BZ0
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
CAY | CAZ | doub | 1.38Å | 1.40Å | Aromatic |
CAY | CAV | sing | 1.38Å | 1.40Å | Aromatic |
CAZ | CBA | sing | 1.38Å | 1.39Å | Aromatic |
CBA | CAX | doub | 1.38Å | 1.40Å | Aromatic |
CAX | CAW | sing | 1.38Å | 1.40Å | Aromatic |
CAW | CAV | doub | 1.38Å | 1.40Å | Aromatic |
CAV | CAU | sing | 1.51Å | 1.41Å | |
CAU | NAN | sing | 1.47Å | 1.50Å | |
NAN | CAO | sing | 1.37Å | 1.37Å | |
NAN | CAM | sing | 1.35Å | 1.36Å | |
CAO | NAP | sing | 1.37Å | 1.35Å | |
CAO | CAF | doub | 1.38Å | 1.41Å | |
CAM | OAL | doub | 1.22Å | 1.24Å | |
CAM | NAD | sing | 1.35Å | 1.40Å | |
NAD | CAE | sing | 1.35Å | 1.39Å | |
CAE | OAA | doub | 1.22Å | 1.22Å | |
CAE | CAF | sing | 1.41Å | 1.38Å | |
CAF | NAG | sing | 1.41Å | 1.35Å | |
NAG | CA0 | sing | 1.35Å | 1.37Å | |
OAC | CA0 | doub | 1.22Å | 1.22Å | |
CA0 | CAT | sing | 1.48Å | 1.39Å | |
CAT | CAS | sing | 1.40Å | 1.41Å | Aromatic |
CAT | CAK | doub | 1.40Å | 1.40Å | Aromatic |
CAS | CAR | doub | 1.38Å | 1.40Å | Aromatic |
CAR | CAI | sing | 1.38Å | 1.40Å | Aromatic |
CAI | CAJ | doub | 1.38Å | 1.40Å | Aromatic |
CAJ | CAK | sing | 1.38Å | 1.40Å | Aromatic |
CAY | HAY | sing | 1.08Å | 1.08Å | |
CAZ | HAZ | sing | 1.08Å | 1.08Å | |
CBA | HBA | sing | 1.08Å | 1.08Å | |
CAX | HAX | sing | 1.08Å | 1.08Å | |
CAW | HAW | sing | 1.08Å | 1.08Å | |
CAU | HAU1 | sing | 1.09Å | 1.10Å | |
CAU | HAU2 | sing | 1.09Å | 1.10Å | |
NAP | HAP1 | sing | 0.97Å | 1.00Å | |
NAP | HAP2 | sing | 0.97Å | 1.00Å | |
NAD | HAD | sing | 0.97Å | 1.00Å | |
NAG | HAG | sing | 0.97Å | 1.00Å | |
CAS | HAS | sing | 1.08Å | 1.08Å | |
CAK | HAK | sing | 1.08Å | 1.08Å | |
CAR | HAR | sing | 1.08Å | 1.08Å | |
CAI | HAI | sing | 1.08Å | 1.08Å | |
CAJ | HAJ | sing | 1.08Å | 1.08Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
CAZ | CAY | CAV | 120.7° | 120.0° |
CAY | CAZ | CBA | 120.4° | 120.0° |
CAZ | CAY | HAY | 119.6° | 120.0° |
CAY | CAZ | HAZ | 119.8° | 120.0° |
CAY | CAV | CAW | 118.8° | 120.0° |
CAY | CAV | CAU | 118.7° | 120.0° |
CAV | CAY | HAY | 119.7° | 120.0° |
CAZ | CBA | CAX | 119.4° | 119.9° |
CBA | CAZ | HAZ | 119.8° | 119.9° |
CAZ | CBA | HBA | 120.3° | 120.0° |
CBA | CAX | CAW | 120.6° | 120.0° |
CAX | CBA | HBA | 120.3° | 120.0° |
CBA | CAX | HAX | 119.7° | 120.0° |
CAX | CAW | CAV | 120.1° | 120.0° |
CAW | CAX | HAX | 119.7° | 120.0° |
CAX | CAW | HAW | 120.0° | 120.0° |
CAW | CAV | CAU | 122.4° | 120.0° |
CAV | CAW | HAW | 120.0° | 120.0° |
CAV | CAU | NAN | 114.1° | 109.4° |
CAV | CAU | HAU1 | 108.3° | 109.5° |
CAV | CAU | HAU2 | 108.3° | 109.5° |
CAU | NAN | CAO | 118.8° | 119.8° |
CAU | NAN | CAM | 121.1° | 119.8° |
NAN | CAU | HAU1 | 108.3° | 109.5° |
NAN | CAU | HAU2 | 108.3° | 109.5° |
CAO | NAN | CAM | 120.2° | 120.4° |
NAN | CAO | NAP | 123.0° | 120.4° |
NAN | CAO | CAF | 120.6° | 119.2° |
NAN | CAM | OAL | 122.8° | 119.4° |
NAN | CAM | NAD | 119.9° | 121.2° |
NAP | CAO | CAF | 116.3° | 120.3° |
CAO | NAP | HAP1 | 109.5° | 120.0° |
CAO | NAP | HAP2 | 109.4° | 120.0° |
CAO | CAF | CAE | 120.1° | 118.8° |
CAO | CAF | NAG | 120.1° | 120.6° |
OAL | CAM | NAD | 117.3° | 119.4° |
CAM | NAD | CAE | 121.0° | 120.7° |
CAM | NAD | HAD | 119.5° | 119.6° |
NAD | CAE | OAA | 120.7° | 120.3° |
NAD | CAE | CAF | 118.3° | 119.6° |
CAE | NAD | HAD | 119.5° | 119.6° |
OAA | CAE | CAF | 121.0° | 120.2° |
CAE | CAF | NAG | 119.8° | 120.6° |
CAF | NAG | CA0 | 117.2° | 120.0° |
CAF | NAG | HAG | 121.4° | 120.0° |
NAG | CA0 | OAC | 123.3° | 120.0° |
NAG | CA0 | CAT | 118.4° | 120.0° |
CA0 | NAG | HAG | 121.4° | 120.0° |
OAC | CA0 | CAT | 118.3° | 120.0° |
CA0 | CAT | CAS | 122.5° | 120.1° |
CA0 | CAT | CAK | 118.4° | 120.1° |
CAS | CAT | CAK | 119.1° | 119.7° |
CAT | CAS | CAR | 120.4° | 119.8° |
CAT | CAS | HAS | 119.8° | 120.1° |
CAT | CAK | CAJ | 120.1° | 119.8° |
CAT | CAK | HAK | 119.9° | 120.1° |
CAS | CAR | CAI | 120.5° | 120.1° |
CAR | CAS | HAS | 119.8° | 120.1° |
CAS | CAR | HAR | 119.8° | 119.9° |
CAR | CAI | CAJ | 119.1° | 120.3° |
CAI | CAR | HAR | 119.8° | 120.0° |
CAR | CAI | HAI | 120.4° | 119.9° |
CAI | CAJ | CAK | 120.8° | 120.1° |
CAJ | CAI | HAI | 120.5° | 119.8° |
CAI | CAJ | HAJ | 119.6° | 120.0° |
CAJ | CAK | HAK | 119.9° | 120.1° |
CAK | CAJ | HAJ | 119.6° | 119.9° |
HAU1 | CAU | HAU2 | 109.5° | 109.5° |
HAP1 | NAP | HAP2 | 109.5° | 120.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
CAZ | CAY | CAV | HAY | 180.0° | 180.0° |
CAY | CAZ | CBA | HAZ | 180.0° | 179.9° |
CAY | CAZ | CBA | CAX | 0.6° | 0.1° |
CAZ | CAY | CAV | CAW | 0.4° | 0.0° |
CAZ | CAY | CAV | CAU | 179.9° | 179.7° |
CAY | CAZ | CBA | HBA | 179.4° | 179.9° |
CAV | CAY | CAZ | CBA | 0.7° | 0.1° |
CAY | CAV | CAW | CAX | 0.1° | 0.0° |
CAY | CAV | CAW | CAU | 179.7° | 179.7° |
CAY | CAV | CAU | NAN | 150.0° | 90.3° |
CAV | CAY | CAZ | HAZ | 179.3° | 180.0° |
CAY | CAV | CAW | HAW | 179.9° | 179.7° |
CAY | CAV | CAU | HAU1 | 29.3° | 29.7° |
CAY | CAV | CAU | HAU2 | 89.3° | 149.8° |
CAZ | CBA | CAX | HBA | 180.0° | 179.8° |
CAZ | CBA | CAX | CAW | 0.3° | 0.1° |
CBA | CAZ | CAY | HAY | 179.3° | 179.9° |
CAZ | CBA | CAX | HAX | 179.8° | 179.9° |
CBA | CAX | CAW | HAX | 180.0° | 180.0° |
CBA | CAX | CAW | CAV | 0.0° | 0.0° |
CAX | CBA | CAZ | HAZ | 179.4° | 180.0° |
CBA | CAX | CAW | HAW | 180.0° | 179.7° |
CAX | CAW | CAV | HAW | 180.0° | 179.7° |
CAX | CAW | CAV | CAU | 179.8° | 179.7° |
CAW | CAX | CBA | HBA | 179.7° | 179.9° |
CAW | CAV | CAU | NAN | 30.3° | 90.0° |
CAW | CAV | CAY | HAY | 179.5° | 180.0° |
CAV | CAW | CAX | HAX | 180.0° | 180.0° |
CAW | CAV | CAU | HAU1 | 151.0° | 150.0° |
CAW | CAV | CAU | HAU2 | 90.4° | 29.9° |
CAV | CAU | NAN | HAU1 | 120.7° | 120.1° |
CAV | CAU | NAN | HAU2 | 120.7° | 120.0° |
CAV | CAU | NAN | CAO | 117.2° | 90.1° |
CAV | CAU | NAN | CAM | 62.9° | 90.3° |
CAU | CAV | CAY | HAY | 0.2° | 0.3° |
CAU | CAV | CAW | HAW | 0.2° | 0.0° |
CAV | CAU | HAU1 | HAU2 | 117.9° | 120.0° |
CAU | NAN | CAO | CAM | 179.9° | 179.7° |
CAU | NAN | CAO | NAP | 0.1° | 0.1° |
CAU | NAN | CAO | CAF | 180.0° | 180.0° |
CAU | NAN | CAM | OAL | 0.4° | 0.0° |
CAU | NAN | CAM | NAD | 179.5° | 180.0° |
NAN | CAU | HAU1 | HAU2 | 117.9° | 120.0° |
NAN | CAO | NAP | CAF | 179.8° | 179.9° |
CAO | NAN | CAM | OAL | 179.7° | 179.7° |
CAO | NAN | CAM | NAD | 0.6° | 0.3° |
NAN | CAO | CAF | CAE | 0.0° | 0.1° |
NAN | CAO | CAF | NAG | 178.5° | 180.0° |
CAO | NAN | CAU | HAU1 | 122.1° | 30.0° |
CAO | NAN | CAU | HAU2 | 3.5° | 150.0° |
NAN | CAO | NAP | HAP1 | 180.0° | 0.1° |
NAN | CAO | NAP | HAP2 | 60.0° | 180.0° |
CAM | NAN | CAO | NAP | 180.0° | 179.7° |
CAM | NAN | CAO | CAF | 0.2° | 0.3° |
NAN | CAM | OAL | NAD | 179.1° | 179.9° |
NAN | CAM | NAD | CAE | 1.0° | 0.1° |
CAM | NAN | CAU | HAU1 | 57.8° | 149.7° |
CAM | NAN | CAU | HAU2 | 176.4° | 29.7° |
NAN | CAM | NAD | HAD | 179.0° | 180.0° |
NAP | CAO | CAF | CAE | 179.8° | 180.0° |
NAP | CAO | CAF | NAG | 1.3° | 0.0° |
CAO | NAP | HAP1 | HAP2 | 120.0° | 179.9° |
CAO | CAF | CAE | NAD | 0.3° | 0.2° |
CAO | CAF | CAE | OAA | 179.7° | 180.0° |
CAO | CAF | CAE | NAG | 178.5° | 180.0° |
CAO | CAF | NAG | CA0 | 110.7° | 120.5° |
CAF | CAO | NAP | HAP1 | 0.2° | 180.0° |
CAF | CAO | NAP | HAP2 | 120.2° | 0.0° |
CAO | CAF | NAG | HAG | 69.3° | 59.5° |
OAL | CAM | NAD | CAE | 179.9° | 180.0° |
OAL | CAM | NAD | HAD | 0.1° | 0.1° |
CAM | NAD | CAE | HAD | 180.0° | 179.9° |
CAM | NAD | CAE | OAA | 179.8° | 179.9° |
CAM | NAD | CAE | CAF | 0.8° | 0.2° |
NAD | CAE | OAA | CAF | 179.4° | 179.8° |
NAD | CAE | CAF | NAG | 178.2° | 179.8° |
OAA | CAE | CAF | NAG | 1.2° | 0.0° |
OAA | CAE | NAD | HAD | 0.2° | 0.0° |
CAE | CAF | NAG | CA0 | 67.8° | 59.5° |
CAF | CAE | NAD | HAD | 179.2° | 179.7° |
CAE | CAF | NAG | HAG | 112.2° | 120.5° |
CAF | NAG | CA0 | HAG | 180.0° | 180.0° |
CAF | NAG | CA0 | OAC | 2.6° | 4.7° |
CAF | NAG | CA0 | CAT | 175.5° | 175.3° |
NAG | CA0 | OAC | CAT | 178.1° | 180.0° |
NAG | CA0 | CAT | CAS | 40.1° | 180.0° |
NAG | CA0 | CAT | CAK | 139.6° | 0.3° |
OAC | CA0 | CAT | CAS | 141.6° | 0.0° |
OAC | CA0 | CAT | CAK | 38.6° | 179.7° |
OAC | CA0 | NAG | HAG | 177.4° | 175.2° |
CA0 | CAT | CAS | CAK | 179.8° | 179.7° |
CA0 | CAT | CAS | CAR | 179.8° | 180.0° |
CA0 | CAT | CAK | CAJ | 179.8° | 179.7° |
CAT | CA0 | NAG | HAG | 4.5° | 4.8° |
CA0 | CAT | CAS | HAS | 0.2° | 0.1° |
CA0 | CAT | CAK | HAK | 0.2° | 0.0° |
CAT | CAS | CAR | HAS | 180.0° | 180.0° |
CAT | CAS | CAR | CAI | 0.2° | 0.0° |
CAS | CAT | CAK | CAJ | 0.4° | 0.5° |
CAS | CAT | CAK | HAK | 179.6° | 179.7° |
CAT | CAS | CAR | HAR | 179.8° | 180.0° |
CAK | CAT | CAS | CAR | 0.0° | 0.3° |
CAT | CAK | CAJ | CAI | 0.7° | 0.6° |
CAT | CAK | CAJ | HAK | 180.0° | 179.7° |
CAK | CAT | CAS | HAS | 180.0° | 179.8° |
CAT | CAK | CAJ | HAJ | 179.3° | 179.7° |
CAS | CAR | CAI | HAR | 180.0° | 180.0° |
CAS | CAR | CAI | CAJ | 0.0° | 0.1° |
CAS | CAR | CAI | HAI | 180.0° | 179.9° |
CAR | CAI | CAJ | HAI | 180.0° | 179.9° |
CAR | CAI | CAJ | CAK | 0.5° | 0.3° |
CAI | CAR | CAS | HAS | 179.8° | 180.0° |
CAR | CAI | CAJ | HAJ | 179.6° | 179.9° |
CAI | CAJ | CAK | HAJ | 180.0° | 179.7° |
CAI | CAJ | CAK | HAK | 179.3° | 179.7° |
CAJ | CAI | CAR | HAR | 180.0° | 180.0° |
CAK | CAJ | CAI | HAI | 179.5° | 179.8° |
HAY | CAY | CAZ | HAZ | 0.7° | 0.1° |
HAZ | CAZ | CBA | HBA | 0.6° | 0.2° |
HBA | CBA | CAX | HAX | 0.2° | 0.1° |
HAX | CAX | CAW | HAW | 0.0° | 0.3° |
HAS | CAS | CAR | HAR | 0.2° | 0.1° |
HAK | CAK | CAJ | HAJ | 0.6° | 0.0° |
HAR | CAR | CAI | HAI | 0.0° | 0.1° |
HAI | CAI | CAJ | HAJ | 0.4° | 0.1° |