2XU
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OAJ | CBL | sing | 1.43Å | 1.43Å | |
| CBL | CBI | sing | 1.53Å | 1.52Å | |
| OAO | CBH | sing | 1.43Å | 1.46Å | |
| O7 | C7 | doub | 1.21Å | 1.23Å | |
| O3 | C3 | sing | 1.43Å | 1.47Å | |
| O | C | doub | 1.21Å | 1.23Å | |
| C7 | C8 | sing | 1.51Å | 1.50Å | |
| C7 | N2 | sing | 1.35Å | 1.33Å | |
| CBI | CBH | sing | 1.53Å | 1.53Å | |
| CBI | OBF | sing | 1.43Å | 1.43Å | |
| CBH | CBN | sing | 1.53Å | 1.54Å | |
| OBF | CBG | sing | 1.43Å | 1.43Å | |
| N2 | C2 | sing | 1.46Å | 1.48Å | |
| NBQ | NBR | doub | 1.29Å | 1.23Å | Aromatic |
| NBQ | CBP | sing | 1.34Å | 1.33Å | Aromatic |
| NBR | N | sing | 1.29Å | 1.30Å | Aromatic |
| OAP | CAE | sing | 1.36Å | 1.37Å | |
| CAD | CAE | doub | 1.38Å | 1.40Å | Aromatic |
| CAD | CAF | sing | 1.40Å | 1.40Å | Aromatic |
| C | CAF | sing | 1.47Å | 1.39Å | |
| C | CA | sing | 1.51Å | 1.54Å | |
| C3 | C2 | sing | 1.53Å | 1.46Å | |
| C3 | C4 | sing | 1.53Å | 1.47Å | |
| C2 | C1 | sing | 1.53Å | 1.53Å | |
| CAE | CAC | sing | 1.39Å | 1.39Å | Aromatic |
| CAF | CAH | doub | 1.40Å | 1.39Å | Aromatic |
| CBP | CBO | sing | 1.51Å | 1.54Å | |
| CBP | CAX | doub | 1.35Å | 1.33Å | Aromatic |
| CBN | OBJ | sing | 1.43Å | 1.45Å | |
| CBN | CBM | sing | 1.53Å | 1.49Å | |
| CBG | CBM | sing | 1.53Å | 1.50Å | |
| CBG | O4 | sing | 1.43Å | 1.42Å | |
| CBO | OBJ | sing | 1.43Å | 1.44Å | |
| N | CA | sing | 1.46Å | 1.52Å | |
| N | CAX | sing | 1.35Å | 1.34Å | Aromatic |
| CBM | OBK | sing | 1.43Å | 1.46Å | |
| O4 | C4 | sing | 1.43Å | 1.44Å | |
| C4 | C5 | sing | 1.53Å | 1.55Å | |
| CAC | CAA | doub | 1.38Å | 1.39Å | Aromatic |
| CAH | CAA | sing | 1.38Å | 1.39Å | Aromatic |
| C1 | O1 | sing | 1.43Å | 1.43Å | |
| C1 | O5 | sing | 1.43Å | 1.48Å | |
| O1 | CBC | sing | 1.43Å | 1.43Å | |
| C5 | O5 | sing | 1.43Å | 1.45Å | |
| C5 | C6 | sing | 1.53Å | 1.54Å | |
| CBE | CBD | sing | 1.53Å | 1.54Å | |
| O6 | C6 | sing | 1.43Å | 1.43Å | |
| CBD | CBC | sing | 1.53Å | 1.54Å | |
| C8 | H1 | sing | 1.09Å | 1.10Å | |
| C8 | H2 | sing | 1.09Å | 1.10Å | |
| C8 | H3 | sing | 1.09Å | 1.10Å | |
| N2 | H4 | sing | 0.97Å | 1.00Å | |
| C2 | H5 | sing | 1.09Å | 1.10Å | |
| C3 | H6 | sing | 1.09Å | 1.10Å | |
| O3 | H7 | sing | 0.97Å | 0.95Å | |
| C1 | H8 | sing | 1.09Å | 1.10Å | |
| CBC | H9 | sing | 1.09Å | 1.10Å | |
| CBC | H10 | sing | 1.09Å | 1.10Å | |
| CBD | H11 | sing | 1.09Å | 1.10Å | |
| CBD | H12 | sing | 1.09Å | 1.10Å | |
| CBE | H13 | sing | 1.09Å | 1.10Å | |
| CBE | H14 | sing | 1.09Å | 1.10Å | |
| CBE | H15 | sing | 1.09Å | 1.10Å | |
| C5 | H16 | sing | 1.09Å | 1.10Å | |
| C6 | H17 | sing | 1.09Å | 1.10Å | |
| C6 | H18 | sing | 1.09Å | 1.10Å | |
| O6 | H19 | sing | 0.97Å | 0.95Å | |
| C4 | H20 | sing | 1.09Å | 1.10Å | |
| CBG | H21 | sing | 1.09Å | 1.10Å | |
| CBM | H22 | sing | 1.09Å | 1.10Å | |
| OBK | H23 | sing | 0.97Å | 0.95Å | |
| CBI | H24 | sing | 1.09Å | 1.10Å | |
| CBL | H25 | sing | 1.09Å | 1.10Å | |
| CBL | H26 | sing | 1.09Å | 1.10Å | |
| OAJ | H27 | sing | 0.97Å | 0.95Å | |
| CBH | H28 | sing | 1.09Å | 1.10Å | |
| OAO | H29 | sing | 0.97Å | 0.95Å | |
| CBN | H30 | sing | 1.09Å | 1.10Å | |
| CBO | H31 | sing | 1.09Å | 1.10Å | |
| CBO | H32 | sing | 1.09Å | 1.10Å | |
| CAX | H33 | sing | 1.08Å | 1.08Å | |
| CA | H34 | sing | 1.09Å | 1.10Å | |
| CA | H35 | sing | 1.09Å | 1.10Å | |
| CAD | H36 | sing | 1.08Å | 1.08Å | |
| OAP | H37 | sing | 0.97Å | 0.95Å | |
| CAC | H38 | sing | 1.08Å | 1.08Å | |
| CAA | H39 | sing | 1.08Å | 1.08Å | |
| CAH | H40 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OAJ | CBL | CBI | 109.1° | 109.5° |
| OAJ | CBL | H25 | 109.5° | 109.5° |
| OAJ | CBL | H26 | 109.5° | 109.5° |
| CBL | OAJ | H27 | 109.5° | 114.0° |
| CBL | CBI | CBH | 113.3° | 109.5° |
| CBL | CBI | OBF | 105.6° | 109.4° |
| CBL | CBI | H24 | 108.9° | 109.5° |
| CBI | CBL | H25 | 109.6° | 109.5° |
| CBI | CBL | H26 | 109.6° | 109.5° |
| OAO | CBH | CBI | 109.8° | 109.5° |
| OAO | CBH | CBN | 107.7° | 109.5° |
| OAO | CBH | H28 | 110.9° | 109.6° |
| CBH | OAO | H29 | 109.5° | 114.0° |
| O7 | C7 | C8 | 121.8° | 120.0° |
| O7 | C7 | N2 | 124.4° | 120.0° |
| O3 | C3 | C2 | 101.8° | 109.5° |
| O3 | C3 | C4 | 103.9° | 109.5° |
| O3 | C3 | H6 | 113.6° | 109.6° |
| C3 | O3 | H7 | 109.5° | 114.0° |
| O | C | CAF | 118.5° | 120.0° |
| O | C | CA | 118.4° | 120.0° |
| C8 | C7 | N2 | 113.7° | 120.0° |
| C7 | C8 | H1 | 109.5° | 109.5° |
| C7 | C8 | H2 | 109.4° | 109.5° |
| C7 | C8 | H3 | 109.5° | 109.5° |
| C7 | N2 | C2 | 125.6° | 119.9° |
| C7 | N2 | H4 | 117.2° | 120.0° |
| CBH | CBI | OBF | 110.0° | 109.4° |
| CBI | CBH | CBN | 108.9° | 109.2° |
| CBH | CBI | H24 | 108.8° | 109.5° |
| CBI | CBH | H28 | 109.8° | 109.5° |
| CBI | OBF | CBG | 111.8° | 114.1° |
| OBF | CBI | H24 | 110.2° | 109.5° |
| CBH | CBN | OBJ | 110.7° | 109.6° |
| CBH | CBN | CBM | 107.2° | 109.0° |
| CBN | CBH | H28 | 109.7° | 109.5° |
| CBH | CBN | H30 | 109.0° | 109.5° |
| OBF | CBG | CBM | 111.7° | 109.4° |
| OBF | CBG | O4 | 108.4° | 109.5° |
| OBF | CBG | H21 | 109.8° | 109.5° |
| N2 | C2 | C3 | 108.2° | 109.5° |
| N2 | C2 | C1 | 109.2° | 109.6° |
| C2 | N2 | H4 | 117.2° | 120.0° |
| N2 | C2 | H5 | 110.1° | 109.5° |
| NBR | NBQ | CBP | 108.0° | 108.9° |
| NBQ | NBR | N | 111.3° | 110.2° |
| NBQ | CBP | CBO | 123.6° | 126.8° |
| NBQ | CBP | CAX | 108.7° | 106.5° |
| NBR | N | CA | 120.2° | 125.9° |
| NBR | N | CAX | 107.9° | 108.2° |
| OAP | CAE | CAD | 121.4° | 119.9° |
| OAP | CAE | CAC | 119.4° | 120.0° |
| CAE | OAP | H37 | 109.5° | 114.0° |
| CAE | CAD | CAF | 120.9° | 119.8° |
| CAD | CAE | CAC | 119.2° | 120.1° |
| CAE | CAD | H36 | 119.5° | 120.1° |
| CAD | CAF | C | 118.4° | 120.1° |
| CAD | CAF | CAH | 118.7° | 119.7° |
| CAF | CAD | H36 | 119.5° | 120.1° |
| CAF | C | CA | 118.9° | 120.0° |
| C | CAF | CAH | 121.8° | 120.1° |
| C | CA | N | 107.6° | 109.5° |
| C | CA | H34 | 109.9° | 109.5° |
| C | CA | H35 | 109.9° | 109.4° |
| C2 | C3 | C4 | 108.7° | 109.1° |
| C3 | C2 | C1 | 109.3° | 109.1° |
| C3 | C2 | H5 | 110.5° | 109.6° |
| C2 | C3 | H6 | 114.0° | 109.5° |
| C3 | C4 | O4 | 107.6° | 109.5° |
| C3 | C4 | C5 | 108.2° | 109.2° |
| C4 | C3 | H6 | 113.8° | 109.5° |
| C3 | C4 | H20 | 110.5° | 109.5° |
| C2 | C1 | O1 | 110.7° | 109.5° |
| C2 | C1 | O5 | 110.2° | 109.4° |
| C1 | C2 | H5 | 109.4° | 109.5° |
| C2 | C1 | H8 | 106.2° | 109.5° |
| CAE | CAC | CAA | 119.9° | 120.3° |
| CAE | CAC | H38 | 120.1° | 119.8° |
| CAF | CAH | CAA | 120.0° | 119.9° |
| CAF | CAH | H40 | 120.0° | 120.0° |
| CBO | CBP | CAX | 127.7° | 126.7° |
| CBP | CBO | OBJ | 109.6° | 109.5° |
| CBP | CBO | H31 | 109.4° | 109.5° |
| CBP | CBO | H32 | 109.4° | 109.5° |
| CBP | CAX | N | 104.2° | 106.2° |
| CBP | CAX | H33 | 127.9° | 126.9° |
| OBJ | CBN | CBM | 109.9° | 109.5° |
| CBN | OBJ | CBO | 115.5° | 114.0° |
| OBJ | CBN | H30 | 110.2° | 109.6° |
| CBN | CBM | CBG | 108.9° | 109.2° |
| CBN | CBM | OBK | 105.0° | 109.5° |
| CBN | CBM | H22 | 112.1° | 109.6° |
| CBM | CBN | H30 | 109.7° | 109.6° |
| CBM | CBG | O4 | 108.3° | 109.5° |
| CBG | CBM | OBK | 106.0° | 109.5° |
| CBM | CBG | H21 | 108.8° | 109.5° |
| CBG | CBM | H22 | 111.9° | 109.5° |
| CBG | O4 | C4 | 130.4° | 114.0° |
| O4 | CBG | H21 | 109.8° | 109.4° |
| OBJ | CBO | H31 | 109.4° | 109.5° |
| OBJ | CBO | H32 | 109.4° | 109.5° |
| CA | N | CAX | 131.9° | 125.9° |
| N | CA | H34 | 109.9° | 109.5° |
| N | CA | H35 | 109.9° | 109.5° |
| N | CAX | H33 | 127.9° | 126.9° |
| OBK | CBM | H22 | 112.5° | 109.5° |
| CBM | OBK | H23 | 109.5° | 114.0° |
| O4 | C4 | C5 | 110.2° | 109.5° |
| O4 | C4 | H20 | 110.9° | 109.6° |
| C4 | C5 | O5 | 110.9° | 109.4° |
| C4 | C5 | C6 | 112.4° | 109.5° |
| C4 | C5 | H16 | 107.9° | 109.5° |
| C5 | C4 | H20 | 109.4° | 109.5° |
| CAC | CAA | CAH | 120.6° | 120.2° |
| CAA | CAC | H38 | 120.1° | 119.9° |
| CAC | CAA | H39 | 119.7° | 119.9° |
| CAH | CAA | H39 | 119.7° | 119.9° |
| CAA | CAH | H40 | 120.0° | 120.0° |
| O1 | C1 | O5 | 114.9° | 109.5° |
| C1 | O1 | CBC | 109.5° | 114.1° |
| O1 | C1 | H8 | 107.5° | 109.4° |
| C1 | O5 | C5 | 106.7° | 114.1° |
| O5 | C1 | H8 | 106.9° | 109.5° |
| O1 | CBC | CBD | 105.6° | 109.5° |
| O1 | CBC | H9 | 110.4° | 109.5° |
| O1 | CBC | H10 | 110.4° | 109.4° |
| O5 | C5 | C6 | 108.3° | 109.5° |
| O5 | C5 | H16 | 109.2° | 109.5° |
| C5 | C6 | O6 | 110.2° | 109.5° |
| C6 | C5 | H16 | 108.0° | 109.5° |
| C5 | C6 | H17 | 109.3° | 109.5° |
| C5 | C6 | H18 | 109.3° | 109.4° |
| CBE | CBD | CBC | 116.4° | 109.5° |
| CBE | CBD | H11 | 107.7° | 109.5° |
| CBE | CBD | H12 | 107.7° | 109.5° |
| CBD | CBE | H13 | 109.5° | 109.5° |
| CBD | CBE | H14 | 109.5° | 109.5° |
| CBD | CBE | H15 | 109.4° | 109.5° |
| O6 | C6 | H17 | 109.3° | 109.5° |
| O6 | C6 | H18 | 109.3° | 109.5° |
| C6 | O6 | H19 | 109.5° | 114.0° |
| CBD | CBC | H9 | 110.4° | 109.5° |
| CBD | CBC | H10 | 110.4° | 109.5° |
| CBC | CBD | H11 | 107.7° | 109.5° |
| CBC | CBD | H12 | 107.7° | 109.4° |
| H1 | C8 | H2 | 109.5° | 109.5° |
| H1 | C8 | H3 | 109.4° | 109.5° |
| H2 | C8 | H3 | 109.5° | 109.4° |
| H9 | CBC | H10 | 109.5° | 109.5° |
| H11 | CBD | H12 | 109.5° | 109.4° |
| H13 | CBE | H14 | 109.5° | 109.4° |
| H13 | CBE | H15 | 109.5° | 109.5° |
| H14 | CBE | H15 | 109.4° | 109.5° |
| H17 | C6 | H18 | 109.5° | 109.4° |
| H25 | CBL | H26 | 109.5° | 109.5° |
| H31 | CBO | H32 | 109.5° | 109.4° |
| H34 | CA | H35 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OAJ | CBL | CBI | H25 | 119.9° | 120.0° |
| OAJ | CBL | CBI | H26 | 119.9° | 120.0° |
| OAJ | CBL | CBI | CBH | 178.7° | 175.0° |
| OAJ | CBL | CBI | OBF | 60.9° | 65.1° |
| OAJ | CBL | CBI | H24 | 57.4° | 55.0° |
| OAJ | CBL | H25 | H26 | 120.1° | 120.0° |
| CBL | CBI | CBH | OAO | 58.8° | 57.7° |
| CBL | CBI | CBH | OBF | 117.9° | 119.9° |
| CBL | CBI | CBH | H24 | 121.3° | 120.1° |
| CBL | CBI | OBF | H24 | 117.5° | 120.0° |
| CBL | CBI | CBH | CBN | 176.4° | 177.6° |
| CBL | CBI | OBF | CBG | 178.9° | 178.9° |
| CBI | CBL | H25 | H26 | 120.2° | 120.0° |
| CBI | CBL | OAJ | H27 | 180.0° | 180.0° |
| CBL | CBI | CBH | H28 | 63.4° | 62.5° |
| OAO | CBH | CBI | CBN | 117.7° | 119.9° |
| OAO | CBH | CBI | H28 | 122.2° | 120.2° |
| OAO | CBH | CBI | OBF | 59.1° | 62.3° |
| OAO | CBH | CBN | H28 | 120.8° | 120.1° |
| OAO | CBH | CBN | OBJ | 60.1° | 56.9° |
| OAO | CBH | CBN | CBM | 59.8° | 63.0° |
| OAO | CBH | CBI | H24 | 179.9° | 177.7° |
| OAO | CBH | CBN | H30 | 178.4° | 177.2° |
| O7 | C7 | C8 | N2 | 178.5° | 180.0° |
| O7 | C7 | N2 | C2 | 178.4° | 0.0° |
| O7 | C7 | C8 | H1 | 0.0° | 120.0° |
| O7 | C7 | C8 | H2 | 120.0° | 0.1° |
| O7 | C7 | C8 | H3 | 120.0° | 119.9° |
| O7 | C7 | N2 | H4 | 1.6° | 180.0° |
| O3 | C3 | C2 | N2 | 70.9° | 63.2° |
| O3 | C3 | C2 | C4 | 109.2° | 119.9° |
| O3 | C3 | C2 | H6 | 122.8° | 120.2° |
| O3 | C3 | C4 | H6 | 124.0° | 120.2° |
| O3 | C3 | C2 | C1 | 170.3° | 176.9° |
| O3 | C3 | C4 | O4 | 72.7° | 63.3° |
| O3 | C3 | C4 | C5 | 168.2° | 176.9° |
| O3 | C3 | C2 | H5 | 49.8° | 57.0° |
| O3 | C3 | C4 | H20 | 48.5° | 57.0° |
| O | C | CAF | CAD | 49.6° | 0.3° |
| O | C | CAF | CA | 156.7° | 180.0° |
| O | C | CAF | CAH | 142.8° | 180.0° |
| O | C | CA | N | 38.7° | 0.0° |
| O | C | CA | H34 | 158.4° | 120.0° |
| O | C | CA | H35 | 81.0° | 120.0° |
| C8 | C7 | N2 | C2 | 0.0° | 180.0° |
| C7 | C8 | H1 | H2 | 120.0° | 120.0° |
| C7 | C8 | H1 | H3 | 120.0° | 120.0° |
| C7 | C8 | H2 | H3 | 120.0° | 119.9° |
| C8 | C7 | N2 | H4 | 179.9° | 0.0° |
| C7 | N2 | C2 | H4 | 180.0° | 180.0° |
| C7 | N2 | C2 | C3 | 151.5° | 155.3° |
| C7 | N2 | C2 | C1 | 89.6° | 85.0° |
| N2 | C7 | C8 | H1 | 178.5° | 60.0° |
| N2 | C7 | C8 | H2 | 58.5° | 179.9° |
| N2 | C7 | C8 | H3 | 61.5° | 60.1° |
| C7 | N2 | C2 | H5 | 30.6° | 35.1° |
| CBH | CBI | OBF | H24 | 119.9° | 120.0° |
| CBI | CBH | CBN | H28 | 120.2° | 119.9° |
| CBH | CBI | OBF | CBG | 58.5° | 61.2° |
| CBI | CBH | CBN | OBJ | 179.1° | 176.8° |
| CBI | CBH | CBN | CBM | 59.2° | 56.9° |
| CBH | CBI | CBL | H25 | 61.4° | 55.0° |
| CBH | CBI | CBL | H26 | 58.8° | 65.0° |
| CBI | CBH | OAO | H29 | 180.0° | 60.0° |
| CBI | CBH | CBN | H30 | 59.5° | 62.9° |
| OBF | CBI | CBH | CBN | 58.6° | 57.6° |
| CBI | OBF | CBG | CBM | 59.7° | 61.2° |
| CBI | OBF | CBG | O4 | 178.9° | 178.8° |
| CBI | OBF | CBG | H21 | 61.1° | 58.9° |
| OBF | CBI | CBL | H25 | 59.1° | 174.9° |
| OBF | CBI | CBL | H26 | 179.2° | 54.9° |
| OBF | CBI | CBH | H28 | 178.7° | 177.6° |
| CBH | CBN | OBJ | CBM | 118.2° | 119.6° |
| CBH | CBN | OBJ | H30 | 120.7° | 120.2° |
| CBH | CBN | CBM | H30 | 118.2° | 119.9° |
| CBH | CBN | CBM | CBG | 59.4° | 56.9° |
| CBH | CBN | OBJ | CBO | 67.5° | 150.0° |
| CBH | CBN | CBM | OBK | 172.6° | 176.9° |
| CBH | CBN | CBM | H22 | 65.0° | 63.0° |
| CBN | CBH | CBI | H24 | 62.2° | 62.4° |
| CBN | CBH | OAO | H29 | 61.6° | 179.7° |
| OBF | CBG | CBM | CBN | 60.4° | 57.6° |
| OBF | CBG | CBM | O4 | 119.3° | 120.0° |
| OBF | CBG | CBM | H21 | 121.4° | 120.0° |
| OBF | CBG | O4 | H21 | 119.9° | 120.0° |
| OBF | CBG | CBM | OBK | 173.0° | 177.5° |
| OBF | CBG | O4 | C4 | 66.2° | 69.0° |
| OBF | CBG | CBM | H22 | 64.1° | 62.4° |
| CBG | OBF | CBI | H24 | 61.5° | 58.8° |
| N2 | C2 | C3 | C1 | 118.9° | 119.9° |
| N2 | C2 | C3 | H5 | 120.7° | 120.2° |
| N2 | C2 | C3 | C4 | 179.9° | 176.9° |
| N2 | C2 | C1 | H5 | 120.6° | 120.2° |
| N2 | C2 | C1 | O1 | 51.8° | 62.5° |
| N2 | C2 | C1 | O5 | 180.0° | 177.5° |
| N2 | C2 | C3 | H6 | 51.9° | 57.0° |
| N2 | C2 | C1 | H8 | 64.6° | 57.5° |
| NBR | NBQ | CBP | CBO | 179.5° | 180.0° |
| NBR | NBQ | CBP | CAX | 0.2° | 0.2° |
| NBQ | NBR | N | CA | 179.5° | 180.0° |
| NBQ | NBR | N | CAX | 0.5° | 0.0° |
| CBP | NBQ | NBR | N | 0.4° | 0.1° |
| NBQ | CBP | CBO | CAX | 179.7° | 179.7° |
| NBQ | CBP | CBO | OBJ | 134.4° | 179.7° |
| NBQ | CBP | CAX | N | 0.1° | 0.3° |
| NBQ | CBP | CBO | H31 | 105.6° | 59.7° |
| NBQ | CBP | CBO | H32 | 14.4° | 60.3° |
| NBQ | CBP | CAX | H33 | 179.9° | 179.8° |
| NBR | N | CA | C | 90.0° | 55.0° |
| NBR | N | CAX | CBP | 0.3° | 0.2° |
| NBR | N | CA | CAX | 178.7° | 179.9° |
| NBR | N | CAX | H33 | 179.6° | 179.9° |
| NBR | N | CA | H34 | 150.3° | 65.0° |
| NBR | N | CA | H35 | 29.7° | 175.0° |
| OAP | CAE | CAD | CAC | 179.9° | 180.0° |
| OAP | CAE | CAD | CAF | 177.1° | 180.0° |
| OAP | CAE | CAC | CAA | 179.9° | 180.0° |
| OAP | CAE | CAD | H36 | 2.9° | 0.0° |
| OAP | CAE | CAC | H38 | 0.1° | 0.0° |
| CAE | CAD | CAF | H36 | 180.0° | 180.0° |
| CAE | CAD | CAF | C | 176.2° | 180.0° |
| CAE | CAD | CAF | CAH | 8.2° | 0.3° |
| CAD | CAE | CAC | CAA | 0.0° | 0.0° |
| CAD | CAE | OAP | H37 | 180.0° | 90.1° |
| CAD | CAE | CAC | H38 | 180.0° | 180.0° |
| CAD | CAF | C | CAH | 167.6° | 179.7° |
| CAD | CAF | C | CA | 153.7° | 179.7° |
| CAF | CAD | CAE | CAC | 3.0° | 0.0° |
| CAD | CAF | CAH | CAA | 10.5° | 0.6° |
| CAD | CAF | CAH | H40 | 169.5° | 179.7° |
| CAF | C | CA | N | 164.6° | 180.0° |
| C | CAF | CAH | CAA | 178.1° | 179.7° |
| CAF | C | CA | H34 | 44.9° | 60.0° |
| CAF | C | CA | H35 | 75.7° | 60.0° |
| C | CAF | CAD | H36 | 3.8° | 0.0° |
| C | CAF | CAH | H40 | 1.9° | 0.0° |
| CA | C | CAF | CAH | 13.8° | 0.0° |
| C | CA | N | H34 | 119.7° | 120.0° |
| C | CA | N | H35 | 119.7° | 120.0° |
| C | CA | N | CAX | 88.8° | 124.9° |
| C | CA | H34 | H35 | 120.9° | 120.0° |
| C2 | C3 | C4 | H6 | 128.1° | 119.9° |
| C3 | C2 | C1 | H5 | 121.1° | 119.9° |
| C2 | C3 | C4 | O4 | 179.5° | 176.9° |
| C2 | C3 | C4 | C5 | 60.4° | 57.0° |
| C3 | C2 | C1 | O1 | 170.0° | 177.6° |
| C3 | C2 | C1 | O5 | 61.7° | 57.6° |
| C3 | C2 | N2 | H4 | 28.5° | 24.7° |
| C2 | C3 | O3 | H7 | 180.0° | 60.0° |
| C3 | C2 | C1 | H8 | 53.7° | 62.4° |
| C2 | C3 | C4 | H20 | 59.3° | 62.9° |
| C4 | C3 | C2 | C1 | 61.0° | 57.0° |
| C3 | C4 | O4 | CBG | 138.7° | 140.8° |
| C3 | C4 | O4 | C5 | 117.8° | 119.7° |
| C3 | C4 | O4 | H20 | 121.0° | 120.2° |
| C3 | C4 | C5 | H20 | 120.5° | 119.9° |
| C3 | C4 | C5 | O5 | 62.2° | 57.6° |
| C3 | C4 | C5 | C6 | 176.4° | 177.6° |
| C4 | C3 | C2 | H5 | 59.4° | 62.9° |
| C4 | C3 | O3 | H7 | 67.1° | 179.6° |
| C3 | C4 | C5 | H16 | 57.4° | 62.4° |
| C2 | C1 | O1 | O5 | 125.6° | 120.0° |
| C2 | C1 | O1 | H8 | 115.6° | 120.0° |
| C2 | C1 | O5 | H8 | 115.0° | 120.0° |
| C2 | C1 | O1 | CBC | 163.1° | 175.0° |
| C2 | C1 | O5 | C5 | 60.5° | 61.2° |
| C1 | C2 | N2 | H4 | 90.4° | 95.0° |
| C1 | C2 | C3 | H6 | 67.0° | 62.9° |
| CAE | CAC | CAA | H38 | 180.0° | 180.0° |
| CAE | CAC | CAA | CAH | 2.4° | 0.3° |
| CAC | CAE | CAD | H36 | 177.1° | 180.0° |
| CAC | CAE | OAP | H37 | 0.1° | 89.9° |
| CAE | CAC | CAA | H39 | 177.6° | 180.0° |
| CAF | CAH | CAA | CAC | 7.7° | 0.6° |
| CAF | CAH | CAA | H40 | 180.0° | 179.7° |
| CAH | CAF | CAD | H36 | 171.8° | 179.7° |
| CAF | CAH | CAA | H39 | 172.2° | 179.7° |
| CBP | CBO | OBJ | CBN | 167.1° | 180.0° |
| CBP | CBO | OBJ | H31 | 120.0° | 120.0° |
| CBP | CBO | OBJ | H32 | 120.0° | 120.0° |
| CBO | CBP | CAX | N | 179.8° | 180.0° |
| CBP | CBO | H31 | H32 | 119.9° | 120.0° |
| CBO | CBP | CAX | H33 | 0.2° | 0.1° |
| CAX | CBP | CBO | OBJ | 45.2° | 0.0° |
| CBP | CAX | N | CA | 179.2° | 179.9° |
| CBP | CAX | N | H33 | 180.0° | 179.9° |
| CAX | CBP | CBO | H31 | 74.8° | 120.0° |
| CAX | CBP | CBO | H32 | 165.3° | 120.0° |
| OBJ | CBN | CBM | H30 | 121.4° | 120.2° |
| OBJ | CBN | CBM | CBG | 179.8° | 176.8° |
| OBJ | CBN | CBM | OBK | 67.0° | 63.2° |
| OBJ | CBN | CBM | H22 | 55.4° | 56.9° |
| OBJ | CBN | CBH | H28 | 60.7° | 63.2° |
| CBN | OBJ | CBO | H31 | 72.9° | 60.0° |
| CBN | OBJ | CBO | H32 | 47.1° | 60.0° |
| CBN | CBM | CBG | OBK | 112.6° | 119.9° |
| CBN | CBM | CBG | H22 | 124.5° | 120.0° |
| CBN | CBM | CBG | O4 | 179.7° | 177.6° |
| CBM | CBN | OBJ | CBO | 174.2° | 90.4° |
| CBN | CBM | OBK | H22 | 122.2° | 120.2° |
| CBN | CBM | CBG | H21 | 61.0° | 62.4° |
| CBN | CBM | OBK | H23 | 180.0° | 179.7° |
| CBM | CBN | CBH | H28 | 179.4° | 176.9° |
| CBM | CBG | O4 | H21 | 118.7° | 120.0° |
| CBG | CBM | OBK | H22 | 122.6° | 120.1° |
| CBM | CBG | O4 | C4 | 172.4° | 171.0° |
| CBG | CBM | OBK | H23 | 64.7° | 60.0° |
| CBG | CBM | CBN | H30 | 58.8° | 62.9° |
| O4 | CBG | CBM | OBK | 67.7° | 62.5° |
| CBG | O4 | C4 | C5 | 103.5° | 99.5° |
| CBG | O4 | C4 | H20 | 17.7° | 20.7° |
| O4 | CBG | CBM | H22 | 55.3° | 57.6° |
| CBO | OBJ | CBN | H30 | 53.1° | 29.8° |
| OBJ | CBO | H31 | H32 | 119.9° | 120.0° |
| CA | N | CAX | H33 | 0.8° | 0.1° |
| N | CA | H34 | H35 | 120.8° | 120.0° |
| CAX | N | CA | H34 | 30.9° | 115.1° |
| CAX | N | CA | H35 | 151.5° | 4.9° |
| OBK | CBM | CBG | H21 | 51.6° | 57.5° |
| OBK | CBM | CBN | H30 | 54.4° | 57.0° |
| O4 | C4 | C5 | H20 | 122.1° | 120.2° |
| O4 | C4 | C5 | O5 | 179.6° | 177.5° |
| O4 | C4 | C5 | C6 | 59.0° | 62.5° |
| O4 | C4 | C3 | H6 | 51.3° | 57.0° |
| O4 | C4 | C5 | H16 | 60.0° | 57.6° |
| C4 | O4 | CBG | H21 | 53.8° | 51.0° |
| C4 | C5 | O5 | C1 | 61.0° | 61.2° |
| C4 | C5 | O5 | C6 | 123.8° | 120.0° |
| C4 | C5 | O5 | H16 | 118.8° | 119.9° |
| C4 | C5 | C6 | H16 | 118.9° | 120.0° |
| C4 | C5 | C6 | O6 | 64.4° | 175.1° |
| C5 | C4 | C3 | H6 | 67.7° | 62.9° |
| C4 | C5 | C6 | H17 | 175.5° | 55.1° |
| C4 | C5 | C6 | H18 | 55.7° | 64.9° |
| CAC | CAA | CAH | H39 | 180.0° | 179.6° |
| CAC | CAA | CAH | H40 | 172.2° | 179.7° |
| CAH | CAA | CAC | H38 | 177.6° | 179.6° |
| O1 | C1 | O5 | H8 | 119.1° | 120.0° |
| O1 | C1 | O5 | C5 | 173.6° | 178.8° |
| C1 | O1 | CBC | CBD | 124.7° | 179.9° |
| O1 | C1 | C2 | H5 | 68.8° | 57.7° |
| C1 | O1 | CBC | H9 | 5.3° | 60.0° |
| C1 | O1 | CBC | H10 | 115.9° | 60.0° |
| O5 | C1 | O1 | CBC | 71.3° | 65.0° |
| C1 | O5 | C5 | C6 | 175.2° | 178.8° |
| O5 | C1 | C2 | H5 | 59.4° | 62.3° |
| C1 | O5 | C5 | H16 | 57.8° | 58.8° |
| O1 | CBC | CBD | CBE | 81.8° | 180.0° |
| O1 | CBC | CBD | H9 | 119.4° | 120.0° |
| O1 | CBC | CBD | H10 | 119.4° | 119.9° |
| CBC | O1 | C1 | H8 | 47.5° | 55.0° |
| O1 | CBC | H9 | H10 | 121.8° | 119.9° |
| O1 | CBC | CBD | H11 | 39.2° | 60.0° |
| O1 | CBC | CBD | H12 | 157.2° | 60.0° |
| O5 | C5 | C6 | H16 | 118.2° | 120.1° |
| O5 | C5 | C6 | O6 | 58.5° | 65.0° |
| C5 | O5 | C1 | H8 | 54.5° | 58.8° |
| O5 | C5 | C6 | H17 | 61.6° | 175.0° |
| O5 | C5 | C6 | H18 | 178.6° | 55.0° |
| O5 | C5 | C4 | H20 | 58.3° | 62.3° |
| C5 | C6 | O6 | H17 | 120.1° | 120.1° |
| C5 | C6 | O6 | H18 | 120.1° | 120.0° |
| C5 | C6 | H17 | H18 | 119.7° | 119.9° |
| C5 | C6 | O6 | H19 | 180.0° | 180.0° |
| C6 | C5 | C4 | H20 | 63.2° | 57.7° |
| CBE | CBD | CBC | H11 | 121.0° | 120.0° |
| CBE | CBD | CBC | H12 | 121.0° | 120.0° |
| CBE | CBD | CBC | H9 | 37.6° | 60.0° |
| CBE | CBD | CBC | H10 | 158.8° | 60.1° |
| CBE | CBD | H11 | H12 | 116.8° | 120.0° |
| CBD | CBE | H13 | H14 | 120.0° | 120.0° |
| CBD | CBE | H13 | H15 | 120.0° | 120.0° |
| CBD | CBE | H14 | H15 | 120.0° | 120.0° |
| O6 | C6 | C5 | H16 | 176.7° | 55.1° |
| O6 | C6 | H17 | H18 | 119.7° | 120.0° |
| CBD | CBC | H9 | H10 | 121.8° | 120.0° |
| CBC | CBD | H11 | H12 | 116.8° | 120.0° |
| CBC | CBD | CBE | H13 | 180.0° | 179.9° |
| CBC | CBD | CBE | H14 | 60.0° | 60.0° |
| CBC | CBD | CBE | H15 | 60.0° | 60.0° |
| H1 | C8 | H2 | H3 | 119.9° | 120.0° |
| H4 | N2 | C2 | H5 | 149.4° | 144.9° |
| H5 | C2 | C3 | H6 | 172.6° | 177.2° |
| H5 | C2 | C1 | H8 | 174.8° | 177.6° |
| H6 | C3 | O3 | H7 | 57.1° | 60.2° |
| H6 | C3 | C4 | H20 | 172.6° | 177.2° |
| H9 | CBC | CBD | H11 | 158.6° | 180.0° |
| H9 | CBC | CBD | H12 | 83.4° | 60.0° |
| H10 | CBC | CBD | H11 | 80.2° | 60.0° |
| H10 | CBC | CBD | H12 | 37.8° | 180.0° |
| H11 | CBD | CBE | H13 | 59.0° | 60.0° |
| H11 | CBD | CBE | H14 | 61.1° | 179.9° |
| H11 | CBD | CBE | H15 | 179.0° | 60.0° |
| H12 | CBD | CBE | H13 | 59.0° | 60.0° |
| H12 | CBD | CBE | H14 | 179.0° | 60.0° |
| H12 | CBD | CBE | H15 | 61.0° | 180.0° |
| H13 | CBE | H14 | H15 | 120.0° | 120.0° |
| H16 | C5 | C6 | H17 | 56.6° | 64.9° |
| H16 | C5 | C6 | H18 | 63.2° | 175.1° |
| H16 | C5 | C4 | H20 | 177.8° | 177.7° |
| H17 | C6 | O6 | H19 | 59.9° | 59.9° |
| H18 | C6 | O6 | H19 | 59.9° | 60.0° |
| H21 | CBG | CBM | H22 | 174.6° | 177.6° |
| H22 | CBM | OBK | H23 | 57.8° | 60.1° |
| H22 | CBM | CBN | H30 | 176.8° | 177.2° |
| H24 | CBI | CBL | H25 | 177.4° | 65.1° |
| H24 | CBI | CBL | H26 | 62.5° | 174.9° |
| H24 | CBI | CBH | H28 | 57.9° | 57.6° |
| H25 | CBL | OAJ | H27 | 60.0° | 60.0° |
| H26 | CBL | OAJ | H27 | 60.1° | 60.0° |
| H28 | CBH | OAO | H29 | 58.4° | 60.2° |
| H28 | CBH | CBN | H30 | 60.8° | 57.0° |
| H38 | CAC | CAA | H39 | 2.4° | 0.0° |
| H39 | CAA | CAH | H40 | 7.8° | 0.1° |
