8WH
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OBC | CBB | doub | 1.21Å | 1.23Å | |
| CBB | OAX | sing | 1.35Å | 1.24Å | |
| CBB | CBA | sing | 1.48Å | 1.39Å | |
| CBF | CBA | doub | 1.40Å | 1.40Å | Aromatic |
| CBF | CBE | sing | 1.38Å | 1.38Å | Aromatic |
| CBA | CAZ | sing | 1.40Å | 1.40Å | Aromatic |
| CBE | CBD | doub | 1.38Å | 1.39Å | Aromatic |
| CAZ | CAY | doub | 1.38Å | 1.40Å | Aromatic |
| CBD | CAY | sing | 1.38Å | 1.39Å | Aromatic |
| CAY | CAW | sing | 1.51Å | 1.42Å | |
| CAS | CAT | doub | 1.38Å | 1.39Å | Aromatic |
| CAS | CAN | sing | 1.38Å | 1.38Å | Aromatic |
| CAT | CAO | sing | 1.39Å | 1.39Å | Aromatic |
| CAU | NAV | sing | 1.35Å | 1.34Å | Aromatic |
| CAU | CAP | doub | 1.37Å | 1.30Å | Aromatic |
| CAW | NAV | sing | 1.46Å | 1.54Å | |
| CAN | CAL | doub | 1.39Å | 1.39Å | Aromatic |
| NAV | NAR | sing | 1.29Å | 1.26Å | Aromatic |
| CAO | CAP | sing | 1.48Å | 1.33Å | |
| CAO | CAM | doub | 1.40Å | 1.40Å | Aromatic |
| CAP | NAQ | sing | 1.35Å | 1.33Å | Aromatic |
| CAL | CAM | sing | 1.41Å | 1.40Å | Aromatic |
| CAL | CAJ | sing | 1.47Å | 1.39Å | |
| CAM | NAK | sing | 1.36Å | 1.39Å | |
| NAR | NAQ | doub | 1.29Å | 1.16Å | Aromatic |
| OAI | CAJ | doub | 1.21Å | 1.23Å | |
| CAJ | CAG | sing | 1.52Å | 1.37Å | |
| NAK | CAH | doub | 1.30Å | 1.40Å | |
| CAG | CAH | sing | 1.51Å | 1.39Å | |
| CAH | NAE | sing | 1.36Å | 1.33Å | |
| NAE | CAF | sing | 1.47Å | 1.47Å | |
| NAE | CAD | sing | 1.47Å | 1.46Å | |
| CAF | CAC | sing | 1.53Å | 1.47Å | |
| CAD | CAA | sing | 1.53Å | 1.47Å | |
| CAC | OAB | sing | 1.43Å | 1.45Å | |
| OAB | CAA | sing | 1.43Å | 1.42Å | |
| OAX | H1 | sing | 0.97Å | 0.95Å | |
| CAZ | H2 | sing | 1.08Å | 1.08Å | |
| CBF | H3 | sing | 1.08Å | 1.08Å | |
| CBE | H4 | sing | 1.08Å | 1.08Å | |
| CBD | H5 | sing | 1.08Å | 1.08Å | |
| CAW | H6 | sing | 1.09Å | 1.10Å | |
| CAW | H7 | sing | 1.09Å | 1.10Å | |
| CAU | H8 | sing | 1.08Å | 1.08Å | |
| CAT | H9 | sing | 1.08Å | 1.08Å | |
| CAS | H10 | sing | 1.08Å | 1.08Å | |
| CAN | H11 | sing | 1.08Å | 1.08Å | |
| CAG | H12 | sing | 1.09Å | 1.10Å | |
| CAG | H13 | sing | 1.09Å | 1.10Å | |
| CAF | H14 | sing | 1.09Å | 1.10Å | |
| CAF | H15 | sing | 1.09Å | 1.10Å | |
| CAC | H16 | sing | 1.09Å | 1.10Å | |
| CAC | H17 | sing | 1.09Å | 1.10Å | |
| CAA | H18 | sing | 1.09Å | 1.10Å | |
| CAA | H19 | sing | 1.09Å | 1.10Å | |
| CAD | H20 | sing | 1.09Å | 1.10Å | |
| CAD | H21 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OBC | CBB | OAX | 117.8° | 120.0° |
| OBC | CBB | CBA | 120.1° | 120.0° |
| OAX | CBB | CBA | 122.1° | 120.0° |
| CBB | OAX | H1 | 109.5° | 117.1° |
| CBB | CBA | CBF | 118.6° | 120.1° |
| CBB | CBA | CAZ | 121.4° | 120.2° |
| CBA | CBF | CBE | 119.8° | 119.9° |
| CBF | CBA | CAZ | 120.0° | 119.7° |
| CBA | CBF | H3 | 120.1° | 120.1° |
| CBF | CBE | CBD | 119.8° | 120.1° |
| CBE | CBF | H3 | 120.1° | 120.0° |
| CBF | CBE | H4 | 120.1° | 119.9° |
| CBA | CAZ | CAY | 120.2° | 119.9° |
| CBA | CAZ | H2 | 119.9° | 120.0° |
| CBE | CBD | CAY | 121.6° | 120.3° |
| CBD | CBE | H4 | 120.1° | 119.9° |
| CBE | CBD | H5 | 119.2° | 119.9° |
| CAZ | CAY | CBD | 118.6° | 120.1° |
| CAZ | CAY | CAW | 121.8° | 119.9° |
| CAY | CAZ | H2 | 119.9° | 120.1° |
| CBD | CAY | CAW | 119.5° | 119.9° |
| CAY | CBD | H5 | 119.2° | 119.8° |
| CAY | CAW | NAV | 117.9° | 109.5° |
| CAY | CAW | H6 | 107.3° | 109.5° |
| CAY | CAW | H7 | 107.3° | 109.5° |
| CAT | CAS | CAN | 120.5° | 120.5° |
| CAS | CAT | CAO | 121.1° | 120.8° |
| CAS | CAT | H9 | 119.4° | 119.7° |
| CAT | CAS | H10 | 119.8° | 119.7° |
| CAS | CAN | CAL | 119.5° | 119.8° |
| CAN | CAS | H10 | 119.7° | 119.8° |
| CAS | CAN | H11 | 120.2° | 120.1° |
| CAT | CAO | CAP | 120.2° | 120.2° |
| CAT | CAO | CAM | 118.1° | 119.6° |
| CAO | CAT | H9 | 119.5° | 119.6° |
| NAV | CAU | CAP | 103.7° | 106.0° |
| CAU | NAV | CAW | 128.3° | 125.8° |
| CAU | NAV | NAR | 108.6° | 108.5° |
| NAV | CAU | H8 | 128.1° | 127.0° |
| CAU | CAP | CAO | 128.4° | 126.9° |
| CAU | CAP | NAQ | 106.3° | 106.2° |
| CAP | CAU | H8 | 128.2° | 127.0° |
| CAW | NAV | NAR | 123.0° | 125.8° |
| NAV | CAW | H6 | 107.3° | 109.5° |
| NAV | CAW | H7 | 107.3° | 109.4° |
| CAN | CAL | CAM | 120.5° | 120.4° |
| CAN | CAL | CAJ | 120.1° | 121.8° |
| CAL | CAN | H11 | 120.3° | 120.1° |
| NAV | NAR | NAQ | 111.0° | 110.5° |
| CAP | CAO | CAM | 121.7° | 120.2° |
| CAO | CAP | NAQ | 125.3° | 126.9° |
| CAO | CAM | CAL | 120.4° | 118.9° |
| CAO | CAM | NAK | 121.0° | 121.2° |
| CAP | NAQ | NAR | 110.5° | 108.8° |
| CAM | CAL | CAJ | 119.4° | 117.8° |
| CAL | CAM | NAK | 118.6° | 119.8° |
| CAL | CAJ | OAI | 122.0° | 121.9° |
| CAL | CAJ | CAG | 121.0° | 116.2° |
| CAM | NAK | CAH | 122.3° | 123.7° |
| OAI | CAJ | CAG | 117.0° | 121.9° |
| CAJ | CAG | CAH | 121.2° | 108.5° |
| CAJ | CAG | H12 | 106.5° | 109.7° |
| CAJ | CAG | H13 | 106.5° | 109.6° |
| NAK | CAH | CAG | 117.4° | 122.6° |
| NAK | CAH | NAE | 119.8° | 118.7° |
| CAG | CAH | NAE | 122.7° | 118.7° |
| CAH | CAG | H12 | 106.4° | 109.5° |
| CAH | CAG | H13 | 106.5° | 109.7° |
| CAH | NAE | CAF | 119.1° | 121.0° |
| CAH | NAE | CAD | 121.3° | 121.0° |
| CAF | NAE | CAD | 119.5° | 118.0° |
| NAE | CAF | CAC | 108.9° | 108.3° |
| NAE | CAF | H14 | 109.6° | 109.7° |
| NAE | CAF | H15 | 109.6° | 109.7° |
| NAE | CAD | CAA | 118.6° | 108.6° |
| NAE | CAD | H20 | 107.2° | 109.7° |
| NAE | CAD | H21 | 107.2° | 109.7° |
| CAF | CAC | OAB | 105.4° | 109.2° |
| CAC | CAF | H14 | 109.6° | 109.7° |
| CAC | CAF | H15 | 109.6° | 109.7° |
| CAF | CAC | H16 | 110.5° | 109.5° |
| CAF | CAC | H17 | 110.5° | 109.5° |
| CAD | CAA | OAB | 108.5° | 109.3° |
| CAD | CAA | H18 | 109.7° | 109.6° |
| CAD | CAA | H19 | 109.7° | 109.5° |
| CAA | CAD | H20 | 107.1° | 109.6° |
| CAA | CAD | H21 | 107.1° | 109.6° |
| CAC | OAB | CAA | 112.4° | 114.2° |
| OAB | CAC | H16 | 110.5° | 109.6° |
| OAB | CAC | H17 | 110.5° | 109.5° |
| OAB | CAA | H18 | 109.7° | 109.4° |
| OAB | CAA | H19 | 109.7° | 109.5° |
| H6 | CAW | H7 | 109.5° | 109.5° |
| H12 | CAG | H13 | 109.5° | 109.8° |
| H14 | CAF | H15 | 109.5° | 109.7° |
| H16 | CAC | H17 | 109.5° | 109.5° |
| H18 | CAA | H19 | 109.5° | 109.5° |
| H20 | CAD | H21 | 109.5° | 109.7° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OBC | CBB | OAX | CBA | 179.6° | 179.9° |
| OBC | CBB | CBA | CBF | 0.1° | 179.7° |
| OBC | CBB | CBA | CAZ | 179.8° | 0.1° |
| OBC | CBB | OAX | H1 | 0.0° | 0.0° |
| OAX | CBB | CBA | CBF | 179.5° | 0.3° |
| OAX | CBB | CBA | CAZ | 0.2° | 180.0° |
| CBB | CBA | CBF | CAZ | 179.7° | 179.7° |
| CBB | CBA | CBF | CBE | 179.6° | 180.0° |
| CBB | CBA | CAZ | CAY | 179.2° | 180.0° |
| CBA | CBB | OAX | H1 | 179.6° | 179.9° |
| CBB | CBA | CAZ | H2 | 0.7° | 0.1° |
| CBB | CBA | CBF | H3 | 0.4° | 0.1° |
| CBA | CBF | CBE | H3 | 180.0° | 179.9° |
| CBA | CBF | CBE | CBD | 1.2° | 0.1° |
| CBF | CBA | CAZ | CAY | 1.0° | 0.3° |
| CBF | CBA | CAZ | H2 | 179.0° | 179.7° |
| CBA | CBF | CBE | H4 | 178.8° | 180.0° |
| CBE | CBF | CBA | CAZ | 0.7° | 0.3° |
| CBF | CBE | CBD | H4 | 180.0° | 179.9° |
| CBF | CBE | CBD | CAY | 2.1° | 0.2° |
| CBF | CBE | CBD | H5 | 177.9° | 179.9° |
| CBA | CAZ | CAY | H2 | 180.0° | 180.0° |
| CBA | CAZ | CAY | CBD | 1.9° | 0.0° |
| CBA | CAZ | CAY | CAW | 178.4° | 180.0° |
| CAZ | CBA | CBF | H3 | 179.3° | 179.7° |
| CBE | CBD | CAY | CAZ | 2.4° | 0.2° |
| CBE | CBD | CAY | H5 | 180.0° | 179.7° |
| CBE | CBD | CAY | CAW | 179.1° | 179.8° |
| CBD | CBE | CBF | H3 | 178.8° | 180.0° |
| CAZ | CAY | CBD | CAW | 176.7° | 180.0° |
| CAZ | CAY | CAW | NAV | 119.8° | 90.0° |
| CAZ | CAY | CBD | H5 | 177.6° | 180.0° |
| CAZ | CAY | CAW | H6 | 1.4° | 150.0° |
| CAZ | CAY | CAW | H7 | 118.9° | 30.0° |
| CBD | CAY | CAW | NAV | 63.6° | 90.0° |
| CBD | CAY | CAZ | H2 | 178.2° | 180.0° |
| CAY | CBD | CBE | H4 | 177.9° | 179.7° |
| CBD | CAY | CAW | H6 | 175.2° | 30.0° |
| CBD | CAY | CAW | H7 | 57.6° | 150.0° |
| CAY | CAW | NAV | CAU | 59.5° | 125.3° |
| CAY | CAW | NAV | H6 | 121.2° | 120.0° |
| CAY | CAW | NAV | H7 | 121.2° | 120.0° |
| CAY | CAW | NAV | NAR | 123.4° | 55.0° |
| CAW | CAY | CAZ | H2 | 1.6° | 0.0° |
| CAW | CAY | CBD | H5 | 0.9° | 0.0° |
| CAY | CAW | H6 | H7 | 116.2° | 120.0° |
| CAT | CAS | CAN | H10 | 180.0° | 179.9° |
| CAS | CAT | CAO | H9 | 180.0° | 180.0° |
| CAT | CAS | CAN | CAL | 0.2° | 0.1° |
| CAS | CAT | CAO | CAP | 178.7° | 179.7° |
| CAS | CAT | CAO | CAM | 0.4° | 0.0° |
| CAT | CAS | CAN | H11 | 179.8° | 179.8° |
| CAN | CAS | CAT | CAO | 0.4° | 0.2° |
| CAS | CAN | CAL | H11 | 180.0° | 179.7° |
| CAS | CAN | CAL | CAM | 0.0° | 0.6° |
| CAS | CAN | CAL | CAJ | 179.7° | 179.4° |
| CAN | CAS | CAT | H9 | 179.6° | 179.8° |
| CAT | CAO | CAP | CAU | 12.4° | 0.2° |
| CAT | CAO | CAP | CAM | 178.2° | 179.7° |
| CAT | CAO | CAP | NAQ | 164.0° | 179.8° |
| CAT | CAO | CAM | CAL | 0.3° | 0.5° |
| CAT | CAO | CAM | NAK | 179.9° | 179.6° |
| CAO | CAT | CAS | H10 | 179.6° | 179.8° |
| NAV | CAU | CAP | H8 | 180.0° | 180.0° |
| CAU | NAV | CAW | NAR | 177.2° | 179.7° |
| NAV | CAU | CAP | CAO | 178.8° | 180.0° |
| NAV | CAU | CAP | NAQ | 1.8° | 0.1° |
| CAU | NAV | NAR | NAQ | 1.2° | 0.3° |
| CAU | NAV | CAW | H6 | 61.7° | 5.2° |
| CAU | NAV | CAW | H7 | 179.3° | 114.7° |
| CAP | CAU | NAV | CAW | 179.4° | 180.0° |
| CAP | CAU | NAV | NAR | 1.9° | 0.2° |
| CAU | CAP | CAO | NAQ | 176.4° | 179.9° |
| CAU | CAP | CAO | CAM | 169.5° | 179.9° |
| CAU | CAP | NAQ | NAR | 1.2° | 0.1° |
| CAW | NAV | NAR | NAQ | 178.9° | 180.0° |
| NAV | CAW | H6 | H7 | 116.1° | 120.0° |
| CAW | NAV | CAU | H8 | 0.6° | 0.0° |
| CAN | CAL | CAM | CAO | 0.0° | 0.8° |
| CAN | CAL | CAM | CAJ | 179.7° | 179.9° |
| CAN | CAL | CAM | NAK | 179.7° | 179.9° |
| CAN | CAL | CAJ | OAI | 0.2° | 26.6° |
| CAN | CAL | CAJ | CAG | 179.8° | 153.5° |
| CAL | CAN | CAS | H10 | 179.8° | 179.9° |
| NAV | NAR | NAQ | CAP | 0.0° | 0.2° |
| NAR | NAV | CAW | H6 | 115.4° | 175.0° |
| NAR | NAV | CAW | H7 | 2.1° | 65.0° |
| NAR | NAV | CAU | H8 | 178.1° | 179.7° |
| CAP | CAO | CAM | CAL | 178.5° | 179.2° |
| CAP | CAO | CAM | NAK | 1.9° | 0.1° |
| CAO | CAP | NAQ | NAR | 178.3° | 179.9° |
| CAO | CAP | CAU | H8 | 1.2° | 0.1° |
| CAP | CAO | CAT | H9 | 1.3° | 0.3° |
| CAM | CAO | CAP | NAQ | 14.1° | 0.1° |
| CAO | CAM | CAL | NAK | 179.7° | 179.1° |
| CAO | CAM | CAL | CAJ | 179.7° | 179.2° |
| CAO | CAM | NAK | CAH | 179.6° | 168.3° |
| CAM | CAO | CAT | H9 | 179.6° | 180.0° |
| NAQ | CAP | CAU | H8 | 178.2° | 179.9° |
| CAM | CAL | CAJ | OAI | 179.9° | 153.5° |
| CAM | CAL | CAJ | CAG | 0.5° | 26.4° |
| CAL | CAM | NAK | CAH | 0.7° | 12.6° |
| CAM | CAL | CAN | H11 | 180.0° | 179.7° |
| CAJ | CAL | CAM | NAK | 0.6° | 0.1° |
| CAL | CAJ | OAI | CAG | 179.6° | 179.9° |
| CAL | CAJ | CAG | CAH | 0.6° | 37.9° |
| CAJ | CAL | CAN | H11 | 0.3° | 0.3° |
| CAL | CAJ | CAG | H12 | 121.0° | 157.5° |
| CAL | CAJ | CAG | H13 | 122.3° | 81.8° |
| CAM | NAK | CAH | CAG | 0.8° | 3.4° |
| CAM | NAK | CAH | NAE | 178.9° | 177.0° |
| OAI | CAJ | CAG | CAH | 179.8° | 142.0° |
| OAI | CAJ | CAG | H12 | 58.6° | 22.3° |
| OAI | CAJ | CAG | H13 | 58.2° | 98.3° |
| CAJ | CAG | CAH | NAK | 0.8° | 28.1° |
| CAJ | CAG | CAH | H12 | 121.7° | 119.7° |
| CAJ | CAG | CAH | H13 | 121.6° | 119.7° |
| CAJ | CAG | CAH | NAE | 179.0° | 152.2° |
| CAJ | CAG | H12 | H13 | 114.7° | 120.5° |
| NAK | CAH | CAG | NAE | 179.8° | 179.6° |
| NAK | CAH | NAE | CAF | 2.3° | 174.5° |
| NAK | CAH | NAE | CAD | 179.1° | 5.3° |
| NAK | CAH | CAG | H12 | 120.9° | 147.8° |
| NAK | CAH | CAG | H13 | 122.4° | 91.6° |
| CAG | CAH | NAE | CAF | 177.9° | 5.2° |
| CAG | CAH | NAE | CAD | 0.7° | 175.1° |
| CAH | CAG | H12 | H13 | 114.7° | 120.5° |
| CAH | NAE | CAF | CAD | 178.6° | 179.8° |
| CAH | NAE | CAF | CAC | 147.6° | 129.5° |
| CAH | NAE | CAD | CAA | 162.7° | 129.5° |
| NAE | CAH | CAG | H12 | 59.3° | 32.5° |
| NAE | CAH | CAG | H13 | 57.4° | 88.0° |
| CAH | NAE | CAF | H14 | 27.7° | 110.8° |
| CAH | NAE | CAF | H15 | 92.5° | 9.8° |
| CAH | NAE | CAD | H20 | 76.0° | 9.7° |
| CAH | NAE | CAD | H21 | 41.5° | 110.8° |
| NAE | CAF | CAC | H14 | 119.9° | 119.7° |
| NAE | CAF | CAC | H15 | 119.9° | 119.7° |
| CAF | NAE | CAD | CAA | 18.7° | 50.3° |
| NAE | CAF | CAC | OAB | 58.4° | 52.3° |
| NAE | CAF | H14 | H15 | 120.3° | 120.5° |
| NAE | CAF | CAC | H16 | 61.0° | 172.3° |
| NAE | CAF | CAC | H17 | 177.7° | 67.7° |
| CAF | NAE | CAD | H20 | 102.6° | 170.0° |
| CAF | NAE | CAD | H21 | 139.9° | 69.4° |
| CAD | NAE | CAF | CAC | 33.8° | 50.3° |
| NAE | CAD | CAA | H20 | 121.3° | 119.8° |
| NAE | CAD | CAA | H21 | 121.3° | 119.8° |
| NAE | CAD | CAA | OAB | 28.3° | 52.1° |
| CAD | NAE | CAF | H14 | 153.7° | 69.4° |
| CAD | NAE | CAF | H15 | 86.1° | 170.0° |
| NAE | CAD | CAA | H18 | 148.1° | 172.0° |
| NAE | CAD | CAA | H19 | 91.6° | 67.8° |
| NAE | CAD | H20 | H21 | 115.9° | 120.5° |
| CAF | CAC | OAB | H16 | 119.3° | 119.9° |
| CAF | CAC | OAB | H17 | 119.4° | 119.9° |
| CAF | CAC | OAB | CAA | 76.1° | 62.6° |
| CAC | CAF | H14 | H15 | 120.2° | 120.6° |
| CAF | CAC | H16 | H17 | 121.9° | 120.1° |
| CAD | CAA | OAB | CAC | 57.9° | 62.5° |
| CAD | CAA | OAB | H18 | 119.8° | 120.0° |
| CAD | CAA | OAB | H19 | 119.8° | 119.9° |
| CAD | CAA | H18 | H19 | 120.4° | 120.1° |
| CAA | CAD | H20 | H21 | 115.8° | 120.4° |
| OAB | CAC | CAF | H14 | 178.3° | 67.4° |
| OAB | CAC | CAF | H15 | 61.6° | 172.0° |
| OAB | CAC | H16 | H17 | 121.9° | 120.2° |
| CAC | OAB | CAA | H18 | 177.8° | 177.5° |
| CAC | OAB | CAA | H19 | 61.9° | 57.4° |
| CAA | OAB | CAC | H16 | 43.2° | 177.5° |
| CAA | OAB | CAC | H17 | 164.5° | 57.3° |
| OAB | CAA | H18 | H19 | 120.4° | 120.1° |
| OAB | CAA | CAD | H20 | 93.0° | 171.9° |
| OAB | CAA | CAD | H21 | 149.6° | 67.7° |
| H3 | CBF | CBE | H4 | 1.2° | 0.1° |
| H4 | CBE | CBD | H5 | 2.1° | 0.0° |
| H9 | CAT | CAS | H10 | 0.4° | 0.2° |
| H10 | CAS | CAN | H11 | 0.2° | 0.2° |
| H14 | CAF | CAC | H16 | 58.9° | 52.5° |
| H14 | CAF | CAC | H17 | 62.4° | 172.6° |
| H15 | CAF | CAC | H16 | 179.1° | 68.1° |
| H15 | CAF | CAC | H17 | 57.8° | 52.0° |
| H18 | CAA | CAD | H20 | 26.8° | 68.2° |
| H18 | CAA | CAD | H21 | 90.6° | 52.3° |
| H19 | CAA | CAD | H20 | 147.1° | 52.0° |
| H19 | CAA | CAD | H21 | 29.8° | 172.4° |
