8Q6
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OAE | CAS | doub | 1.21Å | 1.24Å | |
| CAS | CAD | sing | 1.51Å | 1.54Å | |
| CAS | CAW | sing | 1.47Å | 1.41Å | |
| CAH | CAW | doub | 1.40Å | 1.40Å | Aromatic |
| CAH | CAI | sing | 1.38Å | 1.39Å | Aromatic |
| CAW | CAM | sing | 1.40Å | 1.40Å | Aromatic |
| CAI | CBA | doub | 1.39Å | 1.39Å | Aromatic |
| CAM | CAZ | doub | 1.38Å | 1.40Å | Aromatic |
| CBA | CAZ | sing | 1.40Å | 1.39Å | Aromatic |
| CBA | OAR | sing | 1.36Å | 1.37Å | |
| CAZ | NAO | sing | 1.40Å | 1.36Å | |
| CAN | OAR | sing | 1.43Å | 1.43Å | |
| CAN | CAA | sing | 1.53Å | 1.53Å | |
| NAO | CAV | sing | 1.40Å | 1.36Å | |
| OAG | CAU | doub | 1.21Å | 1.23Å | |
| CAK | CAV | doub | 1.39Å | 1.40Å | Aromatic |
| CAK | CAY | sing | 1.40Å | 1.40Å | Aromatic |
| CAV | CAJ | sing | 1.39Å | 1.40Å | Aromatic |
| CAU | CAY | sing | 1.48Å | 1.40Å | |
| CAU | OAQ | sing | 1.35Å | 1.35Å | |
| CAY | CAL | doub | 1.39Å | 1.40Å | Aromatic |
| CAJ | CAX | doub | 1.40Å | 1.40Å | Aromatic |
| CAC | OAQ | sing | 1.45Å | 1.44Å | |
| CAL | CAX | sing | 1.39Å | 1.40Å | Aromatic |
| CAX | CAT | sing | 1.48Å | 1.41Å | |
| CAT | OAF | doub | 1.22Å | 1.23Å | |
| CAT | OAP | sing | 1.35Å | 1.36Å | |
| OAP | CAB | sing | 1.45Å | 1.44Å | |
| CAA | H1 | sing | 1.09Å | 1.10Å | |
| CAA | H2 | sing | 1.09Å | 1.10Å | |
| CAA | H3 | sing | 1.09Å | 1.10Å | |
| CAB | H4 | sing | 1.09Å | 1.10Å | |
| CAB | H5 | sing | 1.09Å | 1.10Å | |
| CAB | H6 | sing | 1.09Å | 1.10Å | |
| CAC | H7 | sing | 1.09Å | 1.10Å | |
| CAC | H8 | sing | 1.09Å | 1.10Å | |
| CAC | H9 | sing | 1.09Å | 1.10Å | |
| CAD | H10 | sing | 1.09Å | 1.10Å | |
| CAD | H11 | sing | 1.09Å | 1.10Å | |
| CAD | H12 | sing | 1.09Å | 1.10Å | |
| CAH | H13 | sing | 1.08Å | 1.08Å | |
| CAI | H14 | sing | 1.08Å | 1.08Å | |
| CAJ | H15 | sing | 1.08Å | 1.08Å | |
| CAK | H16 | sing | 1.08Å | 1.08Å | |
| CAL | H17 | sing | 1.08Å | 1.08Å | |
| CAM | H18 | sing | 1.08Å | 1.08Å | |
| CAN | H19 | sing | 1.09Å | 1.10Å | |
| CAN | H20 | sing | 1.09Å | 1.10Å | |
| NAO | H21 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OAE | CAS | CAD | 120.7° | 120.0° |
| OAE | CAS | CAW | 121.5° | 120.0° |
| CAD | CAS | CAW | 117.8° | 120.0° |
| CAS | CAD | H10 | 109.5° | 109.5° |
| CAS | CAD | H11 | 109.4° | 109.5° |
| CAS | CAD | H12 | 109.5° | 109.4° |
| CAS | CAW | CAH | 120.6° | 120.1° |
| CAS | CAW | CAM | 120.9° | 120.1° |
| CAW | CAH | CAI | 119.8° | 120.0° |
| CAH | CAW | CAM | 118.6° | 119.8° |
| CAW | CAH | H13 | 120.1° | 120.0° |
| CAH | CAI | CBA | 120.6° | 120.2° |
| CAI | CAH | H13 | 120.1° | 120.0° |
| CAH | CAI | H14 | 119.7° | 119.9° |
| CAW | CAM | CAZ | 121.9° | 119.8° |
| CAW | CAM | H18 | 119.1° | 120.1° |
| CAI | CBA | CAZ | 120.7° | 120.2° |
| CAI | CBA | OAR | 122.7° | 119.9° |
| CBA | CAI | H14 | 119.7° | 119.9° |
| CAM | CAZ | CBA | 118.5° | 120.0° |
| CAM | CAZ | NAO | 122.4° | 120.0° |
| CAZ | CAM | H18 | 119.1° | 120.1° |
| CAZ | CBA | OAR | 116.6° | 119.9° |
| CBA | CAZ | NAO | 119.0° | 120.0° |
| CBA | OAR | CAN | 113.7° | 117.1° |
| CAZ | NAO | CAV | 123.8° | 120.0° |
| CAZ | NAO | H21 | 118.1° | 120.0° |
| OAR | CAN | CAA | 108.0° | 109.5° |
| OAR | CAN | H19 | 109.8° | 109.4° |
| OAR | CAN | H20 | 109.8° | 109.4° |
| CAN | CAA | H1 | 109.5° | 109.5° |
| CAN | CAA | H2 | 109.5° | 109.5° |
| CAN | CAA | H3 | 109.5° | 109.5° |
| CAA | CAN | H19 | 109.8° | 109.5° |
| CAA | CAN | H20 | 109.8° | 109.5° |
| NAO | CAV | CAK | 124.1° | 119.9° |
| NAO | CAV | CAJ | 117.8° | 119.9° |
| CAV | NAO | H21 | 118.1° | 120.0° |
| OAG | CAU | CAY | 122.3° | 120.0° |
| OAG | CAU | OAQ | 122.8° | 120.0° |
| CAV | CAK | CAY | 120.7° | 120.1° |
| CAK | CAV | CAJ | 118.1° | 120.1° |
| CAV | CAK | H16 | 119.7° | 120.0° |
| CAK | CAY | CAU | 120.0° | 120.1° |
| CAK | CAY | CAL | 120.2° | 119.9° |
| CAY | CAK | H16 | 119.6° | 119.9° |
| CAV | CAJ | CAX | 122.1° | 120.1° |
| CAV | CAJ | H15 | 118.9° | 120.0° |
| CAY | CAU | OAQ | 114.9° | 120.0° |
| CAU | CAY | CAL | 119.8° | 120.1° |
| CAU | OAQ | CAC | 110.4° | 117.0° |
| CAY | CAL | CAX | 119.9° | 119.9° |
| CAY | CAL | H17 | 120.1° | 120.0° |
| CAJ | CAX | CAL | 118.9° | 119.9° |
| CAJ | CAX | CAT | 120.3° | 120.1° |
| CAX | CAJ | H15 | 118.9° | 119.9° |
| OAQ | CAC | H7 | 109.5° | 109.4° |
| OAQ | CAC | H8 | 109.5° | 109.5° |
| OAQ | CAC | H9 | 109.5° | 109.5° |
| CAL | CAX | CAT | 120.8° | 120.0° |
| CAX | CAL | H17 | 120.0° | 120.1° |
| CAX | CAT | OAF | 121.6° | 120.0° |
| CAX | CAT | OAP | 114.9° | 120.0° |
| OAF | CAT | OAP | 123.4° | 120.0° |
| CAT | OAP | CAB | 113.1° | 117.0° |
| OAP | CAB | H4 | 109.5° | 109.5° |
| OAP | CAB | H5 | 109.5° | 109.5° |
| OAP | CAB | H6 | 109.5° | 109.5° |
| H1 | CAA | H2 | 109.5° | 109.5° |
| H1 | CAA | H3 | 109.5° | 109.5° |
| H2 | CAA | H3 | 109.5° | 109.4° |
| H4 | CAB | H5 | 109.5° | 109.4° |
| H4 | CAB | H6 | 109.5° | 109.5° |
| H5 | CAB | H6 | 109.5° | 109.4° |
| H7 | CAC | H8 | 109.5° | 109.5° |
| H7 | CAC | H9 | 109.4° | 109.5° |
| H8 | CAC | H9 | 109.5° | 109.5° |
| H10 | CAD | H11 | 109.5° | 109.4° |
| H10 | CAD | H12 | 109.5° | 109.5° |
| H11 | CAD | H12 | 109.4° | 109.5° |
| H19 | CAN | H20 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OAE | CAS | CAD | CAW | 179.8° | 180.0° |
| OAE | CAS | CAW | CAH | 6.0° | 180.0° |
| OAE | CAS | CAW | CAM | 174.1° | 0.1° |
| OAE | CAS | CAD | H10 | 0.0° | 120.0° |
| OAE | CAS | CAD | H11 | 120.0° | 0.0° |
| OAE | CAS | CAD | H12 | 120.0° | 120.0° |
| CAD | CAS | CAW | CAH | 173.8° | 0.0° |
| CAD | CAS | CAW | CAM | 6.1° | 180.0° |
| CAS | CAD | H10 | H11 | 120.0° | 120.0° |
| CAS | CAD | H10 | H12 | 120.0° | 120.0° |
| CAS | CAD | H11 | H12 | 120.0° | 120.0° |
| CAS | CAW | CAH | CAM | 179.9° | 179.9° |
| CAS | CAW | CAH | CAI | 179.7° | 179.9° |
| CAS | CAW | CAM | CAZ | 179.0° | 180.0° |
| CAW | CAS | CAD | H10 | 179.8° | 60.0° |
| CAW | CAS | CAD | H11 | 59.8° | 179.9° |
| CAW | CAS | CAD | H12 | 60.1° | 60.0° |
| CAS | CAW | CAH | H13 | 0.2° | 0.3° |
| CAS | CAW | CAM | H18 | 0.9° | 0.1° |
| CAW | CAH | CAI | H13 | 180.0° | 179.7° |
| CAW | CAH | CAI | CBA | 0.1° | 0.1° |
| CAH | CAW | CAM | CAZ | 0.9° | 0.1° |
| CAW | CAH | CAI | H14 | 179.9° | 179.9° |
| CAH | CAW | CAM | H18 | 179.1° | 179.9° |
| CAI | CAH | CAW | CAM | 0.2° | 0.0° |
| CAH | CAI | CBA | H14 | 180.0° | 179.9° |
| CAH | CAI | CBA | CAZ | 0.6° | 0.0° |
| CAH | CAI | CBA | OAR | 179.8° | 179.9° |
| CAW | CAM | CAZ | H18 | 180.0° | 179.9° |
| CAW | CAM | CAZ | CBA | 1.4° | 0.1° |
| CAW | CAM | CAZ | NAO | 178.7° | 180.0° |
| CAM | CAW | CAH | H13 | 179.8° | 179.7° |
| CAI | CBA | CAZ | CAM | 1.3° | 0.1° |
| CAI | CBA | CAZ | OAR | 179.2° | 180.0° |
| CAI | CBA | CAZ | NAO | 178.6° | 180.0° |
| CAI | CBA | OAR | CAN | 2.4° | 0.0° |
| CBA | CAI | CAH | H13 | 179.9° | 179.7° |
| CAM | CAZ | CBA | NAO | 177.3° | 179.9° |
| CAM | CAZ | CBA | OAR | 179.5° | 180.0° |
| CAM | CAZ | NAO | CAV | 107.9° | 7.6° |
| CAM | CAZ | NAO | H21 | 72.0° | 172.4° |
| CAZ | CBA | OAR | CAN | 176.8° | 180.0° |
| CBA | CAZ | NAO | CAV | 74.8° | 172.4° |
| CAZ | CBA | CAI | H14 | 179.4° | 179.9° |
| CBA | CAZ | CAM | H18 | 178.6° | 180.0° |
| CBA | CAZ | NAO | H21 | 105.2° | 7.6° |
| OAR | CBA | CAZ | NAO | 2.1° | 0.1° |
| CBA | OAR | CAN | CAA | 173.6° | 180.0° |
| OAR | CBA | CAI | H14 | 0.2° | 0.1° |
| CBA | OAR | CAN | H19 | 53.9° | 60.0° |
| CBA | OAR | CAN | H20 | 66.6° | 60.0° |
| CAZ | NAO | CAV | H21 | 180.0° | 180.0° |
| CAZ | NAO | CAV | CAK | 15.1° | 137.7° |
| CAZ | NAO | CAV | CAJ | 164.9° | 42.3° |
| NAO | CAZ | CAM | H18 | 1.4° | 0.1° |
| OAR | CAN | CAA | H19 | 119.8° | 120.0° |
| OAR | CAN | CAA | H20 | 119.8° | 120.0° |
| OAR | CAN | CAA | H1 | 180.0° | 60.0° |
| OAR | CAN | CAA | H2 | 60.0° | 60.0° |
| OAR | CAN | CAA | H3 | 60.0° | 180.0° |
| OAR | CAN | H19 | H20 | 120.7° | 119.9° |
| CAN | CAA | H1 | H2 | 120.0° | 120.1° |
| CAN | CAA | H1 | H3 | 120.0° | 120.0° |
| CAN | CAA | H2 | H3 | 120.0° | 120.0° |
| CAA | CAN | H19 | H20 | 120.7° | 120.1° |
| NAO | CAV | CAK | CAJ | 180.0° | 180.0° |
| NAO | CAV | CAK | CAY | 179.8° | 180.0° |
| NAO | CAV | CAJ | CAX | 179.6° | 180.0° |
| NAO | CAV | CAJ | H15 | 0.4° | 0.3° |
| NAO | CAV | CAK | H16 | 0.1° | 0.0° |
| OAG | CAU | CAY | CAK | 7.8° | 0.0° |
| OAG | CAU | CAY | OAQ | 179.1° | 180.0° |
| OAG | CAU | CAY | CAL | 173.7° | 179.7° |
| OAG | CAU | OAQ | CAC | 1.0° | 0.1° |
| CAV | CAK | CAY | H16 | 180.0° | 179.9° |
| CAV | CAK | CAY | CAU | 179.9° | 179.9° |
| CAV | CAK | CAY | CAL | 1.4° | 0.2° |
| CAK | CAV | CAJ | CAX | 0.4° | 0.0° |
| CAK | CAV | CAJ | H15 | 179.6° | 179.7° |
| CAK | CAV | NAO | H21 | 164.9° | 42.4° |
| CAY | CAK | CAV | CAJ | 0.2° | 0.1° |
| CAK | CAY | CAU | CAL | 178.5° | 179.7° |
| CAK | CAY | CAU | OAQ | 171.2° | 180.0° |
| CAK | CAY | CAL | CAX | 2.0° | 0.5° |
| CAK | CAY | CAL | H17 | 178.0° | 180.0° |
| CAV | CAJ | CAX | H15 | 180.0° | 179.8° |
| CAV | CAJ | CAX | CAL | 0.3° | 0.2° |
| CAV | CAJ | CAX | CAT | 179.4° | 179.7° |
| CAJ | CAV | CAK | H16 | 179.8° | 180.0° |
| CAJ | CAV | NAO | H21 | 15.1° | 137.7° |
| CAY | CAU | OAQ | CAC | 178.0° | 180.0° |
| CAU | CAY | CAL | CAX | 179.5° | 179.8° |
| CAU | CAY | CAK | H16 | 0.2° | 0.0° |
| CAU | CAY | CAL | H17 | 0.5° | 0.3° |
| OAQ | CAU | CAY | CAL | 7.3° | 0.3° |
| CAU | OAQ | CAC | H7 | 180.0° | 60.0° |
| CAU | OAQ | CAC | H8 | 60.0° | 180.0° |
| CAU | OAQ | CAC | H9 | 60.0° | 60.0° |
| CAY | CAL | CAX | CAJ | 1.4° | 0.5° |
| CAY | CAL | CAX | H17 | 180.0° | 179.5° |
| CAY | CAL | CAX | CAT | 179.5° | 179.4° |
| CAL | CAY | CAK | H16 | 178.7° | 179.7° |
| CAJ | CAX | CAL | CAT | 179.1° | 179.9° |
| CAJ | CAX | CAT | OAF | 15.2° | 0.1° |
| CAJ | CAX | CAT | OAP | 166.1° | 180.0° |
| CAJ | CAX | CAL | H17 | 178.6° | 180.0° |
| OAQ | CAC | H7 | H8 | 120.0° | 120.0° |
| OAQ | CAC | H7 | H9 | 120.0° | 120.0° |
| OAQ | CAC | H8 | H9 | 120.0° | 120.0° |
| CAL | CAX | CAT | OAF | 165.7° | 180.0° |
| CAL | CAX | CAT | OAP | 12.9° | 0.1° |
| CAL | CAX | CAJ | H15 | 179.7° | 180.0° |
| CAX | CAT | OAF | OAP | 178.5° | 180.0° |
| CAX | CAT | OAP | CAB | 179.2° | 180.0° |
| CAT | CAX | CAJ | H15 | 0.7° | 0.1° |
| CAT | CAX | CAL | H17 | 0.5° | 0.1° |
| OAF | CAT | OAP | CAB | 2.2° | 0.0° |
| CAT | OAP | CAB | H4 | 180.0° | 60.0° |
| CAT | OAP | CAB | H5 | 60.0° | 180.0° |
| CAT | OAP | CAB | H6 | 60.0° | 60.1° |
| OAP | CAB | H4 | H5 | 120.0° | 120.0° |
| OAP | CAB | H4 | H6 | 120.0° | 120.0° |
| OAP | CAB | H5 | H6 | 120.0° | 120.0° |
| H1 | CAA | H2 | H3 | 120.0° | 120.0° |
| H1 | CAA | CAN | H19 | 60.2° | 59.9° |
| H1 | CAA | CAN | H20 | 60.3° | 180.0° |
| H2 | CAA | CAN | H19 | 179.8° | NaN° |
| H2 | CAA | CAN | H20 | 59.7° | 59.9° |
| H3 | CAA | CAN | H19 | 59.8° | 60.1° |
| H3 | CAA | CAN | H20 | 179.7° | 60.0° |
| H4 | CAB | H5 | H6 | 120.0° | 120.0° |
| H7 | CAC | H8 | H9 | 120.0° | 120.0° |
| H10 | CAD | H11 | H12 | 120.0° | 120.0° |
| H13 | CAH | CAI | H14 | 0.0° | 0.4° |
