | C57 | H139 | 175.7° | 66.0° |
| N56 | C62 | C60 | H61 | 63.9° | 65.1° |
| N56 | C62 | H145 | H146 | 119.9° | 120.4° |
| O55 | C54 | C53 | H138 | 20.8° | 120.0° |
| O55 | C54 | C53 | H137 | 140.1° | 120.0° |
| C62 | C60 | N63 | H61 | 117.2° | 120.3° |
| C62 | C60 | N63 | N67 | 80.3° | 60.0° |
| C62 | C60 | N63 | C64 | 91.9° | 120.4° |
| C62 | C60 | C59 | H143 | 169.3° | 178.5° |
| C62 | C60 | C59 | H144 | 71.4° | 58.5° |
| C60 | C62 | H145 | H146 | 120.0° | 120.5° |
| C60 | N63 | N67 | C64 | 173.5° | 179.7° |
| C60 | N63 | N67 | C66 | 173.5° | 179.9° |
| C60 | N63 | C64 | N84 | 8.7° | 0.1° |
| C60 | N63 | C64 | C65 | 171.1° | 180.0° |
| N63 | C60 | C59 | H143 | 68.8° | 58.7° |
| N63 | C60 | C59 | H144 | 50.5° | 61.3° |
| N63 | C60 | C62 | H145 | 58.4° | 55.0° |
| N63 | C60 | C62 | H146 | 61.6° | 65.6° |
| N63 | N67 | C66 | C68 | 173.6° | 179.8° |
| N63 | N67 | C66 | C65 | 1.6° | 0.3° |
| N67 | N63 | C64 | N84 | 178.6° | 179.8° |
| N67 | N63 | C64 | C65 | 1.6° | 0.3° |
| N67 | N63 | C60 | H61 | 162.4° | 179.7° |
| C66 | N67 | N63 | C64 | 0.0° | 0.4° |
| N67 | C66 | C68 | C65 | 174.0° | 179.9° |
| N67 | C66 | C65 | C64 | 2.6° | 0.2° |
| N67 | C66 | C68 | C73 | 61.1° | 134.3° |
| N67 | C66 | C68 | C69 | 117.6° | 45.9° |
| N67 | C66 | C65 | C81 | 176.7° | 179.8° |
| N63 | C64 | C65 | C66 | 2.5° | 0.1° |
| N63 | C64 | N84 | C65 | 179.8° | 180.0° |
| N63 | C64 | N84 | C83 | 178.6° | 179.9° |
| N63 | C64 | C65 | C81 | 177.0° | 180.0° |
| C64 | N63 | C60 | H61 | 25.4° | 0.1° |
| C68 | C66 | C65 | C64 | 171.8° | 179.9° |
| C66 | C68 | C73 | C69 | 178.7° | 179.8° |
| C66 | C68 | C73 | C72 | 179.9° | 179.7° |
| C66 | C68 | C69 | C70 | 179.7° | 180.0° |
| C68 | C66 | C65 | C81 | 8.9° | 0.1° |
| C66 | C68 | C69 | H147 | 0.3° | 0.1° |
| C66 | C68 | C73 | H150 | 0.0° | 0.1° |
| C66 | C65 | C64 | N84 | 177.7° | 180.0° |
| C66 | C65 | C64 | C81 | 179.5° | 179.9° |
| C65 | C66 | C68 | C73 | 124.9° | 45.5° |
| C65 | C66 | C68 | C69 | 56.4° | 134.3° |
| C66 | C65 | C81 | N82 | 178.4° | 179.9° |
| C66 | C65 | C81 | N85 | 5.5° | 0.0° |
| N84 | C64 | C65 | C81 | 2.8° | 0.0° |
| C64 | N84 | C83 | N82 | 0.8° | 0.1° |
| C64 | N84 | C83 | H156 | 179.2° | 180.0° |
| C65 | C64 | N84 | C83 | 1.3° | 0.0° |
| C64 | C65 | C81 | N82 | 2.4° | 0.0° |
| C64 | C65 | C81 | N85 | 173.7° | 179.9° |
| C68 | C73 | C72 | H150 | 180.0° | 179.8° |
| C73 | C68 | C69 | C70 | 1.0° | 0.2° |
| C68 | C73 | C72 | C71 | 0.1° | 0.6° |
| C73 | C68 | C69 | H147 | 179.1° | 179.8° |
| C68 | C73 | C72 | H149 | 179.9° | 179.7° |
| C69 | C68 | C73 | C72 | 1.2° | 0.5° |
| C68 | C69 | C70 | H147 | 180.0° | 179.9° |
| C68 | C69 | C70 | C71 | 0.4° | 0.1° |
| C68 | C69 | C70 | H148 | 179.6° | 179.9° |
| C69 | C68 | C73 | H150 | 178.8° | 179.7° |
| C73 | C72 | C71 | H149 | 180.0° | 179.7° |
| C73 | C72 | C71 | C70 | 1.3° | 0.3° |
| C73 | C72 | C71 | O74 | 177.6° | 179.7° |
| C69 | C70 | C71 | C72 | 1.6° | 0.0° |
| C69 | C70 | C71 | H148 | 180.0° | 180.0° |
| C69 | C70 | C71 | O74 | 177.4° | 179.9° |
| C72 | C71 | C70 | O74 | 178.9° | 179.9° |
| C72 | C71 | O74 | C75 | 41.6° | 75.7° |
| C72 | C71 | C70 | H148 | 178.4° | 180.0° |
| C71 | C72 | C73 | H150 | 179.9° | 179.7° |
| C70 | C71 | O74 | C75 | 137.3° | 104.3° |
| C71 | C70 | C69 | H147 | 179.6° | 180.0° |
| C70 | C71 | C72 | H149 | 178.7° | 179.9° |
| C71 | O74 | C75 | C80 | 130.5° | 174.8° |
| C71 | O74 | C75 | C76 | 48.4° | 5.4° |
| O74 | C71 | C70 | H148 | 2.6° | 0.1° |
| O74 | C71 | C72 | H149 | 2.4° | 0.0° |
| N84 | C83 | N82 | H156 | 180.0° | 179.9° |
| N84 | C83 | N82 | C81 | 1.1° | 0.1° |
| O74 | C75 | C80 | C76 | 178.9° | 179.7° |
| O74 | C75 | C80 | C79 | 178.4° | 179.7° |
| O74 | C75 | C76 | C77 | 178.1° | 180.0° |
| O74 | C75 | C76 | H151 | 1.9° | 0.1° |
| O74 | C75 | C80 | H155 | 1.6° | 0.1° |
| C65 | C81 | N82 | C83 | 0.7° | 0.0° |
| C65 | C81 | N82 | N85 | 176.3° | 179.9° |
| C65 | C81 | N85 | H157 | 176.1° | 9.4° |
| C65 | C81 | N85 | H158 | 63.9° | 170.7° |
| C75 | C80 | C79 | H155 | 180.0° | 179.7° |
| C75 | C80 | C79 | C78 | 0.0° | 0.5° |
| C80 | C75 | C76 | C77 | 0.8° | 0.3° |
| C80 | C75 | C76 | H151 | 179.3° | 179.8° |
| C75 | C80 | C79 | H154 | 180.0° | 179.7° |
| C79 | C80 | C75 | C76 | 0.5° | 0.6° |
| C80 | C79 | C78 | H154 | 180.0° | 179.7° |
| C80 | C79 | C78 | C77 | 0.3° | 0.3° |
| C80 | C79 | C78 | H153 | 179.7° | 179.8° |
| C75 | C76 | C77 | H151 | 180.0° | 179.9° |
| C75 | C76 | C77 | C78 | 0.5° | 0.0° |
| C75 | C76 | C77 | H152 | 179.5° | 179.9° |
| C76 | C75 | C80 | H155 | 179.5° | 179.8° |
| C83 | N82 | C81 | N85 | 175.6° | 180.0° |
| C79 | C78 | C77 | C76 | 0.0° | 0.0° |
| C79 | C78 | C77 | H153 | 180.0° | 180.0° |
| C79 | C78 | C77 | H152 | 180.0° | 179.9° |
| C78 | C79 | C80 | H155 | 179.9° | 179.8° |
| C81 | N82 | C83 | H156 | 179.0° | 180.0° |
| N82 | C81 | N85 | H157 | 0.0° | 170.7° |
| N82 | C81 | N85 | H158 | 120.0° | 9.3° |
| C81 | N85 | H157 | H158 | 120.0° | 180.0° |
| C76 | C77 | C78 | H152 | 180.0° | 179.9° |
| C76 | C77 | C78 | H153 | 180.0° | 179.9° |
| C78 | C77 | C76 | H151 | 179.5° | 179.9° |
| C77 | C78 | C79 | H154 | 179.7° | 180.0° |
| H127 | C47 | C46 | H126 | 58.3° | 61.7° |
| H127 | C47 | C46 | H125 | 61.6° | 58.4° |
| H128 | C47 | C46 | H126 | 177.9° | 58.3° |
| H128 | C47 | C46 | H125 | 58.0° | 178.4° |
| H122 | C43 | C44 | H123 | 173.5° | 64.9° |
| H122 | C43 | C44 | H124 | 53.3° | 175.0° |
| H121 | C43 | C44 | H123 | 67.0° | 55.0° |
| H121 | C43 | C44 | H124 | 172.9° | 65.0° |
| H116 | C36 | C35 | H115 | 0.4° | 0.4° |
| H116 | C36 | C37 | H117 | 0.4° | 0.2° |
| H115 | C35 | C34 | H114 | 0.7° | 0.0° |
| H8 | C7 | C9 | H92 | 0.1° | 65.8° |
| H8 | C7 | N6 | H91 | 151.5° | 144.9° |
| H92 | C9 | C10 | H94 | 61.5° | 60.0° |
| H92 | C9 | C10 | H93 | 179.2° | 180.0° |
| H92 | C9 | C14 | H102 | 178.8° | 180.0° |
| H92 | C9 | C14 | H101 | 62.0° | 60.0° |
| H99 | C13 | C12 | H97 | 65.8° | 180.0° |
| H99 | C13 | C12 | H98 | 53.7° | 60.1° |
| H99 | C13 | C14 | H102 | 56.7° | 180.0° |
| H99 | C13 | C14 | H101 | 62.6° | 60.1° |
| H100 | C13 | C12 | H97 | 53.6° | 60.0° |
| H100 | C13 | C12 | H98 | 173.1° | 59.9° |
| H100 | C13 | C14 | H102 | 176.1° | 60.0° |
| H100 | C13 | C14 | H101 | 56.8° | 60.0° |
| H105 | C21 | C19 | H20 | 125.5° | 35.2° |
| H105 | C21 | C22 | H23 | 119.5° | 36.2° |
| H106 | C21 | C19 | H20 | 5.0° | 159.0° |
| H106 | C21 | C22 | H23 | 1.1° | 160.0° |
| H103 | C18 | C19 | H20 | 0.6° | 144.4° |
| H104 | C18 | C19 | H20 | 120.9° | 23.4° |
| H20 | C19 | N38 | H118 | 98.5° | 148.3° |
| H90 | C1 | H89 | H88 | 120.0° | 120.0° |
| H90 | C1 | C2 | H3 | 68.6° | 60.0° |
| H89 | C1 | C2 | H3 | 51.5° | 180.0° |
| H88 | C1 | C2 | H3 | 171.5° | 60.1° |
| H3 | C2 | N86 | H159 | 171.9° | 89.0° |
| H94 | C10 | C11 | H95 | 55.8° | 60.0° |
| H94 | C10 | C11 | H96 | 63.4° | 60.0° |
| H93 | C10 | C11 | H95 | 175.1° | 180.0° |
| H93 | C10 | C11 | H96 | 55.8° | 59.9° |
| H95 | C11 | C12 | H97 | 53.2° | 180.0° |
| H95 | C11 | C12 | H98 | 172.7° | 60.0° |
| H96 | C11 | C12 | H97 | 66.1° | 60.0° |
| H96 | C11 | C12 | H98 | 53.4° | 60.0° |
| H107 | N26 | C27 | H28 | 142.2° | 145.5° |
| H28 | C27 | C29 | H109 | 165.4° | 171.2° |
| H28 | C27 | C29 | H108 | 45.9° | 50.6° |
| H109 | C29 | C30 | H111 | 177.8° | 69.9° |
| H109 | C29 | C30 | H110 | 62.4° | 169.5° |
| H108 | C29 | C30 | H111 | 62.7° | 50.7° |
| H108 | C29 | C30 | H110 | 57.1° | 69.9° |
| H111 | C30 | C31 | H113 | 46.4° | 68.9° |
| H111 | C30 | C31 | H112 | 165.0° | 50.5° |
| H110 | C30 | C31 | H113 | 73.4° | 51.6° |
| H110 | C30 | C31 | H112 | 45.2° | 171.1° |
| H129 | C49 | C50 | H131 | 58.6° | 61.7° |
| H129 | C49 | C50 | H132 | 178.6° | 58.4° |
| H130 | C49 | C50 | H131 | 60.9° | 58.4° |
| H130 | C49 | C50 | H132 | 59.1° | 178.5° |
| H133 | C51 | C52 | H135 | 59.1° | 180.0° |
| H133 | C51 | C52 | H136 | 59.4° | 60.0° |
| H134 | C51 | C52 | H135 | 177.5° | 60.0° |
| H134 | C51 | C52 | H136 | 59.0° | 180.0° |
| H135 | C52 | C53 | H138 | 148.2° | 180.0° |
| H135 | C52 | C53 | H137 | 92.5° | 60.0° |
| H136 | C52 | C53 | H138 | 29.8° | 60.0° |
| H136 | C52 | C53 | H137 | 149.1° | NaN° |
| H140 | C57 | C58 | H142 | 176.7° | 54.4° |
| H140 | C57 | C58 | H141 | 57.1° | 65.6° |
| H139 | C57 | C58 | H142 | 56.7° | 174.8° |
| H139 | C57 | C58 | H141 | 62.9° | 54.8° |
| H142 | C58 | C59 | H143 | 50.2° | 61.5° |
| H142 | C58 | C59 | H144 | 169.4° | 178.6° |
| H141 | C58 | C59 | H143 | 69.4° | 58.6° |
| H141 | C58 | C59 | H144 | 49.9° | 61.3° |
| H143 | C59 | C60 | H61 | 50.9° | 61.4° |
| H144 | C59 | C60 | H61 | 170.1° | 178.6° |
| H61 | C60 | C62 | H145 | 176.1° | 175.1° |
| H61 | C60 | C62 | H146 | 56.1° | 54.6° |
| H147 | C69 | C70 | H148 | 0.4° | 0.0° |
| H149 | C72 | C73 | H150 | 0.1° | 0.0° |
| H151 | C76 | C77 | H152 | 0.5° | 0.0° |
| H152 | C77 | C78 | H153 | 0.0° | 0.0° |
| H153 | C78 | C79 | H154 | 0.3° | 0.0° |
| H154 | C79 | C80 | H155 | 0.0° | 0.1° |
| H159 | N86 | C87 | H160 | 59.3° | 56.1° |
| H159 | N86 | C87 | H161 | 179.4° | 176.1° |
| H159 | N86 | C87 | H162 | 60.7° | 64.0° |
| H160 | C87 | H161 | H162 | 120.0° | 120.0° |
