49Y
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C18 | C17 | sing | 1.53Å | 1.55Å | |
| C16 | C15 | sing | 1.53Å | 1.53Å | |
| C16 | C17 | sing | 1.53Å | 1.52Å | |
| C15 | C14 | sing | 1.53Å | 1.50Å | |
| C14 | C13 | sing | 1.53Å | 1.53Å | |
| C13 | C12 | sing | 1.53Å | 1.52Å | |
| C12 | C11 | sing | 1.53Å | 1.53Å | |
| C11 | C10 | sing | 1.53Å | 1.53Å | |
| C10 | C9 | sing | 1.53Å | 1.52Å | |
| C9 | C8 | sing | 1.53Å | 1.53Å | |
| C8 | C7 | sing | 1.53Å | 1.52Å | |
| C7 | C6 | sing | 1.53Å | 1.52Å | |
| O4 | C4 | sing | 1.43Å | 1.43Å | |
| C5 | C6 | sing | 1.53Å | 1.55Å | |
| C5 | C4 | sing | 1.53Å | 1.50Å | |
| C4 | C3 | sing | 1.53Å | 1.53Å | |
| C3 | O3 | sing | 1.43Å | 1.41Å | |
| C3 | C2 | sing | 1.53Å | 1.55Å | |
| O2A | C2A | sing | 1.43Å | 1.43Å | |
| CAE | CAD | doub | 1.31Å | 1.42Å | |
| CAE | CAF | sing | 1.51Å | 1.56Å | |
| O3A | C3A | sing | 1.43Å | 1.43Å | |
| CBY | CAH | sing | 1.53Å | 1.55Å | |
| CBY | CBZ | sing | 1.53Å | 1.55Å | |
| CAD | CAC | sing | 1.51Å | 1.52Å | |
| CAG | CAH | sing | 1.53Å | 1.51Å | |
| CAG | CAF | sing | 1.53Å | 1.54Å | |
| N2 | C2 | sing | 1.46Å | 1.48Å | |
| N2 | CAA | sing | 1.35Å | 1.37Å | |
| CCA | CBZ | sing | 1.53Å | 1.49Å | |
| CCA | CCB | sing | 1.53Å | 1.49Å | |
| C3A | C2A | sing | 1.53Å | 1.49Å | |
| C3A | C4A | sing | 1.53Å | 1.49Å | |
| C2 | C1 | sing | 1.53Å | 1.53Å | |
| C2A | C1A | sing | 1.53Å | 1.51Å | |
| O1A | C1A | sing | 1.43Å | 1.48Å | |
| O1A | C1 | sing | 1.43Å | 1.44Å | |
| CBZ | CCB | sing | 1.53Å | 1.50Å | |
| CAB | CAC | sing | 1.53Å | 1.52Å | |
| CAB | CAA | sing | 1.51Å | 1.55Å | |
| CCB | CCC | sing | 1.53Å | 1.57Å | |
| CAA | OAA | doub | 1.21Å | 1.23Å | |
| C1A | O6A | sing | 1.43Å | 1.45Å | |
| C4A | O4A | sing | 1.43Å | 1.44Å | |
| C4A | C5M | sing | 1.53Å | 1.49Å | |
| CCC | CCD | sing | 1.53Å | 1.55Å | |
| O6A | C5M | sing | 1.43Å | 1.46Å | |
| C5M | C6A | sing | 1.53Å | 1.51Å | |
| CCD | CCE | sing | 1.53Å | 1.54Å | |
| C6A | O5A | sing | 1.43Å | 1.44Å | |
| CCE | CCF | sing | 1.53Å | 1.55Å | |
| CCG | CCF | sing | 1.53Å | 1.55Å | |
| CCG | CCH | sing | 1.53Å | 1.57Å | |
| CCK | CCL | sing | 1.53Å | 1.55Å | |
| CCK | CCJ | sing | 1.53Å | 1.53Å | |
| CCH | CCI | sing | 1.53Å | 1.56Å | |
| CCI | CCJ | sing | 1.53Å | 1.53Å | |
| C4 | H1 | sing | 1.09Å | 1.10Å | |
| C14 | H2 | sing | 1.09Å | 1.10Å | |
| C14 | H3 | sing | 1.09Å | 1.10Å | |
| C5 | H4 | sing | 1.09Å | 1.10Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| C6 | H7 | sing | 1.09Å | 1.10Å | |
| C11 | H8 | sing | 1.09Å | 1.10Å | |
| C11 | H9 | sing | 1.09Å | 1.10Å | |
| C7 | H10 | sing | 1.09Å | 1.10Å | |
| C7 | H11 | sing | 1.09Å | 1.10Å | |
| C8 | H12 | sing | 1.09Å | 1.10Å | |
| C8 | H13 | sing | 1.09Å | 1.10Å | |
| C9 | H14 | sing | 1.09Å | 1.10Å | |
| C9 | H15 | sing | 1.09Å | 1.10Å | |
| C10 | H16 | sing | 1.09Å | 1.10Å | |
| C10 | H17 | sing | 1.09Å | 1.10Å | |
| C12 | H18 | sing | 1.09Å | 1.10Å | |
| C12 | H19 | sing | 1.09Å | 1.10Å | |
| C13 | H20 | sing | 1.09Å | 1.10Å | |
| C13 | H21 | sing | 1.09Å | 1.10Å | |
| N2 | H22 | sing | 0.97Å | 1.00Å | |
| C3 | H23 | sing | 1.09Å | 1.10Å | |
| CCL | H24 | sing | 1.09Å | 1.10Å | |
| CCL | H25 | sing | 1.09Å | 1.10Å | |
| CCL | H26 | sing | 1.09Å | 1.10Å | |
| CCK | H27 | sing | 1.09Å | 1.10Å | |
| CCK | H28 | sing | 1.09Å | 1.10Å | |
| CCJ | H29 | sing | 1.09Å | 1.10Å | |
| CCJ | H30 | sing | 1.09Å | 1.10Å | |
| CCI | H31 | sing | 1.09Å | 1.10Å | |
| CCI | H32 | sing | 1.09Å | 1.10Å | |
| CCH | H33 | sing | 1.09Å | 1.10Å | |
| CCH | H34 | sing | 1.09Å | 1.10Å | |
| CCG | H35 | sing | 1.09Å | 1.10Å | |
| CCG | H36 | sing | 1.09Å | 1.10Å | |
| CCF | H37 | sing | 1.09Å | 1.10Å | |
| CCF | H38 | sing | 1.09Å | 1.10Å | |
| CCE | H39 | sing | 1.09Å | 1.10Å | |
| CCE | H40 | sing | 1.09Å | 1.10Å | |
| CCD | H41 | sing | 1.09Å | 1.10Å | |
| CCD | H42 | sing | 1.09Å | 1.10Å | |
| CCC | H43 | sing | 1.09Å | 1.10Å | |
| CCC | H44 | sing | 1.09Å | 1.10Å | |
| CCB | H45 | sing | 1.09Å | 1.10Å | |
| CCA | H46 | sing | 1.09Å | 1.10Å | |
| CCA | H47 | sing | 1.09Å | 1.10Å | |
| CBZ | H48 | sing | 1.09Å | 1.10Å | |
| CBY | H49 | sing | 1.09Å | 1.10Å | |
| CBY | H50 | sing | 1.09Å | 1.10Å | |
| CAH | H51 | sing | 1.09Å | 1.10Å | |
| CAH | H52 | sing | 1.09Å | 1.10Å | |
| CAG | H53 | sing | 1.09Å | 1.10Å | |
| CAG | H54 | sing | 1.09Å | 1.10Å | |
| CAF | H55 | sing | 1.09Å | 1.10Å | |
| CAF | H56 | sing | 1.09Å | 1.10Å | |
| CAE | H57 | sing | 1.08Å | 1.08Å | |
| CAD | H58 | sing | 1.08Å | 1.08Å | |
| CAC | H59 | sing | 1.09Å | 1.10Å | |
| CAC | H60 | sing | 1.09Å | 1.10Å | |
| CAB | H61 | sing | 1.09Å | 1.10Å | |
| CAB | H62 | sing | 1.09Å | 1.10Å | |
| C2 | H63 | sing | 1.09Å | 1.10Å | |
| C1 | H64 | sing | 1.09Å | 1.10Å | |
| C1 | H65 | sing | 1.09Å | 1.10Å | |
| C1A | H66 | sing | 1.09Å | 1.10Å | |
| C5M | H67 | sing | 1.09Å | 1.10Å | |
| C6A | H68 | sing | 1.09Å | 1.10Å | |
| C6A | H69 | sing | 1.09Å | 1.10Å | |
| O5A | H70 | sing | 0.97Å | 0.95Å | |
| C4A | H71 | sing | 1.09Å | 1.10Å | |
| O4A | H72 | sing | 0.97Å | 0.95Å | |
| C3A | H73 | sing | 1.09Å | 1.10Å | |
| O3A | H74 | sing | 0.97Å | 0.95Å | |
| C2A | H75 | sing | 1.09Å | 1.10Å | |
| O2A | H76 | sing | 0.97Å | 0.95Å | |
| O3 | H77 | sing | 0.97Å | 0.95Å | |
| O4 | H78 | sing | 0.97Å | 0.95Å | |
| C15 | H79 | sing | 1.09Å | 1.10Å | |
| C15 | H80 | sing | 1.09Å | 1.10Å | |
| C16 | H81 | sing | 1.09Å | 1.10Å | |
| C16 | H82 | sing | 1.09Å | 1.10Å | |
| C17 | H83 | sing | 1.09Å | 1.10Å | |
| C17 | H84 | sing | 1.09Å | 1.10Å | |
| C18 | H85 | sing | 1.09Å | 1.10Å | |
| C18 | H86 | sing | 1.09Å | 1.10Å | |
| C18 | H87 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C18 | C17 | C16 | 107.6° | 109.5° |
| C18 | C17 | H83 | 109.9° | 109.4° |
| C18 | C17 | H84 | 109.9° | 109.5° |
| C17 | C18 | H85 | 109.5° | 109.5° |
| C17 | C18 | H86 | 109.4° | 109.5° |
| C17 | C18 | H87 | 109.5° | 109.5° |
| C15 | C16 | C17 | 107.4° | 109.5° |
| C16 | C15 | C14 | 107.0° | 109.5° |
| C16 | C15 | H79 | 110.1° | 109.5° |
| C16 | C15 | H80 | 110.1° | 109.5° |
| C15 | C16 | H81 | 110.0° | 109.4° |
| C15 | C16 | H82 | 110.0° | 109.5° |
| C17 | C16 | H81 | 110.0° | 109.5° |
| C17 | C16 | H82 | 110.0° | 109.5° |
| C16 | C17 | H83 | 109.9° | 109.5° |
| C16 | C17 | H84 | 109.9° | 109.5° |
| C15 | C14 | C13 | 106.0° | 109.5° |
| C15 | C14 | H2 | 110.3° | 109.4° |
| C15 | C14 | H3 | 110.3° | 109.5° |
| C14 | C15 | H79 | 110.1° | 109.4° |
| C14 | C15 | H80 | 110.1° | 109.5° |
| C14 | C13 | C12 | 102.7° | 109.5° |
| C13 | C14 | H2 | 110.3° | 109.5° |
| C13 | C14 | H3 | 110.3° | 109.5° |
| C14 | C13 | H20 | 111.1° | 109.5° |
| C14 | C13 | H21 | 111.1° | 109.5° |
| C13 | C12 | C11 | 109.9° | 109.5° |
| C13 | C12 | H18 | 109.4° | 109.5° |
| C13 | C12 | H19 | 109.4° | 109.4° |
| C12 | C13 | H20 | 111.2° | 109.4° |
| C12 | C13 | H21 | 111.1° | 109.5° |
| C12 | C11 | C10 | 100.6° | 109.4° |
| C12 | C11 | H8 | 111.7° | 109.5° |
| C12 | C11 | H9 | 111.6° | 109.5° |
| C11 | C12 | H18 | 109.3° | 109.5° |
| C11 | C12 | H19 | 109.4° | 109.4° |
| C11 | C10 | C9 | 107.8° | 109.4° |
| C10 | C11 | H8 | 111.6° | 109.5° |
| C10 | C11 | H9 | 111.6° | 109.5° |
| C11 | C10 | H16 | 109.9° | 109.5° |
| C11 | C10 | H17 | 109.9° | 109.5° |
| C10 | C9 | C8 | 108.9° | 109.5° |
| C10 | C9 | H14 | 109.6° | 109.5° |
| C10 | C9 | H15 | 109.6° | 109.5° |
| C9 | C10 | H16 | 109.9° | 109.4° |
| C9 | C10 | H17 | 109.9° | 109.5° |
| C9 | C8 | C7 | 109.8° | 109.5° |
| C9 | C8 | H12 | 109.4° | 109.5° |
| C9 | C8 | H13 | 109.4° | 109.5° |
| C8 | C9 | H14 | 109.6° | 109.5° |
| C8 | C9 | H15 | 109.6° | 109.4° |
| C8 | C7 | C6 | 107.0° | 109.5° |
| C8 | C7 | H10 | 110.1° | 109.4° |
| C8 | C7 | H11 | 110.1° | 109.4° |
| C7 | C8 | H12 | 109.4° | 109.4° |
| C7 | C8 | H13 | 109.4° | 109.4° |
| C7 | C6 | C5 | 110.3° | 109.4° |
| C7 | C6 | H6 | 109.3° | 109.5° |
| C7 | C6 | H7 | 109.2° | 109.5° |
| C6 | C7 | H10 | 110.1° | 109.5° |
| C6 | C7 | H11 | 110.1° | 109.5° |
| O4 | C4 | C5 | 102.8° | 109.5° |
| O4 | C4 | C3 | 109.1° | 109.5° |
| O4 | C4 | H1 | 110.9° | 109.5° |
| C4 | O4 | H78 | 109.5° | 114.0° |
| C6 | C5 | C4 | 105.9° | 109.5° |
| C6 | C5 | H4 | 110.4° | 109.5° |
| C6 | C5 | H5 | 110.4° | 109.5° |
| C5 | C6 | H6 | 109.2° | 109.5° |
| C5 | C6 | H7 | 109.2° | 109.5° |
| C5 | C4 | C3 | 114.8° | 109.5° |
| C5 | C4 | H1 | 109.8° | 109.5° |
| C4 | C5 | H4 | 110.4° | 109.5° |
| C4 | C5 | H5 | 110.4° | 109.4° |
| C4 | C3 | O3 | 102.0° | 109.4° |
| C4 | C3 | C2 | 117.1° | 109.5° |
| C3 | C4 | H1 | 109.3° | 109.4° |
| C4 | C3 | H23 | 109.9° | 109.5° |
| O3 | C3 | C2 | 106.2° | 109.5° |
| O3 | C3 | H23 | 111.7° | 109.4° |
| C3 | O3 | H77 | 109.5° | 114.1° |
| C3 | C2 | N2 | 113.0° | 109.5° |
| C3 | C2 | C1 | 112.6° | 109.5° |
| C2 | C3 | H23 | 109.7° | 109.5° |
| C3 | C2 | H63 | 107.6° | 109.5° |
| O2A | C2A | C3A | 108.7° | 109.5° |
| O2A | C2A | C1A | 109.6° | 109.5° |
| O2A | C2A | H75 | 110.6° | 109.5° |
| C2A | O2A | H76 | 109.5° | 114.0° |
| CAD | CAE | CAF | 125.6° | 120.0° |
| CAE | CAD | CAC | 124.8° | 120.0° |
| CAD | CAE | H57 | 117.2° | 120.0° |
| CAE | CAD | H58 | 117.6° | 120.0° |
| CAE | CAF | CAG | 111.8° | 109.5° |
| CAE | CAF | H55 | 108.9° | 109.5° |
| CAE | CAF | H56 | 108.9° | 109.4° |
| CAF | CAE | H57 | 117.2° | 120.0° |
| O3A | C3A | C2A | 109.1° | 109.6° |
| O3A | C3A | C4A | 108.0° | 109.5° |
| O3A | C3A | H73 | 110.2° | 109.7° |
| C3A | O3A | H74 | 109.5° | 114.0° |
| CAH | CBY | CBZ | 110.0° | 109.5° |
| CBY | CAH | CAG | 112.3° | 109.5° |
| CAH | CBY | H49 | 109.3° | 109.5° |
| CAH | CBY | H50 | 109.3° | 109.5° |
| CBY | CAH | H51 | 108.8° | 109.4° |
| CBY | CAH | H52 | 108.8° | 109.5° |
| CBY | CBZ | CCA | 115.7° | 117.5° |
| CBY | CBZ | CCB | 123.1° | 117.5° |
| CBY | CBZ | H48 | 114.9° | 115.5° |
| CBZ | CBY | H49 | 109.3° | 109.5° |
| CBZ | CBY | H50 | 109.4° | 109.5° |
| CAD | CAC | CAB | 110.1° | 109.4° |
| CAC | CAD | H58 | 117.6° | 120.0° |
| CAD | CAC | H59 | 109.3° | 109.5° |
| CAD | CAC | H60 | 109.3° | 109.4° |
| CAH | CAG | CAF | 105.5° | 109.5° |
| CAG | CAH | H51 | 108.8° | 109.4° |
| CAG | CAH | H52 | 108.7° | 109.5° |
| CAH | CAG | H53 | 110.5° | 109.4° |
| CAH | CAG | H54 | 110.5° | 109.5° |
| CAF | CAG | H53 | 110.5° | 109.5° |
| CAF | CAG | H54 | 110.5° | 109.5° |
| CAG | CAF | H55 | 108.9° | 109.5° |
| CAG | CAF | H56 | 108.9° | 109.5° |
| C2 | N2 | CAA | 121.1° | 120.0° |
| N2 | C2 | C1 | 107.2° | 109.5° |
| C2 | N2 | H22 | 119.4° | 120.0° |
| N2 | C2 | H63 | 108.5° | 109.5° |
| N2 | CAA | CAB | 118.1° | 120.0° |
| N2 | CAA | OAA | 123.5° | 120.0° |
| CAA | N2 | H22 | 119.4° | 120.0° |
| CBZ | CCA | CCB | 60.7° | 60.0° |
| CCA | CBZ | CCB | 59.8° | 60.0° |
| CBZ | CCA | H46 | 119.9° | 117.5° |
| CBZ | CCA | H47 | 119.9° | 117.5° |
| CCA | CBZ | H48 | 116.1° | 117.5° |
| CCA | CCB | CBZ | 59.5° | 60.0° |
| CCA | CCB | CCC | 121.7° | 117.5° |
| CCA | CCB | H45 | 116.3° | 117.6° |
| CCB | CCA | H46 | 119.9° | 117.5° |
| CCB | CCA | H47 | 119.9° | 117.5° |
| C2A | C3A | C4A | 111.0° | 109.0° |
| C3A | C2A | C1A | 108.8° | 109.2° |
| C2A | C3A | H73 | 109.3° | 109.6° |
| C3A | C2A | H75 | 109.7° | 109.5° |
| C3A | C4A | O4A | 109.6° | 109.5° |
| C3A | C4A | C5M | 110.1° | 109.2° |
| C3A | C4A | H71 | 108.6° | 109.5° |
| C4A | C3A | H73 | 109.2° | 109.5° |
| C2 | C1 | O1A | 107.5° | 109.4° |
| C1 | C2 | H63 | 107.8° | 109.4° |
| C2 | C1 | H64 | 110.0° | 109.5° |
| C2 | C1 | H65 | 109.9° | 109.5° |
| C2A | C1A | O1A | 108.3° | 109.5° |
| C2A | C1A | O6A | 106.8° | 109.4° |
| C2A | C1A | H66 | 108.0° | 109.5° |
| C1A | C2A | H75 | 109.4° | 109.6° |
| C1A | O1A | C1 | 116.5° | 114.0° |
| O1A | C1A | O6A | 116.2° | 109.5° |
| O1A | C1A | H66 | 108.5° | 109.5° |
| O1A | C1 | H64 | 110.0° | 109.5° |
| O1A | C1 | H65 | 110.0° | 109.5° |
| CBZ | CCB | CCC | 117.0° | 117.4° |
| CBZ | CCB | H45 | 116.1° | 117.5° |
| CCB | CBZ | H48 | 115.8° | 117.6° |
| CAC | CAB | CAA | 107.8° | 109.5° |
| CAB | CAC | H59 | 109.3° | 109.5° |
| CAB | CAC | H60 | 109.3° | 109.5° |
| CAC | CAB | H61 | 109.9° | 109.5° |
| CAC | CAB | H62 | 109.9° | 109.5° |
| CAB | CAA | OAA | 118.3° | 119.9° |
| CAA | CAB | H61 | 109.9° | 109.5° |
| CAA | CAB | H62 | 109.9° | 109.5° |
| CCB | CCC | CCD | 114.8° | 109.4° |
| CCB | CCC | H43 | 108.1° | 109.5° |
| CCB | CCC | H44 | 108.1° | 109.5° |
| CCC | CCB | H45 | 114.9° | 115.5° |
| C1A | O6A | C5M | 114.5° | 114.1° |
| O6A | C1A | H66 | 108.7° | 109.4° |
| O4A | C4A | C5M | 110.5° | 109.5° |
| O4A | C4A | H71 | 109.4° | 109.5° |
| C4A | O4A | H72 | 109.5° | 114.0° |
| C4A | C5M | O6A | 110.7° | 109.4° |
| C4A | C5M | C6A | 109.5° | 109.5° |
| C4A | C5M | H67 | 110.0° | 109.5° |
| C5M | C4A | H71 | 108.6° | 109.6° |
| CCC | CCD | CCE | 110.2° | 109.5° |
| CCC | CCD | H41 | 109.3° | 109.5° |
| CCC | CCD | H42 | 109.3° | 109.5° |
| CCD | CCC | H43 | 108.1° | 109.4° |
| CCD | CCC | H44 | 108.1° | 109.5° |
| O6A | C5M | C6A | 106.3° | 109.5° |
| O6A | C5M | H67 | 110.4° | 109.5° |
| C5M | C6A | O5A | 105.3° | 109.5° |
| C6A | C5M | H67 | 109.8° | 109.5° |
| C5M | C6A | H68 | 110.5° | 109.5° |
| C5M | C6A | H69 | 110.5° | 109.5° |
| CCD | CCE | CCF | 112.9° | 109.5° |
| CCD | CCE | H39 | 108.6° | 109.5° |
| CCD | CCE | H40 | 108.6° | 109.5° |
| CCE | CCD | H41 | 109.3° | 109.4° |
| CCE | CCD | H42 | 109.3° | 109.5° |
| O5A | C6A | H68 | 110.5° | 109.5° |
| O5A | C6A | H69 | 110.5° | 109.5° |
| C6A | O5A | H70 | 109.5° | 114.0° |
| CCE | CCF | CCG | 112.2° | 109.5° |
| CCE | CCF | H37 | 108.8° | 109.4° |
| CCE | CCF | H38 | 108.8° | 109.4° |
| CCF | CCE | H39 | 108.6° | 109.5° |
| CCF | CCE | H40 | 108.6° | 109.4° |
| CCF | CCG | CCH | 113.1° | 109.5° |
| CCF | CCG | H35 | 108.6° | 109.5° |
| CCF | CCG | H36 | 108.6° | 109.5° |
| CCG | CCF | H37 | 108.8° | 109.5° |
| CCG | CCF | H38 | 108.8° | 109.5° |
| CCG | CCH | CCI | 112.7° | 109.5° |
| CCG | CCH | H33 | 108.7° | 109.4° |
| CCG | CCH | H34 | 108.7° | 109.5° |
| CCH | CCG | H35 | 108.5° | 109.4° |
| CCH | CCG | H36 | 108.6° | 109.5° |
| CCL | CCK | CCJ | 111.4° | 109.5° |
| CCK | CCL | H24 | 109.5° | 109.4° |
| CCK | CCL | H25 | 109.5° | 109.5° |
| CCK | CCL | H26 | 109.5° | 109.5° |
| CCL | CCK | H27 | 109.0° | 109.4° |
| CCL | CCK | H28 | 109.0° | 109.5° |
| CCK | CCJ | CCI | 110.1° | 109.5° |
| CCJ | CCK | H27 | 109.0° | 109.5° |
| CCJ | CCK | H28 | 109.0° | 109.5° |
| CCK | CCJ | H29 | 109.3° | 109.4° |
| CCK | CCJ | H30 | 109.3° | 109.5° |
| CCH | CCI | CCJ | 112.3° | 109.5° |
| CCH | CCI | H31 | 108.7° | 109.4° |
| CCH | CCI | H32 | 108.8° | 109.5° |
| CCI | CCH | H33 | 108.6° | 109.4° |
| CCI | CCH | H34 | 108.6° | 109.5° |
| CCI | CCJ | H29 | 109.3° | 109.4° |
| CCI | CCJ | H30 | 109.3° | 109.5° |
| CCJ | CCI | H31 | 108.8° | 109.4° |
| CCJ | CCI | H32 | 108.7° | 109.5° |
| H2 | C14 | H3 | 109.5° | 109.4° |
| H4 | C5 | H5 | 109.5° | 109.4° |
| H6 | C6 | H7 | 109.5° | 109.5° |
| H8 | C11 | H9 | 109.5° | 109.5° |
| H10 | C7 | H11 | 109.5° | 109.5° |
| H12 | C8 | H13 | 109.5° | 109.5° |
| H14 | C9 | H15 | 109.5° | 109.4° |
| H16 | C10 | H17 | 109.4° | 109.5° |
| H18 | C12 | H19 | 109.5° | 109.5° |
| H20 | C13 | H21 | 109.5° | 109.4° |
| H24 | CCL | H25 | 109.5° | 109.5° |
| H24 | CCL | H26 | 109.5° | 109.5° |
| H25 | CCL | H26 | 109.5° | 109.5° |
| H27 | CCK | H28 | 109.5° | 109.5° |
| H29 | CCJ | H30 | 109.5° | 109.4° |
| H31 | CCI | H32 | 109.5° | 109.4° |
| H33 | CCH | H34 | 109.5° | 109.5° |
| H35 | CCG | H36 | 109.5° | 109.5° |
| H37 | CCF | H38 | 109.4° | 109.5° |
| H39 | CCE | H40 | 109.5° | 109.5° |
| H41 | CCD | H42 | 109.5° | 109.5° |
| H43 | CCC | H44 | 109.5° | 109.5° |
| H46 | CCA | H47 | 109.5° | 115.6° |
| H49 | CBY | H50 | 109.5° | 109.4° |
| H51 | CAH | H52 | 109.5° | 109.5° |
| H53 | CAG | H54 | 109.5° | 109.4° |
| H55 | CAF | H56 | 109.4° | 109.5° |
| H59 | CAC | H60 | 109.5° | 109.5° |
| H61 | CAB | H62 | 109.5° | 109.4° |
| H64 | C1 | H65 | 109.5° | 109.5° |
| H68 | C6A | H69 | 109.5° | 109.4° |
| H79 | C15 | H80 | 109.5° | 109.5° |
| H81 | C16 | H82 | 109.5° | 109.5° |
| H83 | C17 | H84 | 109.5° | 109.5° |
| H85 | C18 | H86 | 109.5° | 109.5° |
| H85 | C18 | H87 | 109.5° | 109.4° |
| H86 | C18 | H87 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C18 | C17 | C16 | C15 | 161.4° | 180.0° |
| C18 | C17 | C16 | H83 | 119.7° | 119.9° |
| C18 | C17 | C16 | H84 | 119.7° | 120.0° |
| C18 | C17 | C16 | H81 | 41.7° | 60.1° |
| C18 | C17 | C16 | H82 | 79.0° | 60.0° |
| C18 | C17 | H83 | H84 | 120.9° | 120.0° |
| C17 | C18 | H85 | H86 | 120.0° | 120.0° |
| C17 | C18 | H85 | H87 | 120.0° | 120.0° |
| C17 | C18 | H86 | H87 | 120.0° | 120.0° |
| C15 | C16 | C17 | H81 | 119.6° | 119.9° |
| C15 | C16 | C17 | H82 | 119.7° | 120.0° |
| C16 | C15 | C14 | H79 | 119.6° | 120.0° |
| C16 | C15 | C14 | H80 | 119.6° | 120.0° |
| C16 | C15 | C14 | C13 | 166.1° | 180.0° |
| C16 | C15 | C14 | H2 | 74.4° | 60.0° |
| C16 | C15 | C14 | H3 | 46.7° | 59.9° |
| C16 | C15 | H79 | H80 | 121.1° | 120.0° |
| C15 | C16 | H81 | H82 | 120.9° | 120.0° |
| C15 | C16 | C17 | H83 | 41.7° | 60.1° |
| C15 | C16 | C17 | H84 | 78.9° | 60.0° |
| C17 | C16 | C15 | C14 | 77.6° | 180.0° |
| C17 | C16 | C15 | H79 | 162.8° | 60.1° |
| C17 | C16 | C15 | H80 | 42.0° | 59.9° |
| C17 | C16 | H81 | H82 | 121.0° | 120.0° |
| C16 | C17 | H83 | H84 | 120.8° | 120.0° |
| C16 | C17 | C18 | H85 | 180.0° | 179.9° |
| C16 | C17 | C18 | H86 | 60.0° | 60.0° |
| C16 | C17 | C18 | H87 | 60.0° | 59.9° |
| C15 | C14 | C13 | H2 | 119.5° | 120.0° |
| C15 | C14 | C13 | H3 | 119.5° | 120.0° |
| C15 | C14 | C13 | C12 | 176.3° | 180.0° |
| C15 | C14 | H2 | H3 | 121.6° | 119.9° |
| C15 | C14 | C13 | H20 | 57.4° | 60.0° |
| C15 | C14 | C13 | H21 | 64.8° | 60.0° |
| C14 | C15 | H79 | H80 | 121.1° | 120.0° |
| C14 | C15 | C16 | H81 | 162.8° | 60.0° |
| C14 | C15 | C16 | H82 | 42.1° | 60.0° |
| C14 | C13 | C12 | H20 | 118.9° | 120.0° |
| C14 | C13 | C12 | H21 | 118.9° | 120.0° |
| C14 | C13 | C12 | C11 | 155.7° | 180.0° |
| C13 | C14 | H2 | H3 | 121.6° | 120.0° |
| C14 | C13 | C12 | H18 | 35.7° | 60.0° |
| C14 | C13 | C12 | H19 | 84.2° | 60.0° |
| C14 | C13 | H20 | H21 | 123.2° | 120.0° |
| C13 | C14 | C15 | H79 | 46.5° | 60.0° |
| C13 | C14 | C15 | H80 | 74.2° | 60.0° |
| C13 | C12 | C11 | H18 | 120.1° | 120.0° |
| C13 | C12 | C11 | H19 | 120.1° | 119.9° |
| C13 | C12 | C11 | C10 | 153.0° | 180.0° |
| C12 | C13 | C14 | H2 | 64.2° | 60.0° |
| C12 | C13 | C14 | H3 | 56.9° | 60.0° |
| C13 | C12 | C11 | H8 | 88.4° | 60.0° |
| C13 | C12 | C11 | H9 | 34.5° | 60.0° |
| C13 | C12 | H18 | H19 | 119.8° | 120.0° |
| C12 | C13 | H20 | H21 | 123.1° | 120.0° |
| C12 | C11 | C10 | H8 | 118.6° | 120.0° |
| C12 | C11 | C10 | H9 | 118.6° | 120.0° |
| C12 | C11 | C10 | C9 | 164.5° | NaN° |
| C12 | C11 | H8 | H9 | 124.1° | 120.0° |
| C12 | C11 | C10 | H16 | 75.8° | 60.1° |
| C12 | C11 | C10 | H17 | 44.7° | 60.0° |
| C11 | C12 | H18 | H19 | 119.8° | 120.0° |
| C11 | C12 | C13 | H20 | 85.4° | 60.0° |
| C11 | C12 | C13 | H21 | 36.8° | 59.9° |
| C11 | C10 | C9 | H16 | 119.8° | 120.0° |
| C11 | C10 | C9 | H17 | 119.8° | 120.0° |
| C11 | C10 | C9 | C8 | 125.0° | 180.0° |
| C10 | C11 | H8 | H9 | 124.1° | 120.0° |
| C11 | C10 | C9 | H14 | 115.1° | 60.0° |
| C11 | C10 | C9 | H15 | 5.1° | 60.0° |
| C11 | C10 | H16 | H17 | 120.8° | 120.1° |
| C10 | C11 | C12 | H18 | 33.0° | 60.0° |
| C10 | C11 | C12 | H19 | 86.9° | 60.0° |
| C10 | C9 | C8 | H14 | 119.9° | 120.1° |
| C10 | C9 | C8 | H15 | 119.9° | 120.0° |
| C10 | C9 | C8 | C7 | 56.1° | 180.0° |
| C9 | C10 | C11 | H8 | 45.9° | 60.0° |
| C9 | C10 | C11 | H9 | 77.0° | 60.0° |
| C10 | C9 | C8 | H12 | 176.1° | 60.0° |
| C10 | C9 | C8 | H13 | 64.0° | 60.0° |
| C10 | C9 | H14 | H15 | 120.3° | 120.0° |
| C9 | C10 | H16 | H17 | 120.8° | 120.0° |
| C9 | C8 | C7 | H12 | 120.0° | 120.1° |
| C9 | C8 | C7 | H13 | 120.0° | 120.0° |
| C9 | C8 | C7 | C6 | 143.1° | 180.0° |
| C9 | C8 | C7 | H10 | 97.3° | 59.9° |
| C9 | C8 | C7 | H11 | 23.5° | 60.0° |
| C9 | C8 | H12 | H13 | 119.8° | 120.1° |
| C8 | C9 | H14 | H15 | 120.3° | 119.9° |
| C8 | C9 | C10 | H16 | 5.2° | 60.1° |
| C8 | C9 | C10 | H17 | 115.3° | 60.0° |
| C8 | C7 | C6 | H10 | 119.6° | 120.0° |
| C8 | C7 | C6 | H11 | 119.6° | 119.9° |
| C8 | C7 | C6 | C5 | 57.7° | 180.0° |
| C8 | C7 | C6 | H6 | 177.9° | 60.0° |
| C8 | C7 | C6 | H7 | 62.4° | 60.0° |
| C8 | C7 | H10 | H11 | 121.1° | 119.9° |
| C7 | C8 | H12 | H13 | 119.9° | 119.9° |
| C7 | C8 | C9 | H14 | 63.8° | 59.9° |
| C7 | C8 | C9 | H15 | 176.0° | 60.0° |
| C7 | C6 | C5 | H6 | 120.1° | 120.0° |
| C7 | C6 | C5 | H7 | 120.1° | 120.0° |
| C7 | C6 | C5 | C4 | 106.3° | 180.0° |
| C7 | C6 | C5 | H4 | 134.2° | 59.9° |
| C7 | C6 | C5 | H5 | 13.1° | 60.0° |
| C7 | C6 | H6 | H7 | 119.6° | 120.0° |
| C6 | C7 | H10 | H11 | 121.1° | 120.1° |
| C6 | C7 | C8 | H12 | 23.1° | 60.0° |
| C6 | C7 | C8 | H13 | 96.8° | 60.0° |
| O4 | C4 | C5 | C6 | 107.6° | 65.0° |
| O4 | C4 | C5 | C3 | 118.3° | 120.0° |
| O4 | C4 | C5 | H1 | 118.1° | 120.0° |
| O4 | C4 | C3 | H1 | 121.4° | 120.0° |
| O4 | C4 | C3 | O3 | 62.0° | 61.1° |
| O4 | C4 | C3 | C2 | 177.5° | 58.9° |
| O4 | C4 | C5 | H4 | 133.0° | 55.0° |
| O4 | C4 | C5 | H5 | 11.8° | 175.0° |
| O4 | C4 | C3 | H23 | 56.6° | 178.9° |
| C6 | C5 | C4 | H4 | 119.4° | 120.1° |
| C6 | C5 | C4 | H5 | 119.4° | 120.0° |
| C6 | C5 | C4 | C3 | 134.1° | 175.0° |
| C6 | C5 | C4 | H1 | 10.5° | 55.0° |
| C6 | C5 | H4 | H5 | 121.7° | 120.0° |
| C5 | C6 | H6 | H7 | 119.6° | 120.0° |
| C5 | C6 | C7 | H10 | 61.9° | 60.0° |
| C5 | C6 | C7 | H11 | 177.4° | 60.1° |
| C5 | C4 | C3 | H1 | 123.9° | 120.0° |
| C5 | C4 | C3 | O3 | 176.8° | 58.9° |
| C5 | C4 | C3 | C2 | 67.8° | 178.9° |
| C4 | C5 | H4 | H5 | 121.7° | 120.0° |
| C4 | C5 | C6 | H6 | 13.8° | 60.0° |
| C4 | C5 | C6 | H7 | 133.5° | 60.0° |
| C5 | C4 | C3 | H23 | 58.2° | 61.1° |
| C5 | C4 | O4 | H78 | 180.0° | 60.0° |
| C4 | C3 | O3 | C2 | 123.2° | 120.0° |
| C4 | C3 | O3 | H23 | 117.3° | 120.0° |
| C4 | C3 | C2 | H23 | 126.0° | 120.1° |
| C4 | C3 | C2 | N2 | 81.2° | 63.6° |
| C4 | C3 | C2 | C1 | 157.2° | 176.4° |
| C3 | C4 | C5 | H4 | 14.7° | 65.0° |
| C3 | C4 | C5 | H5 | 106.5° | 55.0° |
| C4 | C3 | C2 | H63 | 38.6° | 56.4° |
| C4 | C3 | O3 | H77 | 180.0° | 65.2° |
| C3 | C4 | O4 | H78 | 57.7° | 60.0° |
| O3 | C3 | C2 | H23 | 120.8° | 120.0° |
| O3 | C3 | C2 | N2 | 165.7° | 176.4° |
| O3 | C3 | C2 | C1 | 44.0° | 56.4° |
| O3 | C3 | C4 | H1 | 59.3° | 178.9° |
| O3 | C3 | C2 | H63 | 74.6° | 63.6° |
| C3 | C2 | N2 | C1 | 124.7° | 120.0° |
| C3 | C2 | N2 | H63 | 119.2° | 120.0° |
| C3 | C2 | N2 | CAA | 160.2° | 155.0° |
| C3 | C2 | C1 | H63 | 118.5° | 120.0° |
| C3 | C2 | C1 | O1A | 48.3° | 55.4° |
| C2 | C3 | C4 | H1 | 56.1° | 61.1° |
| C3 | C2 | N2 | H22 | 19.7° | 25.0° |
| C3 | C2 | C1 | H64 | 71.4° | 64.6° |
| C3 | C2 | C1 | H65 | 167.9° | 175.4° |
| C2 | C3 | O3 | H77 | 56.8° | 54.8° |
| O2A | C2A | C3A | O3A | 60.8° | 63.3° |
| O2A | C2A | C3A | C1A | 119.3° | 119.9° |
| O2A | C2A | C3A | H75 | 121.0° | 120.1° |
| O2A | C2A | C3A | C4A | 179.6° | 176.9° |
| O2A | C2A | C1A | H75 | 121.5° | 120.2° |
| O2A | C2A | C1A | O1A | 53.5° | 57.6° |
| O2A | C2A | C1A | O6A | 179.4° | 177.5° |
| O2A | C2A | C1A | H66 | 63.8° | 62.5° |
| O2A | C2A | C3A | H73 | 59.8° | 57.1° |
| CAD | CAE | CAF | H57 | 180.0° | 180.0° |
| CAE | CAD | CAC | H58 | 180.0° | 179.9° |
| CAD | CAE | CAF | CAG | 177.0° | 127.4° |
| CAE | CAD | CAC | CAB | 161.9° | 126.5° |
| CAD | CAE | CAF | H55 | 62.7° | 7.4° |
| CAD | CAE | CAF | H56 | 56.6° | 112.6° |
| CAE | CAD | CAC | H59 | 78.0° | 113.5° |
| CAE | CAD | CAC | H60 | 41.8° | 6.6° |
| CAF | CAE | CAD | CAC | 4.4° | 8.2° |
| CAE | CAF | CAG | CAH | 88.2° | 180.0° |
| CAE | CAF | CAG | H55 | 120.4° | 120.0° |
| CAE | CAF | CAG | H56 | 120.4° | 120.0° |
| CAE | CAF | CAG | H53 | 152.5° | 60.0° |
| CAE | CAF | CAG | H54 | 31.2° | 60.0° |
| CAE | CAF | H55 | H56 | 118.9° | 120.0° |
| CAF | CAE | CAD | H58 | 175.6° | 171.7° |
| O3A | C3A | C2A | C4A | 118.9° | 119.8° |
| O3A | C3A | C2A | H73 | 120.6° | 120.4° |
| O3A | C3A | C4A | H73 | 119.9° | 120.3° |
| O3A | C3A | C2A | C1A | 180.0° | 176.8° |
| O3A | C3A | C4A | O4A | 53.8° | 56.9° |
| O3A | C3A | C4A | C5M | 175.6° | 176.8° |
| O3A | C3A | C4A | H71 | 65.6° | 63.2° |
| O3A | C3A | C2A | H75 | 60.3° | 56.8° |
| CAH | CBY | CBZ | H49 | 120.1° | 120.0° |
| CAH | CBY | CBZ | H50 | 120.1° | 120.0° |
| CBY | CAH | CAG | H51 | 120.4° | 119.9° |
| CBY | CAH | CAG | H52 | 120.4° | 120.0° |
| CBY | CAH | CAG | CAF | 176.0° | 180.0° |
| CAH | CBY | CBZ | CCA | 162.1° | 116.4° |
| CAH | CBY | CBZ | CCB | 92.7° | 175.0° |
| CAH | CBY | CBZ | H48 | 58.3° | 29.3° |
| CAH | CBY | H49 | H50 | 119.8° | 120.0° |
| CBY | CAH | H51 | H52 | 118.7° | 120.0° |
| CBY | CAH | CAG | H53 | 56.7° | 60.0° |
| CBY | CAH | CAG | H54 | 64.6° | 59.9° |
| CBZ | CBY | CAH | CAG | 124.0° | 179.9° |
| CBY | CBZ | CCA | CCB | 114.9° | 107.5° |
| CBY | CBZ | CCA | H48 | 139.1° | 145.0° |
| CBY | CBZ | CCB | H48 | 150.8° | 145.1° |
| CBY | CBZ | CCB | CCC | 144.7° | 145.0° |
| CBY | CBZ | CCB | H45 | 3.9° | 0.1° |
| CBY | CBZ | CCA | H46 | 5.2° | 145.0° |
| CBY | CBZ | CCA | H47 | 135.5° | 0.0° |
| CBZ | CBY | H49 | H50 | 119.8° | 120.0° |
| CBZ | CBY | CAH | H51 | 115.6° | 60.0° |
| CBZ | CBY | CAH | H52 | 3.6° | 60.0° |
| CAD | CAC | CAB | H59 | 120.1° | 120.0° |
| CAD | CAC | CAB | H60 | 120.1° | 119.9° |
| CAD | CAC | CAB | CAA | 89.4° | 180.0° |
| CAC | CAD | CAE | H57 | 175.7° | 171.8° |
| CAD | CAC | H59 | H60 | 119.7° | 120.0° |
| CAD | CAC | CAB | H61 | 150.9° | 60.0° |
| CAD | CAC | CAB | H62 | 30.3° | 60.0° |
| CAH | CAG | CAF | H53 | 119.4° | 120.0° |
| CAH | CAG | CAF | H54 | 119.4° | 120.1° |
| CAG | CAH | CBY | H49 | 115.9° | 60.0° |
| CAG | CAH | CBY | H50 | 3.9° | 59.9° |
| CAG | CAH | H51 | H52 | 118.7° | 120.0° |
| CAH | CAG | H53 | H54 | 121.9° | 120.0° |
| CAH | CAG | CAF | H55 | 151.5° | 60.0° |
| CAH | CAG | CAF | H56 | 32.2° | 60.0° |
| CAF | CAG | CAH | H51 | 63.6° | 60.1° |
| CAF | CAG | CAH | H52 | 55.6° | 60.0° |
| CAF | CAG | H53 | H54 | 121.9° | 120.0° |
| CAG | CAF | H55 | H56 | 118.9° | 120.0° |
| CAG | CAF | CAE | H57 | 3.0° | 52.7° |
| C2 | N2 | CAA | H22 | 180.0° | 180.0° |
| N2 | C2 | C1 | H63 | 116.6° | 120.0° |
| N2 | C2 | C1 | O1A | 76.6° | 64.7° |
| C2 | N2 | CAA | CAB | 177.5° | 180.0° |
| C2 | N2 | CAA | OAA | 6.0° | 0.0° |
| N2 | C2 | C3 | H23 | 44.9° | 56.4° |
| N2 | C2 | C1 | H64 | 163.7° | 175.4° |
| N2 | C2 | C1 | H65 | 43.1° | 55.3° |
| CAA | N2 | C2 | C1 | 75.1° | 85.0° |
| N2 | CAA | CAB | CAC | 121.5° | 180.0° |
| N2 | CAA | CAB | OAA | 176.7° | 180.0° |
| N2 | CAA | CAB | H61 | 118.8° | 60.0° |
| N2 | CAA | CAB | H62 | 1.7° | 59.9° |
| CAA | N2 | C2 | H63 | 41.0° | 35.0° |
| CBZ | CCA | CCB | H46 | 109.6° | 107.4° |
| CBZ | CCA | CCB | H47 | 109.7° | 107.5° |
| CCA | CBZ | CCB | H48 | 106.5° | 107.5° |
| CBZ | CCA | CCB | CCC | 104.8° | 107.4° |
| CBZ | CCA | CCB | H45 | 106.1° | 107.5° |
| CBZ | CCA | H46 | H47 | 144.4° | 145.7° |
| CCA | CBZ | CBY | H49 | 42.0° | 3.6° |
| CCA | CBZ | CBY | H50 | 77.8° | 123.6° |
| CCA | CCB | CCC | H45 | 149.5° | 145.7° |
| CCA | CCB | CCC | CCD | 14.1° | 116.3° |
| CCA | CCB | CCC | H43 | 134.9° | 123.7° |
| CCA | CCB | CCC | H44 | 106.7° | 3.7° |
| CCB | CCA | H46 | H47 | 144.4° | 145.7° |
| C2A | C3A | C4A | H73 | 120.6° | 119.8° |
| C3A | C2A | C1A | H75 | 119.9° | 119.9° |
| C3A | C2A | C1A | O1A | 65.2° | 62.3° |
| C3A | C2A | C1A | O6A | 60.7° | 57.7° |
| C2A | C3A | C4A | O4A | 65.7° | 62.9° |
| C2A | C3A | C4A | C5M | 56.0° | 57.0° |
| C3A | C2A | C1A | H66 | 177.5° | 177.6° |
| C2A | C3A | C4A | H71 | 174.8° | 176.9° |
| C2A | C3A | O3A | H74 | 180.0° | 60.0° |
| C3A | C2A | O2A | H76 | 180.0° | 180.0° |
| C4A | C3A | C2A | C1A | 61.1° | 57.0° |
| C3A | C4A | O4A | C5M | 121.5° | 119.7° |
| C3A | C4A | O4A | H71 | 118.9° | 120.1° |
| C3A | C4A | C5M | H71 | 118.8° | 119.9° |
| C3A | C4A | C5M | O6A | 51.7° | 57.6° |
| C3A | C4A | C5M | C6A | 168.6° | 177.6° |
| C3A | C4A | C5M | H67 | 70.6° | 62.4° |
| C3A | C4A | O4A | H72 | 180.0° | 60.4° |
| C4A | C3A | O3A | H74 | 59.2° | 179.5° |
| C4A | C3A | C2A | H75 | 58.6° | 63.0° |
| C2 | C1 | O1A | C1A | 173.4° | 180.0° |
| C2 | C1 | O1A | H64 | 119.7° | 120.0° |
| C2 | C1 | O1A | H65 | 119.7° | 120.0° |
| C1 | C2 | N2 | H22 | 104.9° | 95.0° |
| C1 | C2 | C3 | H23 | 76.8° | 63.6° |
| C2 | C1 | H64 | H65 | 120.9° | 120.0° |
| C2A | C1A | O1A | O6A | 120.2° | 119.9° |
| C2A | C1A | O1A | H66 | 117.0° | 120.1° |
| C2A | C1A | O1A | C1 | 171.3° | 170.1° |
| C2A | C1A | O6A | H66 | 116.3° | 120.0° |
| C2A | C1A | O6A | C5M | 60.1° | 61.2° |
| C1A | C2A | C3A | H73 | 59.5° | 62.8° |
| C1A | C2A | O2A | H76 | 61.2° | 60.3° |
| O1A | C1A | O6A | H66 | 122.7° | 120.1° |
| O1A | C1A | O6A | C5M | 60.9° | 58.8° |
| C1A | O1A | C1 | H64 | 53.7° | 60.0° |
| C1A | O1A | C1 | H65 | 67.0° | 60.0° |
| O1A | C1A | C2A | H75 | 174.9° | 177.7° |
| C1 | O1A | C1A | O6A | 51.1° | 70.0° |
| O1A | C1 | C2 | H63 | 166.8° | 175.3° |
| O1A | C1 | H64 | H65 | 120.9° | 120.0° |
| C1 | O1A | C1A | H66 | 71.7° | 50.0° |
| CBZ | CCB | CCC | H45 | 141.3° | 145.6° |
| CBZ | CCB | CCC | CCD | 55.2° | 175.1° |
| CBZ | CCB | CCC | H43 | 65.6° | 55.1° |
| CBZ | CCB | CCC | H44 | 175.9° | 64.9° |
| CCB | CBZ | CBY | H49 | 27.3° | 65.0° |
| CCB | CBZ | CBY | H50 | 147.2° | 55.0° |
| CAC | CAB | CAA | H61 | 119.7° | 120.0° |
| CAC | CAB | CAA | H62 | 119.8° | 120.1° |
| CAC | CAB | CAA | OAA | 61.8° | 0.0° |
| CAB | CAC | CAD | H58 | 18.1° | 53.6° |
| CAB | CAC | H59 | H60 | 119.8° | 120.0° |
| CAC | CAB | H61 | H62 | 120.8° | 120.0° |
| CAB | CAA | N2 | H22 | 2.5° | 0.0° |
| CAA | CAB | CAC | H59 | 30.6° | 60.0° |
| CAA | CAB | CAC | H60 | 150.5° | 60.0° |
| CAA | CAB | H61 | H62 | 120.8° | 119.9° |
| CCB | CCC | CCD | H43 | 120.8° | 120.0° |
| CCB | CCC | CCD | H44 | 120.8° | 120.0° |
| CCB | CCC | CCD | CCE | 144.2° | 180.0° |
| CCB | CCC | CCD | H41 | 95.7° | 60.1° |
| CCB | CCC | CCD | H42 | 24.1° | 60.0° |
| CCB | CCC | H43 | H44 | 117.6° | 120.1° |
| CCC | CCB | CCA | H46 | 145.5° | 0.0° |
| CCC | CCB | CCA | H47 | 4.9° | 145.0° |
| CCC | CCB | CBZ | H48 | 6.1° | 0.0° |
| OAA | CAA | N2 | H22 | 174.1° | 180.0° |
| OAA | CAA | CAB | H61 | 57.9° | 120.0° |
| OAA | CAA | CAB | H62 | 178.4° | 120.0° |
| C1A | O6A | C5M | C4A | 56.5° | 61.2° |
| C1A | O6A | C5M | C6A | 175.4° | 178.8° |
| C1A | O6A | C5M | H67 | 65.6° | 58.8° |
| O6A | C1A | C2A | H75 | 59.2° | 62.3° |
| O4A | C4A | C5M | H71 | 120.0° | 120.2° |
| O4A | C4A | C5M | O6A | 69.5° | 62.3° |
| O4A | C4A | C5M | C6A | 47.4° | 57.7° |
| O4A | C4A | C5M | H67 | 168.1° | 177.7° |
| O4A | C4A | C3A | H73 | 173.7° | 177.2° |
| C4A | C5M | O6A | C6A | 118.9° | 120.0° |
| C4A | C5M | O6A | H67 | 122.1° | 120.0° |
| C4A | C5M | C6A | H67 | 120.9° | 120.0° |
| C4A | C5M | C6A | O5A | 147.3° | 175.0° |
| C4A | C5M | C6A | H68 | 27.9° | 55.0° |
| C4A | C5M | C6A | H69 | 93.4° | 65.0° |
| C5M | C4A | O4A | H72 | 58.5° | 180.0° |
| C5M | C4A | C3A | H73 | 64.6° | 62.9° |
| CCC | CCD | CCE | H41 | 120.1° | 119.9° |
| CCC | CCD | CCE | H42 | 120.1° | 120.0° |
| CCC | CCD | CCE | CCF | 164.2° | 180.0° |
| CCC | CCD | CCE | H39 | 75.3° | 60.0° |
| CCC | CCD | CCE | H40 | 43.7° | 60.0° |
| CCC | CCD | H41 | H42 | 119.7° | 120.0° |
| CCD | CCC | H43 | H44 | 117.5° | 120.0° |
| CCD | CCC | CCB | H45 | 163.6° | 29.4° |
| O6A | C5M | C6A | H67 | 119.4° | 120.0° |
| O6A | C5M | C6A | O5A | 93.1° | 65.0° |
| C5M | O6A | C1A | H66 | 176.4° | 178.9° |
| O6A | C5M | C6A | H68 | 147.6° | 175.0° |
| O6A | C5M | C6A | H69 | 26.3° | 55.0° |
| O6A | C5M | C4A | H71 | 170.5° | 177.6° |
| C5M | C6A | O5A | H68 | 119.3° | 120.0° |
| C5M | C6A | O5A | H69 | 119.3° | 120.0° |
| C5M | C6A | H68 | H69 | 121.9° | 120.0° |
| C5M | C6A | O5A | H70 | 180.0° | 180.0° |
| C6A | C5M | C4A | H71 | 72.6° | 62.4° |
| CCD | CCE | CCF | H39 | 120.5° | 120.0° |
| CCD | CCE | CCF | H40 | 120.5° | 120.1° |
| CCD | CCE | CCF | CCG | 81.6° | 180.0° |
| CCD | CCE | CCF | H37 | 157.9° | 60.0° |
| CCD | CCE | CCF | H38 | 38.8° | 59.9° |
| CCD | CCE | H39 | H40 | 118.4° | 120.0° |
| CCE | CCD | H41 | H42 | 119.7° | 120.0° |
| CCE | CCD | CCC | H43 | 23.4° | 60.0° |
| CCE | CCD | CCC | H44 | 95.0° | 59.9° |
| O5A | C6A | C5M | H67 | 26.4° | 55.0° |
| O5A | C6A | H68 | H69 | 122.0° | 120.0° |
| CCE | CCF | CCG | H37 | 120.4° | 120.0° |
| CCE | CCF | CCG | H38 | 120.4° | 120.0° |
| CCE | CCF | CCG | CCH | 123.6° | 180.0° |
| CCE | CCF | CCG | H35 | 115.8° | 60.0° |
| CCE | CCF | CCG | H36 | 3.1° | 60.0° |
| CCE | CCF | H37 | H38 | 118.7° | 119.9° |
| CCF | CCE | H39 | H40 | 118.4° | 120.0° |
| CCF | CCE | CCD | H41 | 44.1° | 60.0° |
| CCF | CCE | CCD | H42 | 75.7° | 60.0° |
| CCF | CCG | CCH | H35 | 120.5° | 120.0° |
| CCF | CCG | CCH | H36 | 120.6° | 120.1° |
| CCF | CCG | CCH | CCI | 144.5° | 180.0° |
| CCF | CCG | CCH | H33 | 95.0° | 60.0° |
| CCF | CCG | CCH | H34 | 24.0° | 59.9° |
| CCF | CCG | H35 | H36 | 118.3° | 120.0° |
| CCG | CCF | H37 | H38 | 118.8° | 120.0° |
| CCG | CCF | CCE | H39 | 38.9° | 60.0° |
| CCG | CCF | CCE | H40 | 157.9° | 60.0° |
| CCG | CCH | CCI | H33 | 120.5° | 120.0° |
| CCG | CCH | CCI | H34 | 120.5° | 120.1° |
| CCG | CCH | CCI | CCJ | 115.2° | 180.0° |
| CCG | CCH | CCI | H31 | 124.4° | 60.0° |
| CCG | CCH | CCI | H32 | 5.3° | 59.9° |
| CCG | CCH | H33 | H34 | 118.5° | 120.0° |
| CCH | CCG | H35 | H36 | 118.3° | 119.9° |
| CCH | CCG | CCF | H37 | 3.2° | 60.1° |
| CCH | CCG | CCF | H38 | 116.0° | 60.0° |
| CCL | CCK | CCJ | H27 | 120.3° | 119.9° |
| CCL | CCK | CCJ | H28 | 120.3° | 120.1° |
| CCL | CCK | CCJ | CCI | 173.5° | 180.0° |
| CCK | CCL | H24 | H25 | 120.0° | 120.0° |
| CCK | CCL | H24 | H26 | 120.0° | 120.0° |
| CCK | CCL | H25 | H26 | 120.0° | 120.0° |
| CCL | CCK | H27 | H28 | 119.1° | 119.9° |
| CCL | CCK | CCJ | H29 | 66.4° | 60.0° |
| CCL | CCK | CCJ | H30 | 53.4° | 59.9° |
| CCK | CCJ | CCI | CCH | 77.1° | 180.0° |
| CCK | CCJ | CCI | H29 | 120.1° | 120.0° |
| CCK | CCJ | CCI | H30 | 120.1° | 120.1° |
| CCJ | CCK | CCL | H24 | 180.0° | 60.0° |
| CCJ | CCK | CCL | H25 | 60.0° | 180.0° |
| CCJ | CCK | CCL | H26 | 60.0° | 59.9° |
| CCJ | CCK | H27 | H28 | 119.1° | 120.0° |
| CCK | CCJ | H29 | H30 | 119.7° | 120.0° |
| CCK | CCJ | CCI | H31 | 162.4° | 60.0° |
| CCK | CCJ | CCI | H32 | 43.3° | 59.9° |
| CCH | CCI | CCJ | H31 | 120.4° | 120.0° |
| CCH | CCI | CCJ | H32 | 120.4° | 120.1° |
| CCH | CCI | CCJ | H29 | 162.8° | 60.0° |
| CCH | CCI | CCJ | H30 | 42.9° | 59.9° |
| CCH | CCI | H31 | H32 | 118.7° | 120.0° |
| CCI | CCH | H33 | H34 | 118.5° | 120.0° |
| CCI | CCH | CCG | H35 | 24.0° | 60.0° |
| CCI | CCH | CCG | H36 | 94.9° | 59.9° |
| CCI | CCJ | CCK | H27 | 53.2° | 60.0° |
| CCI | CCJ | CCK | H28 | 66.2° | 60.0° |
| CCI | CCJ | H29 | H30 | 119.7° | 120.0° |
| CCJ | CCI | H31 | H32 | 118.7° | 120.0° |
| CCJ | CCI | CCH | H33 | 5.3° | 60.0° |
| CCJ | CCI | CCH | H34 | 124.3° | 60.0° |
| H1 | C4 | C5 | H4 | 108.9° | 175.1° |
| H1 | C4 | C5 | H5 | 129.9° | 65.0° |
| H1 | C4 | C3 | H23 | 177.9° | 59.0° |
| H1 | C4 | O4 | H78 | 62.7° | 180.0° |
| H2 | C14 | C13 | H20 | 176.9° | 60.0° |
| H2 | C14 | C13 | H21 | 54.7° | 180.0° |
| H2 | C14 | C15 | H79 | 166.0° | 179.9° |
| H2 | C14 | C15 | H80 | 45.2° | 60.1° |
| H3 | C14 | C13 | H20 | 62.1° | 180.0° |
| H3 | C14 | C13 | H21 | 175.8° | 60.1° |
| H3 | C14 | C15 | H79 | 72.9° | 60.0° |
| H3 | C14 | C15 | H80 | 166.3° | 180.0° |
| H4 | C5 | C6 | H6 | 105.6° | 179.9° |
| H4 | C5 | C6 | H7 | 14.1° | 60.1° |
| H5 | C5 | C6 | H6 | 133.2° | 59.9° |
| H5 | C5 | C6 | H7 | 107.0° | 180.0° |
| H6 | C6 | C7 | H10 | 58.3° | 180.0° |
| H6 | C6 | C7 | H11 | 62.5° | 59.9° |
| H7 | C6 | C7 | H10 | 178.0° | 60.0° |
| H7 | C6 | C7 | H11 | 57.3° | 179.9° |
| H8 | C11 | C10 | H16 | 165.6° | 59.9° |
| H8 | C11 | C10 | H17 | 73.9° | 180.0° |
| H8 | C11 | C12 | H18 | 151.5° | 180.0° |
| H8 | C11 | C12 | H19 | 31.7° | 60.0° |
| H9 | C11 | C10 | H16 | 42.8° | 180.0° |
| H9 | C11 | C10 | H17 | 163.3° | 60.0° |
| H9 | C11 | C12 | H18 | 85.6° | 60.0° |
| H9 | C11 | C12 | H19 | 154.6° | 180.0° |
| H10 | C7 | C8 | H12 | 142.7° | 180.0° |
| H10 | C7 | C8 | H13 | 22.8° | 60.1° |
| H11 | C7 | C8 | H12 | 96.5° | 60.0° |
| H11 | C7 | C8 | H13 | 143.5° | 180.0° |
| H12 | C8 | C9 | H14 | 56.2° | 179.9° |
| H12 | C8 | C9 | H15 | 64.0° | 60.0° |
| H13 | C8 | C9 | H14 | 176.1° | 60.0° |
| H13 | C8 | C9 | H15 | 55.9° | 180.0° |
| H14 | C9 | C10 | H16 | 125.1° | 60.0° |
| H14 | C9 | C10 | H17 | 4.6° | 180.0° |
| H15 | C9 | C10 | H16 | 114.7° | 180.0° |
| H15 | C9 | C10 | H17 | 124.8° | 60.0° |
| H18 | C12 | C13 | H20 | 154.6° | 60.0° |
| H18 | C12 | C13 | H21 | 83.3° | 180.0° |
| H19 | C12 | C13 | H20 | 34.7° | 179.9° |
| H19 | C12 | C13 | H21 | 156.9° | 60.0° |
| H22 | N2 | C2 | H63 | 138.9° | 145.0° |
| H23 | C3 | C2 | H63 | 164.6° | 176.5° |
| H23 | C3 | O3 | H77 | 62.7° | 174.8° |
| H24 | CCL | H25 | H26 | 120.0° | 120.0° |
| H24 | CCL | CCK | H27 | 59.7° | 180.0° |
| H24 | CCL | CCK | H28 | 59.7° | 60.0° |
| H25 | CCL | CCK | H27 | 60.3° | 60.0° |
| H25 | CCL | CCK | H28 | 179.7° | 60.0° |
| H26 | CCL | CCK | H27 | 179.7° | 60.1° |
| H26 | CCL | CCK | H28 | 60.3° | 180.0° |
| H27 | CCK | CCJ | H29 | 173.3° | 180.0° |
| H27 | CCK | CCJ | H30 | 66.9° | 60.0° |
| H28 | CCK | CCJ | H29 | 53.9° | 60.0° |
| H28 | CCK | CCJ | H30 | 173.7° | 180.0° |
| H29 | CCJ | CCI | H31 | 42.3° | 180.0° |
| H29 | CCJ | CCI | H32 | 76.8° | 60.0° |
| H30 | CCJ | CCI | H31 | 77.5° | 60.0° |
| H30 | CCJ | CCI | H32 | 163.4° | 180.0° |
| H31 | CCI | CCH | H33 | 115.1° | 180.0° |
| H31 | CCI | CCH | H34 | 3.9° | 60.0° |
| H32 | CCI | CCH | H33 | 125.7° | 60.1° |
| H32 | CCI | CCH | H34 | 115.2° | 180.0° |
| H33 | CCH | CCG | H35 | 144.4° | 180.0° |
| H33 | CCH | CCG | H36 | 25.5° | 60.0° |
| H34 | CCH | CCG | H35 | 96.5° | 60.1° |
| H34 | CCH | CCG | H36 | 144.6° | 180.0° |
| H35 | CCG | CCF | H37 | 123.7° | 180.0° |
| H35 | CCG | CCF | H38 | 4.6° | 60.0° |
| H36 | CCG | CCF | H37 | 117.4° | 60.0° |
| H36 | CCG | CCF | H38 | 123.5° | 180.0° |
| H37 | CCF | CCE | H39 | 81.5° | 180.0° |
| H37 | CCF | CCE | H40 | 37.4° | 60.1° |
| H38 | CCF | CCE | H39 | 159.3° | 60.0° |
| H38 | CCF | CCE | H40 | 81.7° | 180.0° |
| H39 | CCE | CCD | H41 | 164.6° | 180.0° |
| H39 | CCE | CCD | H42 | 44.8° | 60.0° |
| H40 | CCE | CCD | H41 | 76.4° | 60.0° |
| H40 | CCE | CCD | H42 | 163.8° | 180.0° |
| H41 | CCD | CCC | H43 | 143.5° | 179.9° |
| H41 | CCD | CCC | H44 | 25.1° | 60.0° |
| H42 | CCD | CCC | H43 | 96.7° | 60.0° |
| H42 | CCD | CCC | H44 | 144.9° | 179.9° |
| H43 | CCC | CCB | H45 | 75.7° | 90.5° |
| H44 | CCC | CCB | H45 | 42.8° | 149.5° |
| H45 | CCB | CCA | H46 | 3.5° | 145.0° |
| H45 | CCB | CCA | H47 | 144.2° | 0.0° |
| H45 | CCB | CBZ | H48 | 146.9° | 145.0° |
| H46 | CCA | CBZ | H48 | 144.4° | 0.0° |
| H47 | CCA | CBZ | H48 | 3.7° | 145.0° |
| H48 | CBZ | CBY | H49 | 178.4° | 149.3° |
| H48 | CBZ | CBY | H50 | 61.8° | 90.8° |
| H49 | CBY | CAH | H51 | 4.5° | 180.0° |
| H49 | CBY | CAH | H52 | 123.7° | 60.0° |
| H50 | CBY | CAH | H51 | 124.3° | 60.0° |
| H50 | CBY | CAH | H52 | 116.5° | 180.0° |
| H51 | CAH | CAG | H53 | 177.1° | 179.9° |
| H51 | CAH | CAG | H54 | 55.8° | 60.0° |
| H52 | CAH | CAG | H53 | 63.8° | 60.0° |
| H52 | CAH | CAG | H54 | 174.9° | 180.0° |
| H53 | CAG | CAF | H55 | 32.1° | 180.0° |
| H53 | CAG | CAF | H56 | 87.2° | 60.0° |
| H54 | CAG | CAF | H55 | 89.2° | 60.0° |
| H54 | CAG | CAF | H56 | 151.6° | 179.9° |
| H55 | CAF | CAE | H57 | 117.4° | 172.7° |
| H56 | CAF | CAE | H57 | 123.4° | 67.3° |
| H57 | CAE | CAD | H58 | 4.4° | 8.3° |
| H58 | CAD | CAC | H59 | 102.0° | 66.4° |
| H58 | CAD | CAC | H60 | 138.2° | 173.5° |
| H59 | CAC | CAB | H61 | 89.1° | 180.0° |
| H59 | CAC | CAB | H62 | 150.4° | 60.0° |
| H60 | CAC | CAB | H61 | 30.8° | 59.9° |
| H60 | CAC | CAB | H62 | 89.7° | 179.9° |
| H63 | C2 | C1 | H64 | 47.1° | 55.4° |
| H63 | C2 | C1 | H65 | 73.6° | 64.7° |
| H66 | C1A | C2A | H75 | 57.7° | 57.6° |
| H67 | C5M | C6A | H68 | 93.0° | 65.0° |
| H67 | C5M | C6A | H69 | 145.7° | 175.0° |
| H67 | C5M | C4A | H71 | 48.1° | 57.6° |
| H68 | C6A | O5A | H70 | 60.7° | 60.0° |
| H69 | C6A | O5A | H70 | 60.7° | 60.0° |
| H71 | C4A | O4A | H72 | 61.1° | 59.8° |
| H71 | C4A | C3A | H73 | 54.2° | 57.1° |
| H73 | C3A | O3A | H74 | 60.0° | 60.3° |
| H73 | C3A | C2A | H75 | 179.2° | 177.2° |
| H75 | C2A | O2A | H76 | 59.5° | 59.9° |
| H79 | C15 | C16 | H81 | 43.1° | 180.0° |
| H79 | C15 | C16 | H82 | 77.5° | 60.0° |
| H80 | C15 | C16 | H81 | 77.6° | 60.0° |
| H80 | C15 | C16 | H82 | 161.7° | NaN° |
| H81 | C16 | C17 | H83 | 77.9° | 180.0° |
| H81 | C16 | C17 | H84 | 161.5° | 60.0° |
| H82 | C16 | C17 | H83 | 161.4° | 60.0° |
| H82 | C16 | C17 | H84 | 40.8° | 180.0° |
| H83 | C17 | C18 | H85 | 60.3° | 60.0° |
| H83 | C17 | C18 | H86 | 59.7° | 180.0° |
| H83 | C17 | C18 | H87 | 179.7° | 60.0° |
| H84 | C17 | C18 | H85 | 60.3° | 60.0° |
| H84 | C17 | C18 | H86 | 179.7° | 60.0° |
| H84 | C17 | C18 | H87 | 59.7° | 180.0° |
| H85 | C18 | H86 | H87 | 120.0° | 119.9° |
