AGW
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CBN | OAX | sing | 1.43Å | 1.42Å | |
| CBN | CBL | sing | 1.53Å | 1.53Å | |
| OAX | C8 | sing | 1.43Å | 1.41Å | |
| C8 | OAH | sing | 1.43Å | 1.37Å | |
| C8 | CBO | sing | 1.53Å | 1.52Å | |
| CBL | O10 | sing | 1.43Å | 1.47Å | |
| CBL | CBM | sing | 1.53Å | 1.43Å | |
| CBM | CBO | sing | 1.53Å | 1.44Å | |
| CBM | O14 | sing | 1.43Å | 1.50Å | |
| CBO | OBA | sing | 1.43Å | 1.44Å | |
| OBA | P1 | sing | 1.61Å | 1.60Å | |
| P1 | OAL | doub | 1.48Å | 1.52Å | |
| P1 | O15 | sing | 1.61Å | 1.51Å | |
| P1 | OAU | sing | 1.61Å | 1.56Å | |
| CAN | OAC | sing | 1.43Å | 1.42Å | |
| CAN | CBC | sing | 1.53Å | 1.49Å | |
| OAU | CBG | sing | 1.43Å | 1.41Å | |
| CBG | CBC | sing | 1.56Å | 1.49Å | |
| CBG | CBD | sing | 1.55Å | 1.40Å | |
| CBC | OAR | sing | 1.44Å | 1.40Å | |
| CBD | O12 | sing | 1.45Å | 1.42Å | |
| CBD | CBH | sing | 1.54Å | 1.48Å | |
| OAR | CBH | sing | 1.44Å | 1.40Å | |
| O12 | C | sing | 1.35Å | 1.49Å | |
| CBH | CAO | sing | 1.53Å | 1.52Å | |
| CBH | O1 | sing | 1.43Å | 1.43Å | |
| C16 | C15 | doub | 1.38Å | 1.40Å | Aromatic |
| C16 | C11 | sing | 1.40Å | 1.40Å | Aromatic |
| CAO | OAD | sing | 1.43Å | 1.41Å | |
| C15 | C14 | sing | 1.38Å | 1.40Å | Aromatic |
| C | C11 | sing | 1.48Å | 1.61Å | |
| C | O11 | doub | 1.21Å | 1.49Å | |
| C11 | C12 | doub | 1.40Å | 1.39Å | Aromatic |
| C14 | C13 | doub | 1.38Å | 1.40Å | Aromatic |
| O1 | C1 | sing | 1.43Å | 1.44Å | |
| C12 | C13 | sing | 1.38Å | 1.40Å | Aromatic |
| O5 | C1 | sing | 1.43Å | 1.42Å | |
| O5 | C5 | sing | 1.43Å | 1.50Å | |
| C1 | C2 | sing | 1.53Å | 1.52Å | |
| C5 | C6 | sing | 1.53Å | 1.51Å | |
| C5 | C4 | sing | 1.53Å | 1.51Å | |
| O6 | C6 | sing | 1.43Å | 1.41Å | |
| C4 | O4 | sing | 1.43Å | 1.46Å | |
| C4 | C3 | sing | 1.53Å | 1.44Å | |
| C2 | O2 | sing | 1.43Å | 1.43Å | |
| C2 | C3 | sing | 1.53Å | 1.48Å | |
| C3 | O3 | sing | 1.43Å | 1.45Å | |
| CAO | H1 | sing | 1.09Å | 1.10Å | |
| CAO | H2 | sing | 1.09Å | 1.10Å | |
| OAD | H3 | sing | 0.97Å | 0.95Å | |
| CBD | H4 | sing | 1.09Å | 1.10Å | |
| CBC | H5 | sing | 1.09Å | 1.10Å | |
| CAN | H6 | sing | 1.09Å | 1.10Å | |
| CAN | H7 | sing | 1.09Å | 1.10Å | |
| OAC | H8 | sing | 0.97Å | 0.95Å | |
| CBG | H9 | sing | 1.09Å | 1.10Å | |
| O15 | H10 | sing | 0.97Å | 0.95Å | |
| CBO | H11 | sing | 1.09Å | 1.10Å | |
| CBM | H12 | sing | 1.09Å | 1.10Å | |
| O14 | H13 | sing | 0.97Å | 0.95Å | |
| CBL | H14 | sing | 1.09Å | 1.10Å | |
| O10 | H15 | sing | 0.97Å | 0.95Å | |
| CBN | H16 | sing | 1.09Å | 1.10Å | |
| CBN | H17 | sing | 1.09Å | 1.10Å | |
| C8 | H18 | sing | 1.09Å | 1.10Å | |
| OAH | H19 | sing | 0.97Å | 0.95Å | |
| O2 | H20 | sing | 0.97Å | 0.95Å | |
| C2 | H21 | sing | 1.09Å | 1.10Å | |
| C3 | H22 | sing | 1.09Å | 1.10Å | |
| O3 | H23 | sing | 0.97Å | 0.95Å | |
| C4 | H24 | sing | 1.09Å | 1.10Å | |
| O4 | H25 | sing | 0.97Å | 0.95Å | |
| C5 | H26 | sing | 1.09Å | 1.10Å | |
| C6 | H27 | sing | 1.09Å | 1.10Å | |
| C6 | H28 | sing | 1.09Å | 1.10Å | |
| O6 | H29 | sing | 0.97Å | 0.95Å | |
| C1 | H30 | sing | 1.09Å | 1.10Å | |
| C12 | H31 | sing | 1.08Å | 1.08Å | |
| C13 | H32 | sing | 1.08Å | 1.08Å | |
| C14 | H33 | sing | 1.08Å | 1.08Å | |
| C15 | H34 | sing | 1.08Å | 1.08Å | |
| C16 | H35 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OAX | CBN | CBL | 112.6° | 109.4° |
| CBN | OAX | C8 | 112.8° | 114.2° |
| OAX | CBN | H16 | 108.7° | 109.5° |
| OAX | CBN | H17 | 108.7° | 109.5° |
| CBN | CBL | O10 | 106.1° | 109.5° |
| CBN | CBL | CBM | 111.8° | 109.1° |
| CBN | CBL | H14 | 109.1° | 109.6° |
| CBL | CBN | H16 | 108.7° | 109.5° |
| CBL | CBN | H17 | 108.7° | 109.5° |
| OAX | C8 | OAH | 110.2° | 109.5° |
| OAX | C8 | CBO | 112.7° | 109.4° |
| OAX | C8 | H18 | 107.1° | 109.5° |
| OAH | C8 | CBO | 112.8° | 109.6° |
| OAH | C8 | H18 | 107.7° | 109.5° |
| C8 | OAH | H19 | 109.5° | 114.0° |
| C8 | CBO | CBM | 110.8° | 109.2° |
| C8 | CBO | OBA | 106.3° | 109.5° |
| C8 | CBO | H11 | 109.4° | 109.5° |
| CBO | C8 | H18 | 105.9° | 109.4° |
| O10 | CBL | CBM | 109.3° | 109.5° |
| O10 | CBL | H14 | 109.9° | 109.5° |
| CBL | O10 | H15 | 109.5° | 114.0° |
| CBL | CBM | CBO | 116.5° | 109.0° |
| CBL | CBM | O14 | 110.1° | 109.5° |
| CBL | CBM | H12 | 106.4° | 109.6° |
| CBM | CBL | H14 | 110.5° | 109.5° |
| CBO | CBM | O14 | 111.2° | 109.5° |
| CBM | CBO | OBA | 109.4° | 109.5° |
| CBM | CBO | H11 | 110.4° | 109.5° |
| CBO | CBM | H12 | 106.2° | 109.6° |
| O14 | CBM | H12 | 105.6° | 109.6° |
| CBM | O14 | H13 | 109.5° | 114.0° |
| CBO | OBA | P1 | 124.4° | 123.0° |
| OBA | CBO | H11 | 110.5° | 109.5° |
| OBA | P1 | OAL | 112.0° | 109.5° |
| OBA | P1 | O15 | 107.0° | 109.5° |
| OBA | P1 | OAU | 107.8° | 109.5° |
| OAL | P1 | O15 | 113.1° | 109.4° |
| OAL | P1 | OAU | 105.7° | 109.5° |
| O15 | P1 | OAU | 111.1° | 109.5° |
| P1 | O15 | H10 | 109.5° | 114.0° |
| P1 | OAU | CBG | 121.7° | 123.0° |
| OAC | CAN | CBC | 120.5° | 109.4° |
| OAC | CAN | H6 | 106.6° | 109.5° |
| OAC | CAN | H7 | 106.7° | 109.5° |
| CAN | OAC | H8 | 109.5° | 114.0° |
| CAN | CBC | CBG | 113.3° | 110.8° |
| CAN | CBC | OAR | 112.9° | 110.6° |
| CAN | CBC | H5 | 107.5° | 110.5° |
| CBC | CAN | H6 | 106.6° | 109.5° |
| CBC | CAN | H7 | 106.7° | 109.5° |
| OAU | CBG | CBC | 111.6° | 110.9° |
| OAU | CBG | CBD | 106.6° | 111.0° |
| OAU | CBG | H9 | 111.8° | 110.8° |
| CBC | CBG | CBD | 104.0° | 102.0° |
| CBG | CBC | OAR | 106.7° | 103.5° |
| CBG | CBC | H5 | 107.6° | 110.6° |
| CBC | CBG | H9 | 110.6° | 110.9° |
| CBG | CBD | O12 | 104.8° | 110.5° |
| CBG | CBD | CBH | 107.2° | 104.2° |
| CBG | CBD | H4 | 112.9° | 110.6° |
| CBD | CBG | H9 | 112.0° | 110.8° |
| CBC | OAR | CBH | 109.8° | 107.0° |
| OAR | CBC | H5 | 108.8° | 110.6° |
| O12 | CBD | CBH | 107.4° | 110.5° |
| CBD | O12 | C | 121.6° | 117.0° |
| O12 | CBD | H4 | 112.5° | 110.4° |
| CBD | CBH | OAR | 101.9° | 107.4° |
| CBD | CBH | CAO | 109.8° | 109.9° |
| CBD | CBH | O1 | 109.3° | 109.9° |
| CBH | CBD | H4 | 111.5° | 110.5° |
| OAR | CBH | CAO | 113.6° | 109.8° |
| OAR | CBH | O1 | 113.2° | 109.9° |
| O12 | C | C11 | 114.3° | 120.0° |
| O12 | C | O11 | 114.1° | 120.0° |
| CAO | CBH | O1 | 108.8° | 109.9° |
| CBH | CAO | OAD | 116.8° | 109.5° |
| CBH | CAO | H1 | 107.6° | 109.5° |
| CBH | CAO | H2 | 107.6° | 109.6° |
| CBH | O1 | C1 | 123.1° | 114.0° |
| C15 | C16 | C11 | 119.5° | 119.9° |
| C16 | C15 | C14 | 119.2° | 120.1° |
| C16 | C15 | H34 | 120.4° | 119.9° |
| C15 | C16 | H35 | 120.3° | 120.1° |
| C16 | C11 | C | 118.4° | 120.1° |
| C16 | C11 | C12 | 121.3° | 119.7° |
| C11 | C16 | H35 | 120.2° | 120.0° |
| OAD | CAO | H1 | 107.6° | 109.4° |
| OAD | CAO | H2 | 107.6° | 109.5° |
| CAO | OAD | H3 | 109.5° | 114.0° |
| C15 | C14 | C13 | 120.8° | 120.3° |
| C15 | C14 | H33 | 119.6° | 119.8° |
| C14 | C15 | H34 | 120.4° | 120.0° |
| C11 | C | O11 | 119.2° | 120.0° |
| C | C11 | C12 | 120.3° | 120.2° |
| C11 | C12 | C13 | 119.0° | 119.8° |
| C11 | C12 | H31 | 120.5° | 120.1° |
| C14 | C13 | C12 | 120.1° | 120.2° |
| C14 | C13 | H32 | 120.0° | 119.9° |
| C13 | C14 | H33 | 119.6° | 119.9° |
| O1 | C1 | O5 | 108.9° | 109.4° |
| O1 | C1 | C2 | 107.9° | 109.5° |
| O1 | C1 | H30 | 109.1° | 109.5° |
| C13 | C12 | H31 | 120.5° | 120.1° |
| C12 | C13 | H32 | 119.9° | 119.9° |
| C1 | O5 | C5 | 118.4° | 114.2° |
| O5 | C1 | C2 | 113.4° | 109.4° |
| O5 | C1 | H30 | 109.4° | 109.5° |
| O5 | C5 | C6 | 108.4° | 109.5° |
| O5 | C5 | C4 | 112.7° | 109.4° |
| O5 | C5 | H26 | 107.2° | 109.5° |
| C1 | C2 | O2 | 111.5° | 109.6° |
| C1 | C2 | C3 | 114.8° | 109.2° |
| C1 | C2 | H21 | 105.4° | 109.6° |
| C2 | C1 | H30 | 108.0° | 109.5° |
| C6 | C5 | C4 | 114.1° | 109.5° |
| C5 | C6 | O6 | 117.7° | 109.4° |
| C6 | C5 | H26 | 107.0° | 109.5° |
| C5 | C6 | H27 | 107.4° | 109.4° |
| C5 | C6 | H28 | 107.4° | 109.5° |
| C5 | C4 | O4 | 115.8° | 109.5° |
| C5 | C4 | C3 | 114.3° | 109.2° |
| C5 | C4 | H24 | 103.4° | 109.6° |
| C4 | C5 | H26 | 107.1° | 109.4° |
| O6 | C6 | H27 | 107.3° | 109.5° |
| O6 | C6 | H28 | 107.4° | 109.5° |
| C6 | O6 | H29 | 109.5° | 113.9° |
| O4 | C4 | C3 | 113.3° | 109.5° |
| O4 | C4 | H24 | 104.0° | 109.5° |
| C4 | O4 | H25 | 109.5° | 114.0° |
| C4 | C3 | C2 | 116.1° | 109.1° |
| C4 | C3 | O3 | 112.3° | 109.5° |
| C4 | C3 | H22 | 104.5° | 109.6° |
| C3 | C4 | H24 | 104.1° | 109.5° |
| O2 | C2 | C3 | 112.1° | 109.5° |
| C2 | O2 | H20 | 109.5° | 114.0° |
| O2 | C2 | H21 | 106.3° | 109.5° |
| C2 | C3 | O3 | 113.9° | 109.5° |
| C3 | C2 | H21 | 105.9° | 109.5° |
| C2 | C3 | H22 | 104.1° | 109.6° |
| O3 | C3 | H22 | 104.3° | 109.5° |
| C3 | O3 | H23 | 109.5° | 114.0° |
| H1 | CAO | H2 | 109.5° | 109.4° |
| H6 | CAN | H7 | 109.5° | 109.5° |
| H16 | CBN | H17 | 109.5° | 109.5° |
| H27 | C6 | H28 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OAX | CBN | CBL | H16 | 120.5° | 119.9° |
| OAX | CBN | CBL | H17 | 120.5° | 120.0° |
| CBN | OAX | C8 | OAH | 177.4° | 178.9° |
| CBN | OAX | C8 | CBO | 55.5° | 61.0° |
| OAX | CBN | CBL | O10 | 70.9° | 62.3° |
| OAX | CBN | CBL | CBM | 48.2° | 57.6° |
| OAX | CBN | CBL | H14 | 170.7° | 177.5° |
| OAX | CBN | H16 | H17 | 118.5° | 120.0° |
| CBN | OAX | C8 | H18 | 60.5° | 58.9° |
| CBL | CBN | OAX | C8 | 53.9° | 61.1° |
| CBN | CBL | O10 | CBM | 120.7° | 119.7° |
| CBN | CBL | O10 | H14 | 117.9° | 120.2° |
| CBN | CBL | CBM | H14 | 121.8° | 119.9° |
| CBN | CBL | CBM | CBO | 46.3° | 57.0° |
| CBN | CBL | CBM | O14 | 174.2° | 176.8° |
| CBN | CBL | CBM | H12 | 71.8° | 62.9° |
| CBN | CBL | O10 | H15 | 180.0° | 60.3° |
| CBL | CBN | H16 | H17 | 118.6° | 120.1° |
| OAX | C8 | OAH | CBO | 126.9° | 120.0° |
| OAX | C8 | OAH | H18 | 116.6° | 120.0° |
| OAX | C8 | CBO | H18 | 116.8° | 119.9° |
| OAX | C8 | CBO | CBM | 50.7° | 57.5° |
| OAX | C8 | CBO | OBA | 169.5° | 177.4° |
| OAX | C8 | CBO | H11 | 71.2° | 62.4° |
| C8 | OAX | CBN | H16 | 174.4° | 58.8° |
| C8 | OAX | CBN | H17 | 66.5° | 178.9° |
| OAX | C8 | OAH | H19 | 180.0° | 60.0° |
| OAH | C8 | CBO | H18 | 117.5° | 120.0° |
| OAH | C8 | CBO | CBM | 176.3° | 177.6° |
| OAH | C8 | CBO | OBA | 64.9° | 62.5° |
| OAH | C8 | CBO | H11 | 54.4° | 57.6° |
| C8 | CBO | CBM | CBL | 47.3° | 57.0° |
| C8 | CBO | CBM | OBA | 116.9° | 119.9° |
| C8 | CBO | CBM | H11 | 121.3° | 119.9° |
| C8 | CBO | CBM | O14 | 174.7° | 176.8° |
| C8 | CBO | OBA | H11 | 118.6° | 120.1° |
| C8 | CBO | OBA | P1 | 123.3° | 120.1° |
| C8 | CBO | CBM | H12 | 70.9° | 63.0° |
| CBO | C8 | OAH | H19 | 53.1° | 180.0° |
| O10 | CBL | CBM | H14 | 121.0° | 120.2° |
| O10 | CBL | CBM | CBO | 70.9° | 62.9° |
| O10 | CBL | CBM | O14 | 57.0° | 56.9° |
| O10 | CBL | CBM | H12 | 170.9° | 177.1° |
| O10 | CBL | CBN | H16 | 49.5° | 177.8° |
| O10 | CBL | CBN | H17 | 168.6° | 57.7° |
| CBL | CBM | CBO | O14 | 127.3° | 119.8° |
| CBL | CBM | CBO | H12 | 118.3° | 119.9° |
| CBL | CBM | O14 | H12 | 114.5° | 120.2° |
| CBL | CBM | CBO | OBA | 164.2° | 176.9° |
| CBL | CBM | CBO | H11 | 74.0° | 63.0° |
| CBL | CBM | O14 | H13 | 180.0° | 60.5° |
| CBM | CBL | O10 | H15 | 59.3° | 179.9° |
| CBM | CBL | CBN | H16 | 168.6° | 62.3° |
| CBM | CBL | CBN | H17 | 72.3° | 177.6° |
| CBO | CBM | O14 | H12 | 114.8° | 120.3° |
| CBM | CBO | OBA | H11 | 121.7° | 120.2° |
| CBM | CBO | OBA | P1 | 116.9° | 120.1° |
| CBO | CBM | O14 | H13 | 49.2° | 180.0° |
| CBO | CBM | CBL | H14 | 168.0° | 176.9° |
| CBM | CBO | C8 | H18 | 66.1° | 62.4° |
| O14 | CBM | CBO | OBA | 68.4° | 63.3° |
| O14 | CBM | CBO | H11 | 53.4° | 56.9° |
| O14 | CBM | CBL | H14 | 64.1° | 63.2° |
| CBO | OBA | P1 | OAL | 34.1° | 55.0° |
| CBO | OBA | P1 | O15 | 158.7° | 65.0° |
| CBO | OBA | P1 | OAU | 81.7° | 175.0° |
| OBA | CBO | CBM | H12 | 46.0° | 56.9° |
| OBA | CBO | C8 | H18 | 52.7° | 57.5° |
| OBA | P1 | OAL | O15 | 121.1° | 120.0° |
| OBA | P1 | OAL | OAU | 117.1° | 120.0° |
| OBA | P1 | O15 | OAU | 117.5° | 120.0° |
| OBA | P1 | OAU | CBG | 77.9° | 175.0° |
| OBA | P1 | O15 | H10 | 123.8° | 60.0° |
| P1 | OBA | CBO | H11 | 4.8° | 0.0° |
| OAL | P1 | O15 | OAU | 118.6° | 119.9° |
| OAL | P1 | OAU | CBG | 162.2° | 55.0° |
| OAL | P1 | O15 | H10 | 0.0° | 180.0° |
| O15 | P1 | OAU | CBG | 39.1° | 65.0° |
| P1 | OAU | CBG | CBC | 136.3° | 121.5° |
| P1 | OAU | CBG | CBD | 110.8° | 125.8° |
| P1 | OAU | CBG | H9 | 11.9° | 2.2° |
| OAU | P1 | O15 | H10 | 118.7° | 60.1° |
| OAC | CAN | CBC | H6 | 121.5° | 120.0° |
| OAC | CAN | CBC | H7 | 121.6° | 120.1° |
| OAC | CAN | CBC | CBG | 36.7° | 179.4° |
| OAC | CAN | CBC | OAR | 84.6° | 66.4° |
| OAC | CAN | CBC | H5 | 155.4° | 56.4° |
| OAC | CAN | H6 | H7 | 115.0° | 120.1° |
| CAN | CBC | CBG | OAU | 129.5° | 86.2° |
| CAN | CBC | CBG | OAR | 124.8° | 118.6° |
| CAN | CBC | CBG | H5 | 118.6° | 122.9° |
| CAN | CBC | CBG | CBD | 116.0° | 155.5° |
| CAN | CBC | OAR | H5 | 119.2° | 122.8° |
| CAN | CBC | OAR | CBH | 137.5° | 158.7° |
| CBC | CAN | H6 | H7 | 115.0° | 120.0° |
| CBC | CAN | OAC | H8 | 180.0° | 180.0° |
| CAN | CBC | CBG | H9 | 4.4° | 37.4° |
| OAU | CBG | CBC | CBD | 114.5° | 118.3° |
| OAU | CBG | CBC | H9 | 125.1° | 123.6° |
| OAU | CBG | CBD | H9 | 122.5° | 123.6° |
| OAU | CBG | CBC | OAR | 105.7° | 155.2° |
| OAU | CBG | CBD | O12 | 153.6° | 102.3° |
| OAU | CBG | CBD | CBH | 92.4° | 139.0° |
| OAU | CBG | CBD | H4 | 30.8° | 20.3° |
| OAU | CBG | CBC | H5 | 10.9° | 36.7° |
| CBC | CBG | CBD | H9 | 119.5° | 118.1° |
| CBG | CBC | OAR | H5 | 115.8° | 118.5° |
| CBC | CBG | CBD | O12 | 88.4° | 139.4° |
| CBC | CBG | CBD | CBH | 25.6° | 20.8° |
| CBG | CBC | OAR | CBH | 12.4° | 40.0° |
| CBC | CBG | CBD | H4 | 148.8° | 98.0° |
| CBG | CBC | CAN | H6 | 84.8° | 59.4° |
| CBG | CBC | CAN | H7 | 158.3° | 60.5° |
| CBD | CBG | CBC | OAR | 8.8° | 36.9° |
| CBG | CBD | O12 | CBH | 113.8° | 114.8° |
| CBG | CBD | O12 | H4 | 123.0° | 122.7° |
| CBG | CBD | CBH | H4 | 124.0° | 118.8° |
| CBG | CBD | CBH | OAR | 33.0° | 2.1° |
| CBG | CBD | O12 | C | 139.1° | 95.3° |
| CBG | CBD | CBH | CAO | 87.8° | 117.4° |
| CBG | CBD | CBH | O1 | 152.9° | 121.6° |
| CBD | CBG | CBC | H5 | 125.4° | 81.6° |
| CBC | OAR | CBH | CBD | 27.2° | 26.6° |
| CBC | OAR | CBH | CAO | 90.8° | 92.9° |
| CBC | OAR | CBH | O1 | 144.4° | 146.1° |
| OAR | CBC | CAN | H6 | 153.8° | 173.6° |
| OAR | CBC | CAN | H7 | 37.0° | 53.6° |
| OAR | CBC | CBG | H9 | 129.2° | 81.2° |
| O12 | CBD | CBH | H4 | 123.7° | 122.5° |
| O12 | CBD | CBH | OAR | 79.3° | 116.6° |
| O12 | CBD | CBH | CAO | 160.0° | 124.0° |
| O12 | CBD | CBH | O1 | 40.7° | 2.9° |
| CBD | O12 | C | C11 | 176.0° | 180.0° |
| CBD | O12 | C | O11 | 34.0° | 0.0° |
| O12 | CBD | CBG | H9 | 31.1° | 21.3° |
| CBD | CBH | OAR | CAO | 118.0° | 119.5° |
| CBD | CBH | OAR | O1 | 117.2° | 119.5° |
| CBH | CBD | O12 | C | 107.0° | 150.0° |
| CBD | CBH | CAO | O1 | 119.6° | 121.0° |
| CBD | CBH | CAO | OAD | 68.9° | 171.7° |
| CBD | CBH | O1 | C1 | 171.9° | 172.2° |
| CBD | CBH | CAO | H1 | 52.2° | 68.4° |
| CBD | CBH | CAO | H2 | 170.1° | 51.6° |
| CBH | CBD | CBG | H9 | 145.1° | 97.4° |
| OAR | CBH | CAO | O1 | 127.1° | 121.0° |
| OAR | CBH | CAO | OAD | 177.7° | 53.7° |
| OAR | CBH | O1 | C1 | 59.1° | 54.2° |
| OAR | CBH | CAO | H1 | 61.2° | 173.6° |
| OAR | CBH | CAO | H2 | 56.7° | 66.4° |
| OAR | CBH | CBD | H4 | 157.0° | 120.9° |
| CBH | OAR | CBC | H5 | 103.3° | 78.5° |
| O12 | C | C11 | C16 | 8.8° | 0.3° |
| O12 | C | C11 | O11 | 140.0° | 179.9° |
| O12 | C | C11 | C12 | 173.3° | 180.0° |
| C | O12 | CBD | H4 | 16.1° | 27.4° |
| CBH | CAO | OAD | H1 | 121.1° | 120.0° |
| CBH | CAO | OAD | H2 | 121.0° | 120.1° |
| CAO | CBH | O1 | C1 | 68.2° | 66.8° |
| CBH | CAO | H1 | H2 | 116.6° | 120.1° |
| CBH | CAO | OAD | H3 | 180.0° | 180.0° |
| CAO | CBH | CBD | H4 | 36.2° | 1.4° |
| O1 | CBH | CAO | OAD | 50.7° | 67.3° |
| CBH | O1 | C1 | O5 | 82.6° | 73.7° |
| CBH | O1 | C1 | C2 | 154.0° | 166.5° |
| O1 | CBH | CAO | H1 | 171.8° | 52.7° |
| O1 | CBH | CAO | H2 | 70.3° | 172.7° |
| O1 | CBH | CBD | H4 | 83.1° | 119.6° |
| CBH | O1 | C1 | H30 | 36.8° | 46.4° |
| C15 | C16 | C11 | H35 | 180.0° | 179.4° |
| C16 | C15 | C14 | H34 | 180.0° | 179.7° |
| C15 | C16 | C11 | C | 179.9° | 179.7° |
| C15 | C16 | C11 | C12 | 2.2° | 0.6° |
| C16 | C15 | C14 | C13 | 0.8° | 0.3° |
| C16 | C15 | C14 | H33 | 179.2° | 179.7° |
| C11 | C16 | C15 | C14 | 0.9° | 0.6° |
| C16 | C11 | C | C12 | 177.9° | 179.7° |
| C16 | C11 | C | O11 | 148.8° | 179.8° |
| C16 | C11 | C12 | C13 | 1.9° | 0.2° |
| C16 | C11 | C12 | H31 | 178.2° | 179.8° |
| C11 | C16 | C15 | H34 | 179.1° | 179.7° |
| OAD | CAO | H1 | H2 | 116.7° | 119.9° |
| C15 | C14 | C13 | H33 | 180.0° | 180.0° |
| C15 | C14 | C13 | C12 | 1.1° | 0.0° |
| C15 | C14 | C13 | H32 | 178.9° | 180.0° |
| C14 | C15 | C16 | H35 | 179.1° | 180.0° |
| C | C11 | C12 | C13 | 179.7° | 180.0° |
| C | C11 | C12 | H31 | 0.3° | 0.0° |
| C | C11 | C16 | H35 | 0.2° | 0.3° |
| O11 | C | C11 | C12 | 33.3° | 0.0° |
| C11 | C12 | C13 | C14 | 0.2° | 0.0° |
| C11 | C12 | C13 | H31 | 180.0° | 180.0° |
| C11 | C12 | C13 | H32 | 179.8° | 180.0° |
| C12 | C11 | C16 | H35 | 177.7° | 180.0° |
| C14 | C13 | C12 | H32 | 180.0° | 180.0° |
| C14 | C13 | C12 | H31 | 179.9° | 179.9° |
| C13 | C14 | C15 | H34 | 179.2° | 180.0° |
| O1 | C1 | O5 | C2 | 120.1° | 119.9° |
| O1 | C1 | O5 | H30 | 119.2° | 120.0° |
| O1 | C1 | O5 | C5 | 72.9° | 58.8° |
| O1 | C1 | C2 | H30 | 117.8° | 120.0° |
| O1 | C1 | C2 | O2 | 40.8° | 57.5° |
| O1 | C1 | C2 | C3 | 88.1° | 62.4° |
| O1 | C1 | C2 | H21 | 155.8° | 177.7° |
| C12 | C13 | C14 | H33 | 178.8° | 180.0° |
| O5 | C1 | C2 | H30 | 121.4° | 120.0° |
| C1 | O5 | C5 | C6 | 140.5° | 178.9° |
| C1 | O5 | C5 | C4 | 13.3° | 61.1° |
| O5 | C1 | C2 | O2 | 161.6° | 177.5° |
| O5 | C1 | C2 | C3 | 32.7° | 57.6° |
| O5 | C1 | C2 | H21 | 83.5° | 62.4° |
| C1 | O5 | C5 | H26 | 104.3° | 58.8° |
| C5 | O5 | C1 | C2 | 47.3° | 61.1° |
| O5 | C5 | C6 | C4 | 126.5° | 119.9° |
| O5 | C5 | C6 | H26 | 115.3° | 120.1° |
| O5 | C5 | C4 | H26 | 117.6° | 120.0° |
| O5 | C5 | C6 | O6 | 152.0° | 65.1° |
| O5 | C5 | C4 | O4 | 170.0° | 62.3° |
| O5 | C5 | C4 | C3 | 35.5° | 57.6° |
| O5 | C5 | C4 | H24 | 77.0° | 177.6° |
| O5 | C5 | C6 | H27 | 86.8° | 174.9° |
| O5 | C5 | C6 | H28 | 30.9° | 54.9° |
| C5 | O5 | C1 | H30 | 167.9° | 178.8° |
| C1 | C2 | C3 | C4 | 15.1° | 56.9° |
| C1 | C2 | O2 | C3 | 130.3° | 119.7° |
| C1 | C2 | O2 | H21 | 114.4° | 120.2° |
| C1 | C2 | C3 | H21 | 115.9° | 120.0° |
| C1 | C2 | C3 | O3 | 148.0° | 62.9° |
| C1 | C2 | O2 | H20 | 180.0° | 60.2° |
| C1 | C2 | C3 | H22 | 99.1° | 176.9° |
| C6 | C5 | C4 | H26 | 118.2° | 120.0° |
| C5 | C6 | O6 | H27 | 121.2° | 119.9° |
| C5 | C6 | O6 | H28 | 121.2° | 120.0° |
| C6 | C5 | C4 | O4 | 45.9° | 57.7° |
| C6 | C5 | C4 | C3 | 88.6° | 177.6° |
| C6 | C5 | C4 | H24 | 158.9° | 62.4° |
| C5 | C6 | H27 | H28 | 116.3° | 120.0° |
| C5 | C6 | O6 | H29 | 180.0° | 180.0° |
| C4 | C5 | C6 | O6 | 81.5° | 175.0° |
| C5 | C4 | O4 | C3 | 134.9° | 119.7° |
| C5 | C4 | O4 | H24 | 112.7° | 120.2° |
| C5 | C4 | C3 | H24 | 112.1° | 120.0° |
| C5 | C4 | C3 | C2 | 49.9° | 56.9° |
| C5 | C4 | C3 | O3 | 176.6° | 62.9° |
| C5 | C4 | C3 | H22 | 64.1° | 176.9° |
| C5 | C4 | O4 | H25 | 180.0° | 179.7° |
| C4 | C5 | C6 | H27 | 39.7° | 55.0° |
| C4 | C5 | C6 | H28 | 157.3° | 65.0° |
| O6 | C6 | C5 | H26 | 36.7° | 55.0° |
| O6 | C6 | H27 | H28 | 116.2° | 120.1° |
| O4 | C4 | C3 | H24 | 112.3° | 120.1° |
| O4 | C4 | C3 | C2 | 174.6° | 62.9° |
| O4 | C4 | C3 | O3 | 41.0° | 177.2° |
| O4 | C4 | C3 | H22 | 71.5° | 57.0° |
| O4 | C4 | C5 | H26 | 72.3° | 177.7° |
| C4 | C3 | C2 | O2 | 113.5° | 176.9° |
| C4 | C3 | C2 | O3 | 132.9° | 119.9° |
| C4 | C3 | C2 | H22 | 114.2° | 119.9° |
| C4 | C3 | O3 | H22 | 112.6° | 120.2° |
| C4 | C3 | C2 | H21 | 131.0° | 63.0° |
| C4 | C3 | O3 | H23 | 180.0° | 179.6° |
| C3 | C4 | O4 | H25 | 45.1° | 60.0° |
| C3 | C4 | C5 | H26 | 153.2° | 62.4° |
| O2 | C2 | C3 | H21 | 115.5° | 120.1° |
| O2 | C2 | C3 | O3 | 19.4° | 57.0° |
| O2 | C2 | C3 | H22 | 132.3° | 63.2° |
| O2 | C2 | C1 | H30 | 77.0° | 62.5° |
| C2 | C3 | O3 | H22 | 112.8° | 120.2° |
| C3 | C2 | O2 | H20 | 49.7° | 180.0° |
| C2 | C3 | O3 | H23 | 45.4° | 60.0° |
| C2 | C3 | C4 | H24 | 62.3° | 177.0° |
| C3 | C2 | C1 | H30 | 154.1° | 177.6° |
| O3 | C3 | C2 | H21 | 96.2° | 177.1° |
| O3 | C3 | C4 | H24 | 71.3° | 57.1° |
| H1 | CAO | OAD | H3 | 59.0° | 60.0° |
| H2 | CAO | OAD | H3 | 58.9° | 59.9° |
| H4 | CBD | CBG | H9 | 91.7° | 143.9° |
| H5 | CBC | CAN | H6 | 33.9° | 63.5° |
| H5 | CBC | CAN | H7 | 83.0° | 176.5° |
| H5 | CBC | CBG | H9 | 114.2° | 160.3° |
| H6 | CAN | OAC | H8 | 58.5° | 60.0° |
| H7 | CAN | OAC | H8 | 58.4° | 60.0° |
| H11 | CBO | CBM | H12 | 167.7° | 177.1° |
| H11 | CBO | C8 | H18 | 172.0° | 177.6° |
| H12 | CBM | O14 | H13 | 65.5° | 59.8° |
| H12 | CBM | CBL | H14 | 49.9° | 57.0° |
| H14 | CBL | O10 | H15 | 62.1° | 59.9° |
| H14 | CBL | CBN | H16 | 68.8° | 57.6° |
| H14 | CBL | CBN | H17 | 50.3° | 62.5° |
| H18 | C8 | OAH | H19 | 63.4° | 60.0° |
| H20 | O2 | C2 | H21 | 65.6° | 60.0° |
| H21 | C2 | C3 | H22 | 16.8° | 56.9° |
| H21 | C2 | C1 | H30 | 38.0° | 57.7° |
| H22 | C3 | O3 | H23 | 67.4° | 60.2° |
| H22 | C3 | C4 | H24 | 176.2° | 63.1° |
| H24 | C4 | O4 | H25 | 67.3° | 60.1° |
| H24 | C4 | C5 | H26 | 40.6° | 57.6° |
| H26 | C5 | C6 | H27 | 157.9° | 65.0° |
| H26 | C5 | C6 | H28 | 84.5° | 175.0° |
| H27 | C6 | O6 | H29 | 58.8° | 60.1° |
| H28 | C6 | O6 | H29 | 58.8° | 60.0° |
| H31 | C12 | C13 | H32 | 0.2° | 0.0° |
| H32 | C13 | C14 | H33 | 1.2° | 0.0° |
| H33 | C14 | C15 | H34 | 0.8° | 0.0° |
| H34 | C15 | C16 | H35 | 0.9° | 0.3° |
