CFV
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
OAN | PAM | sing | 1.61Å | 1.46Å | |
PAM | OAO | doub | 1.48Å | 1.46Å | |
PAM | OAP | sing | 1.61Å | 1.46Å | |
PAM | CAL | sing | 1.82Å | 1.79Å | |
CAL | OAK | sing | 1.43Å | 1.42Å | |
OAK | CAJ | sing | 1.43Å | 1.38Å | |
CAJ | CAQ | sing | 1.53Å | 1.44Å | |
CAJ | CAA | sing | 1.53Å | 1.49Å | |
CAQ | OAR | sing | 1.43Å | 1.40Å | |
CAA | NAB | sing | 1.46Å | 1.44Å | |
NAB | CAC | sing | 1.36Å | 1.35Å | |
NAB | CAH | sing | 1.35Å | 1.32Å | |
CAC | CAD | doub | 1.35Å | 1.36Å | |
CAD | CAE | sing | 1.41Å | 1.35Å | |
CAE | NAF | sing | 1.38Å | 1.29Å | |
CAE | NAG | doub | 1.33Å | 1.31Å | |
NAG | CAH | sing | 1.33Å | 1.31Å | |
CAH | OAI | doub | 1.22Å | 1.32Å | |
OAN | HOAN | sing | 0.97Å | 0.95Å | |
OAP | HOAP | sing | 0.97Å | 0.95Å | |
CAL | HAL | sing | 1.09Å | 1.10Å | |
CAL | HALA | sing | 1.09Å | 1.10Å | |
CAJ | HAJ | sing | 1.09Å | 1.10Å | |
CAQ | HAQ | sing | 1.09Å | 1.10Å | |
CAQ | HAQA | sing | 1.09Å | 1.10Å | |
OAR | HOAR | sing | 0.97Å | 0.95Å | |
CAA | HAA | sing | 1.09Å | 1.10Å | |
CAA | HAAA | sing | 1.09Å | 1.10Å | |
CAC | HAC | sing | 1.08Å | 1.08Å | |
CAD | HAD | sing | 1.08Å | 1.08Å | |
NAF | HNAF | sing | 0.97Å | 1.00Å | |
NAF | HNAA | sing | 0.97Å | 1.00Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
OAN | PAM | OAO | 115.9° | 109.5° |
OAN | PAM | OAP | 115.7° | 109.4° |
OAN | PAM | CAL | 101.1° | 109.5° |
PAM | OAN | HOAN | 109.5° | 114.0° |
OAO | PAM | OAP | 114.0° | 109.5° |
OAO | PAM | CAL | 102.7° | 109.5° |
OAP | PAM | CAL | 104.9° | 109.4° |
PAM | OAP | HOAP | 109.5° | 114.0° |
PAM | CAL | OAK | 114.6° | 109.5° |
PAM | CAL | HAL | 107.8° | 109.5° |
PAM | CAL | HALA | 106.6° | 109.4° |
CAL | OAK | CAJ | 104.2° | 114.0° |
OAK | CAL | HAL | 107.8° | 109.5° |
OAK | CAL | HALA | 106.6° | 109.4° |
OAK | CAJ | CAQ | 99.1° | 109.5° |
OAK | CAJ | CAA | 118.6° | 109.5° |
OAK | CAJ | HAJ | 107.7° | 109.5° |
CAQ | CAJ | CAA | 98.7° | 109.5° |
CAJ | CAQ | OAR | 104.9° | 109.5° |
CAQ | CAJ | HAJ | 125.4° | 109.4° |
CAJ | CAQ | HAQ | 111.0° | 109.5° |
CAJ | CAQ | HAQA | 112.0° | 109.4° |
CAJ | CAA | NAB | 108.5° | 109.5° |
CAA | CAJ | HAJ | 108.1° | 109.4° |
CAJ | CAA | HAA | 109.8° | 109.5° |
CAJ | CAA | HAAA | 110.0° | 109.4° |
OAR | CAQ | HAQ | 111.0° | 109.5° |
OAR | CAQ | HAQA | 112.0° | 109.5° |
CAQ | OAR | HOAR | 109.5° | 114.0° |
CAA | NAB | CAC | 121.4° | 119.8° |
CAA | NAB | CAH | 118.2° | 119.9° |
NAB | CAA | HAA | 109.8° | 109.5° |
NAB | CAA | HAAA | 110.0° | 109.4° |
CAC | NAB | CAH | 120.4° | 120.3° |
NAB | CAC | CAD | 118.4° | 119.3° |
NAB | CAC | HAC | 120.8° | 120.3° |
NAB | CAH | NAG | 121.3° | 121.1° |
NAB | CAH | OAI | 117.2° | 119.4° |
CAC | CAD | CAE | 118.5° | 119.0° |
CAD | CAC | HAC | 120.8° | 120.4° |
CAC | CAD | HAD | 120.8° | 120.5° |
CAD | CAE | NAF | 119.4° | 120.2° |
CAD | CAE | NAG | 121.2° | 119.6° |
CAE | CAD | HAD | 120.8° | 120.5° |
NAF | CAE | NAG | 119.4° | 120.2° |
CAE | NAF | HNAF | 110.8° | 120.0° |
CAE | NAF | HNAA | 124.6° | 120.0° |
CAE | NAG | CAH | 120.2° | 120.7° |
NAG | CAH | OAI | 121.6° | 119.5° |
HAL | CAL | HALA | 113.6° | 109.5° |
HAQ | CAQ | HAQA | 106.0° | 109.5° |
HAA | CAA | HAAA | 108.7° | 109.5° |
HNAF | NAF | HNAA | 124.6° | 120.1° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
OAN | PAM | OAO | OAP | 137.9° | 120.0° |
OAN | PAM | OAO | CAL | 109.2° | 120.0° |
OAN | PAM | OAP | CAL | 110.5° | 120.0° |
OAN | PAM | CAL | OAK | 84.6° | 180.0° |
OAN | PAM | OAP | HOAP | 130.3° | 60.0° |
OAN | PAM | CAL | HAL | 155.4° | 59.9° |
OAN | PAM | CAL | HALA | 33.1° | 60.1° |
OAO | PAM | OAP | CAL | 111.5° | 120.0° |
OAO | PAM | CAL | OAK | 155.4° | 60.0° |
OAO | PAM | OAN | HOAN | 153.0° | 60.0° |
OAO | PAM | OAP | HOAP | 91.7° | 180.0° |
OAO | PAM | CAL | HAL | 35.4° | 180.0° |
OAO | PAM | CAL | HALA | 86.9° | 60.0° |
OAP | PAM | CAL | OAK | 36.0° | 60.0° |
OAP | PAM | OAN | HOAN | 69.8° | 60.0° |
OAP | PAM | CAL | HAL | 84.0° | 60.0° |
OAP | PAM | CAL | HALA | 153.7° | 180.0° |
PAM | CAL | OAK | HAL | 120.0° | 120.0° |
PAM | CAL | OAK | HALA | 117.7° | 120.0° |
PAM | CAL | OAK | CAJ | 93.7° | 75.1° |
CAL | PAM | OAN | HOAN | 42.9° | 180.0° |
CAL | PAM | OAP | HOAP | 19.8° | 60.0° |
PAM | CAL | HAL | HALA | 117.9° | 120.0° |
CAL | OAK | CAJ | CAQ | 57.5° | 90.0° |
CAL | OAK | CAJ | CAA | 162.7° | 150.0° |
OAK | CAL | HAL | HALA | 117.9° | 120.0° |
CAL | OAK | CAJ | HAJ | 74.3° | 30.0° |
OAK | CAJ | CAQ | CAA | 121.0° | 120.0° |
OAK | CAJ | CAQ | HAJ | 119.5° | 120.1° |
OAK | CAJ | CAA | HAJ | 122.8° | 120.0° |
OAK | CAJ | CAQ | OAR | 166.2° | 65.0° |
OAK | CAJ | CAA | NAB | 44.4° | 64.9° |
CAJ | OAK | CAL | HAL | 26.3° | 45.0° |
CAJ | OAK | CAL | HALA | 148.6° | 165.0° |
OAK | CAJ | CAQ | HAQ | 73.8° | 175.0° |
OAK | CAJ | CAQ | HAQA | 44.5° | 55.0° |
OAK | CAJ | CAA | HAA | 164.4° | 175.0° |
OAK | CAJ | CAA | HAAA | 76.0° | 55.0° |
CAQ | CAJ | CAA | HAJ | 131.8° | 119.9° |
CAJ | CAQ | OAR | HAQ | 120.0° | 120.1° |
CAJ | CAQ | OAR | HAQA | 121.7° | 120.0° |
CAQ | CAJ | CAA | NAB | 149.8° | 175.0° |
CAJ | CAQ | HAQ | HAQA | 121.8° | 120.0° |
CAJ | CAQ | OAR | HOAR | 97.8° | 180.0° |
CAQ | CAJ | CAA | HAA | 90.2° | 54.9° |
CAQ | CAJ | CAA | HAAA | 29.4° | 65.0° |
CAA | CAJ | CAQ | OAR | 45.2° | 55.1° |
CAJ | CAA | NAB | HAA | 120.0° | 120.0° |
CAJ | CAA | NAB | HAAA | 120.4° | 119.9° |
CAJ | CAA | NAB | CAC | 54.4° | 90.1° |
CAJ | CAA | NAB | CAH | 125.2° | 90.3° |
CAA | CAJ | CAQ | HAQ | 165.2° | 65.0° |
CAA | CAJ | CAQ | HAQA | 76.5° | 175.0° |
CAJ | CAA | HAA | HAAA | 120.4° | 120.0° |
OAR | CAQ | CAJ | HAJ | 74.3° | 175.0° |
OAR | CAQ | HAQ | HAQA | 121.9° | 120.0° |
CAA | NAB | CAC | CAH | 179.6° | 179.7° |
CAA | NAB | CAC | CAD | 179.3° | 180.0° |
CAA | NAB | CAH | NAG | 179.3° | 179.7° |
CAA | NAB | CAH | OAI | 0.5° | 0.0° |
NAB | CAA | CAJ | HAJ | 78.5° | 55.1° |
NAB | CAA | HAA | HAAA | 120.4° | 120.0° |
CAA | NAB | CAC | HAC | 0.7° | 0.1° |
NAB | CAC | CAD | HAC | 180.0° | 180.0° |
NAB | CAC | CAD | CAE | 0.3° | 0.0° |
CAC | NAB | CAH | NAG | 0.4° | 0.6° |
CAC | NAB | CAH | OAI | 179.8° | 179.7° |
CAC | NAB | CAA | HAA | 65.6° | 30.0° |
CAC | NAB | CAA | HAAA | 174.8° | 150.0° |
NAB | CAC | CAD | HAD | 179.7° | 179.9° |
CAH | NAB | CAC | CAD | 0.4° | 0.3° |
NAB | CAH | NAG | CAE | 0.4° | 0.6° |
NAB | CAH | NAG | OAI | 179.8° | 179.7° |
CAH | NAB | CAA | HAA | 114.8° | 149.7° |
CAH | NAB | CAA | HAAA | 4.8° | 29.7° |
CAH | NAB | CAC | HAC | 179.7° | 179.7° |
CAC | CAD | CAE | HAD | 180.0° | 179.9° |
CAC | CAD | CAE | NAF | 179.9° | 180.0° |
CAC | CAD | CAE | NAG | 0.3° | 0.0° |
CAD | CAE | NAF | NAG | 179.8° | 180.0° |
CAD | CAE | NAG | CAH | 0.3° | 0.3° |
CAE | CAD | CAC | HAC | 179.7° | 180.0° |
CAD | CAE | NAF | HNAF | 180.0° | 0.0° |
CAD | CAE | NAF | HNAA | 0.0° | 180.0° |
NAF | CAE | NAG | CAH | 179.9° | 179.7° |
NAF | CAE | CAD | HAD | 0.1° | 0.1° |
CAE | NAF | HNAF | HNAA | 180.0° | 180.0° |
CAE | NAG | CAH | OAI | 179.8° | 179.7° |
NAG | CAE | CAD | HAD | 179.7° | 179.9° |
NAG | CAE | NAF | HNAF | 0.2° | 180.0° |
NAG | CAE | NAF | HNAA | 179.7° | 0.0° |
HAJ | CAJ | CAQ | HAQ | 45.7° | 54.9° |
HAJ | CAJ | CAQ | HAQA | 163.9° | 65.1° |
HAJ | CAJ | CAA | HAA | 41.6° | 65.0° |
HAJ | CAJ | CAA | HAAA | 161.1° | 175.0° |
HAQ | CAQ | OAR | HOAR | 22.2° | 60.0° |
HAQA | CAQ | OAR | HOAR | 140.5° | 60.0° |
HAC | CAC | CAD | HAD | 0.3° | 0.0° |