8ZH
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
CAW | NAX | sing | 1.47Å | 1.47Å | |
CAW | CAV | sing | 1.53Å | 1.52Å | |
CAY | NAX | sing | 1.47Å | 1.47Å | |
CAY | CAZ | sing | 1.53Å | 1.53Å | |
CAV | CAU | sing | 1.53Å | 1.51Å | |
OAS | CAR | doub | 1.22Å | 1.23Å | |
CAZ | CAU | sing | 1.53Å | 1.53Å | |
CAU | NAT | sing | 1.47Å | 1.47Å | |
CAR | NAT | sing | 1.35Å | 1.34Å | |
CAR | CAN | sing | 1.48Å | 1.39Å | |
CAM | CAN | doub | 1.39Å | 1.39Å | Aromatic |
CAM | CAL | sing | 1.39Å | 1.39Å | Aromatic |
CAN | CAO | sing | 1.40Å | 1.39Å | Aromatic |
NAK | CAL | sing | 1.40Å | 1.35Å | |
NAK | CAJ | sing | 1.38Å | 1.35Å | |
NAI | CAJ | doub | 1.30Å | 1.35Å | Aromatic |
NAI | CAH | sing | 1.31Å | 1.36Å | Aromatic |
CAL | CAQ | doub | 1.39Å | 1.39Å | Aromatic |
CAJ | SBA | sing | 1.71Å | 1.68Å | Aromatic |
CAH | CAG | doub | 1.37Å | 1.34Å | Aromatic |
CAO | CAP | doub | 1.38Å | 1.38Å | Aromatic |
CAQ | CAP | sing | 1.38Å | 1.39Å | Aromatic |
CAG | SBA | sing | 1.76Å | 1.68Å | Aromatic |
CAG | CAE | sing | 1.46Å | 1.35Å | |
CL | CBB | sing | 1.74Å | 1.73Å | |
NAD | CAE | sing | 1.35Å | 1.36Å | |
NAD | CAC | sing | 1.40Å | 1.36Å | |
CAE | OAF | doub | 1.22Å | 1.23Å | |
CBB | CAC | doub | 1.39Å | 1.40Å | Aromatic |
CBB | CBC | sing | 1.38Å | 1.39Å | Aromatic |
CAC | CAB | sing | 1.39Å | 1.40Å | Aromatic |
CBC | CBD | doub | 1.38Å | 1.39Å | Aromatic |
CAB | CAA | sing | 1.51Å | 1.40Å | |
CAB | CBE | doub | 1.38Å | 1.39Å | Aromatic |
CBD | CBE | sing | 1.38Å | 1.39Å | Aromatic |
CAV | H1 | sing | 1.09Å | 1.10Å | |
CAV | H2 | sing | 1.09Å | 1.10Å | |
CAW | H3 | sing | 1.09Å | 1.10Å | |
CAW | H4 | sing | 1.09Å | 1.10Å | |
NAX | H5 | sing | 1.01Å | 1.00Å | |
CAY | H7 | sing | 1.09Å | 1.10Å | |
CAY | H8 | sing | 1.09Å | 1.10Å | |
CAZ | H9 | sing | 1.09Å | 1.10Å | |
CAZ | H10 | sing | 1.09Å | 1.10Å | |
CAU | H11 | sing | 1.09Å | 1.10Å | |
NAT | H12 | sing | 0.97Å | 1.00Å | |
CAM | H13 | sing | 1.08Å | 1.08Å | |
CAO | H14 | sing | 1.08Å | 1.08Å | |
CAP | H15 | sing | 1.08Å | 1.08Å | |
CAQ | H16 | sing | 1.08Å | 1.08Å | |
NAK | H17 | sing | 0.97Å | 1.00Å | |
CAH | H18 | sing | 1.08Å | 1.08Å | |
NAD | H19 | sing | 0.97Å | 1.00Å | |
CBC | H20 | sing | 1.08Å | 1.08Å | |
CBD | H21 | sing | 1.08Å | 1.08Å | |
CBE | H22 | sing | 1.08Å | 1.08Å | |
CAA | H23 | sing | 1.09Å | 1.10Å | |
CAA | H24 | sing | 1.09Å | 1.10Å | |
CAA | H25 | sing | 1.09Å | 1.10Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
NAX | CAW | CAV | 111.6° | 109.5° |
CAW | NAX | CAY | 110.7° | 111.2° |
NAX | CAW | H3 | 108.9° | 109.5° |
NAX | CAW | H4 | 108.9° | 109.5° |
CAW | NAX | H5 | 109.2° | 111.0° |
CAW | CAV | CAU | 107.2° | 109.3° |
CAW | CAV | H1 | 110.0° | 109.5° |
CAW | CAV | H2 | 110.0° | 109.5° |
CAV | CAW | H3 | 108.9° | 109.5° |
CAV | CAW | H4 | 108.9° | 109.4° |
NAX | CAY | CAZ | 110.8° | 109.5° |
CAY | NAX | H5 | 109.2° | 111.0° |
NAX | CAY | H7 | 109.1° | 109.5° |
NAX | CAY | H8 | 109.1° | 109.5° |
CAY | CAZ | CAU | 108.1° | 109.3° |
CAZ | CAY | H7 | 109.1° | 109.5° |
CAZ | CAY | H8 | 109.1° | 109.5° |
CAY | CAZ | H9 | 109.8° | 109.5° |
CAY | CAZ | H10 | 109.8° | 109.5° |
CAV | CAU | CAZ | 109.7° | 109.1° |
CAV | CAU | NAT | 110.3° | 109.5° |
CAU | CAV | H1 | 110.0° | 109.5° |
CAU | CAV | H2 | 110.0° | 109.5° |
CAV | CAU | H11 | 108.0° | 109.5° |
OAS | CAR | NAT | 126.3° | 120.0° |
OAS | CAR | CAN | 122.0° | 120.0° |
CAZ | CAU | NAT | 112.2° | 109.5° |
CAU | CAZ | H9 | 109.8° | 109.5° |
CAU | CAZ | H10 | 109.8° | 109.5° |
CAZ | CAU | H11 | 107.9° | 109.5° |
CAU | NAT | CAR | 126.4° | 120.0° |
NAT | CAU | H11 | 108.6° | 109.6° |
CAU | NAT | H12 | 116.8° | 120.0° |
NAT | CAR | CAN | 111.6° | 120.0° |
CAR | NAT | H12 | 116.8° | 120.0° |
CAR | CAN | CAM | 120.5° | 120.1° |
CAR | CAN | CAO | 118.5° | 120.1° |
CAN | CAM | CAL | 120.3° | 119.8° |
CAM | CAN | CAO | 121.0° | 119.8° |
CAN | CAM | H13 | 119.8° | 120.1° |
CAM | CAL | NAK | 117.2° | 120.1° |
CAM | CAL | CAQ | 117.8° | 119.9° |
CAL | CAM | H13 | 119.8° | 120.1° |
CAN | CAO | CAP | 119.3° | 120.0° |
CAN | CAO | H14 | 120.3° | 120.0° |
CAL | NAK | CAJ | 125.6° | 120.0° |
NAK | CAL | CAQ | 124.9° | 120.0° |
CAL | NAK | H17 | 117.2° | 120.0° |
NAK | CAJ | NAI | 122.4° | 124.7° |
NAK | CAJ | SBA | 129.7° | 124.8° |
CAJ | NAK | H17 | 117.2° | 120.0° |
CAJ | NAI | CAH | 114.7° | 117.3° |
NAI | CAJ | SBA | 107.9° | 110.5° |
NAI | CAH | CAG | 114.4° | 114.0° |
NAI | CAH | H18 | 122.8° | 123.0° |
CAL | CAQ | CAP | 122.2° | 120.3° |
CAL | CAQ | H16 | 118.9° | 119.9° |
CAJ | SBA | CAG | 94.8° | 90.4° |
CAH | CAG | SBA | 108.2° | 107.8° |
CAH | CAG | CAE | 128.0° | 126.1° |
CAG | CAH | H18 | 122.8° | 123.0° |
CAO | CAP | CAQ | 119.3° | 120.2° |
CAP | CAO | H14 | 120.3° | 120.1° |
CAO | CAP | H15 | 120.4° | 119.8° |
CAQ | CAP | H15 | 120.4° | 119.9° |
CAP | CAQ | H16 | 118.9° | 119.9° |
SBA | CAG | CAE | 123.8° | 126.1° |
CAG | CAE | NAD | 118.3° | 120.0° |
CAG | CAE | OAF | 119.1° | 120.0° |
CL | CBB | CAC | 122.5° | 120.0° |
CL | CBB | CBC | 117.9° | 120.0° |
CAE | NAD | CAC | 119.3° | 120.0° |
NAD | CAE | OAF | 122.7° | 120.0° |
CAE | NAD | H19 | 120.4° | 120.0° |
NAD | CAC | CBB | 120.6° | 120.1° |
NAD | CAC | CAB | 119.3° | 120.1° |
CAC | NAD | H19 | 120.4° | 120.0° |
CAC | CBB | CBC | 119.6° | 120.0° |
CBB | CAC | CAB | 120.0° | 119.8° |
CBB | CBC | CBD | 120.7° | 120.0° |
CBB | CBC | H20 | 119.6° | 120.0° |
CAC | CAB | CAA | 121.8° | 120.0° |
CAC | CAB | CBE | 119.5° | 119.9° |
CBC | CBD | CBE | 119.4° | 120.2° |
CBD | CBC | H20 | 119.7° | 120.0° |
CBC | CBD | H21 | 120.3° | 120.0° |
CAA | CAB | CBE | 118.7° | 120.0° |
CAB | CAA | H23 | 109.5° | 109.5° |
CAB | CAA | H24 | 109.5° | 109.5° |
CAB | CAA | H25 | 109.4° | 109.4° |
CAB | CBE | CBD | 120.7° | 120.1° |
CAB | CBE | H22 | 119.6° | 119.9° |
CBE | CBD | H21 | 120.3° | 119.9° |
CBD | CBE | H22 | 119.6° | 120.0° |
H1 | CAV | H2 | 109.5° | 109.5° |
H3 | CAW | H4 | 109.5° | 109.5° |
H7 | CAY | H8 | 109.4° | 109.4° |
H9 | CAZ | H10 | 109.5° | 109.5° |
H23 | CAA | H24 | 109.5° | 109.5° |
H23 | CAA | H25 | 109.5° | 109.4° |
H24 | CAA | H25 | 109.5° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
NAX | CAW | CAV | H3 | 120.3° | 120.0° |
NAX | CAW | CAV | H4 | 120.3° | 120.0° |
CAW | NAX | CAY | H5 | 120.2° | 124.1° |
CAW | NAX | CAY | CAZ | 67.1° | 61.8° |
NAX | CAW | CAV | CAU | 22.7° | 59.2° |
NAX | CAW | CAV | H1 | 142.3° | 179.1° |
NAX | CAW | CAV | H2 | 97.0° | 60.8° |
NAX | CAW | H3 | H4 | 119.0° | 120.0° |
CAW | NAX | CAY | H7 | 53.1° | 178.2° |
CAW | NAX | CAY | H8 | 172.7° | 58.3° |
CAV | CAW | NAX | CAY | 42.5° | 61.7° |
CAW | CAV | CAU | H1 | 119.6° | 120.0° |
CAW | CAV | CAU | H2 | 119.6° | 120.0° |
CAW | CAV | CAU | CAZ | 69.6° | 57.7° |
CAW | CAV | CAU | NAT | 166.4° | 177.5° |
CAW | CAV | H1 | H2 | 121.1° | 120.1° |
CAV | CAW | H3 | H4 | 119.0° | 119.9° |
CAV | CAW | NAX | H5 | 162.7° | 62.4° |
CAW | CAV | CAU | H11 | 47.8° | 62.3° |
NAX | CAY | CAZ | H7 | 120.2° | 120.0° |
NAX | CAY | CAZ | H8 | 120.2° | 120.0° |
NAX | CAY | CAZ | CAU | 19.7° | 59.2° |
CAY | NAX | CAW | H3 | 162.8° | 178.2° |
CAY | NAX | CAW | H4 | 77.8° | 58.2° |
NAX | CAY | H7 | H8 | 119.4° | 120.0° |
NAX | CAY | CAZ | H9 | 139.5° | 60.8° |
NAX | CAY | CAZ | H10 | 100.1° | 179.1° |
CAY | CAZ | CAU | CAV | 45.9° | 57.7° |
CAY | CAZ | CAU | H9 | 119.8° | 120.0° |
CAY | CAZ | CAU | H10 | 119.8° | 119.9° |
CAY | CAZ | CAU | NAT | 168.9° | 177.6° |
CAZ | CAY | NAX | H5 | 172.7° | 62.4° |
CAZ | CAY | H7 | H8 | 119.4° | 120.0° |
CAY | CAZ | H9 | H10 | 120.6° | 120.1° |
CAY | CAZ | CAU | H11 | 71.5° | 62.2° |
CAV | CAU | CAZ | NAT | 123.0° | 119.9° |
CAV | CAU | CAZ | H11 | 117.5° | 119.9° |
CAV | CAU | NAT | H11 | 118.2° | 120.2° |
CAV | CAU | NAT | CAR | 64.8° | 155.0° |
CAU | CAV | H1 | H2 | 121.0° | 120.0° |
CAU | CAV | CAW | H3 | 97.7° | 179.2° |
CAU | CAV | CAW | H4 | 143.0° | 60.8° |
CAV | CAU | CAZ | H9 | 73.8° | 62.3° |
CAV | CAU | CAZ | H10 | 165.7° | 177.6° |
CAV | CAU | NAT | H12 | 115.2° | 24.9° |
OAS | CAR | NAT | CAU | 0.1° | 0.1° |
OAS | CAR | NAT | CAN | 177.4° | 179.9° |
OAS | CAR | CAN | CAM | 35.1° | 0.3° |
OAS | CAR | CAN | CAO | 147.0° | 180.0° |
OAS | CAR | NAT | H12 | 179.8° | 180.0° |
CAZ | CAU | NAT | H11 | 119.2° | 120.2° |
CAZ | CAU | NAT | CAR | 57.8° | 85.4° |
CAZ | CAU | CAV | H1 | 170.8° | 177.6° |
CAZ | CAU | CAV | H2 | 50.0° | 62.3° |
CAU | CAZ | CAY | H7 | 100.5° | 179.2° |
CAU | CAZ | CAY | H8 | 139.9° | 60.8° |
CAU | CAZ | H9 | H10 | 120.7° | 120.1° |
CAZ | CAU | NAT | H12 | 122.2° | 94.7° |
CAU | NAT | CAR | H12 | 180.0° | 179.9° |
CAU | NAT | CAR | CAN | 177.5° | 180.0° |
NAT | CAU | CAV | H1 | 46.7° | 62.5° |
NAT | CAU | CAV | H2 | 74.0° | 57.5° |
NAT | CAU | CAZ | H9 | 49.1° | 57.6° |
NAT | CAU | CAZ | H10 | 71.3° | 62.5° |
NAT | CAR | CAN | CAM | 142.4° | 179.8° |
NAT | CAR | CAN | CAO | 35.5° | 0.1° |
CAR | NAT | CAU | H11 | 177.0° | 34.8° |
CAR | CAN | CAM | CAO | 177.9° | 179.7° |
CAR | CAN | CAM | CAL | 179.2° | 180.0° |
CAR | CAN | CAO | CAP | 178.7° | 180.0° |
CAN | CAR | NAT | H12 | 2.5° | 0.1° |
CAR | CAN | CAM | H13 | 0.8° | 0.0° |
CAR | CAN | CAO | H14 | 1.3° | 0.1° |
CAN | CAM | CAL | H13 | 180.0° | 180.0° |
CAN | CAM | CAL | NAK | 179.7° | 179.9° |
CAN | CAM | CAL | CAQ | 1.4° | 0.0° |
CAM | CAN | CAO | CAP | 0.8° | 0.3° |
CAM | CAN | CAO | H14 | 179.2° | 179.8° |
CAL | CAM | CAN | CAO | 1.3° | 0.3° |
CAM | CAL | NAK | CAQ | 178.1° | 179.9° |
CAM | CAL | NAK | CAJ | 157.5° | 26.3° |
CAM | CAL | CAQ | CAP | 1.1° | 0.2° |
CAM | CAL | CAQ | H16 | 178.8° | 180.0° |
CAM | CAL | NAK | H17 | 22.5° | 153.6° |
CAN | CAO | CAP | H14 | 180.0° | 180.0° |
CAN | CAO | CAP | CAQ | 0.4° | 0.1° |
CAO | CAN | CAM | H13 | 178.7° | 179.7° |
CAN | CAO | CAP | H15 | 179.6° | 180.0° |
CAL | NAK | CAJ | H17 | 180.0° | 179.9° |
CAL | NAK | CAJ | NAI | 179.8° | 6.5° |
CAL | NAK | CAJ | SBA | 1.4° | 173.3° |
NAK | CAL | CAQ | CAP | 179.3° | 179.7° |
NAK | CAL | CAM | H13 | 0.3° | 0.0° |
NAK | CAL | CAQ | H16 | 0.7° | 0.1° |
NAK | CAJ | NAI | SBA | 179.0° | 179.8° |
NAK | CAJ | NAI | CAH | 179.8° | 180.0° |
CAJ | NAK | CAL | CAQ | 24.3° | 153.6° |
NAK | CAJ | SBA | CAG | 179.3° | 180.0° |
CAJ | NAI | CAH | CAG | 0.9° | 0.0° |
NAI | CAJ | SBA | CAG | 0.4° | 0.2° |
NAI | CAJ | NAK | H17 | 0.2° | 173.6° |
CAJ | NAI | CAH | H18 | 179.1° | 180.0° |
CAH | NAI | CAJ | SBA | 0.8° | 0.2° |
NAI | CAH | CAG | H18 | 180.0° | 180.0° |
NAI | CAH | CAG | SBA | 0.6° | 0.1° |
NAI | CAH | CAG | CAE | 179.8° | 180.0° |
CAL | CAQ | CAP | CAO | 0.6° | 0.1° |
CAL | CAQ | CAP | H16 | 180.0° | 179.8° |
CAQ | CAL | CAM | H13 | 178.5° | 179.9° |
CAL | CAQ | CAP | H15 | 179.3° | 179.8° |
CAQ | CAL | NAK | H17 | 155.6° | 26.5° |
CAJ | SBA | CAG | CAH | 0.1° | 0.2° |
CAJ | SBA | CAG | CAE | 179.7° | 179.9° |
SBA | CAJ | NAK | H17 | 178.6° | 6.6° |
CAH | CAG | SBA | CAE | 179.7° | 179.9° |
CAH | CAG | CAE | NAD | 7.6° | 180.0° |
CAH | CAG | CAE | OAF | 173.0° | 0.0° |
CAO | CAP | CAQ | H15 | 180.0° | 179.9° |
CAO | CAP | CAQ | H16 | 179.3° | 179.9° |
CAQ | CAP | CAO | H14 | 179.6° | 180.0° |
SBA | CAG | CAE | NAD | 172.8° | 0.1° |
SBA | CAG | CAE | OAF | 6.6° | 179.9° |
SBA | CAG | CAH | H18 | 179.4° | 179.8° |
CAG | CAE | NAD | OAF | 179.4° | 180.0° |
CAG | CAE | NAD | CAC | 178.8° | 174.5° |
CAE | CAG | CAH | H18 | 0.2° | 0.1° |
CAG | CAE | NAD | H19 | 1.2° | 5.5° |
CL | CBB | CAC | NAD | 0.8° | 0.0° |
CL | CBB | CAC | CBC | 179.6° | 179.9° |
CL | CBB | CAC | CAB | 179.7° | 179.7° |
CL | CBB | CBC | CBD | 179.8° | 180.0° |
CL | CBB | CBC | H20 | 0.2° | 0.1° |
CAE | NAD | CAC | H19 | 180.0° | 180.0° |
CAE | NAD | CAC | CBB | 99.1° | 52.0° |
CAE | NAD | CAC | CAB | 82.0° | 127.7° |
CAC | NAD | CAE | OAF | 1.8° | 5.6° |
NAD | CAC | CBB | CAB | 178.9° | 179.7° |
NAD | CAC | CBB | CBC | 179.6° | 180.0° |
NAD | CAC | CAB | CAA | 0.6° | 0.0° |
NAD | CAC | CAB | CBE | 179.5° | 179.7° |
OAF | CAE | NAD | H19 | 178.2° | 174.4° |
CAC | CBB | CBC | CBD | 0.2° | 0.0° |
CBB | CAC | CAB | CAA | 179.5° | 179.8° |
CBB | CAC | CAB | CBE | 0.6° | 0.5° |
CBB | CAC | NAD | H19 | 80.9° | 128.0° |
CAC | CBB | CBC | H20 | 179.7° | 180.0° |
CBC | CBB | CAC | CAB | 0.7° | 0.2° |
CBB | CBC | CBD | H20 | 180.0° | 179.9° |
CBB | CBC | CBD | CBE | 0.3° | 0.0° |
CBB | CBC | CBD | H21 | 179.7° | 180.0° |
CAC | CAB | CAA | CBE | 179.8° | 179.7° |
CAC | CAB | CBE | CBD | 0.1° | 0.6° |
CAB | CAC | NAD | H19 | 98.0° | 52.3° |
CAC | CAB | CBE | H22 | 179.9° | 179.7° |
CAC | CAB | CAA | H23 | 90.1° | 89.9° |
CAC | CAB | CAA | H24 | 149.9° | 150.0° |
CAC | CAB | CAA | H25 | 29.9° | 30.0° |
CBC | CBD | CBE | CAB | 0.4° | 0.3° |
CBC | CBD | CBE | H21 | 180.0° | 180.0° |
CBC | CBD | CBE | H22 | 179.6° | 180.0° |
CAA | CAB | CBE | CBD | 179.9° | 179.7° |
CAA | CAB | CBE | H22 | 0.1° | 0.0° |
CAB | CAA | H23 | H24 | 120.0° | 120.0° |
CAB | CAA | H23 | H25 | 120.0° | 120.0° |
CAB | CAA | H24 | H25 | 120.0° | 120.0° |
CAB | CBE | CBD | H22 | 180.0° | 179.7° |
CAB | CBE | CBD | H21 | 179.6° | 179.7° |
CBE | CAB | CAA | H23 | 90.1° | 89.8° |
CBE | CAB | CAA | H24 | 29.9° | 30.3° |
CBE | CAB | CAA | H25 | 149.9° | 150.3° |
CBE | CBD | CBC | H20 | 179.7° | 179.9° |
H1 | CAV | CAW | H3 | 22.0° | 60.9° |
H1 | CAV | CAW | H4 | 97.4° | 59.1° |
H1 | CAV | CAU | H11 | 71.9° | 57.7° |
H2 | CAV | CAW | H3 | 142.7° | 59.3° |
H2 | CAV | CAW | H4 | 23.3° | 179.2° |
H2 | CAV | CAU | H11 | 167.4° | 177.8° |
H3 | CAW | NAX | H5 | 77.0° | 57.7° |
H4 | CAW | NAX | H5 | 42.4° | 177.7° |
H5 | NAX | CAY | H7 | 67.1° | 57.6° |
H5 | NAX | CAY | H8 | 52.5° | 177.6° |
H7 | CAY | CAZ | H9 | 19.3° | 59.2° |
H7 | CAY | CAZ | H10 | 139.7° | 60.9° |
H8 | CAY | CAZ | H9 | 100.3° | 179.2° |
H8 | CAY | CAZ | H10 | 20.2° | 59.1° |
H9 | CAZ | CAU | H11 | 168.7° | 177.8° |
H10 | CAZ | CAU | H11 | 48.2° | 57.7° |
H11 | CAU | NAT | H12 | 3.0° | 145.1° |
H14 | CAO | CAP | H15 | 0.5° | 0.0° |
H15 | CAP | CAQ | H16 | 0.7° | 0.0° |
H20 | CBC | CBD | H21 | 0.3° | 0.0° |
H21 | CBD | CBE | H22 | 0.4° | 0.0° |
H23 | CAA | H24 | H25 | 120.0° | 120.0° |