646
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
CAA | CAU | sing | 1.51Å | 1.53Å | |
CAA | HAA | sing | 1.09Å | 1.10Å | |
CAA | HAAA | sing | 1.09Å | 1.10Å | |
CAA | HAAB | sing | 1.09Å | 1.10Å | |
CAV | CAB | sing | 1.51Å | 1.53Å | |
CAB | HAB | sing | 1.09Å | 1.10Å | |
CAB | HABA | sing | 1.09Å | 1.10Å | |
CAB | HABB | sing | 1.09Å | 1.10Å | |
NBE | CAC | sing | 1.46Å | 1.49Å | |
CAC | HAC | sing | 1.09Å | 1.10Å | |
CAC | HACA | sing | 1.09Å | 1.10Å | |
CAC | HACB | sing | 1.09Å | 1.10Å | |
OAD | SBF | doub | 1.42Å | 1.50Å | |
SBF | OAE | doub | 1.42Å | 1.44Å | |
CLF | CAW | sing | 1.74Å | 1.73Å | |
CAX | CLG | sing | 1.74Å | 1.73Å | |
CAI | CAH | doub | 1.38Å | 1.39Å | Aromatic |
CAH | NAQ | sing | 1.32Å | 1.32Å | Aromatic |
CAH | HAH | sing | 1.08Å | 1.08Å | |
CAI | CAY | sing | 1.40Å | 1.40Å | Aromatic |
CAI | HAI | sing | 1.08Å | 1.08Å | |
CAW | CAJ | doub | 1.38Å | 1.39Å | Aromatic |
CAJ | CAZ | sing | 1.39Å | 1.40Å | Aromatic |
CAJ | HAJ | sing | 1.08Å | 1.08Å | |
CAX | CAK | sing | 1.38Å | 1.39Å | Aromatic |
CAZ | CAK | doub | 1.39Å | 1.40Å | Aromatic |
CAK | HAK | sing | 1.08Å | 1.08Å | |
CAY | CAL | doub | 1.39Å | 1.39Å | Aromatic |
CAL | CBA | sing | 1.39Å | 1.40Å | Aromatic |
CAL | HAL | sing | 1.08Å | 1.08Å | |
CAO | CAM | sing | 1.53Å | 1.53Å | |
CAM | NAS | sing | 1.47Å | 1.47Å | |
CAM | HAM | sing | 1.09Å | 1.10Å | |
CAM | HAMA | sing | 1.09Å | 1.10Å | |
CAP | CAN | sing | 1.53Å | 1.54Å | |
CAN | NAS | sing | 1.47Å | 1.47Å | |
CAN | HAN | sing | 1.09Å | 1.10Å | |
CAN | HANA | sing | 1.09Å | 1.10Å | |
NBD | CAO | sing | 1.47Å | 1.50Å | |
CAO | HAO | sing | 1.09Å | 1.10Å | |
CAO | HAOA | sing | 1.09Å | 1.10Å | |
NBD | CAP | sing | 1.47Å | 1.50Å | |
CAP | HAP | sing | 1.09Å | 1.10Å | |
CAP | HAPA | sing | 1.09Å | 1.10Å | |
NAQ | CBA | doub | 1.32Å | 1.35Å | Aromatic |
CAU | NAR | doub | 1.31Å | 1.34Å | Aromatic |
NAR | NBE | sing | 1.40Å | 1.24Å | Aromatic |
NAS | HNAS | sing | 1.01Å | 1.00Å | |
NAT | CBB | sing | 1.41Å | 1.35Å | |
NAT | SBF | sing | 1.66Å | 1.66Å | |
NAT | HNAT | sing | 0.97Å | 1.00Å | |
CBB | CAU | sing | 1.40Å | 1.39Å | Aromatic |
CBB | CAV | doub | 1.36Å | 1.39Å | Aromatic |
CAV | NBE | sing | 1.36Å | 1.34Å | Aromatic |
CAW | CBC | sing | 1.38Å | 1.40Å | Aromatic |
CBC | CAX | doub | 1.38Å | 1.39Å | Aromatic |
CAZ | CAY | sing | 1.48Å | 1.39Å | |
CBA | NBD | sing | 1.39Å | 1.41Å | |
SBF | CBC | sing | 1.76Å | 1.75Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
CAU | CAA | HAA | 109.5° | 109.5° |
CAU | CAA | HAAA | 109.5° | 109.5° |
CAU | CAA | HAAB | 109.4° | 109.5° |
CAA | CAU | NAR | 124.1° | 125.8° |
CAA | CAU | CBB | 126.8° | 125.8° |
HAA | CAA | HAAA | 109.5° | 109.4° |
HAA | CAA | HAAB | 109.5° | 109.4° |
HAAA | CAA | HAAB | 109.5° | 109.4° |
CAV | CAB | HAB | 109.5° | 109.5° |
CAV | CAB | HABA | 109.4° | 109.5° |
CAV | CAB | HABB | 109.5° | 109.5° |
CAB | CAV | CBB | 127.7° | 126.2° |
CAB | CAV | NBE | 124.7° | 126.2° |
HAB | CAB | HABA | 109.4° | 109.4° |
HAB | CAB | HABB | 109.5° | 109.5° |
HABA | CAB | HABB | 109.5° | 109.4° |
NBE | CAC | HAC | 109.5° | 109.4° |
NBE | CAC | HACA | 109.5° | 109.5° |
NBE | CAC | HACB | 109.4° | 109.4° |
CAC | NBE | NAR | 122.7° | 126.1° |
CAC | NBE | CAV | 125.8° | 126.1° |
HAC | CAC | HACA | 109.5° | 109.5° |
HAC | CAC | HACB | 109.5° | 109.5° |
HACA | CAC | HACB | 109.5° | 109.5° |
OAD | SBF | OAE | 110.3° | 123.2° |
OAD | SBF | NAT | 108.8° | 106.4° |
OAD | SBF | CBC | 110.3° | 106.4° |
OAE | SBF | NAT | 110.0° | 106.4° |
OAE | SBF | CBC | 111.2° | 106.4° |
CLF | CAW | CAJ | 119.0° | 119.9° |
CLF | CAW | CBC | 120.7° | 119.9° |
CLG | CAX | CAK | 120.0° | 120.0° |
CLG | CAX | CBC | 120.4° | 120.0° |
CAI | CAH | NAQ | 120.4° | 121.0° |
CAI | CAH | HAH | 119.8° | 119.5° |
CAH | CAI | CAY | 119.7° | 119.2° |
CAH | CAI | HAI | 120.1° | 120.4° |
NAQ | CAH | HAH | 119.8° | 119.5° |
CAH | NAQ | CBA | 122.0° | 121.9° |
CAY | CAI | HAI | 120.2° | 120.4° |
CAI | CAY | CAL | 118.5° | 118.3° |
CAI | CAY | CAZ | 119.4° | 120.8° |
CAW | CAJ | CAZ | 120.0° | 119.9° |
CAW | CAJ | HAJ | 120.0° | 120.1° |
CAJ | CAW | CBC | 120.3° | 120.1° |
CAZ | CAJ | HAJ | 120.0° | 120.0° |
CAJ | CAZ | CAK | 119.5° | 119.7° |
CAJ | CAZ | CAY | 121.2° | 120.1° |
CAX | CAK | CAZ | 120.7° | 119.9° |
CAX | CAK | HAK | 119.6° | 120.0° |
CAK | CAX | CBC | 119.6° | 120.1° |
CAZ | CAK | HAK | 119.6° | 120.1° |
CAK | CAZ | CAY | 119.2° | 120.1° |
CAY | CAL | CBA | 119.4° | 119.0° |
CAY | CAL | HAL | 120.3° | 120.5° |
CAL | CAY | CAZ | 121.7° | 120.9° |
CBA | CAL | HAL | 120.3° | 120.5° |
CAL | CBA | NAQ | 119.9° | 120.7° |
CAL | CBA | NBD | 119.7° | 119.7° |
CAO | CAM | NAS | 108.1° | 109.4° |
CAO | CAM | HAM | 109.9° | 109.5° |
CAO | CAM | HAMA | 109.9° | 109.5° |
CAM | CAO | NBD | 112.0° | 109.4° |
CAM | CAO | HAO | 108.6° | 109.5° |
CAM | CAO | HAOA | 108.7° | 109.5° |
NAS | CAM | HAM | 109.9° | 109.5° |
NAS | CAM | HAMA | 109.9° | 109.5° |
CAM | NAS | CAN | 109.1° | 110.9° |
CAM | NAS | HNAS | 109.6° | 111.0° |
HAM | CAM | HAMA | 109.1° | 109.5° |
CAP | CAN | NAS | 111.2° | 109.3° |
CAP | CAN | HAN | 108.9° | 109.5° |
CAP | CAN | HANA | 108.9° | 109.5° |
CAN | CAP | NBD | 114.1° | 109.4° |
CAN | CAP | HAP | 108.0° | 109.5° |
CAN | CAP | HAPA | 108.0° | 109.5° |
NAS | CAN | HAN | 108.9° | 109.5° |
NAS | CAN | HANA | 108.9° | 109.5° |
CAN | NAS | HNAS | 109.6° | 111.0° |
HAN | CAN | HANA | 110.0° | 109.5° |
NBD | CAO | HAO | 108.6° | 109.5° |
NBD | CAO | HAOA | 108.6° | 109.5° |
CAO | NBD | CAP | 123.7° | 110.9° |
CAO | NBD | CBA | 118.1° | 111.0° |
HAO | CAO | HAOA | 110.3° | 109.5° |
NBD | CAP | HAP | 108.0° | 109.5° |
NBD | CAP | HAPA | 108.0° | 109.5° |
CAP | NBD | CBA | 118.1° | 111.0° |
HAP | CAP | HAPA | 110.9° | 109.5° |
NAQ | CBA | NBD | 120.4° | 119.7° |
CAU | NAR | NBE | 109.2° | 108.3° |
NAR | CAU | CBB | 109.1° | 108.4° |
NAR | NBE | CAV | 111.6° | 107.9° |
CBB | NAT | SBF | 125.2° | 120.0° |
CBB | NAT | HNAT | 104.5° | 120.0° |
NAT | CBB | CAU | 127.1° | 126.0° |
NAT | CBB | CAV | 130.3° | 126.1° |
SBF | NAT | HNAT | 104.5° | 120.0° |
NAT | SBF | CBC | 106.1° | 107.2° |
CAU | CBB | CAV | 102.6° | 107.9° |
CBB | CAV | NBE | 107.5° | 107.6° |
CAW | CBC | CAX | 120.0° | 120.2° |
CAW | CBC | SBF | 120.5° | 119.9° |
CAX | CBC | SBF | 119.4° | 119.9° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
CAU | CAA | HAA | HAAA | 120.0° | 120.0° |
CAU | CAA | HAA | HAAB | 120.0° | 120.1° |
CAU | CAA | HAAA | HAAB | 120.0° | 120.1° |
CAA | CAU | NAR | CBB | 179.2° | 180.0° |
CAA | CAU | NAR | NBE | 179.6° | 180.0° |
CAA | CAU | CBB | NAT | 1.6° | 0.1° |
CAA | CAU | CBB | CAV | 179.9° | 180.0° |
HAA | CAA | HAAA | HAAB | 120.0° | 119.9° |
HAA | CAA | CAU | NAR | 0.0° | 84.9° |
HAA | CAA | CAU | CBB | 179.0° | 95.1° |
HAAA | CAA | CAU | NAR | 120.0° | 155.2° |
HAAA | CAA | CAU | CBB | 61.0° | 24.9° |
HAAB | CAA | CAU | NAR | 120.0° | 35.2° |
HAAB | CAA | CAU | CBB | 59.0° | 144.9° |
CAV | CAB | HAB | HABA | 120.0° | 120.0° |
CAV | CAB | HAB | HABB | 120.0° | 120.1° |
CAV | CAB | HABA | HABB | 120.0° | 120.0° |
CAB | CAV | NBE | CAC | 0.2° | 0.1° |
CAB | CAV | NBE | NAR | 180.0° | 179.9° |
CAB | CAV | CBB | NAT | 1.4° | 0.0° |
CAB | CAV | CBB | CAU | 179.8° | 179.9° |
CAB | CAV | CBB | NBE | 179.4° | 179.9° |
HAB | CAB | HABA | HABB | 120.0° | 120.0° |
HAB | CAB | CAV | CBB | 90.4° | 89.9° |
HAB | CAB | CAV | NBE | 90.3° | 90.0° |
HABA | CAB | CAV | CBB | 149.6° | 30.0° |
HABA | CAB | CAV | NBE | 29.6° | 150.0° |
HABB | CAB | CAV | CBB | 29.6° | 150.0° |
HABB | CAB | CAV | NBE | 149.7° | 30.1° |
NBE | CAC | HAC | HACA | 120.0° | 120.0° |
NBE | CAC | HAC | HACB | 120.0° | 119.9° |
NBE | CAC | HACA | HACB | 120.0° | 120.0° |
CAC | NBE | NAR | CAU | 179.9° | 180.0° |
CAC | NBE | NAR | CAV | 179.9° | 180.0° |
CAC | NBE | CAV | CBB | 179.6° | 180.0° |
HAC | CAC | HACA | HACB | 120.0° | 120.0° |
HAC | CAC | NBE | NAR | 0.0° | 90.0° |
HAC | CAC | NBE | CAV | 179.9° | 90.0° |
HACA | CAC | NBE | NAR | 120.0° | 150.0° |
HACA | CAC | NBE | CAV | 60.1° | 30.0° |
HACB | CAC | NBE | NAR | 120.0° | 29.9° |
HACB | CAC | NBE | CAV | 59.8° | 150.1° |
OAD | SBF | OAE | NAT | 120.1° | 122.9° |
OAD | SBF | OAE | CBC | 122.7° | 123.0° |
OAD | SBF | NAT | CBB | 169.3° | 179.7° |
OAD | SBF | NAT | CBC | 118.7° | 113.6° |
OAD | SBF | NAT | HNAT | 70.7° | 0.2° |
OAD | SBF | CBC | CAW | 27.3° | 29.2° |
OAD | SBF | CBC | CAX | 155.8° | 150.8° |
OAE | SBF | NAT | CBB | 69.7° | 47.4° |
OAE | SBF | NAT | CBC | 120.3° | 113.5° |
OAE | SBF | NAT | HNAT | 50.3° | 132.7° |
OAE | SBF | CBC | CAW | 150.1° | 162.2° |
OAE | SBF | CBC | CAX | 33.0° | 17.8° |
CLF | CAW | CAJ | CBC | 179.6° | 180.0° |
CLF | CAW | CAJ | CAZ | 179.2° | 180.0° |
CLF | CAW | CAJ | HAJ | 0.8° | 0.2° |
CLF | CAW | CBC | CAX | 179.3° | 180.0° |
CLF | CAW | CBC | SBF | 2.4° | 0.0° |
CLG | CAX | CAK | CBC | 179.6° | 180.0° |
CLG | CAX | CAK | CAZ | 178.9° | 179.5° |
CLG | CAX | CAK | HAK | 1.1° | 0.0° |
CLG | CAX | CBC | CAW | 179.5° | 179.7° |
CLG | CAX | CBC | SBF | 2.5° | 0.3° |
CAI | CAH | NAQ | HAH | 180.0° | 179.7° |
CAH | CAI | CAY | HAI | 180.0° | 180.0° |
CAH | CAI | CAY | CAL | 3.1° | 0.0° |
CAI | CAH | NAQ | CBA | 0.3° | 0.2° |
CAH | CAI | CAY | CAZ | 177.0° | 179.9° |
NAQ | CAH | CAI | CAY | 1.4° | 0.0° |
NAQ | CAH | CAI | HAI | 178.6° | 180.0° |
CAH | NAQ | CBA | CAL | 0.2° | 0.5° |
CAH | NAQ | CBA | NBD | 179.6° | 180.0° |
HAH | CAH | CAI | CAY | 178.6° | 179.7° |
HAH | CAH | CAI | HAI | 1.4° | 0.4° |
HAH | CAH | NAQ | CBA | 179.7° | 179.9° |
CAI | CAY | CAZ | CAJ | 23.5° | 0.0° |
CAI | CAY | CAZ | CAK | 151.9° | 180.0° |
CAI | CAY | CAL | CAZ | 173.8° | 180.0° |
CAI | CAY | CAL | CBA | 3.1° | 0.3° |
CAI | CAY | CAL | HAL | 176.9° | 179.7° |
HAI | CAI | CAY | CAL | 176.9° | 180.0° |
HAI | CAI | CAY | CAZ | 3.0° | 0.0° |
CAW | CAJ | CAZ | HAJ | 180.0° | 179.8° |
CAW | CAJ | CAZ | CAK | 1.9° | 0.2° |
CAJ | CAW | CBC | CAX | 1.1° | 0.0° |
CAW | CAJ | CAZ | CAY | 177.3° | 179.7° |
CAJ | CAW | CBC | SBF | 178.0° | 180.0° |
CAJ | CAZ | CAK | CAX | 2.1° | 0.5° |
CAJ | CAZ | CAK | CAY | 175.4° | 179.9° |
CAJ | CAZ | CAK | HAK | 177.9° | 179.9° |
CAJ | CAZ | CAY | CAL | 162.8° | 180.0° |
CAZ | CAJ | CAW | CBC | 0.4° | 0.0° |
HAJ | CAJ | CAZ | CAK | 178.1° | 180.0° |
HAJ | CAJ | CAW | CBC | 179.6° | 179.8° |
HAJ | CAJ | CAZ | CAY | 2.7° | 0.1° |
CAX | CAK | CAZ | HAK | 180.0° | 179.5° |
CAK | CAX | CBC | CAW | 0.9° | 0.2° |
CAX | CAK | CAZ | CAY | 177.5° | 179.4° |
CAK | CAX | CBC | SBF | 177.8° | 179.7° |
CAK | CAZ | CAY | CAL | 21.9° | 0.0° |
CAZ | CAK | CAX | CBC | 0.7° | 0.5° |
HAK | CAK | CAX | CBC | 179.3° | 179.9° |
HAK | CAK | CAZ | CAY | 2.4° | 0.0° |
CAY | CAL | CBA | HAL | 180.0° | 179.4° |
CAY | CAL | CBA | NAQ | 1.5° | 0.5° |
CAY | CAL | CBA | NBD | 178.6° | 180.0° |
CAL | CBA | NBD | CAO | 4.5° | 180.0° |
CAL | CBA | NBD | CAP | 176.7° | 56.2° |
CAL | CBA | NAQ | NBD | 179.8° | 179.5° |
CBA | CAL | CAY | CAZ | 176.9° | 179.7° |
HAL | CAL | CBA | NAQ | 178.5° | 179.9° |
HAL | CAL | CAY | CAZ | 3.1° | 0.3° |
HAL | CAL | CBA | NBD | 1.4° | 0.6° |
CAO | CAM | NAS | HAM | 120.0° | 120.0° |
CAO | CAM | NAS | HAMA | 120.0° | 119.9° |
CAO | CAM | HAM | HAMA | 120.6° | 120.0° |
CAO | CAM | NAS | CAN | 73.8° | 59.3° |
CAM | CAO | NBD | HAO | 120.0° | 120.0° |
CAM | CAO | NBD | HAOA | 120.0° | 119.9° |
CAM | CAO | HAO | HAOA | 119.0° | 120.0° |
CAM | CAO | NBD | CAP | 9.7° | 59.3° |
CAO | CAM | NAS | HNAS | 46.2° | 64.6° |
CAM | CAO | NBD | CBA | 171.5° | 176.8° |
NAS | CAM | HAM | HAMA | 120.5° | 120.0° |
CAM | NAS | CAN | CAP | 63.9° | 59.3° |
CAM | NAS | CAN | HNAS | 120.0° | 123.9° |
CAM | NAS | CAN | HAN | 56.1° | 60.6° |
CAM | NAS | CAN | HANA | 176.1° | 179.3° |
NAS | CAM | CAO | NBD | 44.2° | 58.4° |
NAS | CAM | CAO | HAO | 164.2° | 178.3° |
NAS | CAM | CAO | HAOA | 75.8° | 61.6° |
HAM | CAM | NAS | CAN | 166.2° | 179.3° |
HAM | CAM | CAO | NBD | 164.2° | 178.4° |
HAM | CAM | CAO | HAO | 75.9° | 61.7° |
HAM | CAM | CAO | HAOA | 44.1° | 58.4° |
HAM | CAM | NAS | HNAS | 73.8° | 55.4° |
HAMA | CAM | NAS | CAN | 46.2° | 60.6° |
HAMA | CAM | CAO | NBD | 75.8° | 61.6° |
HAMA | CAM | CAO | HAO | 44.2° | 58.4° |
HAMA | CAM | CAO | HAOA | 164.2° | 178.5° |
HAMA | CAM | NAS | HNAS | 166.2° | 175.5° |
CAP | CAN | NAS | HAN | 120.0° | 120.0° |
CAP | CAN | NAS | HANA | 120.0° | 120.0° |
CAP | CAN | HAN | HANA | 119.3° | 120.0° |
CAN | CAP | NBD | CAO | 0.5° | 59.3° |
CAN | CAP | NBD | HAP | 120.0° | 120.0° |
CAN | CAP | NBD | HAPA | 120.0° | 120.0° |
CAN | CAP | HAP | HAPA | 118.1° | 120.0° |
CAP | CAN | NAS | HNAS | 56.1° | 64.5° |
CAN | CAP | NBD | CBA | 179.3° | 176.8° |
NAS | CAN | HAN | HANA | 119.3° | 120.1° |
NAS | CAN | CAP | NBD | 26.2° | 58.4° |
NAS | CAN | CAP | HAP | 93.9° | 61.6° |
NAS | CAN | CAP | HAPA | 146.2° | 178.4° |
HAN | CAN | CAP | NBD | 93.8° | 61.6° |
HAN | CAN | CAP | HAP | 146.2° | 178.5° |
HAN | CAN | CAP | HAPA | 26.2° | 58.4° |
HAN | CAN | NAS | HNAS | 176.1° | 175.5° |
HANA | CAN | CAP | NBD | 146.2° | 178.4° |
HANA | CAN | CAP | HAP | 26.2° | 58.4° |
HANA | CAN | CAP | HAPA | 93.8° | 61.6° |
HANA | CAN | NAS | HNAS | 63.9° | 55.4° |
NBD | CAO | HAO | HAOA | 119.0° | 120.0° |
CAO | NBD | CAP | CBA | 178.7° | 123.9° |
CAO | NBD | CAP | HAP | 119.5° | 60.7° |
CAO | NBD | CAP | HAPA | 120.5° | 179.3° |
CAO | NBD | CBA | NAQ | 175.3° | 0.5° |
HAO | CAO | NBD | CAP | 129.7° | 179.3° |
HAO | CAO | NBD | CBA | 51.5° | 56.8° |
HAOA | CAO | NBD | CAP | 110.3° | 60.6° |
HAOA | CAO | NBD | CBA | 68.5° | 63.2° |
NBD | CAP | HAP | HAPA | 118.1° | 120.1° |
CAP | NBD | CBA | NAQ | 3.5° | 123.3° |
HAP | CAP | NBD | CBA | 59.3° | 63.2° |
HAPA | CAP | NBD | CBA | 60.7° | 56.8° |
NAR | CAU | CBB | NAT | 179.2° | 180.0° |
NAR | CAU | CBB | CAV | 0.8° | 0.1° |
CAU | NAR | NBE | CAV | 0.1° | 0.1° |
NBE | NAR | CAU | CBB | 0.5° | 0.1° |
NAR | NBE | CAV | CBB | 0.6° | 0.0° |
CBB | NAT | SBF | HNAT | 120.0° | 179.9° |
NAT | CBB | CAU | CAV | 178.5° | 179.9° |
NAT | CBB | CAV | NBE | 179.2° | 179.9° |
CBB | NAT | SBF | CBC | 50.6° | 66.2° |
SBF | NAT | CBB | CAU | 101.2° | 59.7° |
SBF | NAT | CBB | CAV | 80.8° | 120.4° |
NAT | SBF | CBC | CAW | 90.4° | 84.3° |
NAT | SBF | CBC | CAX | 86.6° | 95.7° |
HNAT | NAT | CBB | CAU | 18.8° | 120.4° |
HNAT | NAT | CBB | CAV | 159.3° | 59.5° |
HNAT | NAT | SBF | CBC | 170.6° | 113.7° |
CAU | CBB | CAV | NBE | 0.8° | 0.0° |
CAW | CBC | CAX | SBF | 176.9° | 180.0° |