6ZR
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CBA | OAZ | sing | 1.43Å | 1.43Å | |
| CAX | OAW | sing | 1.43Å | 1.48Å | |
| OAZ | CAY | sing | 1.36Å | 1.39Å | |
| CAY | CAV | doub | 1.39Å | 1.41Å | Aromatic |
| CAY | CAA | sing | 1.39Å | 1.40Å | Aromatic |
| OAW | CAV | sing | 1.36Å | 1.37Å | |
| CAV | CAS | sing | 1.39Å | 1.39Å | Aromatic |
| CAA | CAB | doub | 1.39Å | 1.42Å | Aromatic |
| OAE | CAD | doub | 1.21Å | 1.25Å | |
| CAS | OAT | sing | 1.36Å | 1.36Å | |
| CAS | CAR | doub | 1.39Å | 1.39Å | Aromatic |
| CAB | CAR | sing | 1.39Å | 1.39Å | Aromatic |
| CAB | NAC | sing | 1.40Å | 1.32Å | |
| OAT | CAU | sing | 1.43Å | 1.44Å | |
| CAD | NAC | sing | 1.36Å | 1.43Å | |
| CAD | CAF | sing | 1.52Å | 1.50Å | |
| NAC | CAH | sing | 1.47Å | 1.46Å | |
| CAF | CAG | sing | 1.53Å | 1.57Å | |
| CAF | CAH | sing | 1.54Å | 1.50Å | |
| CAH | CAI | sing | 1.51Å | 1.45Å | |
| CAQ | CAI | doub | 1.38Å | 1.40Å | Aromatic |
| CAQ | CAP | sing | 1.38Å | 1.40Å | Aromatic |
| CAI | CAJ | sing | 1.38Å | 1.41Å | Aromatic |
| CAP | CAM | doub | 1.38Å | 1.40Å | Aromatic |
| CAJ | CAK | doub | 1.39Å | 1.41Å | Aromatic |
| CAM | CAK | sing | 1.39Å | 1.43Å | Aromatic |
| CAM | OAN | sing | 1.36Å | 1.37Å | |
| CAK | OAL | sing | 1.36Å | 1.39Å | |
| OAN | CAO | sing | 1.43Å | 1.42Å | |
| CAO | H1 | sing | 1.09Å | 1.10Å | |
| CAO | H2 | sing | 1.09Å | 1.10Å | |
| CAO | H3 | sing | 1.09Å | 1.10Å | |
| CAJ | H4 | sing | 1.08Å | 1.08Å | |
| OAL | H5 | sing | 0.97Å | 0.95Å | |
| CAP | H6 | sing | 1.08Å | 1.08Å | |
| CAQ | H7 | sing | 1.08Å | 1.08Å | |
| CAH | H8 | sing | 1.09Å | 1.10Å | |
| CAF | H9 | sing | 1.09Å | 1.10Å | |
| CAG | H10 | sing | 1.09Å | 1.10Å | |
| CAG | H11 | sing | 1.09Å | 1.10Å | |
| CAG | H12 | sing | 1.09Å | 1.10Å | |
| CAR | H13 | sing | 1.08Å | 1.08Å | |
| CAA | H14 | sing | 1.08Å | 1.08Å | |
| CBA | H15 | sing | 1.09Å | 1.10Å | |
| CBA | H16 | sing | 1.09Å | 1.10Å | |
| CBA | H17 | sing | 1.09Å | 1.10Å | |
| CAX | H18 | sing | 1.09Å | 1.10Å | |
| CAX | H19 | sing | 1.09Å | 1.10Å | |
| CAX | H20 | sing | 1.09Å | 1.10Å | |
| CAU | H21 | sing | 1.09Å | 1.10Å | |
| CAU | H22 | sing | 1.09Å | 1.10Å | |
| CAU | H23 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CBA | OAZ | CAY | 113.8° | 117.0° |
| OAZ | CBA | H15 | 109.5° | 109.5° |
| OAZ | CBA | H16 | 109.5° | 109.5° |
| OAZ | CBA | H17 | 109.5° | 109.5° |
| CAX | OAW | CAV | 117.2° | 117.0° |
| OAW | CAX | H18 | 109.5° | 109.5° |
| OAW | CAX | H19 | 109.5° | 109.5° |
| OAW | CAX | H20 | 109.5° | 109.5° |
| OAZ | CAY | CAV | 120.3° | 120.0° |
| OAZ | CAY | CAA | 122.2° | 120.0° |
| CAV | CAY | CAA | 117.4° | 120.0° |
| CAY | CAV | OAW | 123.9° | 120.0° |
| CAY | CAV | CAS | 121.2° | 119.9° |
| CAY | CAA | CAB | 121.1° | 120.0° |
| CAY | CAA | H14 | 119.5° | 120.0° |
| OAW | CAV | CAS | 115.0° | 120.0° |
| CAV | CAS | OAT | 115.7° | 120.0° |
| CAV | CAS | CAR | 121.4° | 120.0° |
| CAA | CAB | CAR | 120.4° | 120.0° |
| CAA | CAB | NAC | 121.6° | 120.0° |
| CAB | CAA | H14 | 119.4° | 120.0° |
| OAE | CAD | NAC | 134.6° | 134.2° |
| OAE | CAD | CAF | 133.3° | 134.2° |
| OAT | CAS | CAR | 122.9° | 120.0° |
| CAS | OAT | CAU | 111.8° | 117.0° |
| CAS | CAR | CAB | 118.4° | 120.0° |
| CAS | CAR | H13 | 120.8° | 120.0° |
| CAR | CAB | NAC | 117.8° | 120.0° |
| CAB | CAR | H13 | 120.8° | 120.0° |
| CAB | NAC | CAD | 129.9° | 132.4° |
| CAB | NAC | CAH | 135.2° | 132.5° |
| OAT | CAU | H21 | 109.5° | 109.5° |
| OAT | CAU | H22 | 109.5° | 109.5° |
| OAT | CAU | H23 | 109.5° | 109.5° |
| NAC | CAD | CAF | 90.9° | 91.7° |
| CAD | NAC | CAH | 90.8° | 95.1° |
| CAD | CAF | CAG | 105.8° | 113.7° |
| CAD | CAF | CAH | 86.6° | 86.6° |
| CAD | CAF | H9 | 117.2° | 113.8° |
| NAC | CAH | CAF | 89.4° | 86.7° |
| NAC | CAH | CAI | 121.1° | 113.7° |
| NAC | CAH | H8 | 109.3° | 113.7° |
| CAG | CAF | CAH | 110.5° | 113.7° |
| CAG | CAF | H9 | 115.8° | 112.9° |
| CAF | CAG | H10 | 109.5° | 109.5° |
| CAF | CAG | H11 | 109.5° | 109.5° |
| CAF | CAG | H12 | 109.4° | 109.5° |
| CAF | CAH | CAI | 117.1° | 113.7° |
| CAF | CAH | H8 | 108.7° | 113.7° |
| CAH | CAF | H9 | 117.1° | 113.7° |
| CAH | CAI | CAQ | 119.8° | 119.9° |
| CAH | CAI | CAJ | 118.7° | 119.9° |
| CAI | CAH | H8 | 109.5° | 112.9° |
| CAI | CAQ | CAP | 119.9° | 120.1° |
| CAQ | CAI | CAJ | 121.5° | 120.2° |
| CAI | CAQ | H7 | 120.1° | 120.0° |
| CAQ | CAP | CAM | 119.4° | 120.0° |
| CAQ | CAP | H6 | 120.3° | 120.0° |
| CAP | CAQ | H7 | 120.1° | 119.9° |
| CAI | CAJ | CAK | 119.4° | 120.0° |
| CAI | CAJ | H4 | 120.3° | 120.0° |
| CAP | CAM | CAK | 121.4° | 119.9° |
| CAP | CAM | OAN | 114.1° | 120.0° |
| CAM | CAP | H6 | 120.3° | 120.0° |
| CAJ | CAK | CAM | 118.5° | 119.9° |
| CAJ | CAK | OAL | 119.9° | 120.1° |
| CAK | CAJ | H4 | 120.3° | 120.0° |
| CAK | CAM | OAN | 124.5° | 120.1° |
| CAM | CAK | OAL | 121.6° | 120.1° |
| CAM | OAN | CAO | 120.0° | 117.1° |
| CAK | OAL | H5 | 109.5° | 114.1° |
| OAN | CAO | H1 | 109.5° | 109.5° |
| OAN | CAO | H2 | 109.5° | 109.4° |
| OAN | CAO | H3 | 109.5° | 109.5° |
| H1 | CAO | H2 | 109.5° | 109.5° |
| H1 | CAO | H3 | 109.5° | 109.5° |
| H2 | CAO | H3 | 109.5° | 109.5° |
| H10 | CAG | H11 | 109.5° | 109.5° |
| H10 | CAG | H12 | 109.5° | 109.5° |
| H11 | CAG | H12 | 109.5° | 109.4° |
| H15 | CBA | H16 | 109.4° | 109.5° |
| H15 | CBA | H17 | 109.5° | 109.4° |
| H16 | CBA | H17 | 109.5° | 109.5° |
| H18 | CAX | H19 | 109.5° | 109.5° |
| H18 | CAX | H20 | 109.5° | 109.5° |
| H19 | CAX | H20 | 109.5° | 109.4° |
| H21 | CAU | H22 | 109.5° | 109.5° |
| H21 | CAU | H23 | 109.5° | 109.5° |
| H22 | CAU | H23 | 109.4° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CBA | OAZ | CAY | CAV | 173.1° | 180.0° |
| CBA | OAZ | CAY | CAA | 5.3° | 0.2° |
| OAZ | CBA | H15 | H16 | 120.0° | 120.0° |
| OAZ | CBA | H15 | H17 | 120.0° | 120.0° |
| OAZ | CBA | H16 | H17 | 120.0° | 120.0° |
| CAX | OAW | CAV | CAY | 10.2° | 90.0° |
| CAX | OAW | CAV | CAS | 169.9° | 89.7° |
| OAW | CAX | H18 | H19 | 120.0° | 120.0° |
| OAW | CAX | H18 | H20 | 120.0° | 120.0° |
| OAW | CAX | H19 | H20 | 120.0° | 119.9° |
| OAZ | CAY | CAV | CAA | 178.5° | 179.8° |
| OAZ | CAY | CAV | OAW | 1.5° | 0.2° |
| OAZ | CAY | CAV | CAS | 178.6° | 180.0° |
| OAZ | CAY | CAA | CAB | 179.9° | 179.7° |
| OAZ | CAY | CAA | H14 | 0.1° | 0.2° |
| CAY | OAZ | CBA | H15 | 180.0° | 180.0° |
| CAY | OAZ | CBA | H16 | 60.0° | 60.0° |
| CAY | OAZ | CBA | H17 | 60.0° | 60.0° |
| CAY | CAV | OAW | CAS | 179.9° | 179.8° |
| CAV | CAY | CAA | CAB | 1.7° | 0.1° |
| CAY | CAV | CAS | OAT | 179.5° | 180.0° |
| CAY | CAV | CAS | CAR | 0.6° | 0.5° |
| CAV | CAY | CAA | H14 | 178.4° | 180.0° |
| CAA | CAY | CAV | OAW | 180.0° | 180.0° |
| CAA | CAY | CAV | CAS | 0.1° | 0.2° |
| CAY | CAA | CAB | H14 | 180.0° | 179.9° |
| CAY | CAA | CAB | CAR | 2.6° | 0.1° |
| CAY | CAA | CAB | NAC | 178.5° | 179.7° |
| OAW | CAV | CAS | OAT | 0.6° | 0.2° |
| OAW | CAV | CAS | CAR | 179.3° | 179.7° |
| CAV | OAW | CAX | H18 | 180.0° | 180.0° |
| CAV | OAW | CAX | H19 | 60.0° | 60.0° |
| CAV | OAW | CAX | H20 | 60.0° | 59.9° |
| CAV | CAS | OAT | CAR | 179.9° | 179.5° |
| CAV | CAS | CAR | CAB | 0.3° | 0.5° |
| CAV | CAS | OAT | CAU | 176.2° | 180.0° |
| CAV | CAS | CAR | H13 | 179.7° | 179.5° |
| CAA | CAB | CAR | CAS | 1.8° | 0.2° |
| CAA | CAB | CAR | NAC | 176.1° | 179.7° |
| CAA | CAB | NAC | CAD | 26.2° | 179.7° |
| CAA | CAB | NAC | CAH | 176.6° | 0.1° |
| CAA | CAB | CAR | H13 | 178.2° | 179.8° |
| OAE | CAD | NAC | CAB | 20.6° | 0.1° |
| OAE | CAD | NAC | CAF | 167.9° | 180.0° |
| OAE | CAD | NAC | CAH | 179.8° | 180.0° |
| OAE | CAD | CAF | CAG | 69.4° | 65.6° |
| OAE | CAD | CAF | CAH | 179.7° | 180.0° |
| OAE | CAD | CAF | H9 | 61.4° | 65.6° |
| OAT | CAS | CAR | CAB | 179.6° | 180.0° |
| OAT | CAS | CAR | H13 | 0.4° | 0.0° |
| CAS | OAT | CAU | H21 | 180.0° | 60.0° |
| CAS | OAT | CAU | H22 | 60.0° | 180.0° |
| CAS | OAT | CAU | H23 | 60.0° | 60.0° |
| CAS | CAR | CAB | H13 | 180.0° | 180.0° |
| CAS | CAR | CAB | NAC | 177.9° | 180.0° |
| CAR | CAS | OAT | CAU | 3.9° | 0.5° |
| CAR | CAB | NAC | CAD | 149.8° | 0.0° |
| CAR | CAB | NAC | CAH | 0.5° | 179.8° |
| CAR | CAB | CAA | H14 | 177.4° | 180.0° |
| CAB | NAC | CAD | CAH | 159.6° | 179.9° |
| CAB | NAC | CAD | CAF | 171.4° | 180.0° |
| CAB | NAC | CAH | CAF | 169.5° | 179.9° |
| CAB | NAC | CAH | CAI | 68.8° | 65.4° |
| CAB | NAC | CAH | H8 | 59.8° | 65.6° |
| NAC | CAB | CAR | H13 | 2.1° | 0.0° |
| NAC | CAB | CAA | H14 | 1.5° | 0.2° |
| OAT | CAU | H21 | H22 | 120.0° | 120.0° |
| OAT | CAU | H21 | H23 | 120.0° | 120.0° |
| OAT | CAU | H22 | H23 | 120.0° | 120.0° |
| NAC | CAD | CAF | CAG | 98.8° | 114.5° |
| NAC | CAD | CAF | CAH | 11.5° | 0.1° |
| CAD | NAC | CAH | CAI | 133.5° | 114.4° |
| CAD | NAC | CAH | H8 | 97.9° | 114.6° |
| NAC | CAD | CAF | H9 | 130.4° | 114.4° |
| CAD | CAF | CAG | CAH | 92.2° | 97.0° |
| CAD | CAF | CAG | H9 | 131.6° | 131.6° |
| CAD | CAF | CAH | H9 | 118.9° | 114.5° |
| CAD | CAF | CAH | CAI | 136.4° | 114.4° |
| CAD | CAF | CAH | H8 | 98.9° | 114.5° |
| CAD | CAF | CAG | H10 | 180.0° | 37.0° |
| CAD | CAF | CAG | H11 | 60.0° | 83.0° |
| CAD | CAF | CAG | H12 | 60.0° | 157.0° |
| NAC | CAH | CAF | CAG | 94.3° | 114.5° |
| NAC | CAH | CAF | CAI | 125.1° | 114.5° |
| NAC | CAH | CAF | H8 | 110.2° | 114.4° |
| NAC | CAH | CAI | H8 | 128.5° | 131.4° |
| NAC | CAH | CAI | CAQ | 3.4° | 18.9° |
| NAC | CAH | CAI | CAJ | 177.9° | 161.8° |
| NAC | CAH | CAF | H9 | 130.2° | 114.5° |
| CAG | CAF | CAH | H9 | 135.5° | 131.1° |
| CAG | CAF | CAH | CAI | 30.8° | 0.0° |
| CAG | CAF | CAH | H8 | 155.5° | 131.1° |
| CAF | CAG | H10 | H11 | 120.0° | 120.0° |
| CAF | CAG | H10 | H12 | 120.0° | 120.0° |
| CAF | CAG | H11 | H12 | 120.0° | 120.0° |
| CAF | CAH | CAI | H8 | 124.3° | 131.5° |
| CAF | CAH | CAI | CAQ | 110.6° | 78.2° |
| CAF | CAH | CAI | CAJ | 70.8° | 101.1° |
| CAH | CAF | CAG | H10 | 87.8° | 60.0° |
| CAH | CAF | CAG | H11 | 32.2° | 180.0° |
| CAH | CAF | CAG | H12 | 152.2° | 60.0° |
| CAH | CAI | CAQ | CAJ | 178.6° | 179.2° |
| CAH | CAI | CAQ | CAP | 179.9° | 180.0° |
| CAH | CAI | CAJ | CAK | 179.9° | 179.7° |
| CAH | CAI | CAJ | H4 | 0.1° | 0.3° |
| CAH | CAI | CAQ | H7 | 0.2° | 0.8° |
| CAI | CAH | CAF | H9 | 104.7° | 131.1° |
| CAI | CAQ | CAP | H7 | 180.0° | 179.2° |
| CAI | CAQ | CAP | CAM | 0.3° | 0.5° |
| CAQ | CAI | CAJ | CAK | 1.4° | 0.5° |
| CAQ | CAI | CAJ | H4 | 178.6° | 179.5° |
| CAI | CAQ | CAP | H6 | 179.7° | 179.5° |
| CAQ | CAI | CAH | H8 | 125.1° | 150.3° |
| CAP | CAQ | CAI | CAJ | 1.2° | 0.8° |
| CAQ | CAP | CAM | H6 | 180.0° | 179.9° |
| CAQ | CAP | CAM | CAK | 0.4° | 0.0° |
| CAQ | CAP | CAM | OAN | 180.0° | 179.7° |
| CAI | CAJ | CAK | H4 | 180.0° | 180.0° |
| CAI | CAJ | CAK | CAM | 0.7° | 0.0° |
| CAI | CAJ | CAK | OAL | 179.7° | 180.0° |
| CAJ | CAI | CAQ | H7 | 178.8° | 180.0° |
| CAJ | CAI | CAH | H8 | 53.6° | 30.5° |
| CAP | CAM | CAK | CAJ | 0.2° | 0.3° |
| CAP | CAM | CAK | OAN | 179.6° | 179.7° |
| CAP | CAM | CAK | OAL | 179.4° | 179.7° |
| CAP | CAM | OAN | CAO | 179.2° | 0.3° |
| CAM | CAP | CAQ | H7 | 179.7° | 179.7° |
| CAJ | CAK | CAM | OAL | 179.5° | 180.0° |
| CAJ | CAK | CAM | OAN | 179.7° | 180.0° |
| CAJ | CAK | OAL | H5 | 180.0° | 90.0° |
| CAK | CAM | OAN | CAO | 1.2° | 180.0° |
| CAM | CAK | CAJ | H4 | 179.3° | 180.0° |
| CAM | CAK | OAL | H5 | 0.5° | 90.0° |
| CAK | CAM | CAP | H6 | 179.6° | 180.0° |
| OAN | CAM | CAK | OAL | 0.2° | 0.0° |
| CAM | OAN | CAO | H1 | 180.0° | 60.0° |
| CAM | OAN | CAO | H2 | 60.0° | 60.0° |
| CAM | OAN | CAO | H3 | 60.0° | 180.0° |
| OAN | CAM | CAP | H6 | 0.0° | 0.2° |
| OAL | CAK | CAJ | H4 | 0.3° | 0.0° |
| OAN | CAO | H1 | H2 | 120.0° | 120.0° |
| OAN | CAO | H1 | H3 | 120.0° | 120.0° |
| OAN | CAO | H2 | H3 | 120.0° | 120.0° |
| H1 | CAO | H2 | H3 | 120.0° | 120.0° |
| H6 | CAP | CAQ | H7 | 0.3° | 0.3° |
| H8 | CAH | CAF | H9 | 20.0° | 0.0° |
| H9 | CAF | CAG | H10 | 48.4° | 168.6° |
| H9 | CAF | CAG | H11 | 168.4° | 48.6° |
| H9 | CAF | CAG | H12 | 71.6° | 71.4° |
| H10 | CAG | H11 | H12 | 120.0° | 120.0° |
| H15 | CBA | H16 | H17 | 120.0° | 119.9° |
| H18 | CAX | H19 | H20 | 120.0° | 120.0° |
| H21 | CAU | H22 | H23 | 120.0° | 120.0° |
