9J5
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
CAV | CAU | sing | 1.51Å | 1.46Å | |
CAZ | CAY | sing | 1.53Å | 1.49Å | |
OBD | CBE | sing | 1.43Å | 1.45Å | |
OBD | CAP | sing | 1.36Å | 1.38Å | |
NAT | CAU | doub | 1.31Å | 1.33Å | Aromatic |
NAT | NAS | sing | 1.29Å | 1.34Å | Aromatic |
CAU | NAL | sing | 1.36Å | 1.47Å | Aromatic |
CAO | CAP | doub | 1.38Å | 1.43Å | Aromatic |
CAO | CAM | sing | 1.39Å | 1.44Å | Aromatic |
CAY | CAW | sing | 1.53Å | 1.53Å | |
NAS | CAK | doub | 1.30Å | 1.35Å | Aromatic |
CAP | CAQ | sing | 1.39Å | 1.38Å | Aromatic |
NAL | CAK | sing | 1.36Å | 1.42Å | Aromatic |
NAL | CAM | sing | 1.39Å | 1.50Å | |
CAK | CAJ | sing | 1.51Å | 1.47Å | |
CAM | CAN | doub | 1.40Å | 1.42Å | Aromatic |
CAQ | CAR | doub | 1.37Å | 1.42Å | Aromatic |
CAW | CAJ | sing | 1.53Å | 1.58Å | |
CAW | CAX | sing | 1.51Å | 1.56Å | |
CAJ | NAI | sing | 1.47Å | 1.51Å | |
CAN | CAR | sing | 1.40Å | 1.40Å | Aromatic |
CAN | CAH | sing | 1.47Å | 1.51Å | |
CAX | OBA | sing | 1.34Å | 1.34Å | |
CAX | OBB | doub | 1.21Å | 1.24Å | |
OBA | CBC | sing | 1.45Å | 1.43Å | |
NAI | CAH | doub | 1.29Å | 1.27Å | |
CAH | CAE | sing | 1.48Å | 1.57Å | |
CAE | CAD | doub | 1.39Å | 1.37Å | Aromatic |
CAE | CAF | sing | 1.39Å | 1.39Å | Aromatic |
CAD | CAC | sing | 1.38Å | 1.40Å | Aromatic |
CAF | CAG | doub | 1.38Å | 1.41Å | Aromatic |
CAC | CAB | doub | 1.39Å | 1.35Å | Aromatic |
CAG | CAB | sing | 1.38Å | 1.37Å | Aromatic |
CAB | CLA | sing | 1.74Å | 1.76Å | |
CBC | HBC | sing | 1.09Å | 1.10Å | |
CBC | HBE | sing | 1.09Å | 1.10Å | |
CBC | HBD | sing | 1.09Å | 1.10Å | |
CAW | HAY | sing | 1.09Å | 1.10Å | |
CAY | HAZ | sing | 1.09Å | 1.10Å | |
CAY | HA0 | sing | 1.09Å | 1.10Å | |
CAZ | HA2 | sing | 1.09Å | 1.10Å | |
CAZ | HA1 | sing | 1.09Å | 1.10Å | |
CAZ | HA3 | sing | 1.09Å | 1.10Å | |
CAJ | HAJ | sing | 1.09Å | 1.10Å | |
CAV | HAX | sing | 1.09Å | 1.10Å | |
CAV | HAV | sing | 1.09Å | 1.10Å | |
CAV | HAW | sing | 1.09Å | 1.10Å | |
CAO | HAO | sing | 1.08Å | 1.08Å | |
CBE | HBF | sing | 1.09Å | 1.10Å | |
CBE | HBG | sing | 1.09Å | 1.10Å | |
CBE | HBH | sing | 1.09Å | 1.10Å | |
CAQ | HAQ | sing | 1.08Å | 1.08Å | |
CAR | HAR | sing | 1.08Å | 1.08Å | |
CAD | HAD | sing | 1.08Å | 1.08Å | |
CAC | HAC | sing | 1.08Å | 1.08Å | |
CAG | HAG | sing | 1.08Å | 1.08Å | |
CAF | HAF | sing | 1.08Å | 1.08Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
CAV | CAU | NAT | 124.2° | 126.6° |
CAV | CAU | NAL | 127.6° | 126.5° |
CAU | CAV | HAX | 109.5° | 109.5° |
CAU | CAV | HAV | 109.5° | 109.5° |
CAU | CAV | HAW | 109.4° | 109.5° |
CAZ | CAY | CAW | 116.9° | 109.4° |
CAZ | CAY | HAZ | 107.6° | 109.5° |
CAZ | CAY | HA0 | 107.6° | 109.4° |
CAY | CAZ | HA2 | 109.5° | 109.5° |
CAY | CAZ | HA1 | 109.5° | 109.4° |
CAY | CAZ | HA3 | 109.5° | 109.4° |
CBE | OBD | CAP | 120.2° | 117.0° |
OBD | CBE | HBF | 109.5° | 109.5° |
OBD | CBE | HBG | 109.5° | 109.5° |
OBD | CBE | HBH | 109.5° | 109.5° |
OBD | CAP | CAO | 123.0° | 120.1° |
OBD | CAP | CAQ | 121.3° | 120.1° |
CAU | NAT | NAS | 110.2° | 109.9° |
NAT | CAU | NAL | 108.2° | 106.9° |
NAT | NAS | CAK | 109.7° | 109.6° |
CAU | NAL | CAK | 103.1° | 106.1° |
CAU | NAL | CAM | 135.1° | 127.8° |
CAP | CAO | CAM | 123.5° | 120.5° |
CAO | CAP | CAQ | 115.7° | 119.8° |
CAP | CAO | HAO | 118.3° | 119.8° |
CAO | CAM | NAL | 119.0° | 118.3° |
CAO | CAM | CAN | 119.3° | 119.9° |
CAM | CAO | HAO | 118.2° | 119.7° |
CAY | CAW | CAJ | 109.4° | 109.5° |
CAY | CAW | CAX | 111.9° | 109.5° |
CAY | CAW | HAY | 108.4° | 109.4° |
CAW | CAY | HAZ | 107.6° | 109.5° |
CAW | CAY | HA0 | 107.6° | 109.5° |
NAS | CAK | NAL | 108.8° | 107.4° |
NAS | CAK | CAJ | 130.8° | 127.5° |
CAP | CAQ | CAR | 121.0° | 120.2° |
CAP | CAQ | HAQ | 119.5° | 119.9° |
CAK | NAL | CAM | 121.8° | 126.0° |
NAL | CAK | CAJ | 120.5° | 125.1° |
NAL | CAM | CAN | 121.7° | 121.8° |
CAK | CAJ | CAW | 115.9° | 109.8° |
CAK | CAJ | NAI | 111.8° | 107.7° |
CAK | CAJ | HAJ | 105.1° | 109.9° |
CAM | CAN | CAR | 115.8° | 119.0° |
CAM | CAN | CAH | 127.8° | 123.0° |
CAQ | CAR | CAN | 124.7° | 120.6° |
CAR | CAQ | HAQ | 119.5° | 119.9° |
CAQ | CAR | HAR | 117.7° | 119.7° |
CAJ | CAW | CAX | 111.2° | 109.5° |
CAW | CAJ | NAI | 113.9° | 109.8° |
CAJ | CAW | HAY | 107.7° | 109.5° |
CAW | CAJ | HAJ | 104.0° | 109.8° |
CAW | CAX | OBA | 123.4° | 120.0° |
CAW | CAX | OBB | 119.1° | 120.0° |
CAX | CAW | HAY | 108.1° | 109.4° |
CAJ | NAI | CAH | 121.9° | 121.9° |
NAI | CAJ | HAJ | 104.7° | 109.8° |
CAR | CAN | CAH | 116.5° | 118.0° |
CAN | CAR | HAR | 117.7° | 119.7° |
CAN | CAH | NAI | 122.1° | 127.9° |
CAN | CAH | CAE | 121.4° | 116.1° |
OBA | CAX | OBB | 117.5° | 120.0° |
CAX | OBA | CBC | 121.9° | 117.0° |
OBA | CBC | HBC | 109.5° | 109.5° |
OBA | CBC | HBE | 109.5° | 109.4° |
OBA | CBC | HBD | 109.4° | 109.5° |
NAI | CAH | CAE | 115.0° | 116.0° |
CAH | CAE | CAD | 121.5° | 120.2° |
CAH | CAE | CAF | 122.4° | 120.1° |
CAD | CAE | CAF | 116.1° | 119.7° |
CAE | CAD | CAC | 123.1° | 119.9° |
CAE | CAD | HAD | 118.5° | 120.0° |
CAE | CAF | CAG | 122.4° | 119.9° |
CAE | CAF | HAF | 118.8° | 120.1° |
CAD | CAC | CAB | 118.6° | 120.1° |
CAC | CAD | HAD | 118.5° | 120.1° |
CAD | CAC | HAC | 120.7° | 120.0° |
CAF | CAG | CAB | 117.7° | 120.1° |
CAF | CAG | HAG | 121.2° | 120.0° |
CAG | CAF | HAF | 118.8° | 120.0° |
CAC | CAB | CAG | 122.2° | 120.2° |
CAC | CAB | CLA | 120.5° | 119.9° |
CAB | CAC | HAC | 120.7° | 119.9° |
CAG | CAB | CLA | 117.3° | 119.9° |
CAB | CAG | HAG | 121.2° | 119.9° |
HBC | CBC | HBE | 109.5° | 109.5° |
HBC | CBC | HBD | 109.5° | 109.5° |
HBE | CBC | HBD | 109.5° | 109.4° |
HAZ | CAY | HA0 | 109.4° | 109.5° |
HA2 | CAZ | HA1 | 109.5° | 109.5° |
HA2 | CAZ | HA3 | 109.5° | 109.5° |
HA1 | CAZ | HA3 | 109.4° | 109.5° |
HAX | CAV | HAV | 109.4° | 109.5° |
HAX | CAV | HAW | 109.5° | 109.4° |
HAV | CAV | HAW | 109.5° | 109.5° |
HBF | CBE | HBG | 109.5° | 109.5° |
HBF | CBE | HBH | 109.5° | 109.5° |
HBG | CBE | HBH | 109.4° | 109.4° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
CAV | CAU | NAT | NAL | 179.1° | 179.9° |
CAV | CAU | NAT | NAS | 179.2° | 179.2° |
CAV | CAU | NAL | CAK | 179.0° | 178.2° |
CAV | CAU | NAL | CAM | 0.8° | 3.5° |
CAU | CAV | HAX | HAV | 120.0° | 120.0° |
CAU | CAV | HAX | HAW | 120.0° | 120.0° |
CAU | CAV | HAV | HAW | 120.0° | 120.1° |
CAZ | CAY | CAW | HAZ | 121.1° | 120.0° |
CAZ | CAY | CAW | HA0 | 121.1° | 119.9° |
CAZ | CAY | CAW | CAJ | 40.2° | 175.0° |
CAZ | CAY | CAW | CAX | 83.5° | 65.0° |
CAZ | CAY | CAW | HAY | 157.4° | 55.0° |
CAZ | CAY | HAZ | HA0 | 116.6° | 120.0° |
CAY | CAZ | HA2 | HA1 | 120.0° | 120.0° |
CAY | CAZ | HA2 | HA3 | 120.0° | 119.9° |
CAY | CAZ | HA1 | HA3 | 120.0° | 119.9° |
CBE | OBD | CAP | CAO | 179.6° | 180.0° |
CBE | OBD | CAP | CAQ | 0.3° | 0.0° |
OBD | CBE | HBF | HBG | 120.0° | 120.0° |
OBD | CBE | HBF | HBH | 120.0° | 120.0° |
OBD | CBE | HBG | HBH | 120.0° | 120.0° |
OBD | CAP | CAO | CAQ | 179.9° | 180.0° |
OBD | CAP | CAO | CAM | 179.2° | 179.9° |
OBD | CAP | CAQ | CAR | 179.9° | 179.2° |
OBD | CAP | CAO | HAO | 0.8° | 0.2° |
CAP | OBD | CBE | HBF | 180.0° | 59.9° |
CAP | OBD | CBE | HBG | 60.0° | 60.1° |
CAP | OBD | CBE | HBH | 60.0° | 180.0° |
OBD | CAP | CAQ | HAQ | 0.1° | 0.7° |
CAU | NAT | NAS | CAK | 0.3° | 0.6° |
NAT | CAU | NAL | CAK | 0.1° | 1.9° |
NAT | CAU | NAL | CAM | 179.8° | 176.4° |
NAT | CAU | CAV | HAX | 0.0° | 89.9° |
NAT | CAU | CAV | HAV | 120.0° | 150.0° |
NAT | CAU | CAV | HAW | 120.0° | 30.0° |
NAS | NAT | CAU | NAL | 0.1° | 0.8° |
NAT | NAS | CAK | NAL | 0.3° | 1.8° |
NAT | NAS | CAK | CAJ | 179.2° | 177.9° |
CAU | NAL | CAM | CAO | 39.2° | 34.5° |
CAU | NAL | CAK | NAS | 0.2° | 2.2° |
CAU | NAL | CAK | CAM | 179.8° | 178.3° |
CAU | NAL | CAK | CAJ | 179.3° | 177.5° |
CAU | NAL | CAM | CAN | 142.5° | 145.8° |
NAL | CAU | CAV | HAX | 178.9° | 90.0° |
NAL | CAU | CAV | HAV | 61.1° | 30.0° |
NAL | CAU | CAV | HAW | 58.9° | 150.1° |
CAP | CAO | CAM | HAO | 180.0° | 180.0° |
CAP | CAO | CAM | NAL | 179.6° | 178.3° |
CAP | CAO | CAM | CAN | 1.3° | 1.4° |
CAO | CAP | CAQ | CAR | 0.2° | 0.7° |
CAO | CAP | CAQ | HAQ | 179.8° | 179.3° |
CAM | CAO | CAP | CAQ | 0.8° | 0.1° |
CAO | CAM | NAL | CAK | 140.5° | 143.4° |
CAO | CAM | NAL | CAN | 178.3° | 179.7° |
CAO | CAM | CAN | CAR | 1.1° | 2.2° |
CAO | CAM | CAN | CAH | 179.3° | 175.8° |
CAY | CAW | CAJ | CAK | 49.4° | 62.4° |
CAY | CAW | CAJ | CAX | 124.1° | 120.0° |
CAY | CAW | CAJ | HAY | 117.6° | 120.0° |
CAY | CAW | CAX | HAY | 119.2° | 119.9° |
CAY | CAW | CAJ | NAI | 178.8° | 179.3° |
CAY | CAW | CAX | OBA | 98.1° | 117.5° |
CAY | CAW | CAX | OBB | 82.2° | 62.4° |
CAW | CAY | HAZ | HA0 | 116.6° | 120.0° |
CAW | CAY | CAZ | HA2 | 180.0° | 60.0° |
CAW | CAY | CAZ | HA1 | 60.0° | 60.0° |
CAW | CAY | CAZ | HA3 | 60.0° | 180.0° |
CAY | CAW | CAJ | HAJ | 65.4° | 58.5° |
NAS | CAK | NAL | CAJ | 179.0° | 179.7° |
NAS | CAK | NAL | CAM | 180.0° | 176.1° |
NAS | CAK | CAJ | CAW | 20.4° | 119.4° |
NAS | CAK | CAJ | NAI | 112.4° | 121.0° |
NAS | CAK | CAJ | HAJ | 134.6° | 1.4° |
CAP | CAQ | CAR | HAQ | 180.0° | 180.0° |
CAP | CAQ | CAR | CAN | 0.1° | 0.1° |
CAQ | CAP | CAO | HAO | 179.2° | 179.9° |
CAP | CAQ | CAR | HAR | 179.9° | 180.0° |
CAK | NAL | CAM | CAN | 37.8° | 36.3° |
NAL | CAK | CAJ | CAW | 160.8° | 60.9° |
NAL | CAK | CAJ | NAI | 66.4° | 58.6° |
NAL | CAK | CAJ | HAJ | 46.6° | 178.2° |
CAM | NAL | CAK | CAJ | 1.0° | 4.2° |
NAL | CAM | CAN | CAR | 179.4° | 177.5° |
NAL | CAM | CAN | CAH | 1.1° | 4.6° |
NAL | CAM | CAO | HAO | 0.4° | 1.6° |
CAK | CAJ | CAW | NAI | 131.8° | 118.3° |
CAK | CAJ | CAW | HAJ | 114.8° | 120.9° |
CAK | CAJ | CAW | CAX | 173.5° | 177.6° |
CAK | CAJ | NAI | HAJ | 113.3° | 119.6° |
CAK | CAJ | NAI | CAH | 69.1° | 61.1° |
CAK | CAJ | CAW | HAY | 68.2° | 57.6° |
CAM | CAN | CAR | CAQ | 0.6° | 1.5° |
CAM | CAN | CAR | CAH | 179.6° | 178.0° |
CAM | CAN | CAH | NAI | 38.7° | 41.8° |
CAM | CAN | CAH | CAE | 126.3° | 138.2° |
CAN | CAM | CAO | HAO | 178.7° | 178.7° |
CAM | CAN | CAR | HAR | 179.4° | 178.6° |
CAQ | CAR | CAN | HAR | 180.0° | 179.9° |
CAQ | CAR | CAN | CAH | 179.8° | 176.5° |
CAJ | CAW | CAX | HAY | 118.1° | 120.1° |
CAW | CAJ | NAI | HAJ | 113.0° | 120.8° |
CAJ | CAW | CAX | OBA | 24.6° | 122.5° |
CAJ | CAW | CAX | OBB | 155.1° | 57.6° |
CAW | CAJ | NAI | CAH | 157.1° | 58.4° |
CAJ | CAW | CAY | HAZ | 80.9° | 55.0° |
CAJ | CAW | CAY | HA0 | 161.3° | 65.1° |
CAX | CAW | CAJ | NAI | 54.7° | 59.3° |
CAW | CAX | OBA | OBB | 179.7° | 179.9° |
CAW | CAX | OBA | CBC | 179.6° | 174.8° |
CAX | CAW | CAY | HAZ | 155.4° | 175.0° |
CAX | CAW | CAY | HA0 | 37.6° | 55.0° |
CAX | CAW | CAJ | HAJ | 58.7° | 61.5° |
CAJ | NAI | CAH | CAN | 2.5° | 1.2° |
CAJ | NAI | CAH | CAE | 168.4° | 178.7° |
NAI | CAJ | CAW | HAY | 63.6° | 60.7° |
CAR | CAN | CAH | NAI | 141.8° | 140.2° |
CAR | CAN | CAH | CAE | 53.2° | 39.8° |
CAN | CAR | CAQ | HAQ | 179.9° | 179.9° |
CAN | CAH | NAI | CAE | 165.9° | 180.0° |
CAN | CAH | CAE | CAD | 30.4° | 153.6° |
CAN | CAH | CAE | CAF | 148.2° | 26.6° |
CAH | CAN | CAR | HAR | 0.2° | 3.4° |
CAX | OBA | CBC | HBC | 180.0° | 64.4° |
CAX | OBA | CBC | HBE | 60.0° | 55.6° |
CAX | OBA | CBC | HBD | 60.0° | 175.5° |
OBA | CAX | CAW | HAY | 142.7° | 2.4° |
OBB | CAX | OBA | CBC | 0.1° | 5.1° |
OBB | CAX | CAW | HAY | 37.0° | 177.6° |
OBA | CBC | HBC | HBE | 120.0° | 120.0° |
OBA | CBC | HBC | HBD | 120.0° | 120.1° |
OBA | CBC | HBE | HBD | 120.0° | 119.9° |
NAI | CAH | CAE | CAD | 135.6° | 26.3° |
NAI | CAH | CAE | CAF | 45.8° | 153.4° |
CAH | NAI | CAJ | HAJ | 44.1° | 179.2° |
CAH | CAE | CAD | CAF | 178.6° | 179.8° |
CAH | CAE | CAD | CAC | 179.5° | 180.0° |
CAH | CAE | CAF | CAG | 179.4° | 179.8° |
CAH | CAE | CAD | HAD | 0.5° | 0.0° |
CAH | CAE | CAF | HAF | 0.6° | 0.1° |
CAE | CAD | CAC | HAD | 180.0° | 180.0° |
CAD | CAE | CAF | CAG | 0.8° | 0.4° |
CAE | CAD | CAC | CAB | 0.6° | 0.0° |
CAE | CAD | CAC | HAC | 179.4° | 180.0° |
CAD | CAE | CAF | HAF | 179.2° | 179.7° |
CAF | CAE | CAD | CAC | 0.8° | 0.2° |
CAE | CAF | CAG | HAF | 180.0° | 179.9° |
CAE | CAF | CAG | CAB | 0.5° | 0.4° |
CAF | CAE | CAD | HAD | 179.2° | 179.8° |
CAE | CAF | CAG | HAG | 179.5° | 179.8° |
CAD | CAC | CAB | HAC | 180.0° | 180.0° |
CAD | CAC | CAB | CAG | 0.2° | 0.0° |
CAD | CAC | CAB | CLA | 180.0° | 180.0° |
CAF | CAG | CAB | CAC | 0.2° | 0.2° |
CAF | CAG | CAB | HAG | 180.0° | 179.8° |
CAF | CAG | CAB | CLA | 179.9° | 179.8° |
CAC | CAB | CAG | CLA | 179.8° | 180.0° |
CAB | CAC | CAD | HAD | 179.4° | 180.0° |
CAC | CAB | CAG | HAG | 179.8° | 180.0° |
CAG | CAB | CAC | HAC | 179.8° | 179.9° |
CAB | CAG | CAF | HAF | 179.5° | 179.7° |
CLA | CAB | CAC | HAC | 0.0° | 0.0° |
CLA | CAB | CAG | HAG | 0.0° | 0.0° |
HBC | CBC | HBE | HBD | 120.0° | 120.0° |
HAY | CAW | CAY | HAZ | 36.3° | 65.0° |
HAY | CAW | CAY | HA0 | 81.5° | 174.9° |
HAY | CAW | CAJ | HAJ | 177.0° | 178.5° |
HAZ | CAY | CAZ | HA2 | 58.9° | NaN° |
HAZ | CAY | CAZ | HA1 | 61.1° | 59.9° |
HAZ | CAY | CAZ | HA3 | 178.9° | 60.0° |
HA0 | CAY | CAZ | HA2 | 58.9° | 59.9° |
HA0 | CAY | CAZ | HA1 | 178.9° | NaN° |
HA0 | CAY | CAZ | HA3 | 61.1° | 60.0° |
HA2 | CAZ | HA1 | HA3 | 120.0° | 120.0° |
HAX | CAV | HAV | HAW | 120.0° | 119.9° |
HBF | CBE | HBG | HBH | 120.0° | 120.0° |
HAQ | CAQ | CAR | HAR | 0.1° | 0.0° |
HAD | CAD | CAC | HAC | 0.6° | 0.0° |
HAG | CAG | CAF | HAF | 0.5° | 0.1° |