GZT
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
CAA | NAB | sing | 1.46Å | 1.47Å | |
NAB | CAC | sing | 1.35Å | 1.34Å | |
OAF | CAE | doub | 1.22Å | 1.23Å | |
CAC | OAK | doub | 1.22Å | 1.23Å | |
CAC | CAD | sing | 1.47Å | 1.39Å | |
CAE | CAD | sing | 1.42Å | 1.38Å | |
CAE | NAJ | sing | 1.35Å | 1.33Å | |
CAD | CAG | doub | 1.39Å | 1.36Å | |
CAW | NAJ | sing | 1.47Å | 1.44Å | |
CAW | CAR | sing | 1.51Å | 1.40Å | |
NAJ | CAI | sing | 1.35Å | 1.34Å | |
CAG | CAH | sing | 1.39Å | 1.35Å | |
CAS | CAR | doub | 1.38Å | 1.36Å | Aromatic |
CAS | CAT | sing | 1.38Å | 1.39Å | Aromatic |
CAR | CAQ | sing | 1.38Å | 1.39Å | Aromatic |
CAI | CAH | doub | 1.36Å | 1.36Å | |
CAT | CAO | doub | 1.39Å | 1.33Å | Aromatic |
CAQ | CAP | doub | 1.39Å | 1.33Å | Aromatic |
CAO | CAP | sing | 1.39Å | 1.34Å | Aromatic |
CAO | OAN | sing | 1.37Å | 1.36Å | |
CAP | OAU | sing | 1.37Å | 1.36Å | |
OAN | CAM | sing | 1.44Å | 1.44Å | |
OAU | CAM | sing | 1.44Å | 1.44Å | |
CAM | FAL | sing | 1.40Å | 1.35Å | |
CAM | FAV | sing | 1.40Å | 1.35Å | |
CAA | H1 | sing | 1.09Å | 1.10Å | |
CAA | H2 | sing | 1.09Å | 1.10Å | |
CAA | H3 | sing | 1.09Å | 1.10Å | |
NAB | H4 | sing | 0.97Å | 1.00Å | |
CAG | H5 | sing | 1.08Å | 1.08Å | |
CAH | H6 | sing | 1.08Å | 1.08Å | |
CAI | H7 | sing | 1.08Å | 1.08Å | |
CAW | H8 | sing | 1.09Å | 1.10Å | |
CAW | H9 | sing | 1.09Å | 1.10Å | |
CAQ | H10 | sing | 1.08Å | 1.08Å | |
CAT | H11 | sing | 1.08Å | 1.08Å | |
CAS | H12 | sing | 1.08Å | 1.08Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
CAA | NAB | CAC | 117.0° | 120.0° |
NAB | CAA | H1 | 109.5° | 109.5° |
NAB | CAA | H2 | 109.5° | 109.5° |
NAB | CAA | H3 | 109.5° | 109.5° |
CAA | NAB | H4 | 121.5° | 120.0° |
NAB | CAC | OAK | 124.0° | 120.0° |
NAB | CAC | CAD | 115.0° | 120.0° |
CAC | NAB | H4 | 121.5° | 120.0° |
OAF | CAE | CAD | 120.7° | 120.1° |
OAF | CAE | NAJ | 119.6° | 120.1° |
OAK | CAC | CAD | 121.0° | 120.0° |
CAC | CAD | CAE | 120.8° | 120.6° |
CAC | CAD | CAG | 120.6° | 120.6° |
CAD | CAE | NAJ | 119.6° | 119.8° |
CAE | CAD | CAG | 118.6° | 118.8° |
CAE | NAJ | CAW | 120.9° | 119.5° |
CAE | NAJ | CAI | 121.1° | 121.1° |
CAD | CAG | CAH | 121.3° | 118.9° |
CAD | CAG | H5 | 119.3° | 120.5° |
NAJ | CAW | CAR | 107.8° | 109.5° |
CAW | NAJ | CAI | 118.0° | 119.5° |
NAJ | CAW | H8 | 109.9° | 109.5° |
NAJ | CAW | H9 | 109.9° | 109.5° |
CAW | CAR | CAS | 120.3° | 119.9° |
CAW | CAR | CAQ | 120.8° | 120.0° |
CAR | CAW | H8 | 109.9° | 109.5° |
CAR | CAW | H9 | 109.9° | 109.5° |
NAJ | CAI | CAH | 121.2° | 121.2° |
NAJ | CAI | H7 | 119.4° | 119.4° |
CAG | CAH | CAI | 118.1° | 120.1° |
CAH | CAG | H5 | 119.3° | 120.6° |
CAG | CAH | H6 | 120.9° | 119.9° |
CAR | CAS | CAT | 118.1° | 120.2° |
CAS | CAR | CAQ | 119.0° | 120.1° |
CAR | CAS | H12 | 120.9° | 119.9° |
CAS | CAT | CAO | 121.1° | 120.1° |
CAS | CAT | H11 | 119.5° | 120.0° |
CAT | CAS | H12 | 121.0° | 120.0° |
CAR | CAQ | CAP | 120.7° | 120.1° |
CAR | CAQ | H10 | 119.6° | 119.9° |
CAI | CAH | H6 | 120.9° | 119.9° |
CAH | CAI | H7 | 119.4° | 119.4° |
CAT | CAO | CAP | 120.5° | 119.8° |
CAT | CAO | OAN | 126.8° | 131.6° |
CAO | CAT | H11 | 119.4° | 119.9° |
CAQ | CAP | CAO | 120.5° | 119.8° |
CAQ | CAP | OAU | 126.9° | 131.5° |
CAP | CAQ | H10 | 119.6° | 120.0° |
CAP | CAO | OAN | 112.7° | 108.6° |
CAO | CAP | OAU | 112.6° | 108.6° |
CAO | OAN | CAM | 100.5° | 105.5° |
CAP | OAU | CAM | 100.5° | 105.5° |
OAN | CAM | OAU | 111.9° | 103.8° |
OAN | CAM | FAL | 106.9° | 110.6° |
OAN | CAM | FAV | 111.0° | 110.7° |
OAU | CAM | FAL | 106.9° | 110.6° |
OAU | CAM | FAV | 111.0° | 110.5° |
FAL | CAM | FAV | 109.0° | 110.5° |
H1 | CAA | H2 | 109.5° | 109.4° |
H1 | CAA | H3 | 109.5° | 109.5° |
H2 | CAA | H3 | 109.4° | 109.5° |
H8 | CAW | H9 | 109.5° | 109.4° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
CAA | NAB | CAC | H4 | 180.0° | 180.0° |
CAA | NAB | CAC | OAK | 0.1° | 5.1° |
CAA | NAB | CAC | CAD | 180.0° | 174.9° |
NAB | CAA | H1 | H2 | 120.0° | 120.0° |
NAB | CAA | H1 | H3 | 120.0° | 120.0° |
NAB | CAA | H2 | H3 | 120.0° | 120.0° |
NAB | CAC | OAK | CAD | 179.8° | 180.0° |
NAB | CAC | CAD | CAE | 1.5° | 6.2° |
NAB | CAC | CAD | CAG | 179.8° | 174.1° |
CAC | NAB | CAA | H1 | 180.0° | 180.0° |
CAC | NAB | CAA | H2 | 60.0° | 60.0° |
CAC | NAB | CAA | H3 | 60.0° | 60.0° |
OAF | CAE | CAD | CAC | 2.9° | 0.0° |
OAF | CAE | CAD | NAJ | 177.4° | 180.0° |
OAF | CAE | CAD | CAG | 178.4° | 179.7° |
OAF | CAE | NAJ | CAW | 0.7° | 0.0° |
OAF | CAE | NAJ | CAI | 178.7° | 180.0° |
OAK | CAC | CAD | CAE | 178.3° | 173.8° |
OAK | CAC | CAD | CAG | 0.4° | 5.9° |
OAK | CAC | NAB | H4 | 179.9° | 175.0° |
CAC | CAD | CAE | CAG | 178.7° | 179.7° |
CAC | CAD | CAE | NAJ | 179.7° | 180.0° |
CAC | CAD | CAG | CAH | 178.7° | 180.0° |
CAD | CAC | NAB | H4 | 0.1° | 5.1° |
CAC | CAD | CAG | H5 | 1.3° | 0.1° |
CAD | CAE | NAJ | CAW | 176.7° | 180.0° |
CAD | CAE | NAJ | CAI | 1.3° | 0.0° |
CAE | CAD | CAG | CAH | 0.0° | 0.3° |
CAE | CAD | CAG | H5 | 180.0° | 179.7° |
NAJ | CAE | CAD | CAG | 1.0° | 0.3° |
CAE | NAJ | CAW | CAI | 178.1° | 180.0° |
CAE | NAJ | CAW | CAR | 78.5° | 90.0° |
CAE | NAJ | CAI | CAH | 0.6° | 0.3° |
CAE | NAJ | CAI | H7 | 179.4° | 179.9° |
CAE | NAJ | CAW | H8 | 41.2° | 150.0° |
CAE | NAJ | CAW | H9 | 161.7° | 30.0° |
CAD | CAG | CAH | H5 | 180.0° | 180.0° |
CAD | CAG | CAH | CAI | 0.7° | 0.0° |
CAD | CAG | CAH | H6 | 179.3° | 180.0° |
NAJ | CAW | CAR | H8 | 119.7° | 120.0° |
NAJ | CAW | CAR | H9 | 119.7° | 120.0° |
NAJ | CAW | CAR | CAS | 118.0° | 90.3° |
NAJ | CAW | CAR | CAQ | 62.6° | 90.0° |
CAW | NAJ | CAI | CAH | 177.5° | 179.7° |
CAW | NAJ | CAI | H7 | 2.5° | 0.1° |
NAJ | CAW | H8 | H9 | 120.8° | 120.0° |
CAR | CAW | NAJ | CAI | 99.6° | 90.0° |
CAW | CAR | CAS | CAQ | 179.4° | 179.8° |
CAW | CAR | CAS | CAT | 179.7° | 179.7° |
CAW | CAR | CAQ | CAP | 179.7° | 180.0° |
CAR | CAW | H8 | H9 | 120.8° | 120.0° |
CAW | CAR | CAQ | H10 | 0.4° | 0.0° |
CAW | CAR | CAS | H12 | 0.3° | 0.1° |
NAJ | CAI | CAH | CAG | 0.4° | 0.3° |
NAJ | CAI | CAH | H7 | 180.0° | 179.6° |
NAJ | CAI | CAH | H6 | 179.6° | 179.7° |
CAI | NAJ | CAW | H8 | 140.7° | 30.0° |
CAI | NAJ | CAW | H9 | 20.2° | 150.0° |
CAG | CAH | CAI | H6 | 180.0° | 180.0° |
CAG | CAH | CAI | H7 | 179.6° | 179.9° |
CAR | CAS | CAT | H12 | 180.0° | 179.8° |
CAR | CAS | CAT | CAO | 0.5° | 0.6° |
CAS | CAR | CAQ | CAP | 0.9° | 0.3° |
CAS | CAR | CAW | H8 | 1.7° | 149.7° |
CAS | CAR | CAW | H9 | 122.2° | 29.7° |
CAS | CAR | CAQ | H10 | 179.0° | 179.8° |
CAR | CAS | CAT | H11 | 179.5° | 179.8° |
CAT | CAS | CAR | CAQ | 0.3° | 0.5° |
CAS | CAT | CAO | H11 | 180.0° | 179.6° |
CAS | CAT | CAO | CAP | 0.7° | 0.4° |
CAS | CAT | CAO | OAN | 177.9° | 179.7° |
CAR | CAQ | CAP | H10 | 180.0° | 180.0° |
CAR | CAQ | CAP | CAO | 0.8° | 0.0° |
CAR | CAQ | CAP | OAU | 177.5° | 180.0° |
CAQ | CAR | CAW | H8 | 177.7° | 30.0° |
CAQ | CAR | CAW | H9 | 57.2° | 150.0° |
CAQ | CAR | CAS | H12 | 179.7° | 179.7° |
CAI | CAH | CAG | H5 | 179.3° | 180.0° |
CAT | CAO | CAP | CAQ | 0.0° | 0.1° |
CAT | CAO | CAP | OAN | 178.8° | 179.9° |
CAT | CAO | CAP | OAU | 178.6° | 180.0° |
CAT | CAO | OAN | CAM | 173.4° | 162.7° |
CAO | CAT | CAS | H12 | 179.5° | 179.7° |
CAQ | CAP | CAO | OAU | 178.6° | 179.9° |
CAQ | CAP | CAO | OAN | 178.8° | 180.0° |
CAQ | CAP | OAU | CAM | 173.4° | 162.7° |
CAP | CAO | OAN | CAM | 7.9° | 17.3° |
CAO | CAP | OAU | CAM | 8.2° | 17.3° |
CAO | CAP | CAQ | H10 | 179.2° | 180.0° |
CAP | CAO | CAT | H11 | 179.4° | 180.0° |
OAN | CAO | CAP | OAU | 0.2° | 0.0° |
CAO | OAN | CAM | OAU | 13.2° | 27.1° |
CAO | OAN | CAM | FAL | 103.5° | 91.5° |
CAO | OAN | CAM | FAV | 137.8° | 145.7° |
OAN | CAO | CAT | H11 | 2.0° | 0.1° |
CAP | OAU | CAM | OAN | 13.3° | 27.2° |
CAP | OAU | CAM | FAL | 103.3° | 91.4° |
CAP | OAU | CAM | FAV | 137.9° | 145.8° |
OAU | CAP | CAQ | H10 | 2.5° | 0.0° |
OAN | CAM | OAU | FAL | 116.7° | 118.6° |
OAN | CAM | OAU | FAV | 124.6° | 118.7° |
OAN | CAM | FAL | FAV | 120.0° | 122.9° |
OAU | CAM | FAL | FAV | 120.1° | 122.7° |
H1 | CAA | H2 | H3 | 120.0° | 120.0° |
H1 | CAA | NAB | H4 | 0.0° | 0.0° |
H2 | CAA | NAB | H4 | 120.0° | 120.0° |
H3 | CAA | NAB | H4 | 120.0° | 120.1° |
H5 | CAG | CAH | H6 | 0.7° | 0.0° |
H6 | CAH | CAI | H7 | 0.4° | 0.1° |
H11 | CAT | CAS | H12 | 0.5° | 0.0° |