8CR
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CBC | CAZ | sing | 1.53Å | 1.48Å | |
| CAZ | CBB | sing | 1.53Å | 1.48Å | |
| CAZ | CBA | sing | 1.53Å | 1.46Å | |
| CAZ | CAX | sing | 1.51Å | 1.45Å | |
| NAH | CAX | sing | 1.35Å | 1.35Å | |
| NAH | CAC | sing | 1.38Å | 1.39Å | |
| CAX | OAY | doub | 1.21Å | 1.22Å | |
| OAB | CAC | sing | 1.34Å | 1.24Å | Aromatic |
| OAB | NAA | sing | 1.21Å | 1.36Å | Aromatic |
| CAC | CAD | doub | 1.39Å | 1.36Å | Aromatic |
| NAA | CAE | doub | 1.31Å | 1.25Å | Aromatic |
| CAD | CAE | sing | 1.47Å | 1.39Å | Aromatic |
| CAD | CAG | sing | 1.48Å | 1.50Å | |
| CAE | CAF | sing | 1.48Å | 1.48Å | |
| CAM | CAG | doub | 1.39Å | 1.37Å | Aromatic |
| CAM | CAL | sing | 1.38Å | 1.38Å | Aromatic |
| CAG | CAI | sing | 1.39Å | 1.37Å | Aromatic |
| CAL | CAK | doub | 1.39Å | 1.36Å | Aromatic |
| CAF | CAN | doub | 1.39Å | 1.38Å | Aromatic |
| CAF | CAR | sing | 1.40Å | 1.35Å | Aromatic |
| OAS | CAR | sing | 1.36Å | 1.34Å | |
| CAN | CAO | sing | 1.38Å | 1.35Å | Aromatic |
| CAI | CAJ | doub | 1.38Å | 1.36Å | Aromatic |
| CAR | CAQ | doub | 1.39Å | 1.35Å | Aromatic |
| CAK | CAJ | sing | 1.39Å | 1.35Å | Aromatic |
| CAK | OAV | sing | 1.36Å | 1.35Å | |
| OAV | CAW | sing | 1.43Å | 1.32Å | |
| CAO | CL1 | sing | 1.74Å | 1.72Å | |
| CAO | CAP | doub | 1.39Å | 1.35Å | Aromatic |
| CAQ | CAP | sing | 1.39Å | 1.38Å | Aromatic |
| CAP | OAT | sing | 1.36Å | 1.34Å | |
| CAW | H1 | sing | 1.09Å | 1.10Å | |
| CAW | H2 | sing | 1.09Å | 1.10Å | |
| CAW | H3 | sing | 1.09Å | 1.10Å | |
| CAL | H4 | sing | 1.08Å | 1.08Å | |
| CAM | H5 | sing | 1.08Å | 1.08Å | |
| CAJ | H6 | sing | 1.08Å | 1.08Å | |
| CAI | H7 | sing | 1.08Å | 1.08Å | |
| NAH | H8 | sing | 0.97Å | 1.00Å | |
| CBB | H9 | sing | 1.09Å | 1.10Å | |
| CBB | H10 | sing | 1.09Å | 1.10Å | |
| CBB | H11 | sing | 1.09Å | 1.10Å | |
| CBC | H12 | sing | 1.09Å | 1.10Å | |
| CBC | H13 | sing | 1.09Å | 1.10Å | |
| CBC | H14 | sing | 1.09Å | 1.10Å | |
| CBA | H15 | sing | 1.09Å | 1.10Å | |
| CBA | H16 | sing | 1.09Å | 1.10Å | |
| CBA | H17 | sing | 1.09Å | 1.10Å | |
| CAN | H18 | sing | 1.08Å | 1.08Å | |
| OAT | H19 | sing | 0.97Å | 0.95Å | |
| CAQ | H20 | sing | 1.08Å | 1.08Å | |
| OAS | H21 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CBC | CAZ | CBB | 101.5° | 109.5° |
| CBC | CAZ | CBA | 116.8° | 109.5° |
| CBC | CAZ | CAX | 115.1° | 109.5° |
| CAZ | CBC | H12 | 109.5° | 109.5° |
| CAZ | CBC | H13 | 109.5° | 109.5° |
| CAZ | CBC | H14 | 109.5° | 109.5° |
| CBB | CAZ | CBA | 105.4° | 109.5° |
| CBB | CAZ | CAX | 93.9° | 109.5° |
| CAZ | CBB | H9 | 109.5° | 109.5° |
| CAZ | CBB | H10 | 109.5° | 109.5° |
| CAZ | CBB | H11 | 109.5° | 109.5° |
| CBA | CAZ | CAX | 118.7° | 109.4° |
| CAZ | CBA | H15 | 109.5° | 109.4° |
| CAZ | CBA | H16 | 109.5° | 109.5° |
| CAZ | CBA | H17 | 109.5° | 109.5° |
| CAZ | CAX | NAH | 124.7° | 120.0° |
| CAZ | CAX | OAY | 114.9° | 120.0° |
| CAX | NAH | CAC | 126.9° | 120.0° |
| NAH | CAX | OAY | 111.1° | 120.0° |
| CAX | NAH | H8 | 116.6° | 119.9° |
| NAH | CAC | OAB | 114.4° | 126.9° |
| NAH | CAC | CAD | 135.6° | 126.8° |
| CAC | NAH | H8 | 116.5° | 120.1° |
| CAC | OAB | NAA | 109.1° | 113.2° |
| OAB | CAC | CAD | 110.1° | 106.3° |
| OAB | NAA | CAE | 108.1° | 112.4° |
| CAC | CAD | CAE | 103.4° | 102.8° |
| CAC | CAD | CAG | 132.9° | 128.6° |
| NAA | CAE | CAD | 109.4° | 105.3° |
| NAA | CAE | CAF | 122.6° | 127.3° |
| CAE | CAD | CAG | 123.6° | 128.6° |
| CAD | CAE | CAF | 128.0° | 127.3° |
| CAD | CAG | CAM | 116.5° | 120.1° |
| CAD | CAG | CAI | 126.9° | 120.1° |
| CAE | CAF | CAN | 118.3° | 120.1° |
| CAE | CAF | CAR | 122.3° | 120.1° |
| CAG | CAM | CAL | 122.3° | 119.9° |
| CAM | CAG | CAI | 116.0° | 119.9° |
| CAG | CAM | H5 | 118.8° | 120.0° |
| CAM | CAL | CAK | 119.8° | 120.1° |
| CAM | CAL | H4 | 120.1° | 120.0° |
| CAL | CAM | H5 | 118.8° | 120.1° |
| CAG | CAI | CAJ | 121.8° | 119.9° |
| CAG | CAI | H7 | 119.1° | 120.1° |
| CAL | CAK | CAJ | 118.3° | 120.2° |
| CAL | CAK | OAV | 119.0° | 119.9° |
| CAK | CAL | H4 | 120.1° | 120.0° |
| CAN | CAF | CAR | 119.2° | 119.8° |
| CAF | CAN | CAO | 119.7° | 120.0° |
| CAF | CAN | H18 | 120.1° | 120.0° |
| CAF | CAR | OAS | 118.9° | 120.1° |
| CAF | CAR | CAQ | 120.6° | 119.8° |
| OAS | CAR | CAQ | 120.4° | 120.0° |
| CAR | OAS | H21 | 109.5° | 114.0° |
| CAN | CAO | CL1 | 121.1° | 119.9° |
| CAN | CAO | CAP | 121.1° | 120.2° |
| CAO | CAN | H18 | 120.1° | 120.0° |
| CAI | CAJ | CAK | 121.5° | 120.0° |
| CAI | CAJ | H6 | 119.3° | 120.0° |
| CAJ | CAI | H7 | 119.1° | 120.0° |
| CAR | CAQ | CAP | 120.2° | 120.0° |
| CAR | CAQ | H20 | 119.9° | 120.0° |
| CAJ | CAK | OAV | 122.6° | 119.9° |
| CAK | CAJ | H6 | 119.2° | 120.0° |
| CAK | OAV | CAW | 122.1° | 117.0° |
| OAV | CAW | H1 | 109.5° | 109.5° |
| OAV | CAW | H2 | 109.4° | 109.5° |
| OAV | CAW | H3 | 109.5° | 109.5° |
| CL1 | CAO | CAP | 117.7° | 119.9° |
| CAO | CAP | CAQ | 119.0° | 120.2° |
| CAO | CAP | OAT | 121.0° | 119.9° |
| CAQ | CAP | OAT | 120.0° | 119.9° |
| CAP | CAQ | H20 | 119.9° | 120.0° |
| CAP | OAT | H19 | 109.5° | 114.0° |
| H1 | CAW | H2 | 109.5° | 109.4° |
| H1 | CAW | H3 | 109.5° | 109.5° |
| H2 | CAW | H3 | 109.5° | 109.5° |
| H9 | CBB | H10 | 109.4° | 109.4° |
| H9 | CBB | H11 | 109.5° | 109.5° |
| H10 | CBB | H11 | 109.5° | 109.5° |
| H12 | CBC | H13 | 109.4° | 109.4° |
| H12 | CBC | H14 | 109.4° | 109.5° |
| H13 | CBC | H14 | 109.5° | 109.4° |
| H15 | CBA | H16 | 109.5° | 109.5° |
| H15 | CBA | H17 | 109.4° | 109.4° |
| H16 | CBA | H17 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CBC | CAZ | CBB | CBA | 122.3° | 120.0° |
| CBC | CAZ | CBB | CAX | 116.6° | 120.0° |
| CBC | CAZ | CBA | CAX | 144.9° | 120.0° |
| CBC | CAZ | CAX | NAH | 3.5° | 60.0° |
| CBC | CAZ | CAX | OAY | 146.9° | 120.0° |
| CBC | CAZ | CBB | H9 | 180.0° | 179.9° |
| CBC | CAZ | CBB | H10 | 60.0° | 60.0° |
| CBC | CAZ | CBB | H11 | 60.0° | 60.0° |
| CAZ | CBC | H12 | H13 | 120.0° | 120.0° |
| CAZ | CBC | H12 | H14 | 120.0° | 120.0° |
| CAZ | CBC | H13 | H14 | 120.0° | 120.0° |
| CBC | CAZ | CBA | H15 | 180.0° | 60.0° |
| CBC | CAZ | CBA | H16 | 60.0° | 60.0° |
| CBC | CAZ | CBA | H17 | 60.0° | 180.0° |
| CBB | CAZ | CBA | CAX | 103.3° | 120.0° |
| CBB | CAZ | CAX | NAH | 108.1° | 180.0° |
| CBB | CAZ | CAX | OAY | 108.5° | 0.0° |
| CAZ | CBB | H9 | H10 | 120.0° | 120.0° |
| CAZ | CBB | H9 | H11 | 120.0° | 120.0° |
| CAZ | CBB | H10 | H11 | 120.0° | 120.0° |
| CBB | CAZ | CBC | H12 | 180.0° | 60.0° |
| CBB | CAZ | CBC | H13 | 60.0° | 180.0° |
| CBB | CAZ | CBC | H14 | 60.0° | 60.0° |
| CBB | CAZ | CBA | H15 | 68.2° | 60.0° |
| CBB | CAZ | CBA | H16 | 51.8° | 180.0° |
| CBB | CAZ | CBA | H17 | 171.8° | 60.0° |
| CBA | CAZ | CAX | NAH | 142.0° | 60.0° |
| CBA | CAZ | CAX | OAY | 1.4° | 120.0° |
| CBA | CAZ | CBB | H9 | 57.7° | 60.0° |
| CBA | CAZ | CBB | H10 | 177.7° | 179.9° |
| CBA | CAZ | CBB | H11 | 62.3° | 60.0° |
| CBA | CAZ | CBC | H12 | 66.0° | 179.9° |
| CBA | CAZ | CBC | H13 | 54.0° | 60.0° |
| CBA | CAZ | CBC | H14 | 174.0° | 60.0° |
| CAZ | CBA | H15 | H16 | 120.0° | 120.0° |
| CAZ | CBA | H15 | H17 | 120.0° | 120.0° |
| CAZ | CBA | H16 | H17 | 120.0° | 120.1° |
| CAZ | CAX | NAH | OAY | 144.6° | 180.0° |
| CAZ | CAX | NAH | CAC | 173.3° | 180.0° |
| CAZ | CAX | NAH | H8 | 6.7° | 0.0° |
| CAX | CAZ | CBB | H9 | 63.4° | 60.0° |
| CAX | CAZ | CBB | H10 | 56.6° | 60.0° |
| CAX | CAZ | CBB | H11 | 176.6° | 180.0° |
| CAX | CAZ | CBC | H12 | 80.2° | 60.0° |
| CAX | CAZ | CBC | H13 | 159.8° | 60.0° |
| CAX | CAZ | CBC | H14 | 39.8° | 180.0° |
| CAX | CAZ | CBA | H15 | 35.1° | 180.0° |
| CAX | CAZ | CBA | H16 | 155.1° | 60.0° |
| CAX | CAZ | CBA | H17 | 84.9° | 60.0° |
| CAX | NAH | CAC | H8 | 180.0° | 180.0° |
| CAX | NAH | CAC | OAB | 172.6° | 0.1° |
| CAX | NAH | CAC | CAD | 8.6° | 180.0° |
| CAC | NAH | CAX | OAY | 42.2° | 0.0° |
| NAH | CAC | OAB | CAD | 179.1° | 179.9° |
| NAH | CAC | OAB | NAA | 178.4° | 180.0° |
| NAH | CAC | CAD | CAE | 177.6° | 179.9° |
| NAH | CAC | CAD | CAG | 2.2° | 0.2° |
| OAY | CAX | NAH | H8 | 137.9° | 180.0° |
| CAC | OAB | NAA | CAE | 0.2° | 0.1° |
| OAB | CAC | CAD | CAE | 1.2° | 0.0° |
| OAB | CAC | CAD | CAG | 176.6° | 179.7° |
| OAB | CAC | NAH | H8 | 7.4° | 179.9° |
| NAA | OAB | CAC | CAD | 0.7° | 0.0° |
| OAB | NAA | CAE | CAD | 0.9° | 0.0° |
| OAB | NAA | CAE | CAF | 178.5° | 179.7° |
| CAC | CAD | CAE | NAA | 1.3° | 0.0° |
| CAC | CAD | CAE | CAG | 176.0° | 179.7° |
| CAC | CAD | CAE | CAF | 178.0° | 179.8° |
| CAC | CAD | CAG | CAM | 57.5° | 64.6° |
| CAC | CAD | CAG | CAI | 131.9° | 115.1° |
| CAD | CAC | NAH | H8 | 171.4° | 0.0° |
| NAA | CAE | CAD | CAF | 179.3° | 179.8° |
| NAA | CAE | CAD | CAG | 177.2° | 179.7° |
| NAA | CAE | CAF | CAN | 121.3° | 179.6° |
| NAA | CAE | CAF | CAR | 53.8° | 0.5° |
| CAE | CAD | CAG | CAM | 117.1° | 115.0° |
| CAE | CAD | CAG | CAI | 53.5° | 65.3° |
| CAD | CAE | CAF | CAN | 57.9° | 0.1° |
| CAD | CAE | CAF | CAR | 126.9° | 179.7° |
| CAG | CAD | CAE | CAF | 2.1° | 0.1° |
| CAD | CAG | CAM | CAI | 171.6° | 179.7° |
| CAD | CAG | CAM | CAL | 176.5° | 180.0° |
| CAD | CAG | CAI | CAJ | 176.2° | 179.8° |
| CAD | CAG | CAM | H5 | 3.5° | 0.0° |
| CAD | CAG | CAI | H7 | 3.8° | 0.3° |
| CAE | CAF | CAN | CAR | 175.3° | 179.8° |
| CAE | CAF | CAR | OAS | 2.4° | 0.1° |
| CAE | CAF | CAN | CAO | 178.4° | 180.0° |
| CAE | CAF | CAR | CAQ | 178.8° | 179.8° |
| CAE | CAF | CAN | H18 | 1.6° | 0.1° |
| CAG | CAM | CAL | H5 | 180.0° | 180.0° |
| CAG | CAM | CAL | CAK | 2.5° | 0.0° |
| CAM | CAG | CAI | CAJ | 5.6° | 0.6° |
| CAG | CAM | CAL | H4 | 177.5° | 180.0° |
| CAM | CAG | CAI | H7 | 174.5° | 180.0° |
| CAL | CAM | CAG | CAI | 4.8° | 0.3° |
| CAM | CAL | CAK | H4 | 180.0° | 180.0° |
| CAM | CAL | CAK | CAJ | 0.6° | 0.0° |
| CAM | CAL | CAK | OAV | 179.9° | 179.8° |
| CAG | CAI | CAJ | H7 | 180.0° | 179.5° |
| CAG | CAI | CAJ | CAK | 4.0° | 0.5° |
| CAI | CAG | CAM | H5 | 175.2° | 179.7° |
| CAG | CAI | CAJ | H6 | 176.0° | 179.5° |
| CAL | CAK | CAJ | CAI | 1.4° | 0.2° |
| CAL | CAK | CAJ | OAV | 179.3° | 179.8° |
| CAL | CAK | OAV | CAW | 172.3° | 0.2° |
| CAK | CAL | CAM | H5 | 177.5° | 180.0° |
| CAL | CAK | CAJ | H6 | 178.6° | 179.7° |
| CAN | CAF | CAR | OAS | 177.5° | 179.8° |
| CAF | CAN | CAO | H18 | 180.0° | 179.9° |
| CAN | CAF | CAR | CAQ | 3.6° | 0.4° |
| CAF | CAN | CAO | CL1 | 178.3° | 180.0° |
| CAF | CAN | CAO | CAP | 0.4° | 0.1° |
| CAF | CAR | OAS | CAQ | 178.8° | 179.8° |
| CAR | CAF | CAN | CAO | 3.1° | 0.2° |
| CAF | CAR | CAQ | CAP | 1.6° | 0.5° |
| CAR | CAF | CAN | H18 | 177.0° | 179.8° |
| CAF | CAR | CAQ | H20 | 178.4° | 179.8° |
| CAF | CAR | OAS | H21 | 180.0° | 90.0° |
| OAS | CAR | CAQ | CAP | 179.6° | 179.7° |
| OAS | CAR | CAQ | H20 | 0.4° | 0.0° |
| CAN | CAO | CL1 | CAP | 178.0° | 180.0° |
| CAN | CAO | CAP | CAQ | 1.6° | 0.0° |
| CAN | CAO | CAP | OAT | 177.9° | 180.0° |
| CAI | CAJ | CAK | H6 | 180.0° | 180.0° |
| CAI | CAJ | CAK | OAV | 179.3° | 180.0° |
| CAR | CAQ | CAP | CAO | 1.0° | 0.3° |
| CAR | CAQ | CAP | H20 | 180.0° | 179.7° |
| CAR | CAQ | CAP | OAT | 178.4° | 179.7° |
| CAQ | CAR | OAS | H21 | 1.2° | 89.8° |
| CAJ | CAK | OAV | CAW | 8.4° | 180.0° |
| CAJ | CAK | CAL | H4 | 179.4° | 180.0° |
| CAK | CAJ | CAI | H7 | 176.0° | 180.0° |
| CAK | OAV | CAW | H1 | 180.0° | 179.9° |
| CAK | OAV | CAW | H2 | 60.0° | 60.0° |
| CAK | OAV | CAW | H3 | 60.0° | 60.0° |
| OAV | CAK | CAL | H4 | 0.1° | 0.3° |
| OAV | CAK | CAJ | H6 | 0.7° | 0.0° |
| OAV | CAW | H1 | H2 | 120.0° | 120.0° |
| OAV | CAW | H1 | H3 | 120.0° | 120.0° |
| OAV | CAW | H2 | H3 | 120.0° | 120.0° |
| CL1 | CAO | CAP | CAQ | 176.4° | 180.0° |
| CL1 | CAO | CAP | OAT | 4.2° | 0.0° |
| CL1 | CAO | CAN | H18 | 1.7° | 0.0° |
| CAO | CAP | CAQ | OAT | 179.5° | 180.0° |
| CAP | CAO | CAN | H18 | 179.6° | 180.0° |
| CAO | CAP | OAT | H19 | 180.0° | 90.0° |
| CAO | CAP | CAQ | H20 | 179.0° | 180.0° |
| CAQ | CAP | OAT | H19 | 0.6° | 90.0° |
| OAT | CAP | CAQ | H20 | 1.6° | 0.0° |
| H1 | CAW | H2 | H3 | 120.0° | 120.0° |
| H4 | CAL | CAM | H5 | 2.5° | 0.0° |
| H6 | CAJ | CAI | H7 | 4.0° | 0.0° |
| H9 | CBB | H10 | H11 | 120.0° | 120.0° |
| H12 | CBC | H13 | H14 | 120.0° | 120.0° |
| H15 | CBA | H16 | H17 | 120.0° | 120.0° |
