OCZ
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
CAL | CAM | sing | 1.53Å | 1.51Å | |
CAL | CAK | sing | 1.53Å | 1.55Å | |
CAM | CAJ | sing | 1.53Å | 1.44Å | |
CAJ | CAH | sing | 1.51Å | 1.42Å | |
CAH | CAF | sing | 1.46Å | 1.35Å | Aromatic |
CAH | CAI | doub | 1.35Å | 1.38Å | Aromatic |
CAF | CAA | sing | 1.40Å | 1.36Å | Aromatic |
CAF | CAE | doub | 1.41Å | 1.35Å | Aromatic |
CAA | CAB | doub | 1.37Å | 1.40Å | Aromatic |
CAB | CL | sing | 1.74Å | 1.78Å | |
CAB | CAC | sing | 1.39Å | 1.38Å | Aromatic |
CAC | CAD | doub | 1.38Å | 1.40Å | Aromatic |
CAD | CAE | sing | 1.39Å | 1.36Å | Aromatic |
CAE | NAG | sing | 1.38Å | 1.34Å | Aromatic |
NAG | CAI | sing | 1.37Å | 1.40Å | Aromatic |
CAI | CAK | sing | 1.51Å | 1.46Å | |
CAK | CAO | sing | 1.51Å | 1.47Å | |
CAO | OAP | doub | 1.21Å | 1.24Å | |
CAO | NAQ | sing | 1.35Å | 1.37Å | |
CAL | HAL1 | sing | 1.09Å | 1.10Å | |
CAL | HAL2 | sing | 1.09Å | 1.10Å | |
CAM | HAM1 | sing | 1.09Å | 1.10Å | |
CAM | HAM2 | sing | 1.09Å | 1.10Å | |
CAK | HAK | sing | 1.09Å | 1.10Å | |
CAJ | HAJ1 | sing | 1.09Å | 1.10Å | |
CAJ | HAJ2 | sing | 1.09Å | 1.10Å | |
CAA | HAA | sing | 1.08Å | 1.08Å | |
CAC | HAC1 | sing | 1.08Å | 1.08Å | |
CAD | HAD | sing | 1.08Å | 1.08Å | |
NAG | HAG | sing | 0.97Å | 1.00Å | |
NAQ | HAQ1 | sing | 0.97Å | 1.00Å | |
NAQ | HAQ2 | sing | 0.97Å | 1.00Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
CAM | CAL | CAK | 106.5° | 109.5° |
CAL | CAM | CAJ | 109.5° | 109.5° |
CAM | CAL | HAL1 | 110.2° | 109.5° |
CAM | CAL | HAL2 | 110.2° | 109.5° |
CAL | CAM | HAM1 | 109.5° | 109.5° |
CAL | CAM | HAM2 | 109.5° | 109.3° |
CAL | CAK | CAI | 111.8° | 108.5° |
CAL | CAK | CAO | 107.1° | 109.6° |
CAK | CAL | HAL1 | 110.2° | 109.3° |
CAK | CAL | HAL2 | 110.2° | 109.6° |
CAL | CAK | HAK | 107.5° | 109.8° |
CAM | CAJ | CAH | 112.2° | 108.5° |
CAJ | CAM | HAM1 | 109.5° | 109.5° |
CAJ | CAM | HAM2 | 109.4° | 109.5° |
CAM | CAJ | HAJ1 | 108.8° | 109.6° |
CAM | CAJ | HAJ2 | 108.8° | 109.8° |
CAJ | CAH | CAF | 130.1° | 127.9° |
CAJ | CAH | CAI | 122.3° | 124.7° |
CAH | CAJ | HAJ1 | 108.8° | 109.7° |
CAH | CAJ | HAJ2 | 108.8° | 109.6° |
CAF | CAH | CAI | 107.5° | 107.4° |
CAH | CAF | CAA | 131.3° | 134.4° |
CAH | CAF | CAE | 109.8° | 105.9° |
CAH | CAI | NAG | 106.4° | 109.6° |
CAH | CAI | CAK | 121.6° | 123.7° |
CAA | CAF | CAE | 118.8° | 119.8° |
CAF | CAA | CAB | 122.0° | 119.8° |
CAF | CAA | HAA | 119.0° | 120.1° |
CAF | CAE | CAD | 121.3° | 119.4° |
CAF | CAE | NAG | 107.9° | 107.2° |
CAA | CAB | CL | 123.2° | 119.7° |
CAA | CAB | CAC | 118.4° | 120.6° |
CAB | CAA | HAA | 119.0° | 120.1° |
CL | CAB | CAC | 118.4° | 119.7° |
CAB | CAC | CAD | 118.5° | 120.6° |
CAB | CAC | HAC1 | 120.7° | 119.8° |
CAC | CAD | CAE | 120.9° | 119.9° |
CAD | CAC | HAC1 | 120.8° | 119.7° |
CAC | CAD | HAD | 119.6° | 120.1° |
CAD | CAE | NAG | 130.8° | 133.4° |
CAE | CAD | HAD | 119.5° | 120.1° |
CAE | NAG | CAI | 108.3° | 109.9° |
CAE | NAG | HAG | 125.8° | 125.1° |
NAG | CAI | CAK | 132.0° | 126.7° |
CAI | NAG | HAG | 125.9° | 125.0° |
CAI | CAK | CAO | 113.4° | 109.6° |
CAI | CAK | HAK | 108.6° | 109.6° |
CAK | CAO | OAP | 122.7° | 120.0° |
CAK | CAO | NAQ | 116.9° | 120.0° |
CAO | CAK | HAK | 108.3° | 109.6° |
OAP | CAO | NAQ | 120.4° | 120.0° |
CAO | NAQ | HAQ1 | 120.0° | 120.0° |
CAO | NAQ | HAQ2 | 120.0° | 120.0° |
HAL1 | CAL | HAL2 | 109.4° | 109.4° |
HAM1 | CAM | HAM2 | 109.5° | 109.5° |
HAJ1 | CAJ | HAJ2 | 109.5° | 109.6° |
HAQ1 | NAQ | HAQ2 | 120.0° | 120.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
CAM | CAL | CAK | HAL1 | 119.5° | 120.0° |
CAM | CAL | CAK | HAL2 | 119.6° | 120.1° |
CAL | CAM | CAJ | HAM1 | 120.0° | 120.1° |
CAL | CAM | CAJ | HAM2 | 120.0° | 119.8° |
CAL | CAM | CAJ | CAH | 55.2° | 49.3° |
CAM | CAL | CAK | CAI | 47.2° | 50.2° |
CAM | CAL | CAK | CAO | 77.6° | 170.0° |
CAM | CAL | HAL1 | HAL2 | 121.4° | 120.0° |
CAL | CAM | HAM1 | HAM2 | 120.0° | 119.8° |
CAM | CAL | CAK | HAK | 166.2° | 69.6° |
CAL | CAM | CAJ | HAJ1 | 65.2° | 70.4° |
CAL | CAM | CAJ | HAJ2 | 175.6° | 169.2° |
CAK | CAL | CAM | CAJ | 67.7° | 69.8° |
CAL | CAK | CAI | CAH | 17.4° | 17.2° |
CAL | CAK | CAI | NAG | 163.2° | 163.0° |
CAL | CAK | CAI | CAO | 121.2° | 119.7° |
CAL | CAK | CAI | HAK | 118.3° | 119.9° |
CAL | CAK | CAO | HAK | 115.6° | 120.6° |
CAL | CAK | CAO | OAP | 120.7° | 119.0° |
CAL | CAK | CAO | NAQ | 60.1° | 61.0° |
CAK | CAL | HAL1 | HAL2 | 121.3° | 120.0° |
CAK | CAL | CAM | HAM1 | 172.3° | 170.1° |
CAK | CAL | CAM | HAM2 | 52.3° | 50.1° |
CAM | CAJ | CAH | HAJ1 | 120.4° | 119.7° |
CAM | CAJ | CAH | HAJ2 | 120.4° | 119.9° |
CAM | CAJ | CAH | CAF | 160.4° | 163.7° |
CAM | CAJ | CAH | CAI | 22.9° | 16.3° |
CAJ | CAM | CAL | HAL1 | 172.7° | 50.0° |
CAJ | CAM | CAL | HAL2 | 51.8° | 170.0° |
CAJ | CAM | HAM1 | HAM2 | 120.0° | 120.1° |
CAM | CAJ | HAJ1 | HAJ2 | 118.7° | 120.6° |
CAJ | CAH | CAF | CAI | 177.1° | 180.0° |
CAJ | CAH | CAF | CAA | 2.9° | 0.1° |
CAJ | CAH | CAF | CAE | 177.6° | 180.0° |
CAJ | CAH | CAI | NAG | 176.5° | 180.0° |
CAJ | CAH | CAI | CAK | 4.0° | 0.1° |
CAH | CAJ | CAM | HAM1 | 175.2° | 169.4° |
CAH | CAJ | CAM | HAM2 | 64.8° | 70.5° |
CAH | CAJ | HAJ1 | HAJ2 | 118.8° | 120.4° |
CAH | CAF | CAA | CAE | 179.5° | 179.9° |
CAH | CAF | CAA | CAB | 179.8° | 179.9° |
CAH | CAF | CAE | CAD | 179.0° | 180.0° |
CAH | CAF | CAE | NAG | 1.7° | 0.0° |
CAF | CAH | CAI | NAG | 0.9° | 0.0° |
CAF | CAH | CAI | CAK | 178.6° | 179.8° |
CAF | CAH | CAJ | HAJ1 | 79.2° | 76.7° |
CAF | CAH | CAJ | HAJ2 | 40.0° | 43.7° |
CAH | CAF | CAA | HAA | 0.2° | 0.1° |
CAI | CAH | CAF | CAA | 180.0° | 179.9° |
CAI | CAH | CAF | CAE | 0.4° | 0.0° |
CAH | CAI | NAG | CAE | 2.0° | 0.0° |
CAH | CAI | NAG | CAK | 179.5° | 179.8° |
CAH | CAI | CAK | CAO | 103.8° | 136.9° |
CAH | CAI | CAK | HAK | 135.8° | 102.7° |
CAI | CAH | CAJ | HAJ1 | 97.5° | 103.4° |
CAI | CAH | CAJ | HAJ2 | 143.3° | 136.2° |
CAH | CAI | NAG | HAG | 178.0° | 179.7° |
CAF | CAA | CAB | HAA | 180.0° | 180.0° |
CAF | CAA | CAB | CL | 179.7° | 180.0° |
CAF | CAA | CAB | CAC | 1.1° | 0.0° |
CAA | CAF | CAE | CAD | 0.6° | 0.1° |
CAA | CAF | CAE | NAG | 178.7° | 179.9° |
CAE | CAF | CAA | CAB | 0.7° | 0.1° |
CAF | CAE | CAD | CAC | 1.4° | 0.1° |
CAF | CAE | CAD | NAG | 179.1° | 180.0° |
CAF | CAE | NAG | CAI | 2.3° | 0.0° |
CAE | CAF | CAA | HAA | 179.3° | 179.9° |
CAF | CAE | CAD | HAD | 178.6° | 179.9° |
CAF | CAE | NAG | HAG | 177.7° | 179.7° |
CAA | CAB | CL | CAC | 178.6° | 180.0° |
CAA | CAB | CAC | CAD | 0.3° | 0.0° |
CAA | CAB | CAC | HAC1 | 179.7° | 180.0° |
CL | CAB | CAC | CAD | 179.0° | 180.0° |
CL | CAB | CAA | HAA | 0.3° | 0.0° |
CL | CAB | CAC | HAC1 | 1.0° | 0.1° |
CAB | CAC | CAD | HAC1 | 180.0° | 180.0° |
CAB | CAC | CAD | CAE | 0.9° | 0.0° |
CAC | CAB | CAA | HAA | 178.9° | 180.0° |
CAB | CAC | CAD | HAD | 179.0° | 180.0° |
CAC | CAD | CAE | HAD | 180.0° | 180.0° |
CAC | CAD | CAE | NAG | 177.7° | 180.0° |
CAD | CAE | NAG | CAI | 178.5° | 180.0° |
CAE | CAD | CAC | HAC1 | 179.1° | 180.0° |
CAD | CAE | NAG | HAG | 1.5° | 0.3° |
CAE | NAG | CAI | HAG | 180.0° | 179.7° |
CAE | NAG | CAI | CAK | 177.5° | 179.8° |
NAG | CAE | CAD | HAD | 2.3° | 0.0° |
NAG | CAI | CAK | CAO | 75.6° | 43.3° |
NAG | CAI | CAK | HAK | 44.8° | 77.1° |
CAI | CAK | CAO | HAK | 120.6° | 120.4° |
CAI | CAK | CAO | OAP | 3.1° | 0.0° |
CAI | CAK | CAO | NAQ | 176.1° | 180.0° |
CAI | CAK | CAL | HAL1 | 166.7° | 69.7° |
CAI | CAK | CAL | HAL2 | 72.4° | 170.4° |
CAK | CAI | NAG | HAG | 2.5° | 0.1° |
CAK | CAO | OAP | NAQ | 179.1° | 180.0° |
CAO | CAK | CAL | HAL1 | 41.9° | 50.0° |
CAO | CAK | CAL | HAL2 | 162.8° | 69.9° |
CAK | CAO | NAQ | HAQ1 | 179.2° | 180.0° |
CAK | CAO | NAQ | HAQ2 | 0.8° | 0.3° |
OAP | CAO | CAK | HAK | 123.6° | 120.4° |
OAP | CAO | NAQ | HAQ1 | 0.0° | 0.0° |
OAP | CAO | NAQ | HAQ2 | 180.0° | 179.7° |
NAQ | CAO | CAK | HAK | 55.5° | 59.6° |
CAO | NAQ | HAQ1 | HAQ2 | 180.0° | 179.7° |
HAL1 | CAL | CAM | HAM1 | 52.7° | 70.1° |
HAL1 | CAL | CAM | HAM2 | 67.3° | 170.0° |
HAL1 | CAL | CAK | HAK | 74.3° | 170.5° |
HAL2 | CAL | CAM | HAM1 | 68.2° | 49.9° |
HAL2 | CAL | CAM | HAM2 | 171.8° | 70.0° |
HAL2 | CAL | CAK | HAK | 46.6° | 50.6° |
HAM1 | CAM | CAJ | HAJ1 | 54.8° | 49.7° |
HAM1 | CAM | CAJ | HAJ2 | 64.4° | 70.8° |
HAM2 | CAM | CAJ | HAJ1 | 174.8° | 169.8° |
HAM2 | CAM | CAJ | HAJ2 | 55.6° | 49.3° |
HAC1 | CAC | CAD | HAD | 1.0° | 0.0° |