090
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OAU | CAO | doub | 1.23Å | 1.22Å | |
| CAO | CAP | sing | 1.47Å | 1.51Å | |
| CAO | NAN | sing | 1.41Å | 1.33Å | |
| CAP | CAQ | sing | 1.38Å | 1.39Å | Aromatic |
| CAP | CAV | doub | 1.38Å | 1.40Å | Aromatic |
| CAQ | NAR | doub | 1.35Å | 1.35Å | Aromatic |
| CAQ | HAQ | sing | 1.09Å | 1.10Å | |
| NAR | CAX | sing | 1.35Å | 1.35Å | Aromatic |
| CAX | CAW | doub | 1.39Å | 1.39Å | Aromatic |
| CAX | HAX | sing | 1.08Å | 1.10Å | |
| CAW | CAV | sing | 1.39Å | 1.38Å | Aromatic |
| CAW | HAW | sing | 1.08Å | 1.10Å | |
| CAV | HAV | sing | 1.09Å | 1.10Å | |
| NAN | CAM | sing | 1.40Å | 1.35Å | |
| NAN | HAN | sing | 1.03Å | 1.02Å | |
| CAM | NAL | sing | 1.35Å | 1.37Å | Aromatic |
| CAM | NAG | doub | 1.47Å | 1.40Å | Aromatic |
| NAL | CAK | doub | 1.35Å | 1.37Å | Aromatic |
| CAK | CAJ | sing | 1.39Å | 1.39Å | Aromatic |
| CAK | CAE | sing | 1.42Å | 1.41Å | Aromatic |
| CAJ | OAT | sing | 1.37Å | 1.36Å | |
| CAJ | CAI | doub | 1.40Å | 1.40Å | Aromatic |
| OAT | CAZ | sing | 1.42Å | 1.44Å | |
| CAZ | HAZ1 | sing | 1.09Å | 1.11Å | |
| CAZ | HAZ2 | sing | 1.09Å | 1.11Å | |
| CAZ | HAZ3 | sing | 1.09Å | 1.11Å | |
| CAE | CAF | doub | 1.42Å | 1.40Å | Aromatic |
| CAE | CAD | sing | 1.41Å | 1.41Å | Aromatic |
| CAF | NAG | sing | 1.32Å | 1.38Å | Aromatic |
| CAF | NAA | sing | 1.39Å | 1.33Å | Aromatic |
| NAG | CAH | sing | 1.38Å | 1.46Å | Aromatic |
| CAH | CAB | doub | 1.39Å | 1.53Å | Aromatic |
| CAH | HAH | sing | 1.08Å | 1.10Å | |
| CAB | NAA | sing | 1.39Å | 1.45Å | Aromatic |
| CAB | HAB | sing | 1.08Å | 1.10Å | |
| NAA | HAA | sing | 1.01Å | 1.02Å | |
| CAD | CAC | doub | 1.39Å | 1.40Å | Aromatic |
| CAD | HAD | sing | 1.09Å | 1.10Å | |
| CAC | CAI | sing | 1.39Å | 1.42Å | Aromatic |
| CAC | HAC | sing | 1.09Å | 1.10Å | |
| CAI | OAS | sing | 1.36Å | 1.38Å | |
| OAS | CAY | sing | 1.43Å | 1.44Å | |
| CAY | HAY1 | sing | 1.09Å | 1.11Å | |
| CAY | HAY2 | sing | 1.09Å | 1.12Å | |
| CAY | HAY3 | sing | 1.09Å | 1.11Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OAU | CAO | CAP | 119.9° | 121.0° |
| OAU | CAO | NAN | 121.9° | 124.0° |
| CAP | CAO | NAN | 117.4° | 115.1° |
| CAO | CAP | CAQ | 120.2° | 120.3° |
| CAO | CAP | CAV | 120.4° | 120.3° |
| CAO | NAN | CAM | 122.7° | 128.4° |
| CAO | NAN | HAN | 118.6° | 115.8° |
| CAQ | CAP | CAV | 119.2° | 119.4° |
| CAP | CAQ | NAR | 119.5° | 123.3° |
| CAP | CAQ | HAQ | 120.2° | 122.1° |
| CAP | CAV | CAW | 120.2° | 119.0° |
| CAP | CAV | HAV | 119.9° | 121.4° |
| NAR | CAQ | HAQ | 120.3° | 114.6° |
| CAQ | NAR | CAX | 121.6° | 116.3° |
| NAR | CAX | CAW | 121.6° | 124.1° |
| NAR | CAX | HAX | 119.2° | 115.2° |
| CAW | CAX | HAX | 119.2° | 120.7° |
| CAX | CAW | CAV | 117.9° | 117.9° |
| CAX | CAW | HAW | 121.0° | 121.1° |
| CAV | CAW | HAW | 121.1° | 121.0° |
| CAW | CAV | HAV | 119.9° | 119.6° |
| CAM | NAN | HAN | 118.7° | 115.8° |
| NAN | CAM | NAL | 122.1° | 120.0° |
| NAN | CAM | NAG | 119.0° | 121.2° |
| NAL | CAM | NAG | 118.8° | 118.9° |
| CAM | NAL | CAK | 122.1° | 118.8° |
| CAM | NAG | CAF | 119.9° | 122.1° |
| CAM | NAG | CAH | 127.2° | 129.4° |
| NAL | CAK | CAJ | 119.6° | 118.9° |
| NAL | CAK | CAE | 120.2° | 124.3° |
| CAJ | CAK | CAE | 120.2° | 116.8° |
| CAK | CAJ | OAT | 119.3° | 119.5° |
| CAK | CAJ | CAI | 120.4° | 122.0° |
| CAK | CAE | CAF | 117.9° | 116.7° |
| CAK | CAE | CAD | 119.9° | 121.7° |
| OAT | CAJ | CAI | 120.2° | 118.5° |
| CAJ | OAT | CAZ | 117.0° | 116.7° |
| CAJ | CAI | CAC | 119.3° | 120.4° |
| CAJ | CAI | OAS | 120.0° | 120.4° |
| OAT | CAZ | HAZ1 | 117.0° | 109.6° |
| OAT | CAZ | HAZ2 | 109.5° | 109.5° |
| OAT | CAZ | HAZ3 | 109.5° | 109.0° |
| HAZ1 | CAZ | HAZ2 | 109.5° | 110.1° |
| HAZ1 | CAZ | HAZ3 | 109.5° | 109.4° |
| HAZ2 | CAZ | HAZ3 | 100.6° | 109.4° |
| CAF | CAE | CAD | 122.2° | 121.6° |
| CAE | CAF | NAG | 121.1° | 119.2° |
| CAE | CAF | NAA | 129.0° | 130.6° |
| CAE | CAD | CAC | 119.8° | 119.5° |
| CAE | CAD | HAD | 120.1° | 121.4° |
| NAG | CAF | NAA | 109.9° | 110.2° |
| CAF | NAG | CAH | 112.9° | 108.5° |
| CAF | NAA | CAB | 109.6° | 106.1° |
| CAF | NAA | HAA | 125.2° | 127.3° |
| NAG | CAH | CAB | 100.0° | 107.7° |
| NAG | CAH | HAH | 130.0° | 123.9° |
| CAB | CAH | HAH | 130.0° | 128.5° |
| CAH | CAB | NAA | 107.6° | 107.5° |
| CAH | CAB | HAB | 126.2° | 132.1° |
| NAA | CAB | HAB | 126.2° | 120.4° |
| CAB | NAA | HAA | 125.3° | 126.6° |
| CAC | CAD | HAD | 120.1° | 119.1° |
| CAD | CAC | CAI | 120.3° | 119.6° |
| CAD | CAC | HAC | 119.9° | 119.8° |
| CAI | CAC | HAC | 119.8° | 120.6° |
| CAC | CAI | OAS | 120.7° | 119.2° |
| CAI | OAS | CAY | 120.3° | 117.0° |
| OAS | CAY | HAY1 | 120.3° | 109.5° |
| OAS | CAY | HAY2 | 108.3° | 109.5° |
| OAS | CAY | HAY3 | 108.4° | 109.0° |
| HAY1 | CAY | HAY2 | 108.4° | 110.0° |
| HAY1 | CAY | HAY3 | 108.3° | 109.4° |
| HAY2 | CAY | HAY3 | 101.6° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OAU | CAO | CAP | NAN | 170.2° | 178.2° |
| OAU | CAO | CAP | CAQ | 179.4° | 151.2° |
| OAU | CAO | CAP | CAV | 4.5° | 28.8° |
| OAU | CAO | NAN | CAM | 5.3° | 0.0° |
| OAU | CAO | NAN | HAN | 174.7° | 180.0° |
| CAO | CAP | CAQ | CAV | 175.0° | 180.0° |
| CAO | CAP | CAQ | NAR | 177.6° | 180.0° |
| CAO | CAP | CAQ | HAQ | 2.4° | 0.1° |
| CAO | CAP | CAV | CAW | 177.4° | 180.0° |
| CAO | CAP | CAV | HAV | 2.6° | 0.1° |
| CAP | CAO | NAN | CAM | 175.2° | 178.2° |
| CAP | CAO | NAN | HAN | 4.8° | 1.8° |
| NAN | CAO | CAP | CAQ | 9.3° | 27.0° |
| NAN | CAO | CAP | CAV | 165.7° | 153.0° |
| CAO | NAN | CAM | HAN | 180.0° | 180.0° |
| CAO | NAN | CAM | NAL | 1.1° | 0.1° |
| CAO | NAN | CAM | NAG | 177.8° | 180.0° |
| CAP | CAQ | NAR | HAQ | 180.0° | 179.9° |
| CAP | CAQ | NAR | CAX | 1.2° | 0.1° |
| CAQ | CAP | CAV | CAW | 2.3° | 0.1° |
| CAQ | CAP | CAV | HAV | 177.6° | 180.0° |
| CAV | CAP | CAQ | NAR | 2.6° | 0.1° |
| CAV | CAP | CAQ | HAQ | 177.4° | 180.0° |
| CAP | CAV | CAW | CAX | 0.7° | 0.1° |
| CAP | CAV | CAW | HAV | 180.0° | 179.9° |
| CAP | CAV | CAW | HAW | 179.3° | 180.0° |
| CAQ | NAR | CAX | CAW | 0.5° | 0.0° |
| CAQ | NAR | CAX | HAX | 179.5° | 179.9° |
| HAQ | CAQ | NAR | CAX | 178.8° | 180.0° |
| NAR | CAX | CAW | HAX | 180.0° | 180.0° |
| NAR | CAX | CAW | CAV | 0.7° | 0.0° |
| NAR | CAX | CAW | HAW | 179.3° | 180.0° |
| CAX | CAW | CAV | HAW | 180.0° | 179.9° |
| CAX | CAW | CAV | HAV | 179.2° | 179.9° |
| HAX | CAX | CAW | CAV | 179.3° | 179.9° |
| HAX | CAX | CAW | HAW | 0.7° | 0.0° |
| HAW | CAW | CAV | HAV | 0.8° | 0.1° |
| NAN | CAM | NAL | NAG | 176.7° | 179.9° |
| NAN | CAM | NAL | CAK | 177.7° | 180.0° |
| NAN | CAM | NAG | CAF | 177.4° | 180.0° |
| NAN | CAM | NAG | CAH | 1.7° | 0.1° |
| HAN | NAN | CAM | NAL | 178.8° | 180.0° |
| HAN | NAN | CAM | NAG | 2.2° | 0.1° |
| CAM | NAL | CAK | CAJ | 179.7° | 180.0° |
| CAM | NAL | CAK | CAE | 0.3° | 0.1° |
| NAL | CAM | NAG | CAF | 0.6° | 0.1° |
| NAL | CAM | NAG | CAH | 178.5° | 180.0° |
| NAG | CAM | NAL | CAK | 1.0° | 0.1° |
| CAM | NAG | CAF | CAE | 0.5° | 0.0° |
| CAM | NAG | CAF | CAH | 179.2° | 180.0° |
| CAM | NAG | CAF | NAA | 179.9° | 180.0° |
| CAM | NAG | CAH | CAB | 179.9° | 180.0° |
| CAM | NAG | CAH | HAH | 0.1° | 0.0° |
| NAL | CAK | CAJ | CAE | 180.0° | 179.9° |
| NAL | CAK | CAJ | OAT | 2.3° | 0.1° |
| NAL | CAK | CAJ | CAI | 178.9° | 179.9° |
| NAL | CAK | CAE | CAF | 0.8° | 0.1° |
| NAL | CAK | CAE | CAD | 179.5° | 180.0° |
| CAK | CAJ | OAT | CAI | 176.6° | 179.9° |
| CAK | CAJ | OAT | CAZ | 83.9° | 90.0° |
| CAJ | CAK | CAE | CAF | 179.2° | 180.0° |
| CAJ | CAK | CAE | CAD | 0.5° | 0.1° |
| CAK | CAJ | CAI | CAC | 1.6° | 0.0° |
| CAK | CAJ | CAI | OAS | 179.0° | 180.0° |
| CAE | CAK | CAJ | OAT | 177.7° | 180.0° |
| CAE | CAK | CAJ | CAI | 1.1° | 0.0° |
| CAK | CAE | CAF | CAD | 179.7° | 180.0° |
| CAK | CAE | CAF | NAG | 1.2° | 0.0° |
| CAK | CAE | CAF | NAA | 179.6° | 179.9° |
| CAK | CAE | CAD | CAC | 0.3° | 0.1° |
| CAK | CAE | CAD | HAD | 179.7° | 179.9° |
| CAJ | OAT | CAZ | HAZ1 | 180.0° | 103.2° |
| CAJ | OAT | CAZ | HAZ2 | 54.7° | 136.0° |
| CAJ | OAT | CAZ | HAZ3 | 54.7° | 16.4° |
| OAT | CAJ | CAI | CAC | 178.2° | 179.9° |
| OAT | CAJ | CAI | OAS | 2.4° | 0.1° |
| CAI | CAJ | OAT | CAZ | 92.7° | 89.9° |
| CAJ | CAI | CAC | CAD | 1.4° | 0.0° |
| CAJ | CAI | CAC | OAS | 179.4° | 180.0° |
| CAJ | CAI | CAC | HAC | 178.6° | 180.0° |
| CAJ | CAI | OAS | CAY | 177.3° | 90.0° |
| OAT | CAZ | HAZ1 | HAZ2 | 125.3° | 120.5° |
| OAT | CAZ | HAZ1 | HAZ3 | 125.3° | 119.4° |
| OAT | CAZ | HAZ2 | HAZ3 | 115.3° | 119.3° |
| HAZ1 | CAZ | HAZ2 | HAZ3 | 115.2° | 120.2° |
| CAE | CAF | NAG | NAA | 179.4° | 180.0° |
| CAE | CAF | NAG | CAH | 179.7° | 180.0° |
| CAE | CAF | NAA | CAB | 179.8° | 180.0° |
| CAE | CAF | NAA | HAA | 0.2° | 0.0° |
| CAF | CAE | CAD | CAC | 179.4° | 179.9° |
| CAF | CAE | CAD | HAD | 0.6° | 0.1° |
| CAD | CAE | CAF | NAG | 179.1° | 180.0° |
| CAD | CAE | CAF | NAA | 0.1° | 0.0° |
| CAE | CAD | CAC | HAD | 180.0° | 179.9° |
| CAE | CAD | CAC | CAI | 0.8° | 0.1° |
| CAE | CAD | CAC | HAC | 179.2° | 180.0° |
| CAF | NAG | CAH | CAB | 0.8° | 0.0° |
| CAF | NAG | CAH | HAH | 179.2° | 180.0° |
| NAG | CAF | NAA | CAB | 0.5° | 0.0° |
| NAG | CAF | NAA | HAA | 179.5° | 179.9° |
| NAA | CAF | NAG | CAH | 0.9° | 0.0° |
| CAF | NAA | CAB | CAH | 0.0° | 0.1° |
| CAF | NAA | CAB | HAA | 180.0° | 180.0° |
| CAF | NAA | CAB | HAB | 180.0° | 180.0° |
| NAG | CAH | CAB | HAH | 180.0° | 180.0° |
| NAG | CAH | CAB | NAA | 0.5° | 0.1° |
| NAG | CAH | CAB | HAB | 179.6° | 179.9° |
| CAH | CAB | NAA | HAB | 180.0° | 179.9° |
| CAH | CAB | NAA | HAA | 180.0° | 179.9° |
| HAH | CAH | CAB | NAA | 179.6° | 179.9° |
| HAH | CAH | CAB | HAB | 0.4° | 0.1° |
| HAB | CAB | NAA | HAA | 0.0° | 0.0° |
| CAD | CAC | CAI | HAC | 180.0° | 179.9° |
| CAD | CAC | CAI | OAS | 179.1° | 180.0° |
| HAD | CAD | CAC | CAI | 179.2° | 179.9° |
| HAD | CAD | CAC | HAC | 0.8° | 0.1° |
| CAC | CAI | OAS | CAY | 3.2° | 90.0° |
| HAC | CAC | CAI | OAS | 0.9° | 0.0° |
| CAI | OAS | CAY | HAY1 | 180.0° | 117.0° |
| CAI | OAS | CAY | HAY2 | 54.7° | 3.7° |
| CAI | OAS | CAY | HAY3 | 54.7° | 123.4° |
| OAS | CAY | HAY1 | HAY2 | 125.3° | 120.4° |
| OAS | CAY | HAY1 | HAY3 | 125.3° | 119.4° |
| OAS | CAY | HAY2 | HAY3 | 114.0° | 119.4° |
| HAY1 | CAY | HAY2 | HAY3 | 114.0° | 120.2° |
