8ZZ
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
CAV | NAU | sing | 1.47Å | 1.47Å | |
CAV | CAW | sing | 1.53Å | 1.52Å | |
FAX | CAW | sing | 1.40Å | 1.37Å | |
OAY | CAP | doub | 1.22Å | 1.23Å | |
NAU | CAT | sing | 1.47Å | 1.47Å | |
CAW | CAR | sing | 1.53Å | 1.53Å | |
CAT | CAS | sing | 1.53Å | 1.52Å | |
CAR | CAS | sing | 1.53Å | 1.52Å | |
CAR | NAQ | sing | 1.47Å | 1.47Å | |
CAP | NAQ | sing | 1.35Å | 1.34Å | |
CAP | CAO | sing | 1.48Å | 1.39Å | |
CAZ | CAO | doub | 1.40Å | 1.39Å | Aromatic |
CAZ | CAK | sing | 1.39Å | 1.40Å | Aromatic |
CAO | CAN | sing | 1.40Å | 1.39Å | Aromatic |
NAJ | CAK | sing | 1.40Å | 1.35Å | |
NAJ | CAI | sing | 1.38Å | 1.35Å | |
NAH | CAI | doub | 1.30Å | 1.34Å | Aromatic |
NAH | CAG | sing | 1.31Å | 1.35Å | Aromatic |
CAK | CAL | doub | 1.39Å | 1.40Å | Aromatic |
CAI | SBA | sing | 1.71Å | 1.68Å | Aromatic |
CAG | CAF | doub | 1.37Å | 1.34Å | Aromatic |
CAN | CAM | doub | 1.38Å | 1.39Å | Aromatic |
CAL | CAM | sing | 1.38Å | 1.39Å | Aromatic |
SBA | CAF | sing | 1.76Å | 1.65Å | Aromatic |
CAF | CAE | sing | 1.46Å | 1.34Å | |
CLA | CAB | sing | 1.74Å | 1.75Å | |
NAD | CAE | sing | 1.35Å | 1.35Å | |
NAD | CAC | sing | 1.40Å | 1.35Å | |
CAE | OBB | doub | 1.22Å | 1.23Å | |
CAC | CAB | doub | 1.39Å | 1.40Å | Aromatic |
CAC | CBC | sing | 1.39Å | 1.40Å | Aromatic |
CAB | CBG | sing | 1.38Å | 1.39Å | Aromatic |
CBC | CBD | sing | 1.51Å | 1.39Å | |
CBC | CBE | doub | 1.38Å | 1.39Å | Aromatic |
CBG | CBF | doub | 1.38Å | 1.39Å | Aromatic |
CBE | CBF | sing | 1.38Å | 1.39Å | Aromatic |
CAW | H1 | sing | 1.09Å | 1.10Å | |
CAV | H2 | sing | 1.09Å | 1.10Å | |
CAV | H3 | sing | 1.09Å | 1.10Å | |
NAU | H4 | sing | 1.01Å | 1.00Å | |
CAT | H6 | sing | 1.09Å | 1.10Å | |
CAT | H7 | sing | 1.09Å | 1.10Å | |
CAS | H8 | sing | 1.09Å | 1.10Å | |
CAS | H9 | sing | 1.09Å | 1.10Å | |
CAR | H10 | sing | 1.09Å | 1.10Å | |
NAQ | H11 | sing | 0.97Å | 1.00Å | |
CAZ | H12 | sing | 1.08Å | 1.08Å | |
CAN | H13 | sing | 1.08Å | 1.08Å | |
CAM | H14 | sing | 1.08Å | 1.08Å | |
CAL | H15 | sing | 1.08Å | 1.08Å | |
NAJ | H16 | sing | 0.97Å | 1.00Å | |
CAG | H17 | sing | 1.08Å | 1.08Å | |
NAD | H18 | sing | 0.97Å | 1.00Å | |
CBG | H19 | sing | 1.08Å | 1.08Å | |
CBF | H20 | sing | 1.08Å | 1.08Å | |
CBE | H21 | sing | 1.08Å | 1.08Å | |
CBD | H22 | sing | 1.09Å | 1.10Å | |
CBD | H23 | sing | 1.09Å | 1.10Å | |
CBD | H24 | sing | 1.09Å | 1.10Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
NAU | CAV | CAW | 110.8° | 109.5° |
CAV | NAU | CAT | 109.8° | 111.2° |
NAU | CAV | H2 | 109.1° | 109.5° |
NAU | CAV | H3 | 109.2° | 109.4° |
CAV | NAU | H4 | 109.4° | 111.0° |
CAV | CAW | FAX | 109.8° | 109.5° |
CAV | CAW | CAR | 109.7° | 109.3° |
CAV | CAW | H1 | 108.3° | 109.5° |
CAW | CAV | H2 | 109.1° | 109.5° |
CAW | CAV | H3 | 109.1° | 109.5° |
FAX | CAW | CAR | 110.5° | 109.5° |
FAX | CAW | H1 | 110.4° | 109.4° |
OAY | CAP | NAQ | 124.4° | 120.0° |
OAY | CAP | CAO | 121.9° | 120.0° |
NAU | CAT | CAS | 110.7° | 109.5° |
CAT | NAU | H4 | 109.4° | 111.0° |
NAU | CAT | H6 | 109.2° | 109.5° |
NAU | CAT | H7 | 109.2° | 109.4° |
CAW | CAR | CAS | 109.1° | 109.2° |
CAW | CAR | NAQ | 108.8° | 109.5° |
CAR | CAW | H1 | 108.2° | 109.5° |
CAW | CAR | H10 | 109.7° | 109.5° |
CAT | CAS | CAR | 109.1° | 109.2° |
CAS | CAT | H6 | 109.2° | 109.5° |
CAS | CAT | H7 | 109.2° | 109.4° |
CAT | CAS | H8 | 109.5° | 109.5° |
CAT | CAS | H9 | 109.5° | 109.5° |
CAS | CAR | NAQ | 109.0° | 109.5° |
CAR | CAS | H8 | 109.6° | 109.5° |
CAR | CAS | H9 | 109.6° | 109.5° |
CAS | CAR | H10 | 109.8° | 109.5° |
CAR | NAQ | CAP | 123.9° | 120.0° |
NAQ | CAR | H10 | 110.5° | 109.6° |
CAR | NAQ | H11 | 118.0° | 120.0° |
NAQ | CAP | CAO | 113.6° | 120.0° |
CAP | NAQ | H11 | 118.1° | 119.9° |
CAP | CAO | CAZ | 121.0° | 120.1° |
CAP | CAO | CAN | 118.8° | 120.1° |
CAO | CAZ | CAK | 120.9° | 119.8° |
CAZ | CAO | CAN | 120.1° | 119.8° |
CAO | CAZ | H12 | 119.6° | 120.1° |
CAZ | CAK | NAJ | 117.9° | 120.0° |
CAZ | CAK | CAL | 118.0° | 120.0° |
CAK | CAZ | H12 | 119.6° | 120.1° |
CAO | CAN | CAM | 119.8° | 120.0° |
CAO | CAN | H13 | 120.1° | 120.0° |
CAK | NAJ | CAI | 124.7° | 120.1° |
NAJ | CAK | CAL | 124.1° | 120.0° |
CAK | NAJ | H16 | 117.6° | 120.0° |
NAJ | CAI | NAH | 122.6° | 124.7° |
NAJ | CAI | SBA | 130.1° | 124.8° |
CAI | NAJ | H16 | 117.6° | 119.9° |
CAI | NAH | CAG | 114.7° | 117.3° |
NAH | CAI | SBA | 107.3° | 110.5° |
NAH | CAG | CAF | 114.0° | 114.0° |
NAH | CAG | H17 | 123.0° | 123.0° |
CAK | CAL | CAM | 121.5° | 120.2° |
CAK | CAL | H15 | 119.3° | 119.9° |
CAI | SBA | CAF | 95.4° | 90.4° |
CAG | CAF | SBA | 108.6° | 107.8° |
CAG | CAF | CAE | 126.8° | 126.1° |
CAF | CAG | H17 | 123.0° | 122.9° |
CAN | CAM | CAL | 119.7° | 120.2° |
CAM | CAN | H13 | 120.1° | 120.0° |
CAN | CAM | H14 | 120.2° | 119.9° |
CAL | CAM | H14 | 120.2° | 119.9° |
CAM | CAL | H15 | 119.2° | 119.9° |
SBA | CAF | CAE | 124.6° | 126.1° |
CAF | CAE | NAD | 116.7° | 120.0° |
CAF | CAE | OBB | 120.0° | 120.0° |
CLA | CAB | CAC | 122.8° | 120.0° |
CLA | CAB | CBG | 118.5° | 120.1° |
CAE | NAD | CAC | 118.4° | 120.0° |
NAD | CAE | OBB | 123.2° | 120.0° |
CAE | NAD | H18 | 120.8° | 120.0° |
NAD | CAC | CAB | 120.4° | 120.1° |
NAD | CAC | CBC | 118.6° | 120.1° |
CAC | NAD | H18 | 120.8° | 120.0° |
CAB | CAC | CBC | 121.0° | 119.8° |
CAC | CAB | CBG | 118.7° | 119.9° |
CAC | CBC | CBD | 121.5° | 120.0° |
CAC | CBC | CBE | 119.4° | 120.0° |
CAB | CBG | CBF | 120.7° | 120.1° |
CAB | CBG | H19 | 119.6° | 120.0° |
CBD | CBC | CBE | 119.0° | 120.0° |
CBC | CBD | H22 | 109.5° | 109.4° |
CBC | CBD | H23 | 109.5° | 109.5° |
CBC | CBD | H24 | 109.4° | 109.5° |
CBC | CBE | CBF | 119.9° | 120.1° |
CBC | CBE | H21 | 120.1° | 119.9° |
CBG | CBF | CBE | 120.2° | 120.2° |
CBF | CBG | H19 | 119.7° | 120.0° |
CBG | CBF | H20 | 119.9° | 120.0° |
CBE | CBF | H20 | 119.9° | 119.9° |
CBF | CBE | H21 | 120.0° | 120.0° |
H2 | CAV | H3 | 109.5° | 109.5° |
H6 | CAT | H7 | 109.5° | 109.5° |
H8 | CAS | H9 | 109.5° | 109.6° |
H22 | CBD | H23 | 109.4° | 109.5° |
H22 | CBD | H24 | 109.4° | 109.5° |
H23 | CBD | H24 | 109.5° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
NAU | CAV | CAW | H2 | 120.2° | 120.0° |
NAU | CAV | CAW | H3 | 120.2° | 120.0° |
NAU | CAV | CAW | FAX | 179.9° | 179.2° |
CAV | NAU | CAT | H4 | 120.1° | 124.1° |
NAU | CAV | CAW | CAR | 58.4° | 59.2° |
CAV | NAU | CAT | CAS | 60.8° | 61.8° |
NAU | CAV | CAW | H1 | 59.5° | 60.8° |
NAU | CAV | H2 | H3 | 119.4° | 120.0° |
CAV | NAU | CAT | H6 | 59.4° | 58.3° |
CAV | NAU | CAT | H7 | 179.0° | 178.3° |
CAV | CAW | FAX | CAR | 121.1° | 119.8° |
CAV | CAW | FAX | H1 | 119.3° | 120.1° |
CAW | CAV | NAU | CAT | 59.8° | 61.7° |
CAV | CAW | CAR | H1 | 117.9° | 120.0° |
CAV | CAW | CAR | CAS | 57.1° | 57.7° |
CAV | CAW | CAR | NAQ | 175.8° | 177.6° |
CAW | CAV | H2 | H3 | 119.4° | 120.0° |
CAW | CAV | NAU | H4 | 179.9° | 174.2° |
CAV | CAW | CAR | H10 | 63.2° | 62.2° |
FAX | CAW | CAR | H1 | 120.9° | 120.0° |
FAX | CAW | CAR | CAS | 178.2° | 177.7° |
FAX | CAW | CAR | NAQ | 63.0° | 62.4° |
FAX | CAW | CAV | H2 | 59.9° | 59.1° |
FAX | CAW | CAV | H3 | 59.7° | 60.8° |
FAX | CAW | CAR | H10 | 58.0° | 57.7° |
OAY | CAP | NAQ | CAR | 0.6° | 0.0° |
OAY | CAP | NAQ | CAO | 177.8° | 179.9° |
OAY | CAP | CAO | CAZ | 31.4° | 0.2° |
OAY | CAP | CAO | CAN | 150.0° | 180.0° |
OAY | CAP | NAQ | H11 | 179.4° | 179.9° |
NAU | CAT | CAS | H6 | 120.2° | 120.0° |
NAU | CAT | CAS | H7 | 120.2° | 120.0° |
NAU | CAT | CAS | CAR | 60.1° | 59.2° |
CAT | NAU | CAV | H2 | 180.0° | 58.3° |
CAT | NAU | CAV | H3 | 60.4° | 178.3° |
NAU | CAT | H6 | H7 | 119.4° | 120.0° |
NAU | CAT | CAS | H8 | 179.9° | 179.1° |
NAU | CAT | CAS | H9 | 59.8° | 60.8° |
CAW | CAR | CAS | CAT | 57.7° | 57.7° |
CAW | CAR | CAS | NAQ | 118.6° | 119.9° |
CAW | CAR | CAS | H10 | 120.2° | 119.9° |
CAW | CAR | NAQ | H10 | 120.5° | 120.2° |
CAW | CAR | NAQ | CAP | 114.4° | 155.0° |
CAR | CAW | CAV | H2 | 178.5° | 60.9° |
CAR | CAW | CAV | H3 | 61.9° | 179.2° |
CAW | CAR | CAS | H8 | 177.7° | 177.6° |
CAW | CAR | CAS | H9 | 62.2° | 62.3° |
CAW | CAR | NAQ | H11 | 65.6° | 25.1° |
CAT | CAS | CAR | H8 | 119.9° | 119.9° |
CAT | CAS | CAR | H9 | 120.0° | 119.9° |
CAT | CAS | CAR | NAQ | 176.4° | 177.6° |
CAS | CAT | NAU | H4 | 179.1° | 174.1° |
CAS | CAT | H6 | H7 | 119.4° | 120.0° |
CAT | CAS | H8 | H9 | 120.1° | 120.1° |
CAT | CAS | CAR | H10 | 62.5° | 62.3° |
CAS | CAR | NAQ | H10 | 120.7° | 120.1° |
CAS | CAR | NAQ | CAP | 126.8° | 85.3° |
CAS | CAR | CAW | H1 | 60.9° | 62.3° |
CAR | CAS | CAT | H6 | 60.1° | 60.9° |
CAR | CAS | CAT | H7 | 179.7° | 179.2° |
CAR | CAS | H8 | H9 | 120.2° | 120.1° |
CAS | CAR | NAQ | H11 | 53.2° | 94.6° |
CAR | NAQ | CAP | H11 | 180.0° | 179.9° |
CAR | NAQ | CAP | CAO | 178.4° | 180.0° |
NAQ | CAR | CAW | H1 | 57.9° | 57.6° |
NAQ | CAR | CAS | H8 | 63.7° | 62.5° |
NAQ | CAR | CAS | H9 | 56.4° | 57.6° |
NAQ | CAP | CAO | CAZ | 146.4° | 179.7° |
NAQ | CAP | CAO | CAN | 32.1° | 0.1° |
CAP | NAQ | CAR | H10 | 6.0° | 34.8° |
CAP | CAO | CAZ | CAN | 178.5° | 179.8° |
CAP | CAO | CAZ | CAK | 179.5° | 179.9° |
CAP | CAO | CAN | CAM | 179.2° | 180.0° |
CAO | CAP | NAQ | H11 | 1.6° | 0.0° |
CAP | CAO | CAZ | H12 | 0.5° | 0.0° |
CAP | CAO | CAN | H13 | 0.8° | 0.1° |
CAO | CAZ | CAK | H12 | 180.0° | 179.9° |
CAO | CAZ | CAK | NAJ | 179.6° | 180.0° |
CAO | CAZ | CAK | CAL | 1.5° | 0.1° |
CAZ | CAO | CAN | CAM | 0.7° | 0.2° |
CAZ | CAO | CAN | H13 | 179.3° | 179.7° |
CAK | CAZ | CAO | CAN | 1.0° | 0.3° |
CAZ | CAK | NAJ | CAL | 178.0° | 179.9° |
CAZ | CAK | NAJ | CAI | 149.9° | 26.3° |
CAZ | CAK | CAL | CAM | 1.7° | 0.2° |
CAZ | CAK | CAL | H15 | 178.3° | 179.9° |
CAZ | CAK | NAJ | H16 | 30.2° | 153.6° |
CAO | CAN | CAM | H13 | 180.0° | 180.0° |
CAO | CAN | CAM | CAL | 0.8° | 0.0° |
CAN | CAO | CAZ | H12 | 179.0° | 179.8° |
CAO | CAN | CAM | H14 | 179.2° | 179.9° |
CAK | NAJ | CAI | H16 | 180.0° | 180.0° |
CAK | NAJ | CAI | NAH | 178.5° | 6.4° |
CAK | NAJ | CAI | SBA | 1.6° | 173.3° |
NAJ | CAK | CAL | CAM | 179.6° | 179.7° |
NAJ | CAK | CAZ | H12 | 0.4° | 0.1° |
NAJ | CAK | CAL | H15 | 0.4° | 0.0° |
NAJ | CAI | NAH | SBA | 179.9° | 179.7° |
NAJ | CAI | NAH | CAG | 179.9° | 180.0° |
CAI | NAJ | CAK | CAL | 32.2° | 153.6° |
NAJ | CAI | SBA | CAF | 179.7° | 179.9° |
CAI | NAH | CAG | CAF | 0.5° | 0.1° |
NAH | CAI | SBA | CAF | 0.1° | 0.2° |
NAH | CAI | NAJ | H16 | 1.4° | 173.7° |
CAI | NAH | CAG | H17 | 179.5° | 180.0° |
CAG | NAH | CAI | SBA | 0.2° | 0.3° |
NAH | CAG | CAF | H17 | 180.0° | 179.9° |
NAH | CAG | CAF | SBA | 0.6° | 0.0° |
NAH | CAG | CAF | CAE | 180.0° | 179.9° |
CAK | CAL | CAM | CAN | 1.4° | 0.2° |
CAK | CAL | CAM | H15 | 180.0° | 179.8° |
CAL | CAK | CAZ | H12 | 178.5° | 180.0° |
CAK | CAL | CAM | H14 | 178.6° | 179.7° |
CAL | CAK | NAJ | H16 | 147.8° | 26.5° |
CAI | SBA | CAF | CAG | 0.4° | 0.1° |
CAI | SBA | CAF | CAE | 179.8° | 180.0° |
SBA | CAI | NAJ | H16 | 178.4° | 6.6° |
CAG | CAF | SBA | CAE | 179.4° | 179.9° |
CAG | CAF | CAE | NAD | 4.0° | 179.8° |
CAG | CAF | CAE | OBB | 175.3° | 0.2° |
CAN | CAM | CAL | H14 | 180.0° | 179.9° |
CAN | CAM | CAL | H15 | 178.7° | 180.0° |
CAL | CAM | CAN | H13 | 179.2° | 180.0° |
SBA | CAF | CAE | NAD | 176.7° | 0.1° |
SBA | CAF | CAE | OBB | 4.0° | 180.0° |
SBA | CAF | CAG | H17 | 179.4° | 179.8° |
CAF | CAE | NAD | OBB | 179.3° | 179.9° |
CAF | CAE | NAD | CAC | 178.1° | 174.4° |
CAE | CAF | CAG | H17 | 0.0° | 0.1° |
CAF | CAE | NAD | H18 | 1.9° | 5.5° |
CLA | CAB | CAC | NAD | 0.7° | 0.0° |
CLA | CAB | CAC | CBG | 179.9° | 180.0° |
CLA | CAB | CAC | CBC | 179.7° | 179.7° |
CLA | CAB | CBG | CBF | 180.0° | 180.0° |
CLA | CAB | CBG | H19 | 0.0° | 0.0° |
CAE | NAD | CAC | H18 | 180.0° | 180.0° |
CAE | NAD | CAC | CAB | 92.2° | 52.1° |
CAE | NAD | CAC | CBC | 88.8° | 127.7° |
CAC | NAD | CAE | OBB | 1.1° | 5.6° |
NAD | CAC | CAB | CBC | 179.0° | 179.7° |
NAD | CAC | CAB | CBG | 179.4° | 180.0° |
NAD | CAC | CBC | CBD | 0.6° | 0.0° |
NAD | CAC | CBC | CBE | 179.5° | 179.7° |
OBB | CAE | NAD | H18 | 178.8° | 174.4° |
CAB | CAC | CBC | CBD | 179.6° | 179.7° |
CAB | CAC | CBC | CBE | 0.5° | 0.6° |
CAC | CAB | CBG | CBF | 0.1° | 0.1° |
CAB | CAC | NAD | H18 | 87.8° | 128.0° |
CAC | CAB | CBG | H19 | 179.9° | 180.0° |
CBC | CAC | CAB | CBG | 0.4° | 0.3° |
CAC | CBC | CBD | CBE | 179.9° | 179.7° |
CAC | CBC | CBE | CBF | 0.3° | 0.6° |
CBC | CAC | NAD | H18 | 91.2° | 52.3° |
CAC | CBC | CBE | H21 | 179.8° | 179.7° |
CAC | CBC | CBD | H22 | 90.0° | 90.0° |
CAC | CBC | CBD | H23 | 150.0° | 150.0° |
CAC | CBC | CBD | H24 | 29.9° | 30.0° |
CAB | CBG | CBF | H19 | 180.0° | 180.0° |
CAB | CBG | CBF | CBE | 0.2° | 0.1° |
CAB | CBG | CBF | H20 | 179.8° | 180.0° |
CBD | CBC | CBE | CBF | 179.8° | 179.7° |
CBD | CBC | CBE | H21 | 0.1° | 0.0° |
CBC | CBD | H22 | H23 | 120.0° | 120.0° |
CBC | CBD | H22 | H24 | 120.0° | 120.0° |
CBC | CBD | H23 | H24 | 120.0° | 120.0° |
CBC | CBE | CBF | CBG | 0.1° | 0.3° |
CBC | CBE | CBF | H21 | 180.0° | 179.7° |
CBC | CBE | CBF | H20 | 179.9° | 179.7° |
CBE | CBC | CBD | H22 | 90.1° | 89.7° |
CBE | CBC | CBD | H23 | 29.9° | 30.3° |
CBE | CBC | CBD | H24 | 150.0° | 150.3° |
CBG | CBF | CBE | H20 | 180.0° | 180.0° |
CBG | CBF | CBE | H21 | 179.9° | 180.0° |
CBE | CBF | CBG | H19 | 179.8° | 180.0° |
H1 | CAW | CAV | H2 | 60.7° | 179.2° |
H1 | CAW | CAV | H3 | 179.7° | 59.2° |
H1 | CAW | CAR | H10 | 178.9° | 177.8° |
H2 | CAV | NAU | H4 | 59.9° | 65.8° |
H3 | CAV | NAU | H4 | 59.7° | 54.2° |
H4 | NAU | CAT | H6 | 60.7° | 65.8° |
H4 | NAU | CAT | H7 | 58.9° | 54.2° |
H6 | CAT | CAS | H8 | 59.9° | 59.0° |
H6 | CAT | CAS | H9 | 180.0° | 179.2° |
H7 | CAT | CAS | H8 | 59.7° | 60.9° |
H7 | CAT | CAS | H9 | 60.3° | 59.2° |
H8 | CAS | CAR | H10 | 57.5° | 57.7° |
H9 | CAS | CAR | H10 | 177.6° | 177.8° |
H10 | CAR | NAQ | H11 | 174.0° | 145.2° |
H13 | CAN | CAM | H14 | 0.8° | 0.0° |
H14 | CAM | CAL | H15 | 1.4° | 0.0° |
H19 | CBG | CBF | H20 | 0.2° | 0.0° |
H20 | CBF | CBE | H21 | 0.1° | 0.0° |
H22 | CBD | H23 | H24 | 119.9° | 120.1° |