8ZW
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
CAR | OAQ | sing | 1.43Å | 1.44Å | |
CAR | CAS | sing | 1.53Å | 1.53Å | |
OAQ | CAP | sing | 1.43Å | 1.44Å | |
CAS | NAN | sing | 1.47Å | 1.48Å | |
CAP | CAO | sing | 1.53Å | 1.52Å | |
NAN | CAO | sing | 1.47Å | 1.48Å | |
NAN | CAM | sing | 1.40Å | 1.35Å | |
CAL | CAM | doub | 1.39Å | 1.39Å | Aromatic |
CAL | CAK | sing | 1.39Å | 1.39Å | Aromatic |
NAJ | CAK | sing | 1.40Å | 1.36Å | |
NAJ | CAI | sing | 1.38Å | 1.35Å | |
CAM | CAT | sing | 1.39Å | 1.39Å | Aromatic |
NAH | CAI | doub | 1.30Å | 1.35Å | Aromatic |
NAH | CAG | sing | 1.31Å | 1.36Å | Aromatic |
CAK | CAZ | doub | 1.39Å | 1.39Å | Aromatic |
CAI | SBA | sing | 1.71Å | 1.69Å | Aromatic |
CAG | CAF | doub | 1.37Å | 1.35Å | Aromatic |
CAT | CAU | doub | 1.38Å | 1.39Å | Aromatic |
CAZ | CAU | sing | 1.38Å | 1.39Å | Aromatic |
CAF | SBA | sing | 1.76Å | 1.65Å | Aromatic |
CAF | CAE | sing | 1.46Å | 1.35Å | |
CAU | SAV | sing | 1.76Å | 1.74Å | |
CBD | CBC | sing | 1.51Å | 1.39Å | |
NAD | CAE | sing | 1.35Å | 1.35Å | |
NAD | CAC | sing | 1.40Å | 1.36Å | |
CAE | OBB | doub | 1.22Å | 1.23Å | |
CBC | CAC | doub | 1.39Å | 1.40Å | Aromatic |
CBC | CBE | sing | 1.38Å | 1.40Å | Aromatic |
CAC | CAB | sing | 1.39Å | 1.40Å | Aromatic |
SAV | OAW | doub | 1.42Å | 1.53Å | |
SAV | CAX | sing | 1.81Å | 1.78Å | |
SAV | OAY | doub | 1.42Å | 1.53Å | |
CBE | CBF | doub | 1.38Å | 1.39Å | Aromatic |
CAB | CLA | sing | 1.74Å | 1.73Å | |
CAB | CBG | doub | 1.38Å | 1.40Å | Aromatic |
CBF | CBG | sing | 1.38Å | 1.39Å | Aromatic |
CAO | H1 | sing | 1.09Å | 1.10Å | |
CAO | H2 | sing | 1.09Å | 1.10Å | |
CAP | H3 | sing | 1.09Å | 1.10Å | |
CAP | H4 | sing | 1.09Å | 1.10Å | |
CAR | H5 | sing | 1.09Å | 1.10Å | |
CAR | H6 | sing | 1.09Å | 1.10Å | |
CAS | H7 | sing | 1.09Å | 1.10Å | |
CAS | H8 | sing | 1.09Å | 1.10Å | |
CAL | H9 | sing | 1.08Å | 1.08Å | |
CAT | H10 | sing | 1.08Å | 1.08Å | |
CAX | H11 | sing | 1.09Å | 1.10Å | |
CAX | H12 | sing | 1.09Å | 1.10Å | |
CAX | H13 | sing | 1.09Å | 1.10Å | |
CAZ | H14 | sing | 1.08Å | 1.08Å | |
NAJ | H15 | sing | 0.97Å | 1.00Å | |
CAG | H16 | sing | 1.08Å | 1.08Å | |
NAD | H17 | sing | 0.97Å | 1.00Å | |
CBG | H18 | sing | 1.08Å | 1.08Å | |
CBF | H19 | sing | 1.08Å | 1.08Å | |
CBE | H20 | sing | 1.08Å | 1.08Å | |
CBD | H21 | sing | 1.09Å | 1.10Å | |
CBD | H22 | sing | 1.09Å | 1.10Å | |
CBD | H23 | sing | 1.09Å | 1.10Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
OAQ | CAR | CAS | 110.2° | 109.3° |
CAR | OAQ | CAP | 108.1° | 113.8° |
OAQ | CAR | H5 | 109.3° | 109.5° |
OAQ | CAR | H6 | 109.3° | 109.5° |
CAR | CAS | NAN | 112.6° | 109.3° |
CAS | CAR | H5 | 109.3° | 109.5° |
CAS | CAR | H6 | 109.3° | 109.5° |
CAR | CAS | H7 | 108.7° | 109.5° |
CAR | CAS | H8 | 108.7° | 109.5° |
OAQ | CAP | CAO | 109.7° | 109.2° |
OAQ | CAP | H3 | 109.4° | 109.5° |
OAQ | CAP | H4 | 109.4° | 109.6° |
CAS | NAN | CAO | 119.7° | 110.7° |
CAS | NAN | CAM | 121.1° | 111.0° |
NAN | CAS | H7 | 108.7° | 109.5° |
NAN | CAS | H8 | 108.7° | 109.5° |
CAP | CAO | NAN | 111.4° | 109.3° |
CAP | CAO | H1 | 109.0° | 109.5° |
CAP | CAO | H2 | 109.0° | 109.5° |
CAO | CAP | H3 | 109.4° | 109.5° |
CAO | CAP | H4 | 109.4° | 109.5° |
CAO | NAN | CAM | 119.2° | 111.1° |
NAN | CAO | H1 | 109.0° | 109.5° |
NAN | CAO | H2 | 109.0° | 109.5° |
NAN | CAM | CAL | 121.1° | 120.0° |
NAN | CAM | CAT | 119.3° | 120.0° |
CAM | CAL | CAK | 121.7° | 119.9° |
CAL | CAM | CAT | 119.6° | 119.9° |
CAM | CAL | H9 | 119.2° | 120.1° |
CAL | CAK | NAJ | 118.5° | 120.0° |
CAL | CAK | CAZ | 117.5° | 119.9° |
CAK | CAL | H9 | 119.2° | 120.1° |
CAK | NAJ | CAI | 124.8° | 119.9° |
NAJ | CAK | CAZ | 124.0° | 120.1° |
CAK | NAJ | H15 | 117.6° | 120.1° |
NAJ | CAI | NAH | 123.6° | 124.8° |
NAJ | CAI | SBA | 129.3° | 124.7° |
CAI | NAJ | H15 | 117.6° | 120.0° |
CAM | CAT | CAU | 119.5° | 120.1° |
CAM | CAT | H10 | 120.3° | 120.0° |
CAI | NAH | CAG | 114.2° | 117.3° |
NAH | CAI | SBA | 107.1° | 110.5° |
NAH | CAG | CAF | 114.7° | 114.0° |
NAH | CAG | H16 | 122.6° | 122.9° |
CAK | CAZ | CAU | 121.6° | 120.1° |
CAK | CAZ | H14 | 119.2° | 119.9° |
CAI | SBA | CAF | 95.5° | 90.4° |
CAG | CAF | SBA | 108.5° | 107.8° |
CAG | CAF | CAE | 128.6° | 126.1° |
CAF | CAG | H16 | 122.7° | 123.0° |
CAT | CAU | CAZ | 120.1° | 120.2° |
CAT | CAU | SAV | 121.8° | 120.0° |
CAU | CAT | H10 | 120.2° | 120.0° |
CAZ | CAU | SAV | 118.0° | 119.9° |
CAU | CAZ | H14 | 119.2° | 120.0° |
SBA | CAF | CAE | 122.9° | 126.2° |
CAF | CAE | NAD | 118.6° | 120.0° |
CAF | CAE | OBB | 119.2° | 120.1° |
CAU | SAV | OAW | 110.1° | 104.3° |
CAU | SAV | CAX | 108.8° | 104.4° |
CAU | SAV | OAY | 108.5° | 104.3° |
CBD | CBC | CAC | 121.3° | 120.0° |
CBD | CBC | CBE | 118.9° | 120.0° |
CBC | CBD | H21 | 109.5° | 109.5° |
CBC | CBD | H22 | 109.5° | 109.5° |
CBC | CBD | H23 | 109.5° | 109.5° |
CAE | NAD | CAC | 118.8° | 120.1° |
NAD | CAE | OBB | 122.1° | 119.9° |
CAE | NAD | H17 | 120.6° | 120.0° |
NAD | CAC | CBC | 119.3° | 120.1° |
NAD | CAC | CAB | 120.6° | 120.0° |
CAC | NAD | H17 | 120.6° | 120.0° |
CAC | CBC | CBE | 119.9° | 120.0° |
CBC | CAC | CAB | 120.1° | 119.9° |
CBC | CBE | CBF | 120.3° | 120.1° |
CBC | CBE | H20 | 119.9° | 120.0° |
CAC | CAB | CLA | 122.7° | 120.1° |
CAC | CAB | CBG | 119.2° | 119.8° |
OAW | SAV | CAX | 109.3° | 110.5° |
OAW | SAV | OAY | 110.8° | 121.1° |
CAX | SAV | OAY | 109.2° | 110.5° |
SAV | CAX | H11 | 109.5° | 109.5° |
SAV | CAX | H12 | 109.5° | 109.5° |
SAV | CAX | H13 | 109.5° | 109.5° |
CBE | CBF | CBG | 119.6° | 120.1° |
CBE | CBF | H19 | 120.2° | 119.9° |
CBF | CBE | H20 | 119.8° | 119.9° |
CLA | CAB | CBG | 118.1° | 120.1° |
CAB | CBG | CBF | 120.9° | 120.1° |
CAB | CBG | H18 | 119.5° | 119.9° |
CBF | CBG | H18 | 119.6° | 120.0° |
CBG | CBF | H19 | 120.2° | 119.9° |
H1 | CAO | H2 | 109.5° | 109.5° |
H3 | CAP | H4 | 109.5° | 109.5° |
H5 | CAR | H6 | 109.5° | 109.6° |
H7 | CAS | H8 | 109.5° | 109.5° |
H11 | CAX | H12 | 109.5° | 109.5° |
H11 | CAX | H13 | 109.4° | 109.5° |
H12 | CAX | H13 | 109.5° | 109.4° |
H21 | CBD | H22 | 109.5° | 109.5° |
H21 | CBD | H23 | 109.4° | 109.5° |
H22 | CBD | H23 | 109.5° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
OAQ | CAR | CAS | H5 | 120.1° | 119.9° |
OAQ | CAR | CAS | H6 | 120.1° | 119.9° |
OAQ | CAR | CAS | NAN | 46.2° | 56.8° |
CAR | OAQ | CAP | CAO | 69.7° | 58.6° |
CAR | OAQ | CAP | H3 | 170.3° | 61.3° |
CAR | OAQ | CAP | H4 | 50.4° | 178.6° |
OAQ | CAR | H5 | H6 | 119.7° | 120.1° |
OAQ | CAR | CAS | H7 | 166.7° | 176.8° |
OAQ | CAR | CAS | H8 | 74.2° | 63.1° |
CAS | CAR | OAQ | CAP | 67.1° | 58.6° |
CAR | CAS | NAN | H7 | 120.4° | 119.9° |
CAR | CAS | NAN | H8 | 120.4° | 120.0° |
CAR | CAS | NAN | CAO | 30.5° | 58.6° |
CAR | CAS | NAN | CAM | 148.8° | 177.6° |
CAS | CAR | H5 | H6 | 119.7° | 120.1° |
CAR | CAS | H7 | H8 | 118.6° | 120.1° |
OAQ | CAP | CAO | H3 | 120.0° | 119.9° |
OAQ | CAP | CAO | H4 | 120.0° | 120.0° |
OAQ | CAP | CAO | NAN | 50.6° | 56.9° |
OAQ | CAP | CAO | H1 | 69.7° | 63.2° |
OAQ | CAP | CAO | H2 | 170.9° | 176.8° |
OAQ | CAP | H3 | H4 | 119.9° | 120.2° |
CAP | OAQ | CAR | H5 | 53.0° | 61.3° |
CAP | OAQ | CAR | H6 | 172.8° | 178.6° |
CAS | NAN | CAO | CAP | 32.5° | 58.6° |
CAS | NAN | CAO | CAM | 179.3° | 123.8° |
CAS | NAN | CAM | CAL | 8.9° | 0.3° |
CAS | NAN | CAM | CAT | 170.6° | 180.0° |
CAS | NAN | CAO | H1 | 87.8° | 61.4° |
CAS | NAN | CAO | H2 | 152.7° | 178.5° |
NAN | CAS | CAR | H5 | 73.9° | 63.1° |
NAN | CAS | CAR | H6 | 166.4° | 176.8° |
NAN | CAS | H7 | H8 | 118.6° | 120.1° |
CAP | CAO | NAN | H1 | 120.3° | 120.0° |
CAP | CAO | NAN | H2 | 120.2° | 119.9° |
CAP | CAO | NAN | CAM | 146.8° | 177.6° |
CAP | CAO | H1 | H2 | 119.1° | 120.0° |
CAO | CAP | H3 | H4 | 119.9° | 120.1° |
CAO | NAN | CAM | CAL | 171.8° | 123.3° |
CAO | NAN | CAM | CAT | 8.7° | 56.4° |
NAN | CAO | H1 | H2 | 119.2° | 120.1° |
NAN | CAO | CAP | H3 | 170.6° | 63.0° |
NAN | CAO | CAP | H4 | 69.4° | 176.9° |
CAO | NAN | CAS | H7 | 150.9° | 178.5° |
CAO | NAN | CAS | H8 | 90.0° | 61.4° |
NAN | CAM | CAL | CAT | 179.5° | 179.7° |
NAN | CAM | CAL | CAK | 179.6° | 180.0° |
NAN | CAM | CAT | CAU | 179.5° | 180.0° |
CAM | NAN | CAO | H1 | 92.9° | 62.4° |
CAM | NAN | CAO | H2 | 26.6° | 57.7° |
CAM | NAN | CAS | H7 | 28.4° | 57.7° |
CAM | NAN | CAS | H8 | 90.7° | 62.4° |
NAN | CAM | CAL | H9 | 0.4° | 0.0° |
NAN | CAM | CAT | H10 | 0.5° | 0.0° |
CAM | CAL | CAK | H9 | 180.0° | 180.0° |
CAM | CAL | CAK | NAJ | 179.5° | 179.9° |
CAM | CAL | CAK | CAZ | 1.9° | 0.0° |
CAL | CAM | CAT | CAU | 0.0° | 0.3° |
CAL | CAM | CAT | H10 | 180.0° | 179.7° |
CAL | CAK | NAJ | CAZ | 177.4° | 180.0° |
CAL | CAK | NAJ | CAI | 154.8° | 140.9° |
CAK | CAL | CAM | CAT | 0.9° | 0.3° |
CAL | CAK | CAZ | CAU | 2.1° | 0.3° |
CAL | CAK | CAZ | H14 | 177.9° | 180.0° |
CAL | CAK | NAJ | H15 | 25.2° | 39.2° |
CAK | NAJ | CAI | H15 | 180.0° | 179.9° |
CAK | NAJ | CAI | NAH | 177.6° | 2.8° |
CAK | NAJ | CAI | SBA | 1.3° | 177.4° |
NAJ | CAK | CAZ | CAU | 179.5° | 179.7° |
NAJ | CAK | CAL | H9 | 0.5° | 0.0° |
NAJ | CAK | CAZ | H14 | 0.5° | 0.0° |
NAJ | CAI | NAH | SBA | 179.1° | 179.8° |
NAJ | CAI | NAH | CAG | 179.9° | 180.0° |
CAI | NAJ | CAK | CAZ | 27.8° | 39.2° |
NAJ | CAI | SBA | CAF | 179.4° | 180.0° |
CAM | CAT | CAU | H10 | 180.0° | 180.0° |
CAM | CAT | CAU | CAZ | 0.1° | 0.0° |
CAM | CAT | CAU | SAV | 179.8° | 180.0° |
CAT | CAM | CAL | H9 | 179.1° | 179.7° |
CAI | NAH | CAG | CAF | 1.5° | 0.1° |
NAH | CAI | SBA | CAF | 0.3° | 0.2° |
NAH | CAI | NAJ | H15 | 2.4° | 177.2° |
CAI | NAH | CAG | H16 | 178.5° | 179.9° |
CAG | NAH | CAI | SBA | 1.0° | 0.2° |
NAH | CAG | CAF | H16 | 180.0° | 179.8° |
NAH | CAG | CAF | SBA | 1.1° | 0.0° |
NAH | CAG | CAF | CAE | 179.6° | 180.0° |
CAK | CAZ | CAU | CAT | 1.2° | 0.3° |
CAK | CAZ | CAU | H14 | 180.0° | 179.7° |
CAK | CAZ | CAU | SAV | 178.7° | 179.7° |
CAZ | CAK | CAL | H9 | 178.1° | 180.0° |
CAZ | CAK | NAJ | H15 | 152.2° | 140.8° |
CAI | SBA | CAF | CAG | 0.5° | 0.1° |
CAI | SBA | CAF | CAE | 179.8° | 179.9° |
SBA | CAI | NAJ | H15 | 178.7° | 2.6° |
CAG | CAF | SBA | CAE | 179.3° | 180.0° |
CAG | CAF | CAE | NAD | 10.6° | 179.9° |
CAG | CAF | CAE | OBB | 171.2° | 0.0° |
CAT | CAU | CAZ | SAV | 179.9° | 180.0° |
CAT | CAU | SAV | OAW | 4.9° | 154.0° |
CAT | CAU | SAV | CAX | 114.9° | 90.0° |
CAT | CAU | SAV | OAY | 126.4° | 26.0° |
CAT | CAU | CAZ | H14 | 178.8° | 179.9° |
CAZ | CAU | SAV | OAW | 175.1° | 26.0° |
CAZ | CAU | SAV | CAX | 65.0° | 90.0° |
CAZ | CAU | SAV | OAY | 53.6° | 154.0° |
CAZ | CAU | CAT | H10 | 179.8° | 180.0° |
SBA | CAF | CAE | NAD | 170.2° | 0.1° |
SBA | CAF | CAE | OBB | 8.0° | 179.9° |
SBA | CAF | CAG | H16 | 178.9° | 179.7° |
CAF | CAE | NAD | OBB | 178.1° | 180.0° |
CAF | CAE | NAD | CAC | 179.3° | 174.3° |
CAE | CAF | CAG | H16 | 0.4° | 0.2° |
CAF | CAE | NAD | H17 | 0.7° | 5.7° |
CAU | SAV | OAW | CAX | 119.5° | 111.7° |
CAU | SAV | OAW | OAY | 120.1° | 116.8° |
CAU | SAV | CAX | OAY | 118.2° | 111.6° |
SAV | CAU | CAT | H10 | 0.2° | 0.0° |
CAU | SAV | CAX | H11 | 180.0° | 60.0° |
CAU | SAV | CAX | H12 | 60.0° | 180.0° |
CAU | SAV | CAX | H13 | 60.0° | 60.0° |
SAV | CAU | CAZ | H14 | 1.3° | 0.1° |
CBD | CBC | CAC | NAD | 0.4° | 0.0° |
CBD | CBC | CAC | CBE | 179.6° | 179.8° |
CBD | CBC | CAC | CAB | 179.5° | 179.7° |
CBD | CBC | CBE | CBF | 179.6° | 179.7° |
CBD | CBC | CBE | H20 | 0.3° | 0.1° |
CBC | CBD | H21 | H22 | 120.0° | 120.0° |
CBC | CBD | H21 | H23 | 120.0° | 120.0° |
CBC | CBD | H22 | H23 | 120.0° | 120.0° |
CAE | NAD | CAC | H17 | 180.0° | 180.0° |
CAE | NAD | CAC | CBC | 105.0° | 124.8° |
CAE | NAD | CAC | CAB | 75.8° | 54.8° |
CAC | NAD | CAE | OBB | 1.2° | 5.7° |
NAD | CAC | CBC | CAB | 179.2° | 179.7° |
NAD | CAC | CBC | CBE | 179.3° | 179.8° |
NAD | CAC | CAB | CLA | 0.9° | 0.1° |
NAD | CAC | CAB | CBG | 179.2° | 180.0° |
OBB | CAE | NAD | H17 | 178.9° | 174.4° |
CAC | CBC | CBE | CBF | 0.0° | 0.5° |
CBC | CAC | CAB | CLA | 180.0° | 179.7° |
CBC | CAC | CAB | CBG | 0.1° | 0.3° |
CBC | CAC | NAD | H17 | 75.0° | 55.1° |
CAC | CBC | CBE | H20 | 180.0° | 179.7° |
CAC | CBC | CBD | H21 | 90.2° | 90.0° |
CAC | CBC | CBD | H22 | 149.8° | 150.0° |
CAC | CBC | CBD | H23 | 29.8° | 30.0° |
CBE | CBC | CAC | CAB | 0.1° | 0.6° |
CBC | CBE | CBF | H20 | 180.0° | 179.8° |
CBC | CBE | CBF | CBG | 0.1° | 0.3° |
CBC | CBE | CBF | H19 | 179.9° | 179.8° |
CBE | CBC | CBD | H21 | 90.2° | 89.8° |
CBE | CBC | CBD | H22 | 29.8° | 30.2° |
CBE | CBC | CBD | H23 | 149.8° | 150.3° |
CAC | CAB | CLA | CBG | 179.9° | 180.0° |
CAC | CAB | CBG | CBF | 0.0° | 0.0° |
CAB | CAC | NAD | H17 | 104.2° | 125.2° |
CAC | CAB | CBG | H18 | 180.0° | 180.0° |
OAW | SAV | CAX | OAY | 121.4° | 136.7° |
OAW | SAV | CAX | H11 | 59.6° | 51.6° |
OAW | SAV | CAX | H12 | 179.7° | 68.4° |
OAW | SAV | CAX | H13 | 60.3° | 171.6° |
SAV | CAX | H11 | H12 | 120.0° | 120.0° |
SAV | CAX | H11 | H13 | 120.0° | 120.0° |
SAV | CAX | H12 | H13 | 120.0° | 120.0° |
OAY | SAV | CAX | H11 | 61.8° | 171.7° |
OAY | SAV | CAX | H12 | 58.2° | 68.3° |
OAY | SAV | CAX | H13 | 178.3° | 51.7° |
CBE | CBF | CBG | CAB | 0.1° | 0.0° |
CBE | CBF | CBG | H19 | 180.0° | 180.0° |
CBE | CBF | CBG | H18 | 179.9° | 180.0° |
CLA | CAB | CBG | CBF | 179.9° | 180.0° |
CLA | CAB | CBG | H18 | 0.1° | 0.0° |
CAB | CBG | CBF | H18 | 180.0° | 180.0° |
CAB | CBG | CBF | H19 | 179.9° | 180.0° |
CBG | CBF | CBE | H20 | 179.9° | 180.0° |
H1 | CAO | CAP | H3 | 50.4° | 177.0° |
H1 | CAO | CAP | H4 | 170.3° | 56.9° |
H2 | CAO | CAP | H3 | 69.1° | 56.9° |
H2 | CAO | CAP | H4 | 50.8° | 63.2° |
H5 | CAR | CAS | H7 | 46.6° | 56.9° |
H5 | CAR | CAS | H8 | 165.7° | 177.0° |
H6 | CAR | CAS | H7 | 73.2° | 63.3° |
H6 | CAR | CAS | H8 | 45.9° | 56.8° |
H11 | CAX | H12 | H13 | 120.0° | 120.0° |
H18 | CBG | CBF | H19 | 0.1° | 0.0° |
H19 | CBF | CBE | H20 | 0.2° | 0.0° |
H21 | CBD | H22 | H23 | 120.0° | 120.0° |