74W
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
OAC | CAZ | doub | 1.22Å | 1.24Å | |
CAZ | NAR | sing | 1.35Å | 1.36Å | |
CAZ | NBD | sing | 1.35Å | 1.40Å | |
NAR | CAY | sing | 1.35Å | 1.41Å | |
CAY | OAB | doub | 1.22Å | 1.23Å | |
CAY | CAU | sing | 1.42Å | 1.40Å | |
CAU | CAA | sing | 1.51Å | 1.57Å | |
CAU | CAM | doub | 1.35Å | 1.40Å | |
CAM | NBD | sing | 1.37Å | 1.44Å | |
NBD | CBC | sing | 1.47Å | 1.45Å | |
CBC | OAS | sing | 1.44Å | 1.45Å | |
CBC | CAO | sing | 1.54Å | 1.51Å | |
OAS | CBB | sing | 1.44Å | 1.43Å | |
CAO | CBA | sing | 1.54Å | 1.52Å | |
CBA | OAD | sing | 1.43Å | 1.46Å | |
CBA | CBB | sing | 1.54Å | 1.55Å | |
CBB | CAN | sing | 1.53Å | 1.57Å | |
CAN | NAP | sing | 1.46Å | 1.48Å | |
NAP | CAT | sing | 1.35Å | 1.34Å | |
CAT | SAE | doub | 1.71Å | 1.74Å | |
CAT | NAQ | sing | 1.35Å | 1.35Å | |
NAQ | CAV | sing | 1.40Å | 1.34Å | |
CAV | CAL | sing | 1.39Å | 1.40Å | Aromatic |
CAV | CAJ | doub | 1.39Å | 1.39Å | Aromatic |
CAL | CAX | doub | 1.38Å | 1.40Å | Aromatic |
CAJ | CAK | sing | 1.38Å | 1.39Å | Aromatic |
CAK | CAW | doub | 1.38Å | 1.39Å | Aromatic |
CAW | CL | sing | 1.74Å | 1.73Å | |
CAW | CAX | sing | 1.38Å | 1.39Å | Aromatic |
CAX | CBE | sing | 1.51Å | 1.54Å | |
CBE | FAG | sing | 1.40Å | 1.34Å | |
CBE | FAH | sing | 1.40Å | 1.34Å | |
CBE | FAF | sing | 1.40Å | 1.34Å | |
NAR | HAR | sing | 0.97Å | 1.00Å | |
CAA | HAA1 | sing | 1.09Å | 1.10Å | |
CAA | HAA2 | sing | 1.09Å | 1.10Å | |
CAA | HAA3 | sing | 1.09Å | 1.10Å | |
CAM | HAM | sing | 1.08Å | 1.08Å | |
CBC | HBC | sing | 1.09Å | 1.10Å | |
CAO | HAO1 | sing | 1.09Å | 1.10Å | |
CAO | HAO2 | sing | 1.09Å | 1.10Å | |
CBB | HBB | sing | 1.09Å | 1.10Å | |
CBA | HBA | sing | 1.09Å | 1.10Å | |
OAD | HAD | sing | 0.97Å | 0.95Å | |
CAN | HAN1 | sing | 1.09Å | 1.10Å | |
CAN | HAN2 | sing | 1.09Å | 1.10Å | |
NAP | HAP | sing | 0.97Å | 1.00Å | |
NAQ | HAQ | sing | 0.97Å | 1.00Å | |
CAL | HAL | sing | 1.08Å | 1.08Å | |
CAJ | HAJ | sing | 1.08Å | 1.08Å | |
CAK | HAK | sing | 1.08Å | 1.08Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
OAC | CAZ | NAR | 119.5° | 119.5° |
OAC | CAZ | NBD | 121.2° | 119.6° |
NAR | CAZ | NBD | 119.4° | 121.0° |
CAZ | NAR | CAY | 121.1° | 120.2° |
CAZ | NAR | HAR | 119.4° | 119.9° |
CAZ | NBD | CAM | 120.4° | 120.6° |
CAZ | NBD | CBC | 118.7° | 119.7° |
NAR | CAY | OAB | 117.9° | 120.3° |
NAR | CAY | CAU | 121.0° | 119.4° |
CAY | NAR | HAR | 119.5° | 119.9° |
OAB | CAY | CAU | 121.1° | 120.2° |
CAY | CAU | CAA | 120.5° | 120.5° |
CAY | CAU | CAM | 118.7° | 119.1° |
CAA | CAU | CAM | 120.8° | 120.4° |
CAU | CAA | HAA1 | 109.5° | 109.5° |
CAU | CAA | HAA2 | 109.5° | 109.5° |
CAU | CAA | HAA3 | 109.5° | 109.5° |
CAU | CAM | NBD | 119.5° | 119.7° |
CAU | CAM | HAM | 120.3° | 120.1° |
CAM | NBD | CBC | 120.9° | 119.7° |
NBD | CAM | HAM | 120.3° | 120.2° |
NBD | CBC | OAS | 101.8° | 110.4° |
NBD | CBC | CAO | 115.9° | 110.3° |
NBD | CBC | HBC | 111.4° | 110.3° |
OAS | CBC | CAO | 105.5° | 104.8° |
CBC | OAS | CBB | 107.3° | 105.3° |
OAS | CBC | HBC | 111.3° | 110.4° |
CBC | CAO | CBA | 100.7° | 104.1° |
CAO | CBC | HBC | 110.5° | 110.5° |
CBC | CAO | HAO1 | 111.6° | 110.5° |
CBC | CAO | HAO2 | 111.6° | 110.5° |
OAS | CBB | CBA | 107.0° | 104.8° |
OAS | CBB | CAN | 108.5° | 110.4° |
OAS | CBB | HBB | 111.5° | 110.3° |
CAO | CBA | OAD | 110.7° | 110.5° |
CAO | CBA | CBB | 103.8° | 104.1° |
CBA | CAO | HAO1 | 111.6° | 110.5° |
CBA | CAO | HAO2 | 111.6° | 110.5° |
CAO | CBA | HBA | 110.2° | 110.5° |
OAD | CBA | CBB | 111.0° | 110.5° |
OAD | CBA | HBA | 111.0° | 110.4° |
CBA | OAD | HAD | 109.5° | 114.0° |
CBA | CBB | CAN | 110.4° | 110.4° |
CBA | CBB | HBB | 109.8° | 110.4° |
CBB | CBA | HBA | 109.9° | 110.6° |
CBB | CAN | NAP | 107.6° | 109.5° |
CAN | CBB | HBB | 109.6° | 110.5° |
CBB | CAN | HAN1 | 110.0° | 109.4° |
CBB | CAN | HAN2 | 109.9° | 109.5° |
CAN | NAP | CAT | 123.5° | 120.0° |
NAP | CAN | HAN1 | 109.9° | 109.5° |
NAP | CAN | HAN2 | 109.9° | 109.5° |
CAN | NAP | HAP | 118.3° | 120.0° |
NAP | CAT | SAE | 119.6° | 120.0° |
NAP | CAT | NAQ | 117.5° | 120.0° |
CAT | NAP | HAP | 118.2° | 120.0° |
SAE | CAT | NAQ | 122.8° | 120.0° |
CAT | NAQ | CAV | 125.6° | 120.0° |
CAT | NAQ | HAQ | 117.2° | 120.0° |
NAQ | CAV | CAL | 122.7° | 120.0° |
NAQ | CAV | CAJ | 117.6° | 120.0° |
CAV | NAQ | HAQ | 117.2° | 120.0° |
CAL | CAV | CAJ | 119.7° | 119.9° |
CAV | CAL | CAX | 119.2° | 119.9° |
CAV | CAL | HAL | 120.4° | 120.1° |
CAV | CAJ | CAK | 120.9° | 119.9° |
CAV | CAJ | HAJ | 119.5° | 120.0° |
CAL | CAX | CAW | 120.4° | 120.1° |
CAL | CAX | CBE | 121.8° | 119.9° |
CAX | CAL | HAL | 120.4° | 120.1° |
CAJ | CAK | CAW | 119.5° | 120.0° |
CAK | CAJ | HAJ | 119.6° | 120.0° |
CAJ | CAK | HAK | 120.2° | 120.0° |
CAK | CAW | CL | 120.7° | 119.9° |
CAK | CAW | CAX | 120.3° | 120.1° |
CAW | CAK | HAK | 120.3° | 119.9° |
CL | CAW | CAX | 119.0° | 119.9° |
CAW | CAX | CBE | 117.8° | 120.0° |
CAX | CBE | FAG | 109.2° | 109.5° |
CAX | CBE | FAH | 109.5° | 109.5° |
CAX | CBE | FAF | 109.0° | 109.4° |
FAG | CBE | FAH | 110.5° | 109.5° |
FAG | CBE | FAF | 108.2° | 109.5° |
FAH | CBE | FAF | 110.4° | 109.5° |
HAA1 | CAA | HAA2 | 109.5° | 109.4° |
HAA1 | CAA | HAA3 | 109.5° | 109.5° |
HAA2 | CAA | HAA3 | 109.5° | 109.5° |
HAO1 | CAO | HAO2 | 109.4° | 110.5° |
HAN1 | CAN | HAN2 | 109.5° | 109.4° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
OAC | CAZ | NAR | NBD | 179.0° | 179.7° |
OAC | CAZ | NAR | CAY | 179.5° | 180.0° |
OAC | CAZ | NBD | CAM | 178.6° | 179.7° |
OAC | CAZ | NBD | CBC | 0.5° | 0.1° |
OAC | CAZ | NAR | HAR | 0.5° | 0.0° |
CAZ | NAR | CAY | HAR | 180.0° | 179.9° |
CAZ | NAR | CAY | OAB | 179.3° | 180.0° |
CAZ | NAR | CAY | CAU | 0.6° | 0.0° |
NAR | CAZ | NBD | CAM | 0.4° | 0.6° |
NAR | CAZ | NBD | CBC | 178.5° | 179.7° |
NBD | CAZ | NAR | CAY | 0.4° | 0.4° |
CAZ | NBD | CAM | CAU | 1.1° | 0.5° |
CAZ | NBD | CAM | CBC | 178.0° | 179.7° |
CAZ | NBD | CBC | OAS | 113.8° | 53.5° |
CAZ | NBD | CBC | CAO | 132.4° | 61.8° |
NBD | CAZ | NAR | HAR | 179.5° | 179.7° |
CAZ | NBD | CAM | HAM | 178.9° | 179.7° |
CAZ | NBD | CBC | HBC | 4.9° | 175.8° |
NAR | CAY | OAB | CAU | 178.7° | 180.0° |
NAR | CAY | CAU | CAA | 179.1° | 180.0° |
NAR | CAY | CAU | CAM | 0.1° | 0.0° |
OAB | CAY | CAU | CAA | 0.4° | 0.0° |
OAB | CAY | CAU | CAM | 178.6° | 180.0° |
OAB | CAY | NAR | HAR | 0.7° | 0.0° |
CAY | CAU | CAA | CAM | 179.0° | 180.0° |
CAY | CAU | CAM | NBD | 0.9° | 0.2° |
CAU | CAY | NAR | HAR | 179.3° | 180.0° |
CAY | CAU | CAA | HAA1 | 180.0° | 0.0° |
CAY | CAU | CAA | HAA2 | 60.0° | 120.0° |
CAY | CAU | CAA | HAA3 | 60.0° | 120.0° |
CAY | CAU | CAM | HAM | 179.1° | 180.0° |
CAA | CAU | CAM | NBD | 179.9° | 179.7° |
CAU | CAA | HAA1 | HAA2 | 120.0° | 120.0° |
CAU | CAA | HAA1 | HAA3 | 120.0° | 120.0° |
CAU | CAA | HAA2 | HAA3 | 120.0° | 120.0° |
CAA | CAU | CAM | HAM | 0.1° | 0.0° |
CAU | CAM | NBD | HAM | 180.0° | 179.8° |
CAU | CAM | NBD | CBC | 179.1° | 179.8° |
CAM | CAU | CAA | HAA1 | 1.0° | 180.0° |
CAM | CAU | CAA | HAA2 | 121.0° | 60.0° |
CAM | CAU | CAA | HAA3 | 119.0° | 60.0° |
CAM | NBD | CBC | OAS | 64.3° | 126.2° |
CAM | NBD | CBC | CAO | 49.6° | 118.5° |
CAM | NBD | CBC | HBC | 177.0° | 3.9° |
NBD | CBC | OAS | CAO | 121.3° | 118.8° |
NBD | CBC | OAS | HBC | 118.8° | 122.2° |
NBD | CBC | CAO | HBC | 127.9° | 122.3° |
NBD | CBC | OAS | CBB | 154.1° | 159.3° |
NBD | CBC | CAO | CBA | 151.7° | 142.8° |
CBC | NBD | CAM | HAM | 0.9° | 0.0° |
NBD | CBC | CAO | HAO1 | 89.8° | 98.6° |
NBD | CBC | CAO | HAO2 | 33.1° | 24.1° |
OAS | CBC | CAO | HBC | 120.4° | 118.9° |
OAS | CBC | CAO | CBA | 40.0° | 24.0° |
CBC | OAS | CBB | CBA | 11.3° | 40.5° |
CBC | OAS | CBB | CAN | 130.4° | 159.4° |
OAS | CBC | CAO | HAO1 | 158.6° | 142.6° |
OAS | CBC | CAO | HAO2 | 78.6° | 94.7° |
CBC | OAS | CBB | HBB | 108.8° | 78.3° |
CAO | CBC | OAS | CBB | 32.8° | 40.5° |
CBC | CAO | CBA | HAO1 | 118.6° | 118.6° |
CBC | CAO | CBA | HAO2 | 118.6° | 118.7° |
CBC | CAO | CBA | OAD | 87.3° | 118.6° |
CBC | CAO | CBA | CBB | 31.9° | 0.0° |
CBC | CAO | HAO1 | HAO2 | 124.1° | 122.7° |
CBC | CAO | CBA | HBA | 149.5° | 118.8° |
OAS | CBB | CBA | CAO | 13.8° | 24.0° |
OAS | CBB | CBA | OAD | 105.2° | 142.6° |
OAS | CBB | CBA | CAN | 117.9° | 118.8° |
OAS | CBB | CBA | HBB | 121.2° | 118.8° |
OAS | CBB | CAN | HBB | 122.0° | 122.3° |
OAS | CBB | CAN | NAP | 177.6° | 66.5° |
CBB | OAS | CBC | HBC | 87.1° | 78.5° |
OAS | CBB | CBA | HBA | 131.6° | 94.8° |
OAS | CBB | CAN | HAN1 | 57.9° | 173.5° |
OAS | CBB | CAN | HAN2 | 62.7° | 53.6° |
CAO | CBA | OAD | CBB | 114.8° | 114.6° |
CAO | CBA | OAD | HBA | 122.7° | 122.6° |
CAO | CBA | CBB | HBA | 117.8° | 118.7° |
CAO | CBA | CBB | CAN | 104.1° | 142.8° |
CBA | CAO | CBC | HBC | 80.4° | 94.9° |
CBA | CAO | HAO1 | HAO2 | 124.1° | 122.7° |
CAO | CBA | CBB | HBB | 135.0° | 94.8° |
CAO | CBA | OAD | HAD | 180.0° | 61.5° |
OAD | CBA | CBB | HBA | 123.2° | 122.6° |
OAD | CBA | CBB | CAN | 136.9° | 98.6° |
OAD | CBA | CAO | HAO1 | 31.3° | 0.0° |
OAD | CBA | CAO | HAO2 | 154.2° | 122.7° |
OAD | CBA | CBB | HBB | 16.0° | 23.8° |
CBA | CBB | CAN | HBB | 121.1° | 122.3° |
CBA | CBB | CAN | NAP | 60.7° | 178.2° |
CBB | CBA | CAO | HAO1 | 150.5° | 118.6° |
CBB | CBA | CAO | HAO2 | 86.7° | 118.7° |
CBB | CBA | OAD | HAD | 65.2° | 176.1° |
CBA | CBB | CAN | HAN1 | 59.0° | 58.1° |
CBA | CBB | CAN | HAN2 | 179.6° | 61.8° |
CBB | CAN | NAP | HAN1 | 119.7° | 120.0° |
CBB | CAN | NAP | HAN2 | 119.7° | 120.0° |
CBB | CAN | NAP | CAT | 168.3° | 180.0° |
CAN | CBB | CBA | HBA | 13.7° | 24.1° |
CBB | CAN | HAN1 | HAN2 | 120.9° | 119.9° |
CBB | CAN | NAP | HAP | 11.7° | 0.1° |
CAN | NAP | CAT | HAP | 180.0° | 179.9° |
CAN | NAP | CAT | SAE | 1.1° | 0.0° |
CAN | NAP | CAT | NAQ | 178.7° | 180.0° |
NAP | CAN | CBB | HBB | 60.4° | 55.8° |
NAP | CAN | HAN1 | HAN2 | 120.8° | 120.0° |
NAP | CAT | SAE | NAQ | 177.5° | 180.0° |
NAP | CAT | NAQ | CAV | 179.7° | 175.7° |
CAT | NAP | CAN | HAN1 | 72.0° | 60.0° |
CAT | NAP | CAN | HAN2 | 48.6° | 60.0° |
NAP | CAT | NAQ | HAQ | 0.3° | 4.2° |
SAE | CAT | NAQ | CAV | 2.7° | 4.2° |
SAE | CAT | NAP | HAP | 178.9° | 179.9° |
SAE | CAT | NAQ | HAQ | 177.3° | 175.8° |
CAT | NAQ | CAV | HAQ | 180.0° | 180.0° |
CAT | NAQ | CAV | CAL | 23.7° | 45.5° |
CAT | NAQ | CAV | CAJ | 156.2° | 134.8° |
NAQ | CAT | NAP | HAP | 1.3° | 0.1° |
NAQ | CAV | CAL | CAJ | 179.9° | 179.7° |
NAQ | CAV | CAL | CAX | 179.8° | 179.9° |
NAQ | CAV | CAJ | CAK | 180.0° | 179.9° |
NAQ | CAV | CAL | HAL | 0.1° | 0.0° |
NAQ | CAV | CAJ | HAJ | 0.0° | 0.0° |
CAV | CAL | CAX | HAL | 180.0° | 180.0° |
CAL | CAV | CAJ | CAK | 0.2° | 0.2° |
CAV | CAL | CAX | CAW | 0.3° | 0.0° |
CAV | CAL | CAX | CBE | 179.9° | 180.0° |
CAL | CAV | NAQ | HAQ | 156.3° | 134.5° |
CAL | CAV | CAJ | HAJ | 179.8° | 179.7° |
CAJ | CAV | CAL | CAX | 0.3° | 0.2° |
CAV | CAJ | CAK | HAJ | 180.0° | 180.0° |
CAV | CAJ | CAK | CAW | 0.0° | 0.0° |
CAJ | CAV | NAQ | HAQ | 23.8° | 45.2° |
CAJ | CAV | CAL | HAL | 179.7° | 179.7° |
CAV | CAJ | CAK | HAK | 180.0° | 180.0° |
CAL | CAX | CAW | CAK | 0.2° | 0.3° |
CAL | CAX | CAW | CL | 179.6° | 180.0° |
CAL | CAX | CAW | CBE | 179.8° | 180.0° |
CAL | CAX | CBE | FAG | 122.0° | 0.0° |
CAL | CAX | CBE | FAH | 0.9° | 120.0° |
CAL | CAX | CBE | FAF | 120.0° | 120.0° |
CAJ | CAK | CAW | HAK | 180.0° | 179.9° |
CAJ | CAK | CAW | CL | 179.8° | 180.0° |
CAJ | CAK | CAW | CAX | 0.0° | 0.3° |
CAK | CAW | CL | CAX | 179.8° | 179.7° |
CAK | CAW | CAX | CBE | 179.9° | 179.7° |
CAW | CAK | CAJ | HAJ | 180.0° | 180.0° |
CL | CAW | CAX | CBE | 0.1° | 0.0° |
CL | CAW | CAK | HAK | 0.2° | 0.0° |
CAW | CAX | CBE | FAG | 57.7° | 180.0° |
CAW | CAX | CBE | FAH | 178.8° | 60.0° |
CAW | CAX | CBE | FAF | 60.2° | 60.1° |
CAW | CAX | CAL | HAL | 179.7° | 180.0° |
CAX | CAW | CAK | HAK | 180.0° | 179.8° |
CAX | CBE | FAG | FAH | 120.5° | 120.0° |
CAX | CBE | FAG | FAF | 118.5° | 119.9° |
CAX | CBE | FAH | FAF | 120.1° | 120.0° |
CBE | CAX | CAL | HAL | 0.1° | 0.0° |
FAG | CBE | FAH | FAF | 119.6° | 120.0° |
HAA1 | CAA | HAA2 | HAA3 | 120.0° | 120.0° |
HBC | CBC | CAO | HAO1 | 38.2° | 23.7° |
HBC | CBC | CAO | HAO2 | 161.0° | 146.4° |
HAO1 | CAO | CBA | HBA | 91.9° | 122.6° |
HAO2 | CAO | CBA | HBA | 30.9° | 0.1° |
HBB | CBB | CBA | HBA | 107.2° | 146.4° |
HBB | CBB | CAN | HAN1 | 179.9° | 64.2° |
HBB | CBB | CAN | HAN2 | 59.3° | 175.9° |
HBA | CBA | OAD | HAD | 57.3° | 61.1° |
HAN1 | CAN | NAP | HAP | 108.0° | 120.0° |
HAN2 | CAN | NAP | HAP | 131.4° | 120.0° |
HAJ | CAJ | CAK | HAK | 0.0° | 0.1° |