U42
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O13 | C6 | sing | 1.43Å | 1.43Å | |
| O15 | C7 | sing | 1.43Å | 1.40Å | |
| C6 | C7 | sing | 1.53Å | 1.50Å | |
| C6 | C5 | sing | 1.53Å | 1.50Å | |
| C7 | C8 | sing | 1.53Å | 1.49Å | |
| C5 | O12 | sing | 1.43Å | 1.42Å | |
| C5 | C4 | sing | 1.53Å | 1.52Å | |
| CAT | CAX | sing | 1.53Å | 1.52Å | |
| CAT | CAS | sing | 1.53Å | 1.46Å | |
| CAX | CAY | sing | 1.53Å | 1.55Å | |
| CAS | CAW | sing | 1.51Å | 1.50Å | |
| CBC | CAY | sing | 1.53Å | 1.52Å | |
| C4 | O1 | sing | 1.43Å | 1.40Å | |
| C4 | O14 | sing | 1.43Å | 1.41Å | |
| C8 | C16 | sing | 1.53Å | 1.50Å | |
| C8 | O14 | sing | 1.43Å | 1.44Å | |
| CAW | CAZ | sing | 1.51Å | 1.48Å | |
| CAW | CBA | doub | 1.34Å | 1.30Å | |
| CAY | O1 | sing | 1.43Å | 1.45Å | |
| CAY | CBD | sing | 1.53Å | 1.52Å | |
| CBA | CBE | sing | 1.42Å | 1.41Å | |
| C16 | O17 | sing | 1.45Å | 1.44Å | |
| O17 | C18 | sing | 1.34Å | 1.31Å | |
| CBE | CBF | doub | 1.36Å | 1.31Å | |
| CBF | CBH | sing | 1.41Å | 1.32Å | |
| C18 | O2 | doub | 1.21Å | 1.17Å | |
| C18 | C19 | sing | 1.51Å | 1.45Å | |
| CBH | CBK | sing | 1.51Å | 1.40Å | |
| CBH | CBJ | doub | 1.37Å | 1.35Å | |
| C19 | C20 | sing | 1.53Å | 1.41Å | |
| CBJ | CBM | sing | 1.40Å | 1.35Å | |
| CBM | CBN | doub | 1.38Å | 1.36Å | |
| C20 | C21 | sing | 1.53Å | 1.47Å | |
| CBN | CBL | sing | 1.40Å | 1.39Å | |
| C21 | C22 | sing | 1.53Å | 1.43Å | |
| CBL | CBO | sing | 1.51Å | 1.47Å | |
| CBL | CBI | doub | 1.38Å | 1.46Å | |
| CBI | CBG | sing | 1.40Å | 1.40Å | |
| C22 | C23 | sing | 1.53Å | 1.42Å | |
| CBG | CBB | doub | 1.38Å | 1.42Å | |
| C23 | C24 | sing | 1.53Å | 1.44Å | |
| CBB | CAV | sing | 1.40Å | 1.43Å | |
| C25 | C24 | sing | 1.53Å | 1.40Å | |
| C25 | C26 | sing | 1.53Å | 1.38Å | |
| CAV | CAR | doub | 1.38Å | 1.46Å | |
| CAK | CAH | sing | 1.51Å | 1.50Å | |
| CAR | CAQ | sing | 1.40Å | 1.42Å | |
| CAR | CAU | sing | 1.51Å | 1.46Å | |
| CAQ | CAP | doub | 1.38Å | 1.39Å | |
| C26 | C27 | sing | 1.53Å | 1.33Å | |
| CAI | CAH | sing | 1.50Å | 1.49Å | |
| CAI | CAE | sing | 1.53Å | 1.51Å | |
| CAH | CAD | doub | 1.32Å | 1.34Å | |
| CAP | CAO | sing | 1.40Å | 1.39Å | |
| CAO | CAM | doub | 1.37Å | 1.39Å | |
| CAG | CAB | sing | 1.53Å | 1.52Å | |
| CAM | CAN | sing | 1.51Å | 1.44Å | |
| CAM | CAL | sing | 1.41Å | 1.40Å | |
| CAE | CAC | sing | 1.53Å | 1.44Å | |
| CAL | CAJ | doub | 1.36Å | 1.38Å | |
| CAJ | CAD | sing | 1.42Å | 1.47Å | |
| C27 | C28 | sing | 1.53Å | 1.40Å | |
| CAD | CAB | sing | 1.50Å | 1.52Å | |
| C28 | C29 | sing | 1.53Å | 1.40Å | |
| C29 | C30 | sing | 1.53Å | 1.38Å | |
| CAB | CAC | sing | 1.53Å | 1.53Å | |
| CAB | CAF | sing | 1.53Å | 1.53Å | |
| C30 | C31 | sing | 1.53Å | 1.38Å | |
| C31 | C32 | sing | 1.53Å | 1.42Å | |
| C16 | H1 | sing | 1.09Å | 1.10Å | |
| C16 | H2 | sing | 1.09Å | 1.10Å | |
| C19 | H3 | sing | 1.09Å | 1.10Å | |
| C19 | H4 | sing | 1.09Å | 1.10Å | |
| C20 | H5 | sing | 1.09Å | 1.10Å | |
| C20 | H6 | sing | 1.09Å | 1.10Å | |
| C21 | H7 | sing | 1.09Å | 1.10Å | |
| C21 | H8 | sing | 1.09Å | 1.10Å | |
| C22 | H9 | sing | 1.09Å | 1.10Å | |
| C22 | H10 | sing | 1.09Å | 1.10Å | |
| C23 | H11 | sing | 1.09Å | 1.10Å | |
| C23 | H12 | sing | 1.09Å | 1.10Å | |
| C24 | H13 | sing | 1.09Å | 1.10Å | |
| C24 | H14 | sing | 1.09Å | 1.10Å | |
| C25 | H15 | sing | 1.09Å | 1.10Å | |
| C25 | H16 | sing | 1.09Å | 1.10Å | |
| C26 | H17 | sing | 1.09Å | 1.10Å | |
| C26 | H18 | sing | 1.09Å | 1.10Å | |
| C27 | H19 | sing | 1.09Å | 1.10Å | |
| C27 | H20 | sing | 1.09Å | 1.10Å | |
| C28 | H21 | sing | 1.09Å | 1.10Å | |
| C28 | H22 | sing | 1.09Å | 1.10Å | |
| C29 | H23 | sing | 1.09Å | 1.10Å | |
| C29 | H24 | sing | 1.09Å | 1.10Å | |
| C30 | H25 | sing | 1.09Å | 1.10Å | |
| C30 | H26 | sing | 1.09Å | 1.10Å | |
| C31 | H27 | sing | 1.09Å | 1.10Å | |
| C31 | H28 | sing | 1.09Å | 1.10Å | |
| C32 | H29 | sing | 1.09Å | 1.10Å | |
| C32 | H30 | sing | 1.09Å | 1.10Å | |
| C32 | H31 | sing | 1.09Å | 1.10Å | |
| C4 | H32 | sing | 1.09Å | 1.10Å | |
| C5 | H33 | sing | 1.09Å | 1.10Å | |
| C6 | H34 | sing | 1.09Å | 1.10Å | |
| C7 | H35 | sing | 1.09Å | 1.10Å | |
| C8 | H36 | sing | 1.09Å | 1.10Å | |
| CAC | H37 | sing | 1.09Å | 1.10Å | |
| CAC | H38 | sing | 1.09Å | 1.10Å | |
| CAE | H39 | sing | 1.09Å | 1.10Å | |
| CAE | H40 | sing | 1.09Å | 1.10Å | |
| CAF | H41 | sing | 1.09Å | 1.10Å | |
| CAF | H42 | sing | 1.09Å | 1.10Å | |
| CAF | H43 | sing | 1.09Å | 1.10Å | |
| CAG | H44 | sing | 1.09Å | 1.10Å | |
| CAG | H45 | sing | 1.09Å | 1.10Å | |
| CAG | H46 | sing | 1.09Å | 1.10Å | |
| CAI | H47 | sing | 1.09Å | 1.10Å | |
| CAI | H48 | sing | 1.09Å | 1.10Å | |
| CAJ | H49 | sing | 1.08Å | 1.08Å | |
| CAK | H50 | sing | 1.09Å | 1.10Å | |
| CAK | H51 | sing | 1.09Å | 1.10Å | |
| CAK | H52 | sing | 1.09Å | 1.10Å | |
| CAL | H53 | sing | 1.08Å | 1.08Å | |
| CAN | H54 | sing | 1.09Å | 1.10Å | |
| CAN | H55 | sing | 1.09Å | 1.10Å | |
| CAN | H56 | sing | 1.09Å | 1.10Å | |
| CAO | H57 | sing | 1.08Å | 1.08Å | |
| CAP | H58 | sing | 1.08Å | 1.08Å | |
| CAQ | H59 | sing | 1.08Å | 1.08Å | |
| CAS | H61 | sing | 1.09Å | 1.10Å | |
| CAS | H62 | sing | 1.09Å | 1.10Å | |
| CAT | H63 | sing | 1.09Å | 1.10Å | |
| CAT | H64 | sing | 1.09Å | 1.10Å | |
| CAU | H65 | sing | 1.09Å | 1.10Å | |
| CAU | H66 | sing | 1.09Å | 1.10Å | |
| CAU | H67 | sing | 1.09Å | 1.10Å | |
| CAV | H68 | sing | 1.08Å | 1.08Å | |
| CAX | H70 | sing | 1.09Å | 1.10Å | |
| CAX | H71 | sing | 1.09Å | 1.10Å | |
| CAZ | H72 | sing | 1.09Å | 1.10Å | |
| CAZ | H73 | sing | 1.09Å | 1.10Å | |
| CAZ | H74 | sing | 1.09Å | 1.10Å | |
| CBA | H75 | sing | 1.08Å | 1.08Å | |
| CBB | H76 | sing | 1.08Å | 1.08Å | |
| CBC | H77 | sing | 1.09Å | 1.10Å | |
| CBC | H78 | sing | 1.09Å | 1.10Å | |
| CBC | H79 | sing | 1.09Å | 1.10Å | |
| CBD | H80 | sing | 1.09Å | 1.10Å | |
| CBD | H81 | sing | 1.09Å | 1.10Å | |
| CBD | H82 | sing | 1.09Å | 1.10Å | |
| CBE | H83 | sing | 1.08Å | 1.08Å | |
| CBF | H85 | sing | 1.08Å | 1.08Å | |
| CBG | H87 | sing | 1.08Å | 1.08Å | |
| CBI | H88 | sing | 1.08Å | 1.08Å | |
| CBJ | H89 | sing | 1.08Å | 1.08Å | |
| CBK | H90 | sing | 1.09Å | 1.10Å | |
| CBK | H91 | sing | 1.09Å | 1.10Å | |
| CBK | H92 | sing | 1.09Å | 1.10Å | |
| CBM | H93 | sing | 1.08Å | 1.08Å | |
| CBN | H94 | sing | 1.08Å | 1.08Å | |
| CBO | H95 | sing | 1.09Å | 1.10Å | |
| CBO | H96 | sing | 1.09Å | 1.10Å | |
| CBO | H97 | sing | 1.09Å | 1.10Å | |
| O12 | H98 | sing | 0.97Å | 0.95Å | |
| O13 | H99 | sing | 0.97Å | 0.95Å | |
| O15 | H100 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O13 | C6 | C7 | 108.7° | 109.6° |
| O13 | C6 | C5 | 110.1° | 109.6° |
| O13 | C6 | H34 | 109.9° | 109.6° |
| C6 | O13 | H99 | 109.5° | 114.0° |
| O15 | C7 | C6 | 108.5° | 109.5° |
| O15 | C7 | C8 | 109.3° | 109.5° |
| O15 | C7 | H35 | 111.2° | 109.6° |
| C7 | O15 | H100 | 109.5° | 114.0° |
| C7 | C6 | C5 | 110.5° | 109.0° |
| C6 | C7 | C8 | 108.2° | 109.1° |
| C7 | C6 | H34 | 108.8° | 109.5° |
| C6 | C7 | H35 | 109.7° | 109.5° |
| C6 | C5 | O12 | 108.4° | 109.5° |
| C6 | C5 | C4 | 107.7° | 109.2° |
| C6 | C5 | H33 | 109.6° | 109.6° |
| C5 | C6 | H34 | 108.8° | 109.6° |
| C7 | C8 | C16 | 113.3° | 109.5° |
| C7 | C8 | O14 | 108.1° | 109.4° |
| C8 | C7 | H35 | 109.9° | 109.6° |
| C7 | C8 | H36 | 109.5° | 109.6° |
| O12 | C5 | C4 | 110.6° | 109.5° |
| O12 | C5 | H33 | 110.9° | 109.6° |
| C5 | O12 | H98 | 109.5° | 114.0° |
| C5 | C4 | O1 | 112.1° | 109.5° |
| C5 | C4 | O14 | 108.2° | 109.4° |
| C5 | C4 | H32 | 106.6° | 109.5° |
| C4 | C5 | H33 | 109.5° | 109.5° |
| CAX | CAT | CAS | 117.2° | 109.4° |
| CAT | CAX | CAY | 120.1° | 109.5° |
| CAX | CAT | H63 | 107.5° | 109.4° |
| CAX | CAT | H64 | 107.5° | 109.5° |
| CAT | CAX | H70 | 106.7° | 109.5° |
| CAT | CAX | H71 | 106.8° | 109.5° |
| CAT | CAS | CAW | 113.6° | 109.5° |
| CAT | CAS | H61 | 108.4° | 109.4° |
| CAT | CAS | H62 | 108.4° | 109.5° |
| CAS | CAT | H63 | 107.5° | 109.5° |
| CAS | CAT | H64 | 107.5° | 109.5° |
| CAX | CAY | CBC | 112.7° | 109.5° |
| CAX | CAY | O1 | 119.0° | 109.5° |
| CAX | CAY | CBD | 108.3° | 109.5° |
| CAY | CAX | H70 | 106.8° | 109.4° |
| CAY | CAX | H71 | 106.7° | 109.4° |
| CAS | CAW | CAZ | 117.5° | 120.0° |
| CAS | CAW | CBA | 122.2° | 120.0° |
| CAW | CAS | H61 | 108.4° | 109.5° |
| CAW | CAS | H62 | 108.4° | 109.5° |
| CBC | CAY | O1 | 96.1° | 109.5° |
| CBC | CAY | CBD | 109.2° | 109.5° |
| CAY | CBC | H77 | 109.5° | 109.5° |
| CAY | CBC | H78 | 109.5° | 109.4° |
| CAY | CBC | H79 | 109.5° | 109.5° |
| O1 | C4 | O14 | 113.8° | 109.5° |
| C4 | O1 | CAY | 115.6° | 114.0° |
| O1 | C4 | H32 | 107.9° | 109.5° |
| C4 | O14 | C8 | 114.7° | 114.1° |
| O14 | C4 | H32 | 107.9° | 109.5° |
| C16 | C8 | O14 | 106.5° | 109.5° |
| C8 | C16 | O17 | 106.0° | 109.5° |
| C8 | C16 | H1 | 110.3° | 109.5° |
| C8 | C16 | H2 | 110.4° | 109.5° |
| C16 | C8 | H36 | 109.3° | 109.5° |
| O14 | C8 | H36 | 110.1° | 109.5° |
| CAZ | CAW | CBA | 120.3° | 120.0° |
| CAW | CAZ | H72 | 109.5° | 109.5° |
| CAW | CAZ | H73 | 109.5° | 109.4° |
| CAW | CAZ | H74 | 109.5° | 109.5° |
| CAW | CBA | CBE | 125.2° | 120.0° |
| CAW | CBA | H75 | 117.4° | 120.0° |
| O1 | CAY | CBD | 111.0° | 109.4° |
| CAY | CBD | H80 | 109.5° | 109.5° |
| CAY | CBD | H81 | 109.5° | 109.5° |
| CAY | CBD | H82 | 109.5° | 109.4° |
| CBA | CBE | CBF | 112.2° | 120.0° |
| CBE | CBA | H75 | 117.4° | 120.0° |
| CBA | CBE | H83 | 123.9° | 120.0° |
| C16 | O17 | C18 | 117.4° | 117.0° |
| O17 | C16 | H1 | 110.4° | 109.5° |
| O17 | C16 | H2 | 110.4° | 109.5° |
| O17 | C18 | O2 | 123.3° | 120.0° |
| O17 | C18 | C19 | 112.9° | 120.0° |
| CBE | CBF | CBH | 132.5° | 120.0° |
| CBF | CBE | H83 | 123.9° | 120.0° |
| CBE | CBF | H85 | 113.7° | 120.0° |
| CBF | CBH | CBK | 119.9° | 120.0° |
| CBF | CBH | CBJ | 119.9° | 120.0° |
| CBH | CBF | H85 | 113.7° | 120.0° |
| O2 | C18 | C19 | 123.8° | 120.0° |
| C18 | C19 | C20 | 108.4° | 109.4° |
| C18 | C19 | H3 | 109.7° | 109.4° |
| C18 | C19 | H4 | 109.8° | 109.5° |
| CBK | CBH | CBJ | 119.9° | 120.0° |
| CBH | CBK | H90 | 109.5° | 109.4° |
| CBH | CBK | H91 | 109.5° | 109.5° |
| CBH | CBK | H92 | 109.5° | 109.5° |
| CBH | CBJ | CBM | 129.7° | 120.0° |
| CBH | CBJ | H89 | 115.1° | 120.0° |
| C19 | C20 | C21 | 113.3° | 109.4° |
| C20 | C19 | H3 | 109.7° | 109.5° |
| C20 | C19 | H4 | 109.7° | 109.5° |
| C19 | C20 | H5 | 108.5° | 109.5° |
| C19 | C20 | H6 | 108.5° | 109.5° |
| CBJ | CBM | CBN | 126.4° | 120.0° |
| CBM | CBJ | H89 | 115.2° | 120.0° |
| CBJ | CBM | H93 | 116.8° | 120.0° |
| CBM | CBN | CBL | 126.6° | 120.0° |
| CBN | CBM | H93 | 116.8° | 120.0° |
| CBM | CBN | H94 | 116.7° | 120.0° |
| C20 | C21 | C22 | 107.9° | 109.4° |
| C21 | C20 | H5 | 108.5° | 109.5° |
| C21 | C20 | H6 | 108.5° | 109.4° |
| C20 | C21 | H7 | 109.9° | 109.5° |
| C20 | C21 | H8 | 109.9° | 109.5° |
| CBN | CBL | CBO | 115.0° | 120.0° |
| CBN | CBL | CBI | 123.7° | 120.0° |
| CBL | CBN | H94 | 116.7° | 120.0° |
| C21 | C22 | C23 | 111.9° | 109.4° |
| C22 | C21 | H7 | 109.9° | 109.5° |
| C22 | C21 | H8 | 109.9° | 109.5° |
| C21 | C22 | H9 | 108.8° | 109.5° |
| C21 | C22 | H10 | 108.9° | 109.5° |
| CBO | CBL | CBI | 121.4° | 120.0° |
| CBL | CBO | H95 | 109.5° | 109.5° |
| CBL | CBO | H96 | 109.5° | 109.5° |
| CBL | CBO | H97 | 109.5° | 109.4° |
| CBL | CBI | CBG | 134.6° | 120.0° |
| CBL | CBI | H88 | 112.7° | 120.1° |
| CBI | CBG | CBB | 135.2° | 120.0° |
| CBI | CBG | H87 | 112.4° | 120.0° |
| CBG | CBI | H88 | 112.7° | 120.0° |
| C22 | C23 | C24 | 113.8° | 109.4° |
| C23 | C22 | H9 | 108.9° | 109.4° |
| C23 | C22 | H10 | 108.8° | 109.5° |
| C22 | C23 | H11 | 108.4° | 109.4° |
| C22 | C23 | H12 | 108.4° | 109.5° |
| CBG | CBB | CAV | 132.8° | 120.0° |
| CBG | CBB | H76 | 113.6° | 120.0° |
| CBB | CBG | H87 | 112.4° | 120.0° |
| C23 | C24 | C25 | 114.6° | 109.4° |
| C24 | C23 | H11 | 108.4° | 109.4° |
| C24 | C23 | H12 | 108.4° | 109.5° |
| C23 | C24 | H13 | 108.2° | 109.4° |
| C23 | C24 | H14 | 108.2° | 109.4° |
| CBB | CAV | CAR | 133.7° | 120.0° |
| CBB | CAV | H68 | 113.2° | 120.0° |
| CAV | CBB | H76 | 113.6° | 120.0° |
| C24 | C25 | C26 | 107.6° | 109.4° |
| C25 | C24 | H13 | 108.2° | 109.5° |
| C25 | C24 | H14 | 108.2° | 109.5° |
| C24 | C25 | H15 | 109.9° | 109.5° |
| C24 | C25 | H16 | 109.9° | 109.5° |
| C25 | C26 | C27 | 112.3° | 109.4° |
| C26 | C25 | H15 | 109.9° | 109.4° |
| C26 | C25 | H16 | 109.9° | 109.5° |
| C25 | C26 | H17 | 108.8° | 109.5° |
| C25 | C26 | H18 | 108.8° | 109.5° |
| CAV | CAR | CAQ | 125.0° | 120.0° |
| CAV | CAR | CAU | 118.7° | 120.0° |
| CAR | CAV | H68 | 113.1° | 120.0° |
| CAK | CAH | CAI | 113.0° | 118.2° |
| CAK | CAH | CAD | 122.7° | 118.2° |
| CAH | CAK | H50 | 109.5° | 109.5° |
| CAH | CAK | H51 | 109.5° | 109.5° |
| CAH | CAK | H52 | 109.5° | 109.5° |
| CAQ | CAR | CAU | 116.3° | 120.0° |
| CAR | CAQ | CAP | 132.8° | 120.0° |
| CAR | CAQ | H59 | 113.6° | 120.0° |
| CAR | CAU | H65 | 109.5° | 109.5° |
| CAR | CAU | H66 | 109.5° | 109.5° |
| CAR | CAU | H67 | 109.5° | 109.5° |
| CAQ | CAP | CAO | 128.1° | 120.0° |
| CAQ | CAP | H58 | 115.9° | 120.0° |
| CAP | CAQ | H59 | 113.6° | 120.0° |
| C26 | C27 | C28 | 108.4° | 109.4° |
| C27 | C26 | H17 | 108.8° | 109.4° |
| C27 | C26 | H18 | 108.8° | 109.5° |
| C26 | C27 | H19 | 109.7° | 109.4° |
| C26 | C27 | H20 | 109.7° | 109.5° |
| CAH | CAI | CAE | 118.3° | 110.1° |
| CAI | CAH | CAD | 124.3° | 123.7° |
| CAH | CAI | H47 | 107.2° | 109.3° |
| CAH | CAI | H48 | 107.2° | 109.4° |
| CAI | CAE | CAC | 115.6° | 108.5° |
| CAI | CAE | H39 | 108.0° | 109.6° |
| CAI | CAE | H40 | 107.9° | 109.8° |
| CAE | CAI | H47 | 107.2° | 109.4° |
| CAE | CAI | H48 | 107.2° | 109.4° |
| CAH | CAD | CAJ | 117.5° | 118.1° |
| CAH | CAD | CAB | 118.2° | 123.7° |
| CAP | CAO | CAM | 131.2° | 120.0° |
| CAP | CAO | H57 | 114.4° | 120.0° |
| CAO | CAP | H58 | 115.9° | 120.0° |
| CAO | CAM | CAN | 116.9° | 120.0° |
| CAO | CAM | CAL | 125.3° | 120.0° |
| CAM | CAO | H57 | 114.4° | 120.0° |
| CAG | CAB | CAD | 110.5° | 109.3° |
| CAG | CAB | CAC | 107.9° | 109.4° |
| CAG | CAB | CAF | 104.9° | 109.4° |
| CAB | CAG | H44 | 109.5° | 109.5° |
| CAB | CAG | H45 | 109.5° | 109.5° |
| CAB | CAG | H46 | 109.5° | 109.5° |
| CAN | CAM | CAL | 117.7° | 120.0° |
| CAM | CAN | H54 | 109.5° | 109.5° |
| CAM | CAN | H55 | 109.4° | 109.4° |
| CAM | CAN | H56 | 109.5° | 109.5° |
| CAM | CAL | CAJ | 130.0° | 120.0° |
| CAM | CAL | H53 | 115.0° | 120.0° |
| CAE | CAC | CAB | 116.8° | 108.6° |
| CAE | CAC | H37 | 107.6° | 109.7° |
| CAE | CAC | H38 | 107.6° | 109.8° |
| CAC | CAE | H39 | 107.9° | 109.6° |
| CAC | CAE | H40 | 107.9° | 109.7° |
| CAL | CAJ | CAD | 130.9° | 120.0° |
| CAL | CAJ | H49 | 114.6° | 120.0° |
| CAJ | CAL | H53 | 115.0° | 120.0° |
| CAJ | CAD | CAB | 124.4° | 118.2° |
| CAD | CAJ | H49 | 114.5° | 120.0° |
| C27 | C28 | C29 | 111.0° | 109.4° |
| C28 | C27 | H19 | 109.7° | 109.5° |
| C28 | C27 | H20 | 109.7° | 109.5° |
| C27 | C28 | H21 | 109.1° | 109.5° |
| C27 | C28 | H22 | 109.1° | 109.5° |
| CAD | CAB | CAC | 115.7° | 110.1° |
| CAD | CAB | CAF | 110.3° | 109.3° |
| C28 | C29 | C30 | 114.3° | 109.4° |
| C29 | C28 | H21 | 109.1° | 109.5° |
| C29 | C28 | H22 | 109.1° | 109.4° |
| C28 | C29 | H23 | 108.2° | 109.5° |
| C28 | C29 | H24 | 108.2° | 109.5° |
| C29 | C30 | C31 | 107.9° | 109.4° |
| C30 | C29 | H23 | 108.3° | 109.5° |
| C30 | C29 | H24 | 108.2° | 109.4° |
| C29 | C30 | H25 | 109.9° | 109.5° |
| C29 | C30 | H26 | 109.9° | 109.4° |
| CAC | CAB | CAF | 107.0° | 109.4° |
| CAB | CAC | H37 | 107.6° | 109.6° |
| CAB | CAC | H38 | 107.6° | 109.6° |
| CAB | CAF | H41 | 109.5° | 109.4° |
| CAB | CAF | H42 | 109.5° | 109.5° |
| CAB | CAF | H43 | 109.5° | 109.5° |
| C30 | C31 | C32 | 110.2° | 109.4° |
| C31 | C30 | H25 | 109.9° | 109.5° |
| C31 | C30 | H26 | 109.9° | 109.5° |
| C30 | C31 | H27 | 109.3° | 109.5° |
| C30 | C31 | H28 | 109.3° | 109.5° |
| C32 | C31 | H27 | 109.3° | 109.4° |
| C32 | C31 | H28 | 109.3° | 109.5° |
| C31 | C32 | H29 | 109.5° | 109.5° |
| C31 | C32 | H30 | 109.5° | 109.4° |
| C31 | C32 | H31 | 109.4° | 109.4° |
| H1 | C16 | H2 | 109.4° | 109.4° |
| H3 | C19 | H4 | 109.5° | 109.5° |
| H5 | C20 | H6 | 109.5° | 109.5° |
| H7 | C21 | H8 | 109.5° | 109.5° |
| H9 | C22 | H10 | 109.5° | 109.5° |
| H11 | C23 | H12 | 109.5° | 109.5° |
| H13 | C24 | H14 | 109.5° | 109.5° |
| H15 | C25 | H16 | 109.4° | 109.5° |
| H17 | C26 | H18 | 109.4° | 109.5° |
| H19 | C27 | H20 | 109.4° | 109.5° |
| H21 | C28 | H22 | 109.5° | 109.5° |
| H23 | C29 | H24 | 109.5° | 109.5° |
| H25 | C30 | H26 | 109.5° | 109.5° |
| H27 | C31 | H28 | 109.5° | 109.5° |
| H29 | C32 | H30 | 109.5° | 109.5° |
| H29 | C32 | H31 | 109.4° | 109.5° |
| H30 | C32 | H31 | 109.5° | 109.5° |
| H37 | CAC | H38 | 109.4° | 109.6° |
| H39 | CAE | H40 | 109.5° | 109.6° |
| H41 | CAF | H42 | 109.5° | 109.5° |
| H41 | CAF | H43 | 109.4° | 109.4° |
| H42 | CAF | H43 | 109.4° | 109.5° |
| H44 | CAG | H45 | 109.5° | 109.4° |
| H44 | CAG | H46 | 109.5° | 109.5° |
| H45 | CAG | H46 | 109.4° | 109.5° |
| H47 | CAI | H48 | 109.4° | 109.2° |
| H50 | CAK | H51 | 109.5° | 109.4° |
| H50 | CAK | H52 | 109.5° | 109.4° |
| H51 | CAK | H52 | 109.5° | 109.4° |
| H54 | CAN | H55 | 109.5° | 109.5° |
| H54 | CAN | H56 | 109.4° | 109.6° |
| H55 | CAN | H56 | 109.5° | 109.5° |
| H61 | CAS | H62 | 109.4° | 109.4° |
| H63 | CAT | H64 | 109.5° | 109.5° |
| H65 | CAU | H66 | 109.5° | 109.5° |
| H65 | CAU | H67 | 109.5° | 109.4° |
| H66 | CAU | H67 | 109.5° | 109.4° |
| H70 | CAX | H71 | 109.5° | 109.5° |
| H72 | CAZ | H73 | 109.5° | 109.5° |
| H72 | CAZ | H74 | 109.4° | 109.5° |
| H73 | CAZ | H74 | 109.5° | 109.5° |
| H77 | CBC | H78 | 109.5° | 109.5° |
| H77 | CBC | H79 | 109.5° | 109.5° |
| H78 | CBC | H79 | 109.5° | 109.5° |
| H80 | CBD | H81 | 109.5° | 109.5° |
| H80 | CBD | H82 | 109.5° | 109.4° |
| H81 | CBD | H82 | 109.4° | 109.4° |
| H90 | CBK | H91 | 109.4° | 109.5° |
| H90 | CBK | H92 | 109.5° | 109.5° |
| H91 | CBK | H92 | 109.5° | 109.5° |
| H95 | CBO | H96 | 109.5° | 109.6° |
| H95 | CBO | H97 | 109.5° | 109.5° |
| H96 | CBO | H97 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O13 | C6 | C7 | O15 | 66.7° | 63.2° |
| O13 | C6 | C7 | C5 | 120.9° | 119.9° |
| O13 | C6 | C7 | H34 | 119.7° | 120.3° |
| O13 | C6 | C5 | H34 | 120.5° | 120.3° |
| O13 | C6 | C7 | C8 | 174.8° | 176.9° |
| O13 | C6 | C5 | O12 | 127.2° | 63.3° |
| O13 | C6 | C5 | C4 | 113.1° | 176.9° |
| O13 | C6 | C5 | H33 | 6.0° | 56.9° |
| O13 | C6 | C7 | H35 | 54.9° | 56.9° |
| O15 | C7 | C6 | C8 | 118.5° | 119.9° |
| O15 | C7 | C6 | H35 | 121.7° | 120.2° |
| O15 | C7 | C6 | C5 | 172.4° | 176.9° |
| O15 | C7 | C8 | H35 | 122.3° | 120.2° |
| O15 | C7 | C8 | C16 | 61.8° | 62.6° |
| O15 | C7 | C8 | O14 | 179.5° | 177.5° |
| O15 | C7 | C6 | H34 | 53.0° | 57.0° |
| O15 | C7 | C8 | H36 | 60.5° | 57.5° |
| C7 | C6 | C5 | H34 | 119.4° | 119.8° |
| C6 | C7 | C8 | H35 | 119.7° | 119.9° |
| C7 | C6 | C5 | O12 | 112.7° | 176.8° |
| C7 | C6 | C5 | C4 | 7.0° | 57.0° |
| C6 | C7 | C8 | C16 | 179.8° | 177.6° |
| C6 | C7 | C8 | O14 | 62.5° | 57.7° |
| C7 | C6 | C5 | H33 | 126.1° | 62.9° |
| C6 | C7 | C8 | H36 | 57.5° | 62.4° |
| C7 | C6 | O13 | H99 | 180.0° | 180.0° |
| C6 | C7 | O15 | H100 | 180.0° | 60.0° |
| C5 | C6 | C7 | C8 | 53.9° | 57.0° |
| C6 | C5 | O12 | C4 | 117.9° | 119.7° |
| C6 | C5 | O12 | H33 | 120.4° | 120.2° |
| C6 | C5 | C4 | H33 | 119.2° | 120.0° |
| C6 | C5 | C4 | O1 | 171.0° | 62.4° |
| C6 | C5 | C4 | O14 | 62.7° | 57.6° |
| C6 | C5 | C4 | H32 | 53.1° | 177.6° |
| C5 | C6 | C7 | H35 | 66.0° | 62.9° |
| C6 | C5 | O12 | H98 | 180.0° | 179.7° |
| C5 | C6 | O13 | H99 | 58.8° | 60.4° |
| C7 | C8 | O14 | C4 | 6.3° | 61.2° |
| C7 | C8 | C16 | O14 | 118.7° | 119.9° |
| C7 | C8 | C16 | H36 | 122.4° | 120.1° |
| C7 | C8 | O14 | H36 | 119.6° | 120.1° |
| C7 | C8 | C16 | O17 | 81.7° | 175.0° |
| C7 | C8 | C16 | H1 | 158.8° | 55.0° |
| C7 | C8 | C16 | H2 | 37.8° | 64.9° |
| C8 | C7 | C6 | H34 | 65.6° | 62.9° |
| C8 | C7 | O15 | H100 | 62.2° | 179.7° |
| O12 | C5 | C4 | H33 | 122.5° | 120.1° |
| O12 | C5 | C4 | O1 | 70.8° | 57.5° |
| O12 | C5 | C4 | O14 | 55.6° | 177.5° |
| O12 | C5 | C4 | H32 | 171.3° | 62.5° |
| O12 | C5 | C6 | H34 | 6.8° | 57.0° |
| C5 | C4 | O1 | O14 | 123.2° | 119.9° |
| C5 | C4 | O1 | H32 | 117.1° | 120.1° |
| C5 | C4 | O14 | H32 | 114.9° | 120.0° |
| C5 | C4 | O14 | C8 | 56.6° | 61.2° |
| C5 | C4 | O1 | CAY | 110.0° | 170.1° |
| C4 | C5 | C6 | H34 | 126.4° | 62.9° |
| C4 | C5 | O12 | H98 | 62.1° | 60.1° |
| CAX | CAT | CAS | H63 | 121.1° | 119.9° |
| CAX | CAT | CAS | H64 | 121.1° | 120.0° |
| CAT | CAX | CAY | H70 | 121.5° | 120.0° |
| CAT | CAX | CAY | H71 | 121.5° | 120.0° |
| CAX | CAT | CAS | CAW | 140.5° | 180.0° |
| CAT | CAX | CAY | CBC | 87.2° | 175.0° |
| CAT | CAX | CAY | O1 | 161.5° | 65.0° |
| CAT | CAX | CAY | CBD | 33.7° | 55.0° |
| CAX | CAT | CAS | H61 | 19.8° | 60.0° |
| CAX | CAT | CAS | H62 | 98.9° | 60.0° |
| CAX | CAT | H63 | H64 | 116.5° | 120.0° |
| CAT | CAX | H70 | H71 | 115.2° | 120.1° |
| CAS | CAT | CAX | CAY | 116.1° | 180.0° |
| CAT | CAS | CAW | H61 | 120.6° | 120.0° |
| CAT | CAS | CAW | H62 | 120.6° | 120.0° |
| CAT | CAS | CAW | CAZ | 2.7° | 85.0° |
| CAT | CAS | CAW | CBA | 178.0° | 95.0° |
| CAT | CAS | H61 | H62 | 118.1° | 120.0° |
| CAS | CAT | H63 | H64 | 116.5° | 120.1° |
| CAS | CAT | CAX | H70 | 122.4° | 60.0° |
| CAS | CAT | CAX | H71 | 5.3° | 60.1° |
| CAX | CAY | CBC | O1 | 124.9° | 120.0° |
| CAX | CAY | CBC | CBD | 120.3° | 120.0° |
| CAX | CAY | O1 | C4 | 4.3° | 180.0° |
| CAX | CAY | O1 | CBD | 126.5° | 120.0° |
| CAY | CAX | CAT | H63 | 122.7° | 60.0° |
| CAY | CAX | CAT | H64 | 5.0° | 60.0° |
| CAY | CAX | H70 | H71 | 115.2° | 119.9° |
| CAX | CAY | CBC | H77 | 180.0° | 60.0° |
| CAX | CAY | CBC | H78 | 60.0° | 180.0° |
| CAX | CAY | CBC | H79 | 60.0° | 60.0° |
| CAX | CAY | CBD | H80 | 180.0° | 59.9° |
| CAX | CAY | CBD | H81 | 60.0° | 180.0° |
| CAX | CAY | CBD | H82 | 60.0° | 60.0° |
| CAS | CAW | CAZ | CBA | 179.3° | 180.0° |
| CAS | CAW | CBA | CBE | 179.7° | 180.0° |
| CAW | CAS | H61 | H62 | 118.1° | 120.1° |
| CAW | CAS | CAT | H63 | 98.4° | 60.0° |
| CAW | CAS | CAT | H64 | 19.4° | 60.1° |
| CAS | CAW | CAZ | H72 | 180.0° | 90.0° |
| CAS | CAW | CAZ | H73 | 60.0° | 150.0° |
| CAS | CAW | CAZ | H74 | 60.0° | 30.0° |
| CAS | CAW | CBA | H75 | 0.3° | 0.0° |
| CBC | CAY | O1 | C4 | 115.9° | 60.0° |
| CBC | CAY | O1 | CBD | 113.2° | 120.0° |
| CBC | CAY | CAX | H70 | 34.3° | 65.0° |
| CBC | CAY | CAX | H71 | 151.3° | 55.0° |
| CAY | CBC | H77 | H78 | 120.0° | 120.0° |
| CAY | CBC | H77 | H79 | 120.0° | 120.0° |
| CAY | CBC | H78 | H79 | 120.0° | 120.0° |
| CBC | CAY | CBD | H80 | 57.0° | 179.9° |
| CBC | CAY | CBD | H81 | 177.0° | 60.0° |
| CBC | CAY | CBD | H82 | 63.1° | 60.0° |
| O1 | C4 | O14 | H32 | 119.7° | 120.0° |
| O1 | C4 | O14 | C8 | 178.1° | 58.8° |
| C4 | O1 | CAY | CBD | 130.8° | 60.0° |
| O1 | C4 | C5 | H33 | 51.8° | 177.6° |
| C4 | O14 | C8 | C16 | 128.3° | 178.8° |
| O14 | C4 | O1 | CAY | 126.8° | 70.0° |
| O14 | C4 | C5 | H33 | 178.1° | 62.4° |
| C4 | O14 | C8 | H36 | 113.3° | 58.8° |
| C16 | C8 | O14 | H36 | 118.4° | 120.0° |
| C8 | C16 | O17 | H1 | 119.5° | 120.0° |
| C8 | C16 | O17 | H2 | 119.5° | 120.1° |
| C8 | C16 | O17 | C18 | 165.6° | 180.0° |
| C8 | C16 | H1 | H2 | 121.6° | 120.0° |
| C16 | C8 | C7 | H35 | 60.5° | 57.7° |
| O14 | C8 | C16 | O17 | 37.0° | 65.1° |
| O14 | C8 | C16 | H1 | 82.5° | 174.9° |
| O14 | C8 | C16 | H2 | 156.5° | 55.0° |
| C8 | O14 | C4 | H32 | 58.4° | 178.8° |
| O14 | C8 | C7 | H35 | 57.2° | 62.3° |
| CAZ | CAW | CBA | CBE | 1.0° | 0.0° |
| CAZ | CAW | CAS | H61 | 123.4° | 155.0° |
| CAZ | CAW | CAS | H62 | 117.9° | 35.0° |
| CAW | CAZ | H72 | H73 | 120.0° | 120.0° |
| CAW | CAZ | H72 | H74 | 120.0° | 120.0° |
| CAW | CAZ | H73 | H74 | 120.0° | 120.0° |
| CAZ | CAW | CBA | H75 | 179.0° | 180.0° |
| CAW | CBA | CBE | H75 | 180.0° | 180.0° |
| CAW | CBA | CBE | CBF | 170.6° | 180.0° |
| CBA | CAW | CAS | H61 | 57.3° | 25.0° |
| CBA | CAW | CAS | H62 | 61.4° | 145.0° |
| CBA | CAW | CAZ | H72 | 0.7° | 90.0° |
| CBA | CAW | CAZ | H73 | 119.3° | 30.0° |
| CBA | CAW | CAZ | H74 | 120.6° | 150.0° |
| CAW | CBA | CBE | H83 | 9.4° | 0.0° |
| CAY | O1 | C4 | H32 | 7.1° | 50.0° |
| O1 | CAY | CAX | H70 | 77.0° | 55.1° |
| O1 | CAY | CAX | H71 | 40.0° | 175.0° |
| O1 | CAY | CBC | H77 | 55.1° | 180.0° |
| O1 | CAY | CBC | H78 | 175.1° | 60.0° |
| O1 | CAY | CBC | H79 | 65.0° | 60.0° |
| O1 | CAY | CBD | H80 | 47.7° | 60.0° |
| O1 | CAY | CBD | H81 | 72.3° | 60.0° |
| O1 | CAY | CBD | H82 | 167.8° | 180.0° |
| CBD | CAY | CAX | H70 | 155.2° | 175.0° |
| CBD | CAY | CAX | H71 | 87.8° | 65.1° |
| CBD | CAY | CBC | H77 | 59.7° | 60.0° |
| CBD | CAY | CBC | H78 | 60.4° | 60.0° |
| CBD | CAY | CBC | H79 | 179.7° | 179.9° |
| CAY | CBD | H80 | H81 | 120.0° | 120.1° |
| CAY | CBD | H80 | H82 | 120.0° | 119.9° |
| CAY | CBD | H81 | H82 | 120.0° | 119.9° |
| CBA | CBE | CBF | H83 | 180.0° | 180.0° |
| CBA | CBE | CBF | CBH | 177.3° | 180.0° |
| CBA | CBE | CBF | H85 | 2.7° | 0.1° |
| C16 | O17 | C18 | O2 | 15.4° | 0.0° |
| C16 | O17 | C18 | C19 | 164.4° | 180.0° |
| O17 | C16 | H1 | H2 | 121.6° | 120.0° |
| O17 | C16 | C8 | H36 | 155.9° | 54.9° |
| O17 | C18 | O2 | C19 | 179.8° | 180.0° |
| O17 | C18 | C19 | C20 | 177.9° | 180.0° |
| C18 | O17 | C16 | H1 | 46.1° | 60.0° |
| C18 | O17 | C16 | H2 | 74.9° | 59.9° |
| O17 | C18 | C19 | H3 | 62.2° | 60.0° |
| O17 | C18 | C19 | H4 | 58.1° | 60.0° |
| CBE | CBF | CBH | H85 | 180.0° | 179.9° |
| CBE | CBF | CBH | CBK | 24.7° | 0.0° |
| CBE | CBF | CBH | CBJ | 161.0° | 180.0° |
| CBF | CBE | CBA | H75 | 9.4° | 0.0° |
| CBF | CBH | CBK | CBJ | 174.3° | 180.0° |
| CBF | CBH | CBJ | CBM | 176.7° | 179.9° |
| CBH | CBF | CBE | H83 | 2.7° | 0.0° |
| CBF | CBH | CBJ | H89 | 3.3° | 0.0° |
| CBF | CBH | CBK | H90 | 180.0° | 90.0° |
| CBF | CBH | CBK | H91 | 60.0° | 150.1° |
| CBF | CBH | CBK | H92 | 60.0° | 30.0° |
| O2 | C18 | C19 | C20 | 1.9° | 0.0° |
| O2 | C18 | C19 | H3 | 117.9° | 120.0° |
| O2 | C18 | C19 | H4 | 121.7° | 120.0° |
| C18 | C19 | C20 | H3 | 119.8° | 120.0° |
| C18 | C19 | C20 | H4 | 119.9° | 120.0° |
| C18 | C19 | C20 | C21 | 177.3° | 180.0° |
| C18 | C19 | H3 | H4 | 120.5° | 120.0° |
| C18 | C19 | C20 | H5 | 62.2° | 60.0° |
| C18 | C19 | C20 | H6 | 56.7° | 60.0° |
| CBK | CBH | CBJ | CBM | 2.3° | 0.0° |
| CBK | CBH | CBF | H85 | 155.3° | 180.0° |
| CBK | CBH | CBJ | H89 | 177.7° | 180.0° |
| CBH | CBK | H90 | H91 | 120.0° | 120.0° |
| CBH | CBK | H90 | H92 | 120.0° | 120.0° |
| CBH | CBK | H91 | H92 | 120.0° | 120.0° |
| CBH | CBJ | CBM | H89 | 180.0° | 180.0° |
| CBH | CBJ | CBM | CBN | 177.3° | 180.0° |
| CBJ | CBH | CBF | H85 | 19.0° | 0.1° |
| CBJ | CBH | CBK | H90 | 5.7° | 90.0° |
| CBJ | CBH | CBK | H91 | 114.3° | 30.0° |
| CBJ | CBH | CBK | H92 | 125.7° | 150.0° |
| CBH | CBJ | CBM | H93 | 2.7° | 0.0° |
| C19 | C20 | C21 | H5 | 120.5° | 120.0° |
| C19 | C20 | C21 | H6 | 120.6° | 120.0° |
| C19 | C20 | C21 | C22 | 171.0° | 180.0° |
| C20 | C19 | H3 | H4 | 120.5° | 120.1° |
| C19 | C20 | H5 | H6 | 118.3° | 120.1° |
| C19 | C20 | C21 | H7 | 51.3° | 60.0° |
| C19 | C20 | C21 | H8 | 69.2° | 60.0° |
| CBJ | CBM | CBN | H93 | 180.0° | 179.9° |
| CBJ | CBM | CBN | CBL | 177.9° | 180.0° |
| CBJ | CBM | CBN | H94 | 2.1° | 0.1° |
| CBM | CBN | CBL | H94 | 180.0° | 180.0° |
| CBM | CBN | CBL | CBO | 10.0° | 0.0° |
| CBM | CBN | CBL | CBI | 169.8° | 180.0° |
| CBN | CBM | CBJ | H89 | 2.7° | 0.1° |
| C20 | C21 | C22 | H7 | 119.7° | 120.0° |
| C20 | C21 | C22 | H8 | 119.8° | 119.9° |
| C20 | C21 | C22 | C23 | 178.0° | 179.9° |
| C21 | C20 | C19 | H3 | 57.4° | 60.0° |
| C21 | C20 | C19 | H4 | 62.9° | 60.0° |
| C21 | C20 | H5 | H6 | 118.3° | 120.0° |
| C20 | C21 | H7 | H8 | 120.7° | 120.0° |
| C20 | C21 | C22 | H9 | 57.6° | 60.0° |
| C20 | C21 | C22 | H10 | 61.7° | 60.0° |
| CBN | CBL | CBO | CBI | 179.8° | 180.0° |
| CBN | CBL | CBI | CBG | 179.9° | 180.0° |
| CBN | CBL | CBI | H88 | 0.1° | 0.0° |
| CBL | CBN | CBM | H93 | 2.1° | 0.0° |
| CBN | CBL | CBO | H95 | 180.0° | 90.0° |
| CBN | CBL | CBO | H96 | 60.0° | 30.1° |
| CBN | CBL | CBO | H97 | 60.0° | 150.0° |
| C21 | C22 | C23 | H9 | 120.4° | 119.9° |
| C21 | C22 | C23 | H10 | 120.4° | 120.0° |
| C21 | C22 | C23 | C24 | 159.1° | 180.0° |
| C22 | C21 | C20 | H5 | 68.4° | 60.0° |
| C22 | C21 | C20 | H6 | 50.5° | 60.0° |
| C22 | C21 | H7 | H8 | 120.7° | 120.0° |
| C21 | C22 | H9 | H10 | 118.9° | 120.0° |
| C21 | C22 | C23 | H11 | 80.3° | 60.1° |
| C21 | C22 | C23 | H12 | 38.5° | 60.0° |
| CBO | CBL | CBI | CBG | 0.1° | 0.0° |
| CBO | CBL | CBI | H88 | 179.9° | 180.0° |
| CBO | CBL | CBN | H94 | 170.0° | 180.0° |
| CBL | CBO | H95 | H96 | 120.0° | 120.0° |
| CBL | CBO | H95 | H97 | 120.0° | 119.9° |
| CBL | CBO | H96 | H97 | 120.0° | 119.9° |
| CBL | CBI | CBG | H88 | 180.0° | 180.0° |
| CBL | CBI | CBG | CBB | 175.6° | 180.0° |
| CBL | CBI | CBG | H87 | 4.4° | 0.0° |
| CBI | CBL | CBN | H94 | 10.2° | 0.0° |
| CBI | CBL | CBO | H95 | 0.2° | 90.0° |
| CBI | CBL | CBO | H96 | 120.2° | 150.0° |
| CBI | CBL | CBO | H97 | 119.9° | 30.0° |
| CBI | CBG | CBB | H87 | 180.0° | 180.0° |
| CBI | CBG | CBB | CAV | 169.9° | 180.0° |
| CBI | CBG | CBB | H76 | 10.1° | 0.0° |
| C22 | C23 | C24 | H11 | 120.6° | 119.9° |
| C22 | C23 | C24 | H12 | 120.6° | 120.1° |
| C22 | C23 | C24 | C25 | 80.6° | 180.0° |
| C23 | C22 | C21 | H7 | 62.3° | 60.1° |
| C23 | C22 | C21 | H8 | 58.2° | 60.0° |
| C23 | C22 | H9 | H10 | 118.9° | 120.1° |
| C22 | C23 | H11 | H12 | 118.0° | 120.1° |
| C22 | C23 | C24 | H13 | 158.7° | 60.1° |
| C22 | C23 | C24 | H14 | 40.2° | 59.9° |
| CBG | CBB | CAV | H76 | 180.0° | 179.9° |
| CBG | CBB | CAV | CAR | 170.7° | 180.0° |
| CBG | CBB | CAV | H68 | 9.3° | 0.1° |
| CBB | CBG | CBI | H88 | 4.4° | 0.0° |
| C23 | C24 | C25 | H13 | 120.8° | 119.9° |
| C23 | C24 | C25 | H14 | 120.8° | 120.0° |
| C23 | C24 | C25 | C26 | 153.8° | 180.0° |
| C24 | C23 | C22 | H9 | 38.8° | 60.1° |
| C24 | C23 | C22 | H10 | 80.5° | 60.0° |
| C24 | C23 | H11 | H12 | 118.0° | 120.0° |
| C23 | C24 | H13 | H14 | 117.6° | 120.0° |
| C23 | C24 | C25 | H15 | 34.0° | 60.1° |
| C23 | C24 | C25 | H16 | 86.5° | 60.0° |
| CBB | CAV | CAR | H68 | 180.0° | 180.0° |
| CBB | CAV | CAR | CAQ | 163.8° | 180.0° |
| CBB | CAV | CAR | CAU | 19.7° | 0.0° |
| CAV | CBB | CBG | H87 | 10.0° | 0.0° |
| C24 | C25 | C26 | H15 | 119.7° | 120.0° |
| C24 | C25 | C26 | H16 | 119.7° | 120.0° |
| C24 | C25 | C26 | C27 | 71.6° | 180.0° |
| C25 | C24 | C23 | H11 | 40.0° | 60.0° |
| C25 | C24 | C23 | H12 | 158.8° | 60.0° |
| C25 | C24 | H13 | H14 | 117.7° | 120.1° |
| C24 | C25 | H15 | H16 | 120.8° | 120.1° |
| C24 | C25 | C26 | H17 | 48.9° | 60.0° |
| C24 | C25 | C26 | H18 | 168.0° | 60.0° |
| C25 | C26 | C27 | H17 | 120.4° | 120.0° |
| C25 | C26 | C27 | H18 | 120.5° | 120.0° |
| C25 | C26 | C27 | C28 | 105.4° | 180.0° |
| C26 | C25 | C24 | H13 | 85.5° | 60.1° |
| C26 | C25 | C24 | H14 | 33.0° | 60.1° |
| C26 | C25 | H15 | H16 | 120.8° | 120.0° |
| C25 | C26 | H17 | H18 | 118.7° | 120.1° |
| C25 | C26 | C27 | H19 | 14.5° | 60.0° |
| C25 | C26 | C27 | H20 | 134.8° | 60.0° |
| CAV | CAR | CAQ | CAU | 176.6° | 180.0° |
| CAV | CAR | CAQ | CAP | 172.7° | 180.0° |
| CAV | CAR | CAQ | H59 | 7.3° | 0.0° |
| CAV | CAR | CAU | H65 | 180.0° | 90.0° |
| CAV | CAR | CAU | H66 | 60.0° | 30.0° |
| CAV | CAR | CAU | H67 | 60.0° | 150.0° |
| CAR | CAV | CBB | H76 | 9.3° | 0.0° |
| CAK | CAH | CAI | CAD | 179.8° | 179.9° |
| CAK | CAH | CAI | CAE | 177.8° | 162.8° |
| CAK | CAH | CAD | CAJ | 0.3° | 0.4° |
| CAK | CAH | CAD | CAB | 179.8° | 179.6° |
| CAK | CAH | CAI | H47 | 56.5° | 42.6° |
| CAK | CAH | CAI | H48 | 60.9° | 76.9° |
| CAH | CAK | H50 | H51 | 120.0° | 120.0° |
| CAH | CAK | H50 | H52 | 120.0° | 120.0° |
| CAH | CAK | H51 | H52 | 120.0° | 120.0° |
| CAR | CAQ | CAP | H59 | 180.0° | 180.0° |
| CAR | CAQ | CAP | CAO | 164.7° | 180.0° |
| CAR | CAQ | CAP | H58 | 15.3° | 0.1° |
| CAQ | CAR | CAU | H65 | 3.2° | 90.0° |
| CAQ | CAR | CAU | H66 | 116.8° | 150.0° |
| CAQ | CAR | CAU | H67 | 123.2° | 30.0° |
| CAQ | CAR | CAV | H68 | 16.2° | 0.0° |
| CAU | CAR | CAQ | CAP | 3.9° | 0.0° |
| CAU | CAR | CAQ | H59 | 176.1° | 180.0° |
| CAR | CAU | H65 | H66 | 120.0° | 120.0° |
| CAR | CAU | H65 | H67 | 120.0° | 120.0° |
| CAR | CAU | H66 | H67 | 120.0° | 120.0° |
| CAU | CAR | CAV | H68 | 160.3° | 180.0° |
| CAQ | CAP | CAO | H58 | 180.0° | 179.9° |
| CAQ | CAP | CAO | CAM | 151.4° | 180.0° |
| CAQ | CAP | CAO | H57 | 28.6° | 0.0° |
| C26 | C27 | C28 | H19 | 119.9° | 119.9° |
| C26 | C27 | C28 | H20 | 119.9° | 120.0° |
| C26 | C27 | C28 | C29 | 88.2° | 180.0° |
| C27 | C26 | C25 | H15 | 168.7° | 60.0° |
| C27 | C26 | C25 | H16 | 48.2° | 60.0° |
| C27 | C26 | H17 | H18 | 118.7° | 120.0° |
| C26 | C27 | H19 | H20 | 120.5° | 120.0° |
| C26 | C27 | C28 | H21 | 32.0° | 60.1° |
| C26 | C27 | C28 | H22 | 151.6° | 60.0° |
| CAH | CAI | CAE | H47 | 121.3° | 120.2° |
| CAH | CAI | CAE | H48 | 121.3° | 120.2° |
| CAH | CAI | CAE | CAC | 16.8° | 49.9° |
| CAI | CAH | CAD | CAJ | 179.9° | 179.5° |
| CAI | CAH | CAD | CAB | 0.0° | 0.5° |
| CAH | CAI | CAE | H39 | 137.7° | 69.8° |
| CAH | CAI | CAE | H40 | 104.1° | 169.7° |
| CAH | CAI | H47 | H48 | 116.0° | 119.7° |
| CAI | CAH | CAK | H50 | 180.0° | 89.5° |
| CAI | CAH | CAK | H51 | 60.0° | 30.5° |
| CAI | CAH | CAK | H52 | 60.0° | 150.5° |
| CAE | CAI | CAH | CAD | 2.0° | 17.2° |
| CAI | CAE | CAC | H39 | 120.9° | 119.7° |
| CAI | CAE | CAC | H40 | 120.9° | 120.0° |
| CAI | CAE | CAC | CAB | 36.4° | 68.2° |
| CAI | CAE | CAC | H37 | 84.7° | 172.0° |
| CAI | CAE | CAC | H38 | 157.5° | 51.6° |
| CAI | CAE | H39 | H40 | 117.3° | 120.6° |
| CAE | CAI | H47 | H48 | 116.0° | 119.7° |
| CAH | CAD | CAB | CAG | 103.4° | 102.9° |
| CAH | CAD | CAJ | CAL | 148.5° | 57.1° |
| CAH | CAD | CAJ | CAB | 179.9° | 180.0° |
| CAH | CAD | CAB | CAC | 19.4° | 17.2° |
| CAH | CAD | CAB | CAF | 141.0° | 137.4° |
| CAD | CAH | CAI | H47 | 123.3° | 137.4° |
| CAD | CAH | CAI | H48 | 119.2° | 103.0° |
| CAH | CAD | CAJ | H49 | 31.4° | 122.9° |
| CAD | CAH | CAK | H50 | 0.1° | 90.6° |
| CAD | CAH | CAK | H51 | 120.2° | 149.4° |
| CAD | CAH | CAK | H52 | 119.8° | 29.4° |
| CAP | CAO | CAM | H57 | 180.0° | 180.0° |
| CAP | CAO | CAM | CAN | 1.2° | 0.0° |
| CAP | CAO | CAM | CAL | 175.4° | 180.0° |
| CAO | CAP | CAQ | H59 | 15.3° | 0.0° |
| CAO | CAM | CAN | CAL | 176.9° | 180.0° |
| CAO | CAM | CAL | CAJ | 168.9° | 180.0° |
| CAO | CAM | CAL | H53 | 11.1° | 0.0° |
| CAO | CAM | CAN | H54 | 180.0° | 90.0° |
| CAO | CAM | CAN | H55 | 60.0° | 30.0° |
| CAO | CAM | CAN | H56 | 60.0° | 149.9° |
| CAM | CAO | CAP | H58 | 28.6° | 0.1° |
| CAG | CAB | CAC | CAE | 85.8° | 70.2° |
| CAG | CAB | CAD | CAJ | 76.5° | 77.1° |
| CAG | CAB | CAD | CAC | 122.9° | 120.1° |
| CAG | CAB | CAD | CAF | 115.6° | 119.7° |
| CAG | CAB | CAC | CAF | 112.4° | 119.8° |
| CAG | CAB | CAC | H37 | 153.2° | 49.6° |
| CAG | CAB | CAC | H38 | 35.3° | 169.9° |
| CAG | CAB | CAF | H41 | 180.0° | 65.0° |
| CAG | CAB | CAF | H42 | 60.0° | 55.0° |
| CAG | CAB | CAF | H43 | 60.0° | 175.0° |
| CAB | CAG | H44 | H45 | 120.0° | 120.0° |
| CAB | CAG | H44 | H46 | 120.0° | 120.0° |
| CAB | CAG | H45 | H46 | 120.0° | 120.0° |
| CAN | CAM | CAL | CAJ | 7.8° | 0.0° |
| CAN | CAM | CAL | H53 | 172.2° | 180.0° |
| CAM | CAN | H54 | H55 | 120.0° | 119.9° |
| CAM | CAN | H54 | H56 | 120.0° | 120.0° |
| CAM | CAN | H55 | H56 | 120.0° | 120.0° |
| CAN | CAM | CAO | H57 | 178.8° | 180.0° |
| CAM | CAL | CAJ | H53 | 180.0° | 180.0° |
| CAM | CAL | CAJ | CAD | 176.5° | 174.7° |
| CAM | CAL | CAJ | H49 | 3.5° | 5.3° |
| CAL | CAM | CAN | H54 | 3.1° | 90.1° |
| CAL | CAM | CAN | H55 | 123.1° | 150.0° |
| CAL | CAM | CAN | H56 | 116.9° | 30.0° |
| CAL | CAM | CAO | H57 | 4.6° | 0.0° |
| CAE | CAC | CAB | CAD | 38.5° | 49.9° |
| CAE | CAC | CAB | H37 | 121.1° | 119.8° |
| CAE | CAC | CAB | H38 | 121.1° | 119.9° |
| CAE | CAC | CAB | CAF | 161.9° | 170.0° |
| CAE | CAC | H37 | H38 | 116.7° | 120.6° |
| CAC | CAE | H39 | H40 | 117.2° | 120.4° |
| CAC | CAE | CAI | H47 | 104.5° | 170.0° |
| CAC | CAE | CAI | H48 | 138.1° | 70.4° |
| CAL | CAJ | CAD | H49 | 180.0° | 180.0° |
| CAL | CAJ | CAD | CAB | 31.4° | 122.9° |
| CAJ | CAD | CAB | CAC | 160.7° | 162.8° |
| CAJ | CAD | CAB | CAF | 39.1° | 42.6° |
| CAD | CAJ | CAL | H53 | 3.5° | 5.3° |
| C27 | C28 | C29 | H21 | 120.2° | 120.0° |
| C27 | C28 | C29 | H22 | 120.2° | 120.0° |
| C27 | C28 | C29 | C30 | 137.4° | 180.0° |
| C28 | C27 | C26 | H17 | 134.2° | 60.0° |
| C28 | C27 | C26 | H18 | 15.1° | 60.0° |
| C28 | C27 | H19 | H20 | 120.5° | 120.1° |
| C27 | C28 | H21 | H22 | 119.3° | 120.1° |
| C27 | C28 | C29 | H23 | 16.7° | 60.0° |
| C27 | C28 | C29 | H24 | 101.9° | 60.0° |
| CAD | CAB | CAC | CAF | 123.4° | 120.2° |
| CAD | CAB | CAC | H37 | 82.6° | 169.6° |
| CAD | CAB | CAC | H38 | 159.6° | 70.0° |
| CAD | CAB | CAF | H41 | 61.0° | 175.4° |
| CAD | CAB | CAF | H42 | 179.0° | 64.6° |
| CAD | CAB | CAF | H43 | 59.0° | 55.4° |
| CAD | CAB | CAG | H44 | 180.0° | 60.6° |
| CAD | CAB | CAG | H45 | 60.0° | 59.4° |
| CAD | CAB | CAG | H46 | 60.0° | 179.4° |
| CAB | CAD | CAJ | H49 | 148.6° | 57.1° |
| C28 | C29 | C30 | H23 | 120.7° | 120.0° |
| C28 | C29 | C30 | H24 | 120.7° | 119.9° |
| C28 | C29 | C30 | C31 | 178.7° | 180.0° |
| C29 | C28 | C27 | H19 | 151.9° | 60.0° |
| C29 | C28 | C27 | H20 | 31.6° | 60.0° |
| C29 | C28 | H21 | H22 | 119.3° | 120.0° |
| C28 | C29 | H23 | H24 | 117.8° | 120.0° |
| C28 | C29 | C30 | H25 | 58.9° | 60.0° |
| C28 | C29 | C30 | H26 | 61.6° | 60.1° |
| C29 | C30 | C31 | H25 | 119.7° | 120.0° |
| C29 | C30 | C31 | H26 | 119.8° | 119.9° |
| C29 | C30 | C31 | C32 | 175.6° | 179.9° |
| C30 | C29 | C28 | H21 | 102.4° | 60.0° |
| C30 | C29 | C28 | H22 | 17.2° | 60.0° |
| C30 | C29 | H23 | H24 | 117.8° | 120.0° |
| C29 | C30 | H25 | H26 | 120.8° | 120.0° |
| C29 | C30 | C31 | H27 | 64.3° | 60.0° |
| C29 | C30 | C31 | H28 | 55.5° | 60.0° |
| CAB | CAC | H37 | H38 | 116.7° | 120.3° |
| CAB | CAC | CAE | H39 | 157.3° | 51.5° |
| CAB | CAC | CAE | H40 | 84.5° | 171.8° |
| CAC | CAB | CAF | H41 | 65.6° | 54.7° |
| CAC | CAB | CAF | H42 | 54.4° | 174.7° |
| CAC | CAB | CAF | H43 | 174.4° | 65.2° |
| CAC | CAB | CAG | H44 | 52.7° | 60.0° |
| CAC | CAB | CAG | H45 | 67.4° | 180.0° |
| CAC | CAB | CAG | H46 | 172.7° | 60.0° |
| CAF | CAB | CAC | H37 | 40.8° | 70.2° |
| CAF | CAB | CAC | H38 | 77.1° | 50.1° |
| CAB | CAF | H41 | H42 | 120.0° | 120.0° |
| CAB | CAF | H41 | H43 | 120.0° | 120.0° |
| CAB | CAF | H42 | H43 | 120.0° | 120.1° |
| CAF | CAB | CAG | H44 | 61.1° | 179.8° |
| CAF | CAB | CAG | H45 | 178.9° | 60.3° |
| CAF | CAB | CAG | H46 | 58.9° | 59.8° |
| C30 | C31 | C32 | H27 | 120.1° | 120.0° |
| C30 | C31 | C32 | H28 | 120.1° | 120.0° |
| C31 | C30 | C29 | H23 | 60.6° | 60.0° |
| C31 | C30 | C29 | H24 | 58.0° | 60.0° |
| C31 | C30 | H25 | H26 | 120.7° | 120.1° |
| C30 | C31 | H27 | H28 | 119.7° | 120.1° |
| C30 | C31 | C32 | H29 | 180.0° | 60.0° |
| C30 | C31 | C32 | H30 | 60.0° | 180.0° |
| C30 | C31 | C32 | H31 | 60.0° | 60.0° |
| C32 | C31 | C30 | H25 | 55.9° | 60.1° |
| C32 | C31 | C30 | H26 | 64.6° | 60.0° |
| C32 | C31 | H27 | H28 | 119.7° | 120.0° |
| C31 | C32 | H29 | H30 | 120.0° | 120.0° |
| C31 | C32 | H29 | H31 | 120.0° | 120.0° |
| C31 | C32 | H30 | H31 | 120.0° | 119.9° |
| H1 | C16 | C8 | H36 | 36.4° | 65.1° |
| H2 | C16 | C8 | H36 | 84.6° | 175.0° |
| H3 | C19 | C20 | H5 | 178.0° | 180.0° |
| H3 | C19 | C20 | H6 | 63.1° | 59.9° |
| H4 | C19 | C20 | H5 | 57.7° | 60.0° |
| H4 | C19 | C20 | H6 | 176.5° | NaN° |
| H5 | C20 | C21 | H7 | 171.8° | 180.0° |
| H5 | C20 | C21 | H8 | 51.3° | 60.0° |
| H6 | C20 | C21 | H7 | 69.3° | 60.0° |
| H6 | C20 | C21 | H8 | 170.2° | 180.0° |
| H7 | C21 | C22 | H9 | 177.3° | 180.0° |
| H7 | C21 | C22 | H10 | 58.1° | 60.0° |
| H8 | C21 | C22 | H9 | 62.2° | 59.9° |
| H8 | C21 | C22 | H10 | 178.5° | 180.0° |
| H9 | C22 | C23 | H11 | 159.4° | 180.0° |
| H9 | C22 | C23 | H12 | 81.9° | 59.9° |
| H10 | C22 | C23 | H11 | 40.1° | 59.9° |
| H10 | C22 | C23 | H12 | 158.9° | 180.0° |
| H11 | C23 | C24 | H13 | 80.7° | NaN° |
| H11 | C23 | C24 | H14 | 160.8° | 60.0° |
| H12 | C23 | C24 | H13 | 38.0° | 60.0° |
| H12 | C23 | C24 | H14 | 80.4° | 180.0° |
| H13 | C24 | C25 | H15 | 154.8° | 180.0° |
| H13 | C24 | C25 | H16 | 34.3° | 59.9° |
| H14 | C24 | C25 | H15 | 86.7° | 59.9° |
| H14 | C24 | C25 | H16 | 152.7° | 180.0° |
| H15 | C25 | C26 | H17 | 70.8° | 180.0° |
| H15 | C25 | C26 | H18 | 48.3° | 60.0° |
| H16 | C25 | C26 | H17 | 168.6° | 59.9° |
| H16 | C25 | C26 | H18 | 72.3° | 180.0° |
| H17 | C26 | C27 | H19 | 105.9° | 180.0° |
| H17 | C26 | C27 | H20 | 14.4° | 60.0° |
| H18 | C26 | C27 | H19 | 135.0° | 60.0° |
| H18 | C26 | C27 | H20 | 104.8° | 180.0° |
| H19 | C27 | C28 | H21 | 87.9° | 180.0° |
| H19 | C27 | C28 | H22 | 31.7° | 59.9° |
| H20 | C27 | C28 | H21 | 151.9° | 59.9° |
| H20 | C27 | C28 | H22 | 88.6° | NaN° |
| H21 | C28 | C29 | H23 | 136.9° | 180.0° |
| H21 | C28 | C29 | H24 | 18.3° | 60.0° |
| H22 | C28 | C29 | H23 | 103.6° | 60.0° |
| H22 | C28 | C29 | H24 | 137.9° | 180.0° |
| H23 | C29 | C30 | H25 | 179.6° | 180.0° |
| H23 | C29 | C30 | H26 | 59.1° | 60.0° |
| H24 | C29 | C30 | H25 | 61.8° | 60.0° |
| H24 | C29 | C30 | H26 | 177.7° | 180.0° |
| H25 | C30 | C31 | H27 | 176.0° | 180.0° |
| H25 | C30 | C31 | H28 | 64.2° | 59.9° |
| H26 | C30 | C31 | H27 | 55.5° | 59.9° |
| H26 | C30 | C31 | H28 | 175.3° | 180.0° |
| H27 | C31 | C32 | H29 | 59.8° | 60.0° |
| H27 | C31 | C32 | H30 | 179.9° | 60.1° |
| H27 | C31 | C32 | H31 | 60.1° | 180.0° |
| H28 | C31 | C32 | H29 | 59.9° | 180.0° |
| H28 | C31 | C32 | H30 | 60.1° | 59.9° |
| H28 | C31 | C32 | H31 | 179.9° | 60.0° |
| H29 | C32 | H30 | H31 | 120.0° | 120.1° |
| H32 | C4 | C5 | H33 | 66.1° | 57.6° |
| H33 | C5 | C6 | H34 | 114.5° | 177.2° |
| H33 | C5 | O12 | H98 | 59.6° | 60.0° |
| H34 | C6 | C7 | H35 | 174.6° | 177.2° |
| H34 | C6 | O13 | H99 | 61.0° | 59.8° |
| H35 | C7 | C8 | H36 | 177.2° | 177.7° |
| H35 | C7 | O15 | H100 | 59.3° | 60.1° |
| H37 | CAC | CAE | H39 | 36.2° | 68.3° |
| H37 | CAC | CAE | H40 | 154.4° | 52.1° |
| H38 | CAC | CAE | H39 | 81.6° | 171.3° |
| H38 | CAC | CAE | H40 | 36.6° | 68.4° |
| H39 | CAE | CAI | H47 | 16.4° | 50.4° |
| H39 | CAE | CAI | H48 | 101.1° | 169.9° |
| H40 | CAE | CAI | H47 | 134.6° | 70.1° |
| H40 | CAE | CAI | H48 | 17.2° | 49.5° |
| H41 | CAF | H42 | H43 | 120.0° | 120.0° |
| H44 | CAG | H45 | H46 | 120.0° | 120.0° |
| H49 | CAJ | CAL | H53 | 176.5° | 174.7° |
| H50 | CAK | H51 | H52 | 120.0° | 119.9° |
| H54 | CAN | H55 | H56 | 119.9° | 120.1° |
| H57 | CAO | CAP | H58 | 151.4° | 180.0° |
| H58 | CAP | CAQ | H59 | 164.7° | 180.0° |
| H61 | CAS | CAT | H63 | 141.0° | 60.0° |
| H61 | CAS | CAT | H64 | 101.3° | 179.9° |
| H62 | CAS | CAT | H63 | 22.2° | 179.9° |
| H62 | CAS | CAT | H64 | 140.0° | 60.0° |
| H63 | CAT | CAX | H70 | 1.2° | 180.0° |
| H63 | CAT | CAX | H71 | 115.8° | 59.9° |
| H64 | CAT | CAX | H70 | 116.5° | 60.0° |
| H64 | CAT | CAX | H71 | 126.4° | 180.0° |
| H65 | CAU | H66 | H67 | 120.0° | 119.9° |
| H68 | CAV | CBB | H76 | 170.7° | 180.0° |
| H72 | CAZ | H73 | H74 | 120.0° | 120.0° |
| H75 | CBA | CBE | H83 | 170.6° | 180.0° |
| H76 | CBB | CBG | H87 | 169.9° | 180.0° |
| H77 | CBC | H78 | H79 | 120.0° | 120.0° |
| H80 | CBD | H81 | H82 | 120.0° | 120.0° |
| H83 | CBE | CBF | H85 | 177.3° | 180.0° |
| H87 | CBG | CBI | H88 | 175.5° | 180.0° |
| H89 | CBJ | CBM | H93 | 177.3° | 180.0° |
| H90 | CBK | H91 | H92 | 120.0° | 120.1° |
| H93 | CBM | CBN | H94 | 177.9° | NaN° |
| H95 | CBO | H96 | H97 | 120.0° | 120.0° |
