AN7
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
CAA | CAQ | sing | 1.51Å | 1.54Å | |
OAB | CAO | doub | 1.21Å | 1.24Å | |
OAC | CAP | doub | 1.22Å | 1.22Å | |
OAD | PAU | doub | 1.48Å | 1.48Å | |
OAE | CAO | sing | 1.35Å | 1.27Å | |
OAF | CAR | sing | 1.36Å | 1.37Å | |
OAG | PAU | sing | 1.61Å | 1.59Å | |
OAH | PAU | sing | 1.61Å | 1.61Å | |
CAI | CAJ | doub | 1.36Å | 1.40Å | |
CAI | CAP | sing | 1.41Å | 1.40Å | |
CAJ | CAT | sing | 1.47Å | 1.43Å | |
CAK | NAM | doub | 1.32Å | 1.34Å | Aromatic |
CAK | CAS | sing | 1.38Å | 1.41Å | Aromatic |
CAL | OAN | sing | 1.43Å | 1.43Å | |
CAL | CAS | sing | 1.51Å | 1.54Å | |
NAM | CAQ | sing | 1.32Å | 1.37Å | Aromatic |
OAN | PAU | sing | 1.61Å | 1.61Å | |
CAO | CAP | sing | 1.49Å | 1.55Å | |
CAQ | CAR | doub | 1.39Å | 1.43Å | Aromatic |
CAR | CAT | sing | 1.41Å | 1.45Å | Aromatic |
CAS | CAT | doub | 1.40Å | 1.46Å | Aromatic |
CAA | HAA | sing | 1.09Å | 1.10Å | |
CAA | HAAA | sing | 1.09Å | 1.10Å | |
CAA | HAAB | sing | 1.09Å | 1.10Å | |
OAE | HOAE | sing | 0.97Å | 0.95Å | |
OAF | HOAF | sing | 0.97Å | 0.95Å | |
OAG | HOAG | sing | 0.97Å | 0.95Å | |
OAH | HOAH | sing | 0.97Å | 0.95Å | |
CAI | HAI | sing | 1.08Å | 1.08Å | |
CAJ | HAJ | sing | 1.08Å | 1.08Å | |
CAK | HAK | sing | 1.08Å | 1.08Å | |
CAL | HAL | sing | 1.09Å | 1.10Å | |
CAL | HALA | sing | 1.09Å | 1.10Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
CAA | CAQ | NAM | 117.4° | 119.6° |
CAA | CAQ | CAR | 122.3° | 119.6° |
CAQ | CAA | HAA | 109.5° | 109.4° |
CAQ | CAA | HAAA | 109.5° | 109.5° |
CAQ | CAA | HAAB | 109.5° | 109.4° |
OAB | CAO | OAE | 122.5° | 120.0° |
OAB | CAO | CAP | 118.3° | 120.0° |
OAC | CAP | CAI | 121.5° | 120.0° |
OAC | CAP | CAO | 120.1° | 120.0° |
OAD | PAU | OAG | 110.9° | 109.4° |
OAD | PAU | OAH | 109.7° | 109.5° |
OAD | PAU | OAN | 114.4° | 109.5° |
OAE | CAO | CAP | 119.2° | 120.0° |
CAO | OAE | HOAE | 109.5° | 117.0° |
OAF | CAR | CAQ | 118.1° | 120.6° |
OAF | CAR | CAT | 124.2° | 120.7° |
CAR | OAF | HOAF | 109.5° | 114.0° |
OAG | PAU | OAH | 106.3° | 109.5° |
OAG | PAU | OAN | 107.7° | 109.5° |
PAU | OAG | HOAG | 109.5° | 114.0° |
OAH | PAU | OAN | 107.5° | 109.5° |
PAU | OAH | HOAH | 109.5° | 113.9° |
CAJ | CAI | CAP | 127.3° | 120.0° |
CAI | CAJ | CAT | 129.8° | 120.0° |
CAJ | CAI | HAI | 116.3° | 120.0° |
CAI | CAJ | HAJ | 115.1° | 120.0° |
CAI | CAP | CAO | 118.4° | 120.0° |
CAP | CAI | HAI | 116.3° | 120.0° |
CAJ | CAT | CAR | 124.2° | 121.0° |
CAJ | CAT | CAS | 117.1° | 121.0° |
CAT | CAJ | HAJ | 115.1° | 120.0° |
NAM | CAK | CAS | 121.0° | 121.1° |
CAK | NAM | CAQ | 123.5° | 122.3° |
NAM | CAK | HAK | 119.5° | 119.5° |
CAK | CAS | CAL | 113.4° | 120.5° |
CAK | CAS | CAT | 118.8° | 119.0° |
CAS | CAK | HAK | 119.5° | 119.4° |
OAN | CAL | CAS | 111.2° | 109.5° |
CAL | OAN | PAU | 119.8° | 123.0° |
OAN | CAL | HAL | 108.9° | 109.5° |
OAN | CAL | HALA | 108.9° | 109.5° |
CAL | CAS | CAT | 127.8° | 120.5° |
CAS | CAL | HAL | 108.9° | 109.5° |
CAS | CAL | HALA | 108.9° | 109.5° |
NAM | CAQ | CAR | 120.3° | 120.8° |
CAQ | CAR | CAT | 117.7° | 118.7° |
CAR | CAT | CAS | 118.7° | 118.0° |
HAA | CAA | HAAA | 109.4° | 109.5° |
HAA | CAA | HAAB | 109.5° | 109.5° |
HAAA | CAA | HAAB | 109.5° | 109.5° |
HAL | CAL | HALA | 110.0° | 109.4° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
CAA | CAQ | CAR | OAF | 0.1° | 0.0° |
CAA | CAQ | NAM | CAK | 180.0° | 180.0° |
CAA | CAQ | NAM | CAR | 179.9° | 179.9° |
CAA | CAQ | CAR | CAT | 179.9° | 179.9° |
CAQ | CAA | HAA | HAAA | 120.0° | 120.0° |
CAQ | CAA | HAA | HAAB | 120.0° | 120.0° |
CAQ | CAA | HAAA | HAAB | 120.0° | 120.0° |
OAB | CAO | CAP | OAC | 0.5° | 180.0° |
OAB | CAO | OAE | CAP | 179.7° | 179.9° |
OAB | CAO | CAP | CAI | 179.6° | 0.0° |
OAB | CAO | OAE | HOAE | 0.0° | 0.0° |
OAC | CAP | CAO | OAE | 179.2° | 0.0° |
OAC | CAP | CAI | CAJ | 1.5° | 0.0° |
OAC | CAP | CAI | CAO | 179.9° | 180.0° |
OAC | CAP | CAI | HAI | 178.5° | 180.0° |
OAD | PAU | OAG | OAH | 119.2° | 120.0° |
OAD | PAU | OAG | OAN | 125.9° | 120.0° |
OAD | PAU | OAH | OAN | 125.0° | 120.0° |
OAD | PAU | OAN | CAL | 56.2° | 55.0° |
OAD | PAU | OAG | HOAG | 0.0° | 60.1° |
OAD | PAU | OAH | HOAH | 0.0° | 180.0° |
OAE | CAO | CAP | CAI | 0.7° | 180.0° |
OAF | CAR | CAT | CAJ | 0.1° | 0.0° |
OAF | CAR | CAQ | NAM | 179.9° | 179.9° |
OAF | CAR | CAQ | CAT | 179.9° | 180.0° |
OAF | CAR | CAT | CAS | 179.9° | 180.0° |
OAG | PAU | OAH | OAN | 115.1° | 120.0° |
OAG | PAU | OAN | CAL | 179.9° | 175.0° |
OAG | PAU | OAH | HOAH | 119.9° | 60.0° |
OAH | PAU | OAN | CAL | 65.9° | 65.0° |
OAH | PAU | OAG | HOAG | 119.2° | 59.9° |
CAJ | CAI | CAP | HAI | 180.0° | 180.0° |
CAI | CAJ | CAT | HAJ | 180.0° | 180.0° |
CAJ | CAI | CAP | CAO | 178.4° | 180.0° |
CAI | CAJ | CAT | CAR | 1.4° | 50.0° |
CAI | CAJ | CAT | CAS | 178.6° | 130.0° |
CAP | CAI | CAJ | CAT | 178.1° | 180.0° |
CAP | CAI | CAJ | HAJ | 1.8° | 0.0° |
CAJ | CAT | CAS | CAK | 179.9° | 180.0° |
CAJ | CAT | CAS | CAL | 0.4° | 0.0° |
CAJ | CAT | CAR | CAQ | 179.9° | 180.0° |
CAJ | CAT | CAR | CAS | 179.9° | 180.0° |
CAT | CAJ | CAI | HAI | 1.9° | 0.0° |
NAM | CAK | CAS | HAK | 180.0° | 179.8° |
NAM | CAK | CAS | CAL | 179.8° | 180.0° |
CAK | NAM | CAQ | CAR | 0.0° | 0.1° |
NAM | CAK | CAS | CAT | 0.1° | 0.1° |
CAK | CAS | CAL | OAN | 96.9° | 0.0° |
CAK | CAS | CAL | CAT | 179.7° | 180.0° |
CAS | CAK | NAM | CAQ | 0.1° | 0.1° |
CAK | CAS | CAT | CAR | 0.0° | 0.0° |
CAK | CAS | CAL | HAL | 143.1° | 120.0° |
CAK | CAS | CAL | HALA | 23.1° | 120.1° |
OAN | CAL | CAS | HAL | 120.0° | 120.0° |
OAN | CAL | CAS | HALA | 120.0° | 120.0° |
OAN | CAL | CAS | CAT | 82.8° | 180.0° |
OAN | CAL | HAL | HALA | 119.3° | 120.0° |
CAS | CAL | OAN | PAU | 140.8° | 180.0° |
CAL | CAS | CAT | CAR | 179.7° | 180.0° |
CAL | CAS | CAK | HAK | 0.2° | 0.2° |
CAS | CAL | HAL | HALA | 119.2° | 120.0° |
NAM | CAQ | CAR | CAT | 0.0° | 0.1° |
NAM | CAQ | CAA | HAA | 0.0° | 90.1° |
NAM | CAQ | CAA | HAAA | 120.0° | 149.9° |
NAM | CAQ | CAA | HAAB | 120.0° | 29.9° |
CAQ | NAM | CAK | HAK | 179.9° | 179.7° |
OAN | PAU | OAG | HOAG | 125.9° | 180.0° |
OAN | PAU | OAH | HOAH | 125.0° | 60.0° |
PAU | OAN | CAL | HAL | 20.8° | 60.0° |
PAU | OAN | CAL | HALA | 99.2° | 60.0° |
CAP | CAO | OAE | HOAE | 179.7° | 180.0° |
CAO | CAP | CAI | HAI | 1.6° | 0.0° |
CAQ | CAR | CAT | CAS | 0.0° | 0.0° |
CAR | CAQ | CAA | HAA | 179.9° | 90.0° |
CAR | CAQ | CAA | HAAA | 60.1° | 29.9° |
CAR | CAQ | CAA | HAAB | 59.9° | 150.0° |
CAQ | CAR | OAF | HOAF | 180.0° | 90.0° |
CAT | CAR | OAF | HOAF | 0.2° | 90.0° |
CAR | CAT | CAJ | HAJ | 178.6° | 130.0° |
CAS | CAT | CAJ | HAJ | 1.4° | 50.0° |
CAT | CAS | CAK | HAK | 179.9° | 179.8° |
CAT | CAS | CAL | HAL | 37.2° | 60.0° |
CAT | CAS | CAL | HALA | 157.2° | 60.0° |
HAA | CAA | HAAA | HAAB | 120.0° | 120.1° |
HAI | CAI | CAJ | HAJ | 178.1° | NaN° |