8QH
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAA | CAR | sing | 1.51Å | 1.38Å | |
| CAR | CAG | doub | 1.38Å | 1.39Å | Aromatic |
| CAR | CAH | sing | 1.38Å | 1.38Å | Aromatic |
| CAG | CAI | sing | 1.38Å | 1.40Å | Aromatic |
| CAH | CAJ | doub | 1.38Å | 1.38Å | Aromatic |
| CAI | CAT | doub | 1.39Å | 1.39Å | Aromatic |
| CAJ | CAT | sing | 1.39Å | 1.40Å | Aromatic |
| CAT | NAN | sing | 1.40Å | 1.34Å | |
| NAN | CAF | sing | 1.36Å | 1.33Å | |
| CAF | CAQ | doub | 1.38Å | 1.38Å | |
| CL2 | CAV | sing | 1.74Å | 1.74Å | |
| CAQ | CAX | sing | 1.48Å | 1.33Å | |
| CAQ | CAP | sing | 1.42Å | 1.39Å | |
| OAO | CAX | sing | 1.34Å | 1.31Å | Aromatic |
| OAO | CAZ | sing | 1.34Å | 1.30Å | Aromatic |
| OAB | CAP | doub | 1.21Å | 1.23Å | |
| CAX | CAW | doub | 1.37Å | 1.33Å | Aromatic |
| CAP | CAL | sing | 1.50Å | 1.37Å | |
| CAV | CAZ | doub | 1.39Å | 1.33Å | Aromatic |
| CAV | CAU | sing | 1.39Å | 1.38Å | Aromatic |
| CAZ | CAY | sing | 1.42Å | 1.34Å | Aromatic |
| CAW | CAY | sing | 1.44Å | 1.34Å | Aromatic |
| CAW | CAM | sing | 1.50Å | 1.39Å | |
| CAL | CAM | sing | 1.53Å | 1.50Å | |
| CL1 | CAU | sing | 1.74Å | 1.72Å | |
| CAU | CAS | doub | 1.39Å | 1.38Å | Aromatic |
| CAY | CAK | doub | 1.40Å | 1.33Å | Aromatic |
| CAS | CAK | sing | 1.39Å | 1.39Å | Aromatic |
| CAS | OAC | sing | 1.36Å | 1.36Å | |
| CAA | H1 | sing | 1.09Å | 1.10Å | |
| CAA | H2 | sing | 1.09Å | 1.10Å | |
| CAA | H3 | sing | 1.09Å | 1.10Å | |
| CAF | H4 | sing | 1.08Å | 1.08Å | |
| CAG | H5 | sing | 1.08Å | 1.08Å | |
| CAH | H6 | sing | 1.08Å | 1.08Å | |
| CAI | H7 | sing | 1.08Å | 1.08Å | |
| CAJ | H8 | sing | 1.08Å | 1.08Å | |
| CAK | H9 | sing | 1.08Å | 1.08Å | |
| CAL | H10 | sing | 1.09Å | 1.10Å | |
| CAL | H11 | sing | 1.09Å | 1.10Å | |
| CAM | H12 | sing | 1.09Å | 1.10Å | |
| CAM | H13 | sing | 1.09Å | 1.10Å | |
| NAN | H14 | sing | 0.97Å | 1.00Å | |
| OAC | H15 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAA | CAR | CAG | 121.6° | 119.9° |
| CAA | CAR | CAH | 118.1° | 119.9° |
| CAR | CAA | H1 | 109.5° | 109.5° |
| CAR | CAA | H2 | 109.5° | 109.5° |
| CAR | CAA | H3 | 109.5° | 109.5° |
| CAG | CAR | CAH | 120.3° | 120.1° |
| CAR | CAG | CAI | 120.7° | 120.1° |
| CAR | CAG | H5 | 119.6° | 120.0° |
| CAR | CAH | CAJ | 118.6° | 120.1° |
| CAR | CAH | H6 | 120.7° | 120.0° |
| CAG | CAI | CAT | 119.3° | 119.9° |
| CAI | CAG | H5 | 119.7° | 120.0° |
| CAG | CAI | H7 | 120.3° | 120.0° |
| CAH | CAJ | CAT | 122.3° | 119.9° |
| CAJ | CAH | H6 | 120.7° | 120.0° |
| CAH | CAJ | H8 | 118.9° | 120.0° |
| CAI | CAT | CAJ | 118.8° | 119.9° |
| CAI | CAT | NAN | 124.3° | 120.1° |
| CAT | CAI | H7 | 120.3° | 120.1° |
| CAJ | CAT | NAN | 116.9° | 120.0° |
| CAT | CAJ | H8 | 118.8° | 120.1° |
| CAT | NAN | CAF | 108.9° | 120.1° |
| CAT | NAN | H14 | 125.6° | 120.0° |
| NAN | CAF | CAQ | 125.2° | 120.0° |
| NAN | CAF | H4 | 117.4° | 119.9° |
| CAF | NAN | H14 | 125.6° | 120.0° |
| CAF | CAQ | CAX | 110.9° | 121.8° |
| CAF | CAQ | CAP | 127.8° | 121.7° |
| CAQ | CAF | H4 | 117.4° | 120.0° |
| CL2 | CAV | CAZ | 119.9° | 121.3° |
| CL2 | CAV | CAU | 120.4° | 121.4° |
| CAX | CAQ | CAP | 121.2° | 116.5° |
| CAQ | CAX | OAO | 127.3° | 129.4° |
| CAQ | CAX | CAW | 123.9° | 120.7° |
| CAQ | CAP | OAB | 122.8° | 119.6° |
| CAQ | CAP | CAL | 112.7° | 120.8° |
| CAX | OAO | CAZ | 109.0° | 110.5° |
| OAO | CAX | CAW | 108.2° | 110.0° |
| OAO | CAZ | CAV | 129.0° | 131.6° |
| OAO | CAZ | CAY | 108.4° | 107.8° |
| OAB | CAP | CAL | 122.5° | 119.6° |
| CAX | CAW | CAY | 107.2° | 106.2° |
| CAX | CAW | CAM | 114.4° | 123.0° |
| CAP | CAL | CAM | 113.3° | 112.1° |
| CAP | CAL | H10 | 108.5° | 109.0° |
| CAP | CAL | H11 | 108.5° | 108.7° |
| CAZ | CAV | CAU | 119.7° | 117.3° |
| CAV | CAZ | CAY | 122.6° | 120.6° |
| CAV | CAU | CL1 | 120.2° | 118.9° |
| CAV | CAU | CAS | 118.0° | 122.2° |
| CAZ | CAY | CAW | 106.8° | 105.5° |
| CAZ | CAY | CAK | 120.4° | 121.4° |
| CAY | CAW | CAM | 136.6° | 130.8° |
| CAW | CAY | CAK | 132.7° | 133.1° |
| CAW | CAM | CAL | 109.3° | 109.7° |
| CAW | CAM | H12 | 109.5° | 109.4° |
| CAW | CAM | H13 | 109.5° | 109.4° |
| CAM | CAL | H10 | 108.5° | 109.0° |
| CAM | CAL | H11 | 108.5° | 109.0° |
| CAL | CAM | H12 | 109.5° | 109.4° |
| CAL | CAM | H13 | 109.5° | 109.4° |
| CL1 | CAU | CAS | 121.7° | 118.9° |
| CAU | CAS | CAK | 120.3° | 121.6° |
| CAU | CAS | OAC | 116.4° | 119.2° |
| CAY | CAK | CAS | 119.0° | 116.9° |
| CAY | CAK | H9 | 120.5° | 121.6° |
| CAK | CAS | OAC | 123.3° | 119.2° |
| CAS | CAK | H9 | 120.6° | 121.5° |
| CAS | OAC | H15 | 109.5° | 114.0° |
| H1 | CAA | H2 | 109.5° | 109.5° |
| H1 | CAA | H3 | 109.4° | 109.5° |
| H2 | CAA | H3 | 109.5° | 109.5° |
| H10 | CAL | H11 | 109.5° | 109.0° |
| H12 | CAM | H13 | 109.4° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAA | CAR | CAG | CAH | 179.8° | 179.9° |
| CAA | CAR | CAG | CAI | 179.9° | 179.9° |
| CAA | CAR | CAH | CAJ | 180.0° | 179.5° |
| CAR | CAA | H1 | H2 | 120.0° | 120.0° |
| CAR | CAA | H1 | H3 | 120.0° | 120.0° |
| CAR | CAA | H2 | H3 | 120.0° | 120.0° |
| CAA | CAR | CAG | H5 | 0.1° | 0.2° |
| CAA | CAR | CAH | H6 | 0.0° | 0.3° |
| CAR | CAG | CAI | H5 | 180.0° | 179.7° |
| CAG | CAR | CAH | CAJ | 0.2° | 0.6° |
| CAR | CAG | CAI | CAT | 0.4° | 0.3° |
| CAG | CAR | CAA | H1 | 90.1° | 90.0° |
| CAG | CAR | CAA | H2 | 149.9° | 150.0° |
| CAG | CAR | CAA | H3 | 29.9° | 30.0° |
| CAG | CAR | CAH | H6 | 179.8° | 179.7° |
| CAR | CAG | CAI | H7 | 179.6° | 179.8° |
| CAH | CAR | CAG | CAI | 0.1° | 0.0° |
| CAR | CAH | CAJ | H6 | 180.0° | 179.2° |
| CAR | CAH | CAJ | CAT | 0.7° | 0.9° |
| CAH | CAR | CAA | H1 | 90.1° | 90.1° |
| CAH | CAR | CAA | H2 | 29.9° | 30.0° |
| CAH | CAR | CAA | H3 | 149.9° | 150.0° |
| CAH | CAR | CAG | H5 | 179.9° | 179.7° |
| CAR | CAH | CAJ | H8 | 179.3° | 179.2° |
| CAG | CAI | CAT | H7 | 180.0° | 179.9° |
| CAG | CAI | CAT | CAJ | 0.9° | 0.1° |
| CAG | CAI | CAT | NAN | 179.9° | 180.0° |
| CAH | CAJ | CAT | CAI | 1.1° | 0.5° |
| CAH | CAJ | CAT | H8 | 180.0° | 180.0° |
| CAH | CAJ | CAT | NAN | 179.8° | 179.4° |
| CAI | CAT | CAJ | NAN | 179.1° | 180.0° |
| CAI | CAT | NAN | CAF | 178.8° | 180.0° |
| CAT | CAI | CAG | H5 | 179.5° | 180.0° |
| CAI | CAT | CAJ | H8 | 178.9° | 179.5° |
| CAI | CAT | NAN | H14 | 1.1° | 0.0° |
| CAJ | CAT | NAN | CAF | 0.2° | 0.0° |
| CAT | CAJ | CAH | H6 | 179.3° | 180.0° |
| CAJ | CAT | CAI | H7 | 179.1° | 179.9° |
| CAJ | CAT | NAN | H14 | 179.8° | 180.0° |
| CAT | NAN | CAF | H14 | 180.0° | 180.0° |
| CAT | NAN | CAF | CAQ | 180.0° | 174.3° |
| CAT | NAN | CAF | H4 | 0.0° | 5.7° |
| NAN | CAT | CAI | H7 | 0.1° | 0.1° |
| NAN | CAT | CAJ | H8 | 0.2° | 0.5° |
| NAN | CAF | CAQ | H4 | 180.0° | 180.0° |
| NAN | CAF | CAQ | CAX | 178.4° | 175.4° |
| NAN | CAF | CAQ | CAP | 5.3° | 4.6° |
| CAF | CAQ | CAX | CAP | 176.7° | 180.0° |
| CAF | CAQ | CAX | OAO | 10.7° | 10.0° |
| CAF | CAQ | CAP | OAB | 0.3° | 9.3° |
| CAF | CAQ | CAX | CAW | 179.2° | 169.4° |
| CAF | CAQ | CAP | CAL | 164.9° | 170.4° |
| CAQ | CAF | NAN | H14 | 0.0° | 5.7° |
| CL2 | CAV | CAZ | OAO | 0.4° | 0.4° |
| CL2 | CAV | CAZ | CAU | 179.6° | 179.7° |
| CL2 | CAV | CAZ | CAY | 180.0° | 179.9° |
| CL2 | CAV | CAU | CL1 | 0.2° | 0.2° |
| CL2 | CAV | CAU | CAS | 179.8° | 179.8° |
| CAQ | CAX | OAO | CAW | 171.4° | 179.5° |
| CAQ | CAX | OAO | CAZ | 176.4° | 178.8° |
| CAX | CAQ | CAP | OAB | 175.8° | 170.7° |
| CAX | CAQ | CAP | CAL | 11.2° | 9.6° |
| CAQ | CAX | CAW | CAY | 178.8° | 178.9° |
| CAQ | CAX | CAW | CAM | 13.9° | 1.2° |
| CAX | CAQ | CAF | H4 | 1.6° | 4.6° |
| CAP | CAQ | CAX | OAO | 165.9° | 170.0° |
| CAQ | CAP | OAB | CAL | 163.1° | 179.7° |
| CAP | CAQ | CAX | CAW | 4.2° | 10.6° |
| CAQ | CAP | CAL | CAM | 41.7° | 39.1° |
| CAP | CAQ | CAF | H4 | 174.7° | 175.4° |
| CAQ | CAP | CAL | H10 | 162.3° | 159.9° |
| CAQ | CAP | CAL | H11 | 78.9° | 81.4° |
| CAX | OAO | CAZ | CAV | 179.3° | 179.2° |
| CAX | OAO | CAZ | CAY | 1.0° | 1.1° |
| OAO | CAX | CAW | CAY | 7.0° | 1.6° |
| OAO | CAX | CAW | CAM | 174.3° | 178.3° |
| CAZ | OAO | CAX | CAW | 5.0° | 1.7° |
| OAO | CAZ | CAV | CAY | 179.6° | 179.7° |
| OAO | CAZ | CAV | CAU | 180.0° | 179.9° |
| OAO | CAZ | CAY | CAW | 3.3° | 0.1° |
| OAO | CAZ | CAY | CAK | 180.0° | 179.9° |
| OAB | CAP | CAL | CAM | 153.6° | 141.2° |
| OAB | CAP | CAL | H10 | 33.1° | 20.4° |
| OAB | CAP | CAL | H11 | 85.8° | 98.3° |
| CAX | CAW | CAY | CAZ | 6.3° | 0.9° |
| CAX | CAW | CAY | CAM | 163.0° | 179.9° |
| CAX | CAW | CAM | CAL | 42.7° | 30.2° |
| CAX | CAW | CAY | CAK | 177.6° | 178.9° |
| CAX | CAW | CAM | H12 | 162.7° | 150.3° |
| CAX | CAW | CAM | H13 | 77.4° | 89.9° |
| CAP | CAL | CAM | CAW | 59.0° | 46.4° |
| CAP | CAL | CAM | H10 | 120.6° | 120.8° |
| CAP | CAL | CAM | H11 | 120.6° | 120.3° |
| CAP | CAL | H10 | H11 | 118.3° | 118.5° |
| CAP | CAL | CAM | H12 | 179.0° | 166.5° |
| CAP | CAL | CAM | H13 | 61.0° | 73.6° |
| CAV | CAZ | CAY | CAW | 176.4° | 179.8° |
| CAZ | CAV | CAU | CL1 | 179.8° | 179.9° |
| CAZ | CAV | CAU | CAS | 0.2° | 0.1° |
| CAV | CAZ | CAY | CAK | 0.3° | 0.3° |
| CAU | CAV | CAZ | CAY | 0.3° | 0.2° |
| CAV | CAU | CL1 | CAS | 180.0° | 180.0° |
| CAV | CAU | CAS | CAK | 0.1° | 0.1° |
| CAV | CAU | CAS | OAC | 179.9° | 179.9° |
| CAZ | CAY | CAW | CAK | 176.1° | 179.8° |
| CAZ | CAY | CAW | CAM | 169.3° | 179.0° |
| CAZ | CAY | CAK | CAS | 0.1° | 0.3° |
| CAZ | CAY | CAK | H9 | 179.9° | 179.9° |
| CAY | CAW | CAM | CAL | 155.2° | 149.9° |
| CAW | CAY | CAK | CAS | 175.5° | 179.8° |
| CAW | CAY | CAK | H9 | 4.4° | 0.1° |
| CAY | CAW | CAM | H12 | 35.2° | 29.8° |
| CAY | CAW | CAM | H13 | 84.8° | 90.0° |
| CAW | CAM | CAL | H12 | 120.0° | 120.1° |
| CAW | CAM | CAL | H13 | 120.0° | 120.1° |
| CAM | CAW | CAY | CAK | 14.6° | 1.2° |
| CAW | CAM | CAL | H10 | 179.6° | 167.3° |
| CAW | CAM | CAL | H11 | 61.6° | 73.9° |
| CAW | CAM | H12 | H13 | 120.0° | 119.9° |
| CAM | CAL | H10 | H11 | 118.3° | 118.8° |
| CAL | CAM | H12 | H13 | 120.1° | 119.9° |
| CL1 | CAU | CAS | CAK | 179.9° | 179.9° |
| CL1 | CAU | CAS | OAC | 0.1° | 0.1° |
| CAU | CAS | CAK | CAY | 0.0° | 0.2° |
| CAU | CAS | CAK | OAC | 179.8° | 179.9° |
| CAU | CAS | CAK | H9 | 180.0° | 180.0° |
| CAU | CAS | OAC | H15 | 180.0° | 90.1° |
| CAY | CAK | CAS | H9 | 180.0° | 179.8° |
| CAY | CAK | CAS | OAC | 179.8° | 179.8° |
| CAK | CAS | OAC | H15 | 0.2° | 90.0° |
| OAC | CAS | CAK | H9 | 0.2° | 0.1° |
| H1 | CAA | H2 | H3 | 119.9° | 120.0° |
| H4 | CAF | NAN | H14 | 180.0° | 174.3° |
| H5 | CAG | CAI | H7 | 0.4° | 0.1° |
| H6 | CAH | CAJ | H8 | 0.8° | 0.0° |
| H10 | CAL | CAM | H12 | 60.5° | 72.7° |
| H10 | CAL | CAM | H13 | 59.6° | 47.2° |
| H11 | CAL | CAM | H12 | 58.4° | 46.2° |
| H11 | CAL | CAM | H13 | 178.4° | 166.0° |
