ELV
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
CAA | OAR | sing | 1.43Å | 1.47Å | |
CAA | HAA | sing | 1.09Å | 1.10Å | |
CAA | HAAA | sing | 1.09Å | 1.10Å | |
CAA | HAAB | sing | 1.09Å | 1.10Å | |
CAB | CBC | sing | 1.53Å | 1.58Å | |
CAB | HAB | sing | 1.09Å | 1.10Å | |
CAB | HABA | sing | 1.09Å | 1.10Å | |
CAB | HABB | sing | 1.09Å | 1.10Å | |
CBC | CAC | sing | 1.53Å | 1.56Å | |
CAC | HAC | sing | 1.09Å | 1.10Å | |
CAC | HACA | sing | 1.09Å | 1.10Å | |
CAC | HACB | sing | 1.09Å | 1.10Å | |
CAS | OAD | sing | 1.35Å | 1.25Å | |
OAD | HOAD | sing | 0.97Å | 0.95Å | |
CAZ | OAE | doub | 1.22Å | 1.25Å | |
CAP | OAF | sing | 1.43Å | 1.40Å | |
OAF | HOAF | sing | 0.97Å | 0.95Å | |
CAS | OAG | doub | 1.22Å | 1.23Å | |
FAH | CAU | sing | 1.35Å | 1.34Å | |
CAT | CLAI | sing | 1.74Å | 1.69Å | |
CAL | CAJ | doub | 1.38Å | 1.39Å | Aromatic |
CAJ | CAK | sing | 1.38Å | 1.37Å | Aromatic |
CAJ | HAJ | sing | 1.08Å | 1.08Å | |
CAT | CAK | doub | 1.38Å | 1.37Å | Aromatic |
CAK | HAK | sing | 1.08Å | 1.08Å | |
CAV | CAL | sing | 1.38Å | 1.38Å | Aromatic |
CAL | HAL | sing | 1.08Å | 1.08Å | |
CAW | CAM | doub | 1.37Å | 1.39Å | Aromatic |
CAM | CBA | sing | 1.40Å | 1.40Å | Aromatic |
CAM | HAM | sing | 1.08Å | 1.08Å | |
CAX | CAN | doub | 1.38Å | 1.42Å | Aromatic |
CAN | CBB | sing | 1.39Å | 1.41Å | Aromatic |
CAN | HAN | sing | 1.08Å | 1.08Å | |
NBE | CAO | sing | 1.34Å | 1.40Å | |
CAO | CAY | doub | 1.38Å | 1.39Å | |
CAO | HAO | sing | 1.08Å | 1.08Å | |
CAP | CBD | sing | 1.53Å | 1.52Å | |
CAP | HAP | sing | 1.09Å | 1.10Å | |
CAP | HAPA | sing | 1.09Å | 1.10Å | |
CAQ | CAW | sing | 1.51Å | 1.51Å | |
CAQ | CAV | sing | 1.51Å | 1.52Å | |
CAQ | HAQ | sing | 1.09Å | 1.10Å | |
CAQ | HAQA | sing | 1.09Å | 1.10Å | |
OAR | CAX | sing | 1.36Å | 1.40Å | |
CAY | CAS | sing | 1.47Å | 1.54Å | |
CAU | CAT | sing | 1.39Å | 1.42Å | Aromatic |
CAV | CAU | doub | 1.38Å | 1.40Å | Aromatic |
CAX | CAW | sing | 1.39Å | 1.39Å | Aromatic |
CAZ | CAY | sing | 1.47Å | 1.42Å | |
CBA | CAZ | sing | 1.47Å | 1.43Å | |
CBB | CBA | doub | 1.41Å | 1.41Å | Aromatic |
CBB | NBE | sing | 1.38Å | 1.44Å | |
CBC | CBD | sing | 1.53Å | 1.57Å | |
CBC | HBC | sing | 1.09Å | 1.10Å | |
CBD | NBE | sing | 1.46Å | 1.49Å | |
CBD | HBD | sing | 1.09Å | 1.10Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
OAR | CAA | HAA | 109.5° | 109.5° |
OAR | CAA | HAAA | 109.5° | 109.5° |
OAR | CAA | HAAB | 109.4° | 109.5° |
CAA | OAR | CAX | 118.3° | 117.0° |
HAA | CAA | HAAA | 109.5° | 109.5° |
HAA | CAA | HAAB | 109.5° | 109.5° |
HAAA | CAA | HAAB | 109.5° | 109.5° |
CBC | CAB | HAB | 109.5° | 109.5° |
CBC | CAB | HABA | 109.4° | 109.5° |
CBC | CAB | HABB | 109.5° | 109.5° |
CAB | CBC | CAC | 111.8° | 109.5° |
CAB | CBC | CBD | 114.8° | 109.5° |
CAB | CBC | HBC | 104.4° | 109.4° |
HAB | CAB | HABA | 109.4° | 109.5° |
HAB | CAB | HABB | 109.5° | 109.4° |
HABA | CAB | HABB | 109.5° | 109.4° |
CBC | CAC | HAC | 109.5° | 109.5° |
CBC | CAC | HACA | 109.5° | 109.5° |
CBC | CAC | HACB | 109.5° | 109.5° |
CAC | CBC | CBD | 111.0° | 109.5° |
CAC | CBC | HBC | 108.8° | 109.4° |
HAC | CAC | HACA | 109.5° | 109.5° |
HAC | CAC | HACB | 109.5° | 109.5° |
HACA | CAC | HACB | 109.4° | 109.5° |
CAS | OAD | HOAD | 109.5° | 117.0° |
OAD | CAS | OAG | 122.7° | 120.0° |
OAD | CAS | CAY | 121.7° | 120.0° |
OAE | CAZ | CAY | 121.5° | 121.3° |
OAE | CAZ | CBA | 120.4° | 121.4° |
CAP | OAF | HOAF | 109.5° | 114.0° |
OAF | CAP | CBD | 105.8° | 109.4° |
OAF | CAP | HAP | 110.7° | 109.4° |
OAF | CAP | HAPA | 110.7° | 109.5° |
OAG | CAS | CAY | 115.6° | 120.1° |
FAH | CAU | CAT | 121.6° | 120.0° |
FAH | CAU | CAV | 121.1° | 120.1° |
CLAI | CAT | CAK | 106.1° | 120.1° |
CLAI | CAT | CAU | 128.7° | 120.0° |
CAL | CAJ | CAK | 119.9° | 120.1° |
CAL | CAJ | HAJ | 120.1° | 120.0° |
CAJ | CAL | CAV | 124.2° | 120.1° |
CAJ | CAL | HAL | 117.9° | 120.0° |
CAK | CAJ | HAJ | 120.0° | 119.9° |
CAJ | CAK | CAT | 116.4° | 120.0° |
CAJ | CAK | HAK | 121.8° | 120.0° |
CAT | CAK | HAK | 121.8° | 119.9° |
CAK | CAT | CAU | 125.2° | 119.9° |
CAV | CAL | HAL | 117.9° | 120.0° |
CAL | CAV | CAQ | 109.3° | 120.0° |
CAL | CAV | CAU | 116.9° | 120.0° |
CAW | CAM | CBA | 124.2° | 119.8° |
CAW | CAM | HAM | 117.9° | 120.1° |
CAM | CAW | CAQ | 117.3° | 119.8° |
CAM | CAW | CAX | 118.6° | 120.4° |
CBA | CAM | HAM | 117.9° | 120.1° |
CAM | CBA | CAZ | 119.9° | 121.1° |
CAM | CBA | CBB | 117.8° | 120.3° |
CAX | CAN | CBB | 122.8° | 119.8° |
CAX | CAN | HAN | 118.6° | 120.1° |
CAN | CAX | OAR | 122.1° | 119.7° |
CAN | CAX | CAW | 118.4° | 120.6° |
CBB | CAN | HAN | 118.6° | 120.1° |
CAN | CBB | CBA | 118.3° | 119.2° |
CAN | CBB | NBE | 123.6° | 120.5° |
NBE | CAO | CAY | 123.0° | 122.2° |
NBE | CAO | HAO | 118.5° | 118.9° |
CAO | NBE | CBB | 118.7° | 122.8° |
CAO | NBE | CBD | 113.4° | 118.6° |
CAY | CAO | HAO | 118.5° | 118.9° |
CAO | CAY | CAS | 113.1° | 120.5° |
CAO | CAY | CAZ | 119.8° | 118.9° |
CBD | CAP | HAP | 110.7° | 109.5° |
CBD | CAP | HAPA | 110.7° | 109.5° |
CAP | CBD | CBC | 113.1° | 109.5° |
CAP | CBD | NBE | 116.2° | 109.5° |
CAP | CBD | HBD | 101.2° | 109.5° |
HAP | CAP | HAPA | 108.2° | 109.5° |
CAW | CAQ | CAV | 99.6° | 109.5° |
CAW | CAQ | HAQ | 112.9° | 109.5° |
CAW | CAQ | HAQA | 112.9° | 109.5° |
CAQ | CAW | CAX | 124.2° | 119.8° |
CAV | CAQ | HAQ | 112.9° | 109.5° |
CAV | CAQ | HAQA | 112.9° | 109.5° |
CAQ | CAV | CAU | 133.8° | 120.0° |
HAQ | CAQ | HAQA | 105.9° | 109.4° |
OAR | CAX | CAW | 119.5° | 119.7° |
CAS | CAY | CAZ | 127.1° | 120.6° |
CAT | CAU | CAV | 117.3° | 119.9° |
CAY | CAZ | CBA | 118.0° | 117.2° |
CAZ | CBA | CBB | 122.3° | 118.6° |
CBA | CBB | NBE | 118.1° | 120.3° |
CBB | NBE | CBD | 127.9° | 118.6° |
CBD | CBC | HBC | 105.4° | 109.5° |
CBC | CBD | NBE | 107.5° | 109.5° |
CBC | CBD | HBD | 111.1° | 109.4° |
NBE | CBD | HBD | 107.5° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
OAR | CAA | HAA | HAAA | 120.0° | 120.0° |
OAR | CAA | HAA | HAAB | 120.0° | 120.0° |
OAR | CAA | HAAA | HAAB | 119.9° | 120.0° |
CAA | OAR | CAX | CAN | 122.3° | 0.0° |
CAA | OAR | CAX | CAW | 57.7° | 180.0° |
HAA | CAA | HAAA | HAAB | 120.0° | 120.0° |
HAA | CAA | OAR | CAX | 180.0° | 60.0° |
HAAA | CAA | OAR | CAX | 60.0° | 60.0° |
HAAB | CAA | OAR | CAX | 60.0° | 180.0° |
CBC | CAB | HAB | HABA | 120.0° | 120.0° |
CBC | CAB | HAB | HABB | 120.0° | 120.0° |
CBC | CAB | HABA | HABB | 120.0° | 120.0° |
CAB | CBC | CAC | CBD | 129.7° | 120.1° |
CAB | CBC | CAC | HBC | 114.8° | 120.0° |
CAB | CBC | CAC | HAC | 180.0° | 180.0° |
CAB | CBC | CAC | HACA | 60.0° | 60.0° |
CAB | CBC | CAC | HACB | 60.0° | 60.1° |
CAB | CBC | CBD | CAP | 43.7° | 60.0° |
CAB | CBC | CBD | HBC | 114.3° | 120.0° |
CAB | CBC | CBD | NBE | 85.9° | 180.0° |
CAB | CBC | CBD | HBD | 156.7° | 60.0° |
HAB | CAB | HABA | HABB | 120.0° | 119.9° |
HAB | CAB | CBC | CAC | 180.0° | 60.0° |
HAB | CAB | CBC | CBD | 52.4° | 180.0° |
HAB | CAB | CBC | HBC | 62.5° | 60.0° |
HABA | CAB | CBC | CAC | 60.0° | 180.0° |
HABA | CAB | CBC | CBD | 172.4° | 60.0° |
HABA | CAB | CBC | HBC | 57.5° | 60.1° |
HABB | CAB | CBC | CAC | 60.0° | 60.0° |
HABB | CAB | CBC | CBD | 67.6° | 60.0° |
HABB | CAB | CBC | HBC | 177.5° | 180.0° |
CBC | CAC | HAC | HACA | 120.0° | 120.0° |
CBC | CAC | HAC | HACB | 120.0° | 120.0° |
CBC | CAC | HACA | HACB | 120.0° | 120.0° |
CAC | CBC | CBD | CAP | 171.8° | 180.0° |
CAC | CBC | CBD | HBC | 117.6° | 120.0° |
CAC | CBC | CBD | NBE | 42.2° | 60.0° |
CAC | CBC | CBD | HBD | 75.2° | 60.0° |
HAC | CAC | HACA | HACB | 120.0° | 120.0° |
HAC | CAC | CBC | CBD | 50.3° | 60.0° |
HAC | CAC | CBC | HBC | 65.2° | 60.0° |
HACA | CAC | CBC | CBD | 69.7° | 180.0° |
HACA | CAC | CBC | HBC | 174.8° | 60.0° |
HACB | CAC | CBC | CBD | 170.4° | 60.0° |
HACB | CAC | CBC | HBC | 54.8° | 180.0° |
OAD | CAS | OAG | CAY | 179.8° | 180.0° |
OAD | CAS | CAY | CAO | 164.1° | 180.0° |
OAD | CAS | CAY | CAZ | 15.8° | 0.0° |
HOAD | OAD | CAS | OAG | 0.0° | 0.0° |
HOAD | OAD | CAS | CAY | 179.8° | 180.0° |
OAE | CAZ | CBA | CAM | 0.0° | 0.4° |
OAE | CAZ | CAY | CAO | 180.0° | 180.0° |
OAE | CAZ | CAY | CAS | 0.0° | 0.0° |
OAE | CAZ | CAY | CBA | 180.0° | 178.7° |
OAE | CAZ | CBA | CBB | 180.0° | 179.6° |
OAF | CAP | CBD | HAP | 120.0° | 119.9° |
OAF | CAP | CBD | HAPA | 120.0° | 120.1° |
OAF | CAP | HAP | HAPA | 121.5° | 120.1° |
OAF | CAP | CBD | CBC | 154.6° | 55.0° |
OAF | CAP | CBD | NBE | 80.4° | 65.0° |
OAF | CAP | CBD | HBD | 35.7° | 174.9° |
HOAF | OAF | CAP | CBD | 180.0° | 180.0° |
HOAF | OAF | CAP | HAP | 60.0° | 60.1° |
HOAF | OAF | CAP | HAPA | 60.0° | 60.0° |
OAG | CAS | CAY | CAO | 15.6° | 0.0° |
OAG | CAS | CAY | CAZ | 164.4° | 180.0° |
FAH | CAU | CAT | CLAI | 0.0° | 0.1° |
FAH | CAU | CAT | CAK | 180.0° | 180.0° |
FAH | CAU | CAV | CAL | 180.0° | 179.8° |
FAH | CAU | CAV | CAQ | 0.1° | 0.3° |
FAH | CAU | CAT | CAV | 180.0° | 179.4° |
CLAI | CAT | CAK | CAJ | 180.0° | 180.0° |
CLAI | CAT | CAK | CAU | 180.0° | 179.9° |
CLAI | CAT | CAK | HAK | 0.0° | 0.1° |
CLAI | CAT | CAU | CAV | 180.0° | 179.5° |
CAL | CAJ | CAK | HAJ | 180.0° | 179.8° |
CAL | CAJ | CAK | CAT | 0.0° | 0.2° |
CAL | CAJ | CAK | HAK | 180.0° | 179.7° |
CAJ | CAL | CAV | HAL | 180.0° | 179.9° |
CAJ | CAL | CAV | CAQ | 180.0° | 179.9° |
CAJ | CAL | CAV | CAU | 0.1° | 0.6° |
CAJ | CAK | CAT | HAK | 180.0° | 180.0° |
CAK | CAJ | CAL | CAV | 0.1° | 0.1° |
CAK | CAJ | CAL | HAL | 179.9° | 180.0° |
CAJ | CAK | CAT | CAU | 0.0° | 0.0° |
HAJ | CAJ | CAK | CAT | 180.0° | 180.0° |
HAJ | CAJ | CAK | HAK | 0.0° | 0.0° |
HAJ | CAJ | CAL | CAV | 179.9° | 179.7° |
HAJ | CAJ | CAL | HAL | 0.1° | 0.2° |
CAK | CAT | CAU | CAV | 0.0° | 0.6° |
HAK | CAK | CAT | CAU | 180.0° | 180.0° |
CAL | CAV | CAQ | CAW | 67.1° | 100.0° |
CAL | CAV | CAQ | CAU | 179.9° | 179.5° |
CAL | CAV | CAQ | HAQ | 52.9° | 140.0° |
CAL | CAV | CAQ | HAQA | 172.9° | 20.0° |
CAL | CAV | CAU | CAT | 0.0° | 0.8° |
HAL | CAL | CAV | CAQ | 0.0° | 0.0° |
HAL | CAL | CAV | CAU | 179.9° | 179.5° |
CAW | CAM | CBA | HAM | 180.0° | 179.8° |
CAM | CAW | CAX | CAN | 0.0° | 0.0° |
CAM | CAW | CAQ | CAX | 180.0° | 180.0° |
CAM | CAW | CAQ | CAV | 49.2° | 95.0° |
CAM | CAW | CAQ | HAQ | 70.8° | 145.0° |
CAM | CAW | CAQ | HAQA | 169.2° | 25.0° |
CAM | CAW | CAX | OAR | 180.0° | 180.0° |
CAW | CAM | CBA | CAZ | 180.0° | 179.8° |
CAW | CAM | CBA | CBB | 0.1° | 0.2° |
CAM | CBA | CBB | CAN | 0.0° | 0.5° |
CBA | CAM | CAW | CAQ | 180.0° | 180.0° |
CBA | CAM | CAW | CAX | 0.1° | 0.1° |
CAM | CBA | CAZ | CAY | 180.0° | 179.1° |
CAM | CBA | CAZ | CBB | 180.0° | 180.0° |
CAM | CBA | CBB | NBE | 180.0° | 180.0° |
HAM | CAM | CAW | CAQ | 0.0° | 0.2° |
HAM | CAM | CAW | CAX | 179.9° | 179.7° |
HAM | CAM | CBA | CAZ | 0.0° | 0.0° |
HAM | CAM | CBA | CBB | 179.9° | 180.0° |
CAX | CAN | CBB | HAN | 180.0° | 179.4° |
CAN | CAX | CAW | CAQ | 180.0° | 180.0° |
CAN | CAX | OAR | CAW | 180.0° | 180.0° |
CAX | CAN | CBB | CBA | 0.0° | 0.5° |
CAX | CAN | CBB | NBE | 180.0° | 180.0° |
CAN | CBB | NBE | CAO | 180.0° | 180.0° |
CBB | CAN | CAX | OAR | 180.0° | 179.7° |
CBB | CAN | CAX | CAW | 0.0° | 0.3° |
CAN | CBB | CBA | CAZ | 180.0° | 179.5° |
CAN | CBB | CBA | NBE | 180.0° | 179.5° |
CAN | CBB | NBE | CBD | 0.1° | 0.0° |
HAN | CAN | CAX | OAR | 0.0° | 0.3° |
HAN | CAN | CAX | CAW | 180.0° | 179.7° |
HAN | CAN | CBB | CBA | 180.0° | 180.0° |
HAN | CAN | CBB | NBE | 0.0° | 0.5° |
NBE | CAO | CAY | HAO | 180.0° | 179.1° |
CAO | NBE | CBD | CAP | 127.5° | 66.1° |
NBE | CAO | CAY | CAS | 180.0° | 179.1° |
NBE | CAO | CAY | CAZ | 0.0° | 0.9° |
CAO | NBE | CBB | CBA | 0.0° | 0.5° |
CAO | NBE | CBB | CBD | 179.9° | 180.0° |
CAO | NBE | CBD | CBC | 104.7° | 54.0° |
CAO | NBE | CBD | HBD | 14.9° | 174.0° |
CAO | CAY | CAS | CAZ | 180.0° | 180.0° |
CAO | CAY | CAZ | CBA | 0.0° | 1.3° |
CAY | CAO | NBE | CBB | 0.0° | 0.0° |
CAY | CAO | NBE | CBD | 179.9° | 180.0° |
HAO | CAO | CAY | CAS | 0.0° | 0.1° |
HAO | CAO | CAY | CAZ | 180.0° | 180.0° |
HAO | CAO | NBE | CBB | 180.0° | 179.1° |
HAO | CAO | NBE | CBD | 0.0° | 0.9° |
CBD | CAP | HAP | HAPA | 121.5° | 120.0° |
CAP | CBD | NBE | CBB | 52.6° | 113.9° |
CAP | CBD | CBC | NBE | 129.6° | 120.0° |
CAP | CBD | CBC | HBD | 113.0° | 120.0° |
CAP | CBD | CBC | HBC | 70.6° | 60.0° |
CAP | CBD | NBE | HBD | 112.5° | 120.0° |
HAP | CAP | CBD | CBC | 85.4° | 64.9° |
HAP | CAP | CBD | NBE | 39.6° | 175.0° |
HAP | CAP | CBD | HBD | 155.7° | 55.0° |
HAPA | CAP | CBD | CBC | 34.6° | 175.1° |
HAPA | CAP | CBD | NBE | 159.6° | 55.0° |
HAPA | CAP | CBD | HBD | 84.3° | 65.0° |
CAW | CAQ | CAV | HAQ | 120.0° | 120.0° |
CAW | CAQ | CAV | HAQA | 120.0° | 120.1° |
CAW | CAQ | HAQ | HAQA | 124.0° | 120.0° |
CAQ | CAW | CAX | OAR | 0.0° | 0.0° |
CAW | CAQ | CAV | CAU | 113.0° | 79.4° |
CAV | CAQ | HAQ | HAQA | 124.0° | 120.0° |
CAQ | CAV | CAU | CAT | 179.9° | 179.7° |
CAV | CAQ | CAW | CAX | 130.7° | 85.0° |
HAQ | CAQ | CAV | CAU | 127.0° | 40.5° |
HAQ | CAQ | CAW | CAX | 109.3° | 35.0° |
HAQA | CAQ | CAV | CAU | 7.0° | 160.5° |
HAQA | CAQ | CAW | CAX | 10.8° | 154.9° |
CAS | CAY | CAZ | CBA | 180.0° | 178.6° |
CAY | CAZ | CBA | CBB | 0.0° | 0.9° |
CAZ | CBA | CBB | NBE | 0.0° | 0.0° |
CBA | CBB | NBE | CBD | 179.9° | 179.5° |
CBB | NBE | CBD | CBC | 75.2° | 126.0° |
CBB | NBE | CBD | HBD | 165.1° | 6.0° |
CBC | CBD | NBE | HBD | 119.7° | 120.0° |
HBC | CBC | CBD | NBE | 159.8° | 60.0° |
HBC | CBC | CBD | HBD | 42.4° | 180.0° |