2OZ
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
SAU | CAI | doub | 1.71Å | 1.67Å | |
OAT | CAP | sing | 1.43Å | 1.39Å | |
CAF | CAA | doub | 1.38Å | 1.36Å | Aromatic |
CAF | CAE | sing | 1.39Å | 1.49Å | Aromatic |
CAP | CAK | sing | 1.53Å | 1.48Å | |
FAG | CAE | sing | 1.35Å | 1.33Å | |
OAQ | CAL | sing | 1.43Å | 1.38Å | |
CAK | CAL | sing | 1.53Å | 1.48Å | |
CAK | NAJ | sing | 1.47Å | 1.42Å | |
CAA | CAB | sing | 1.39Å | 1.50Å | Aromatic |
CAE | CAD | doub | 1.39Å | 1.37Å | Aromatic |
CAI | NAJ | sing | 1.35Å | 1.44Å | |
CAI | NAH | sing | 1.35Å | 1.44Å | |
CAL | CAM | sing | 1.53Å | 1.47Å | |
NAJ | CAO | sing | 1.47Å | 1.42Å | |
CAB | NAH | sing | 1.40Å | 1.44Å | |
CAB | CAC | doub | 1.39Å | 1.37Å | Aromatic |
CAD | CAC | sing | 1.38Å | 1.49Å | Aromatic |
CAM | OAR | sing | 1.43Å | 1.37Å | |
CAM | CAN | sing | 1.53Å | 1.49Å | |
CAO | CAN | sing | 1.53Å | 1.50Å | |
OAS | CAN | sing | 1.43Å | 1.38Å | |
CAA | H1 | sing | 1.08Å | 1.08Å | |
CAF | H2 | sing | 1.08Å | 1.08Å | |
CAD | H3 | sing | 1.08Å | 1.08Å | |
CAC | H4 | sing | 1.08Å | 1.08Å | |
NAH | H5 | sing | 0.97Å | 1.00Å | |
CAO | H6 | sing | 1.09Å | 1.10Å | |
CAO | H7 | sing | 1.09Å | 1.10Å | |
CAN | H8 | sing | 1.09Å | 1.10Å | |
OAS | H9 | sing | 0.97Å | 0.95Å | |
CAM | H10 | sing | 1.09Å | 1.10Å | |
OAR | H11 | sing | 0.97Å | 0.95Å | |
CAL | H12 | sing | 1.09Å | 1.10Å | |
OAQ | H13 | sing | 0.97Å | 0.95Å | |
CAK | H14 | sing | 1.09Å | 1.10Å | |
CAP | H15 | sing | 1.09Å | 1.10Å | |
CAP | H16 | sing | 1.09Å | 1.10Å | |
OAT | H17 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
SAU | CAI | NAJ | 121.3° | 120.0° |
SAU | CAI | NAH | 122.4° | 120.0° |
OAT | CAP | CAK | 118.7° | 109.4° |
OAT | CAP | H15 | 107.1° | 109.5° |
OAT | CAP | H16 | 107.1° | 109.5° |
CAP | OAT | H17 | 109.5° | 114.0° |
CAA | CAF | CAE | 119.6° | 120.0° |
CAF | CAA | CAB | 120.9° | 120.0° |
CAF | CAA | H1 | 119.5° | 120.0° |
CAA | CAF | H2 | 120.2° | 120.0° |
CAF | CAE | FAG | 119.7° | 119.9° |
CAF | CAE | CAD | 120.0° | 120.1° |
CAE | CAF | H2 | 120.2° | 120.0° |
CAP | CAK | CAL | 108.9° | 109.6° |
CAP | CAK | NAJ | 116.5° | 109.7° |
CAP | CAK | H14 | 103.1° | 109.7° |
CAK | CAP | H15 | 107.1° | 109.5° |
CAK | CAP | H16 | 107.1° | 109.4° |
FAG | CAE | CAD | 120.3° | 120.0° |
OAQ | CAL | CAK | 109.6° | 109.4° |
OAQ | CAL | CAM | 107.5° | 109.6° |
OAQ | CAL | H12 | 110.8° | 109.5° |
CAL | OAQ | H13 | 109.5° | 114.0° |
CAL | CAK | NAJ | 119.0° | 109.0° |
CAK | CAL | CAM | 110.3° | 109.4° |
CAK | CAL | H12 | 109.3° | 109.5° |
CAL | CAK | H14 | 103.2° | 109.6° |
CAK | NAJ | CAI | 121.8° | 120.6° |
CAK | NAJ | CAO | 122.5° | 118.7° |
NAJ | CAK | H14 | 103.7° | 109.3° |
CAA | CAB | NAH | 118.8° | 120.1° |
CAA | CAB | CAC | 119.1° | 119.9° |
CAB | CAA | H1 | 119.6° | 120.0° |
CAE | CAD | CAC | 120.0° | 120.1° |
CAE | CAD | H3 | 120.0° | 120.0° |
NAJ | CAI | NAH | 116.3° | 120.0° |
CAI | NAJ | CAO | 115.7° | 120.6° |
CAI | NAH | CAB | 127.1° | 120.0° |
CAI | NAH | H5 | 116.5° | 120.0° |
CAL | CAM | OAR | 106.0° | 109.5° |
CAL | CAM | CAN | 114.1° | 109.5° |
CAL | CAM | H10 | 108.3° | 109.5° |
CAM | CAL | H12 | 109.3° | 109.4° |
NAJ | CAO | CAN | 115.4° | 108.8° |
NAJ | CAO | H6 | 108.0° | 109.6° |
NAJ | CAO | H7 | 108.0° | 109.6° |
NAH | CAB | CAC | 122.1° | 120.0° |
CAB | NAH | H5 | 116.4° | 120.0° |
CAB | CAC | CAD | 120.3° | 119.9° |
CAB | CAC | H4 | 119.9° | 120.0° |
CAC | CAD | H3 | 120.0° | 120.0° |
CAD | CAC | H4 | 119.9° | 120.0° |
OAR | CAM | CAN | 110.6° | 109.4° |
OAR | CAM | H10 | 109.8° | 109.5° |
CAM | OAR | H11 | 109.5° | 114.0° |
CAM | CAN | CAO | 114.8° | 109.3° |
CAM | CAN | OAS | 109.9° | 109.6° |
CAM | CAN | H8 | 107.1° | 109.5° |
CAN | CAM | H10 | 108.0° | 109.5° |
CAO | CAN | OAS | 109.1° | 109.5° |
CAN | CAO | H6 | 108.0° | 109.6° |
CAN | CAO | H7 | 108.0° | 109.6° |
CAO | CAN | H8 | 107.1° | 109.5° |
OAS | CAN | H8 | 108.6° | 109.5° |
CAN | OAS | H9 | 109.5° | 114.0° |
H6 | CAO | H7 | 109.4° | 109.7° |
H15 | CAP | H16 | 109.5° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
SAU | CAI | NAJ | CAK | 1.0° | 7.5° |
SAU | CAI | NAJ | NAH | 179.8° | 180.0° |
SAU | CAI | NAJ | CAO | 178.9° | 172.2° |
SAU | CAI | NAH | CAB | 0.8° | 5.6° |
SAU | CAI | NAH | H5 | 179.2° | 174.4° |
OAT | CAP | CAK | H15 | 121.3° | 120.0° |
OAT | CAP | CAK | H16 | 121.3° | 120.0° |
OAT | CAP | CAK | CAL | 44.3° | 169.5° |
OAT | CAP | CAK | NAJ | 177.7° | 70.9° |
OAT | CAP | CAK | H14 | 64.9° | 49.1° |
OAT | CAP | H15 | H16 | 115.8° | 120.0° |
CAA | CAF | CAE | H2 | 180.0° | 180.0° |
CAA | CAF | CAE | FAG | 179.7° | 179.8° |
CAF | CAA | CAB | H1 | 180.0° | 179.7° |
CAA | CAF | CAE | CAD | 0.0° | 0.0° |
CAF | CAA | CAB | NAH | 178.9° | 179.7° |
CAF | CAA | CAB | CAC | 0.9° | 0.3° |
CAF | CAE | FAG | CAD | 179.7° | 179.8° |
CAE | CAF | CAA | CAB | 0.4° | 0.0° |
CAF | CAE | CAD | CAC | 0.0° | 0.2° |
CAE | CAF | CAA | H1 | 179.6° | 179.7° |
CAF | CAE | CAD | H3 | 180.0° | 180.0° |
CAP | CAK | CAL | OAQ | 19.7° | 54.5° |
CAP | CAK | CAL | NAJ | 136.8° | 120.0° |
CAP | CAK | CAL | H14 | 109.1° | 120.4° |
CAP | CAK | NAJ | H14 | 112.5° | 120.3° |
CAP | CAK | NAJ | CAI | 70.7° | 6.4° |
CAP | CAK | CAL | CAM | 98.4° | 174.5° |
CAP | CAK | NAJ | CAO | 111.5° | 173.3° |
CAP | CAK | CAL | H12 | 141.3° | 65.6° |
CAK | CAP | H15 | H16 | 115.9° | 120.0° |
CAK | CAP | OAT | H17 | 180.0° | 179.5° |
FAG | CAE | CAD | CAC | 179.7° | 180.0° |
FAG | CAE | CAF | H2 | 0.3° | 0.3° |
FAG | CAE | CAD | H3 | 0.3° | 0.2° |
OAQ | CAL | CAK | CAM | 118.2° | 120.0° |
OAQ | CAL | CAK | H12 | 121.6° | 120.0° |
OAQ | CAL | CAK | NAJ | 156.5° | 65.6° |
OAQ | CAL | CAM | H12 | 120.3° | 120.1° |
OAQ | CAL | CAM | OAR | 49.1° | 61.3° |
OAQ | CAL | CAM | CAN | 171.1° | 58.6° |
OAQ | CAL | CAM | H10 | 68.6° | 178.7° |
OAQ | CAL | CAK | H14 | 89.4° | 174.9° |
CAL | CAK | NAJ | H14 | 113.8° | 119.8° |
CAL | CAK | NAJ | CAI | 155.6° | 126.4° |
CAK | CAL | CAM | H12 | 120.2° | 120.0° |
CAL | CAK | NAJ | CAO | 22.2° | 53.3° |
CAK | CAL | CAM | OAR | 70.3° | 178.7° |
CAK | CAL | CAM | CAN | 51.6° | 61.3° |
CAK | CAL | CAM | H10 | 171.9° | 58.7° |
CAK | CAL | OAQ | H13 | 180.0° | 179.9° |
CAL | CAK | CAP | H15 | 165.6° | 49.5° |
CAL | CAK | CAP | H16 | 77.0° | 70.6° |
CAK | NAJ | CAI | CAO | 177.9° | 179.7° |
CAK | NAJ | CAI | NAH | 178.8° | 172.5° |
NAJ | CAK | CAL | CAM | 38.4° | 54.5° |
CAK | NAJ | CAO | CAN | 16.9° | 53.3° |
CAK | NAJ | CAO | H6 | 137.8° | 66.5° |
CAK | NAJ | CAO | H7 | 104.0° | 173.2° |
NAJ | CAK | CAL | H12 | 81.8° | 174.4° |
NAJ | CAK | CAP | H15 | 56.4° | 169.1° |
NAJ | CAK | CAP | H16 | 61.0° | 49.0° |
CAA | CAB | NAH | CAI | 87.2° | 40.8° |
CAA | CAB | NAH | CAC | 177.9° | 180.0° |
CAA | CAB | CAC | CAD | 0.9° | 0.5° |
CAB | CAA | CAF | H2 | 179.6° | 180.0° |
CAA | CAB | CAC | H4 | 179.1° | 180.0° |
CAA | CAB | NAH | H5 | 92.8° | 139.2° |
CAE | CAD | CAC | CAB | 0.5° | 0.5° |
CAE | CAD | CAC | H3 | 180.0° | 179.8° |
CAD | CAE | CAF | H2 | 180.0° | 179.9° |
CAE | CAD | CAC | H4 | 179.5° | 179.9° |
NAJ | CAI | NAH | CAB | 179.0° | 174.4° |
CAI | NAJ | CAO | CAN | 161.0° | 126.4° |
NAJ | CAI | NAH | H5 | 0.9° | 5.6° |
CAI | NAJ | CAO | H6 | 40.1° | 113.8° |
CAI | NAJ | CAO | H7 | 78.1° | 6.5° |
CAI | NAJ | CAK | H14 | 41.8° | 113.8° |
NAH | CAI | NAJ | CAO | 0.9° | 7.8° |
CAI | NAH | CAB | H5 | 180.0° | 180.0° |
CAI | NAH | CAB | CAC | 94.9° | 139.2° |
CAL | CAM | OAR | CAN | 124.1° | 120.0° |
CAL | CAM | OAR | H10 | 116.8° | 120.0° |
CAL | CAM | CAN | H10 | 120.4° | 120.0° |
CAL | CAM | CAN | CAO | 49.0° | 61.4° |
CAL | CAM | CAN | OAS | 74.4° | 178.6° |
CAL | CAM | CAN | H8 | 167.8° | 58.6° |
CAL | CAM | OAR | H11 | 180.0° | 180.0° |
CAM | CAL | OAQ | H13 | 60.1° | 59.9° |
CAM | CAL | CAK | H14 | 152.5° | 65.1° |
NAJ | CAO | CAN | CAM | 29.7° | 54.6° |
NAJ | CAO | CAN | H6 | 120.9° | 119.8° |
NAJ | CAO | CAN | H7 | 120.9° | 119.8° |
NAJ | CAO | CAN | OAS | 94.1° | 174.6° |
NAJ | CAO | H6 | H7 | 117.3° | 120.3° |
NAJ | CAO | CAN | H8 | 148.5° | 65.3° |
CAO | NAJ | CAK | H14 | 136.0° | 66.5° |
NAH | CAB | CAC | CAD | 178.8° | 179.4° |
NAH | CAB | CAA | H1 | 1.1° | 0.0° |
NAH | CAB | CAC | H4 | 1.3° | 0.0° |
CAB | CAC | CAD | H4 | 180.0° | 179.4° |
CAC | CAB | CAA | H1 | 179.1° | 180.0° |
CAB | CAC | CAD | H3 | 179.5° | 179.7° |
CAC | CAB | NAH | H5 | 85.1° | 40.8° |
OAR | CAM | CAN | H10 | 120.2° | 120.0° |
OAR | CAM | CAN | CAO | 70.4° | 178.6° |
OAR | CAM | CAN | OAS | 166.3° | 58.6° |
OAR | CAM | CAN | H8 | 48.4° | 61.4° |
OAR | CAM | CAL | H12 | 169.5° | 58.7° |
CAM | CAN | CAO | OAS | 123.8° | 120.0° |
CAM | CAN | CAO | H8 | 118.8° | 120.0° |
CAM | CAN | OAS | H8 | 116.9° | 120.1° |
CAM | CAN | CAO | H6 | 150.6° | 65.2° |
CAM | CAN | CAO | H7 | 91.2° | 174.4° |
CAM | CAN | OAS | H9 | 180.0° | 179.8° |
CAN | CAM | OAR | H11 | 55.9° | 59.9° |
CAN | CAM | CAL | H12 | 68.6° | 178.7° |
CAO | CAN | OAS | H8 | 116.5° | 120.1° |
CAN | CAO | H6 | H7 | 117.3° | 120.4° |
CAO | CAN | OAS | H9 | 53.4° | 60.0° |
CAO | CAN | CAM | H10 | 169.4° | 58.6° |
OAS | CAN | CAO | H6 | 26.8° | 54.8° |
OAS | CAN | CAO | H7 | 145.1° | 65.6° |
OAS | CAN | CAM | H10 | 46.1° | 61.3° |
H1 | CAA | CAF | H2 | 0.4° | 0.3° |
H3 | CAD | CAC | H4 | 0.4° | 0.3° |
H6 | CAO | CAN | H8 | 90.6° | 174.9° |
H7 | CAO | CAN | H8 | 27.6° | 54.5° |
H8 | CAN | OAS | H9 | 63.1° | 60.1° |
H8 | CAN | CAM | H10 | 71.8° | 178.6° |
H10 | CAM | OAR | H11 | 63.2° | 60.0° |
H10 | CAM | CAL | H12 | 51.7° | 61.3° |
H12 | CAL | OAQ | H13 | 59.3° | 60.1° |
H12 | CAL | CAK | H14 | 32.2° | 54.9° |
H14 | CAK | CAP | H15 | 56.4° | 70.9° |
H14 | CAK | CAP | H16 | 173.8° | 169.0° |
H15 | CAP | OAT | H17 | 58.7° | 59.5° |
H16 | CAP | OAT | H17 | 58.7° | 60.6° |