8PX
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
CAK | CAJ | sing | 1.51Å | 1.48Å | |
CAJ | NAL | doub | 1.30Å | 1.32Å | Aromatic |
CAJ | CAA | sing | 1.46Å | 1.33Å | Aromatic |
NAL | OAG | sing | 1.41Å | 1.47Å | Aromatic |
CAA | CAB | doub | 1.40Å | 1.35Å | Aromatic |
CAA | CAF | sing | 1.40Å | 1.37Å | Aromatic |
OAG | CAF | sing | 1.35Å | 1.34Å | Aromatic |
CAB | CAC | sing | 1.38Å | 1.40Å | Aromatic |
CAF | CAE | doub | 1.39Å | 1.33Å | Aromatic |
OAN | SAM | doub | 1.42Å | 1.49Å | |
CAC | NAH | sing | 1.40Å | 1.38Å | |
CAC | CAD | doub | 1.40Å | 1.39Å | Aromatic |
CAE | CAD | sing | 1.38Å | 1.40Å | Aromatic |
NAH | SAM | sing | 1.66Å | 1.67Å | |
CAD | OAI | sing | 1.36Å | 1.39Å | |
SAM | OAO | doub | 1.42Å | 1.54Å | |
SAM | CAP | sing | 1.76Å | 1.80Å | |
OAI | CAY | sing | 1.43Å | 1.45Å | |
CAP | CAU | sing | 1.38Å | 1.39Å | Aromatic |
CAP | CAQ | doub | 1.39Å | 1.41Å | Aromatic |
CAU | CAT | doub | 1.38Å | 1.38Å | Aromatic |
OAV | CAQ | sing | 1.36Å | 1.41Å | |
OAV | CAW | sing | 1.43Å | 1.38Å | |
CAQ | CAR | sing | 1.39Å | 1.40Å | Aromatic |
CAT | BRAX | sing | 1.89Å | 1.87Å | |
CAT | CAS | sing | 1.38Å | 1.38Å | Aromatic |
CAR | CAS | doub | 1.38Å | 1.40Å | Aromatic |
CAY | H1 | sing | 1.09Å | 1.10Å | |
CAY | H2 | sing | 1.09Å | 1.10Å | |
CAY | H3 | sing | 1.09Å | 1.10Å | |
CAE | H4 | sing | 1.08Å | 1.08Å | |
CAK | H5 | sing | 1.09Å | 1.10Å | |
CAK | H6 | sing | 1.09Å | 1.10Å | |
CAK | H7 | sing | 1.09Å | 1.10Å | |
CAB | H8 | sing | 1.08Å | 1.08Å | |
NAH | H9 | sing | 0.97Å | 1.00Å | |
CAU | H10 | sing | 1.08Å | 1.08Å | |
CAS | H11 | sing | 1.08Å | 1.08Å | |
CAR | H12 | sing | 1.08Å | 1.08Å | |
CAW | H13 | sing | 1.09Å | 1.10Å | |
CAW | H14 | sing | 1.09Å | 1.10Å | |
CAW | H15 | sing | 1.09Å | 1.10Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
CAK | CAJ | NAL | 119.7° | 126.3° |
CAK | CAJ | CAA | 128.6° | 126.3° |
CAJ | CAK | H5 | 109.5° | 109.5° |
CAJ | CAK | H6 | 109.4° | 109.4° |
CAJ | CAK | H7 | 109.5° | 109.5° |
NAL | CAJ | CAA | 111.7° | 107.4° |
CAJ | NAL | OAG | 105.9° | 109.7° |
CAJ | CAA | CAB | 133.3° | 133.5° |
CAJ | CAA | CAF | 107.3° | 106.5° |
NAL | OAG | CAF | 104.7° | 109.3° |
CAB | CAA | CAF | 119.3° | 120.0° |
CAA | CAB | CAC | 121.7° | 119.7° |
CAA | CAB | H8 | 119.1° | 120.1° |
CAA | CAF | OAG | 110.3° | 107.1° |
CAA | CAF | CAE | 120.8° | 119.7° |
OAG | CAF | CAE | 128.9° | 133.3° |
CAB | CAC | NAH | 125.3° | 119.9° |
CAB | CAC | CAD | 118.2° | 120.2° |
CAC | CAB | H8 | 119.1° | 120.2° |
CAF | CAE | CAD | 122.0° | 120.0° |
CAF | CAE | H4 | 119.0° | 119.9° |
OAN | SAM | NAH | 111.5° | 106.4° |
OAN | SAM | OAO | 117.1° | 123.2° |
OAN | SAM | CAP | 111.2° | 106.4° |
NAH | CAC | CAD | 116.4° | 120.0° |
CAC | NAH | SAM | 123.5° | 120.0° |
CAC | NAH | H9 | 105.8° | 119.9° |
CAC | CAD | CAE | 118.0° | 120.5° |
CAC | CAD | OAI | 116.8° | 119.7° |
CAE | CAD | OAI | 125.2° | 119.8° |
CAD | CAE | H4 | 119.0° | 120.1° |
NAH | SAM | OAO | 108.8° | 106.4° |
NAH | SAM | CAP | 102.1° | 107.2° |
SAM | NAH | H9 | 105.9° | 120.0° |
CAD | OAI | CAY | 119.2° | 117.0° |
OAO | SAM | CAP | 105.0° | 106.4° |
SAM | CAP | CAU | 116.9° | 120.0° |
SAM | CAP | CAQ | 123.4° | 120.0° |
OAI | CAY | H1 | 109.5° | 109.5° |
OAI | CAY | H2 | 109.5° | 109.4° |
OAI | CAY | H3 | 109.4° | 109.5° |
CAU | CAP | CAQ | 119.8° | 120.0° |
CAP | CAU | CAT | 121.5° | 120.0° |
CAP | CAU | H10 | 119.2° | 120.0° |
CAP | CAQ | OAV | 117.8° | 120.1° |
CAP | CAQ | CAR | 118.2° | 119.9° |
CAU | CAT | BRAX | 115.4° | 119.9° |
CAU | CAT | CAS | 119.3° | 120.1° |
CAT | CAU | H10 | 119.3° | 120.0° |
CAQ | OAV | CAW | 120.9° | 117.0° |
OAV | CAQ | CAR | 124.1° | 120.0° |
OAV | CAW | H13 | 109.5° | 109.4° |
OAV | CAW | H14 | 109.5° | 109.5° |
OAV | CAW | H15 | 109.5° | 109.4° |
CAQ | CAR | CAS | 120.6° | 119.9° |
CAQ | CAR | H12 | 119.7° | 120.0° |
BRAX | CAT | CAS | 125.3° | 120.0° |
CAT | CAS | CAR | 120.7° | 120.1° |
CAT | CAS | H11 | 119.6° | 120.0° |
CAR | CAS | H11 | 119.7° | 120.0° |
CAS | CAR | H12 | 119.7° | 120.1° |
H1 | CAY | H2 | 109.4° | 109.5° |
H1 | CAY | H3 | 109.5° | 109.5° |
H2 | CAY | H3 | 109.5° | 109.5° |
H5 | CAK | H6 | 109.5° | 109.5° |
H5 | CAK | H7 | 109.5° | 109.5° |
H6 | CAK | H7 | 109.5° | 109.4° |
H13 | CAW | H14 | 109.5° | 109.5° |
H13 | CAW | H15 | 109.4° | 109.5° |
H14 | CAW | H15 | 109.5° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
CAK | CAJ | NAL | CAA | 179.7° | 180.0° |
CAK | CAJ | NAL | OAG | 178.7° | 180.0° |
CAK | CAJ | CAA | CAB | 2.3° | 0.0° |
CAK | CAJ | CAA | CAF | 179.4° | 180.0° |
CAJ | CAK | H5 | H6 | 120.0° | 120.0° |
CAJ | CAK | H5 | H7 | 120.0° | 120.0° |
CAJ | CAK | H6 | H7 | 120.0° | 120.0° |
NAL | CAJ | CAA | CAB | 178.0° | 180.0° |
NAL | CAJ | CAA | CAF | 0.3° | 0.0° |
CAJ | NAL | OAG | CAF | 1.3° | 0.0° |
NAL | CAJ | CAK | H5 | 0.0° | 90.0° |
NAL | CAJ | CAK | H6 | 120.0° | 150.0° |
NAL | CAJ | CAK | H7 | 120.0° | 30.0° |
CAA | CAJ | NAL | OAG | 1.0° | 0.0° |
CAJ | CAA | CAB | CAF | 178.1° | 180.0° |
CAJ | CAA | CAF | OAG | 0.7° | 0.0° |
CAJ | CAA | CAB | CAC | 179.3° | 179.7° |
CAJ | CAA | CAF | CAE | 179.0° | 180.0° |
CAA | CAJ | CAK | H5 | 179.7° | 90.0° |
CAA | CAJ | CAK | H6 | 60.3° | 30.0° |
CAA | CAJ | CAK | H7 | 59.7° | 150.0° |
CAJ | CAA | CAB | H8 | 0.7° | 0.0° |
NAL | OAG | CAF | CAA | 1.2° | 0.0° |
NAL | OAG | CAF | CAE | 178.5° | 179.9° |
CAB | CAA | CAF | OAG | 179.2° | 180.0° |
CAA | CAB | CAC | H8 | 180.0° | 179.8° |
CAB | CAA | CAF | CAE | 0.4° | 0.0° |
CAA | CAB | CAC | NAH | 174.9° | 180.0° |
CAA | CAB | CAC | CAD | 0.9° | 0.5° |
CAA | CAF | OAG | CAE | 179.7° | 179.9° |
CAF | CAA | CAB | CAC | 1.2° | 0.2° |
CAA | CAF | CAE | CAD | 0.5° | 0.0° |
CAA | CAF | CAE | H4 | 179.4° | 180.0° |
CAF | CAA | CAB | H8 | 178.9° | 180.0° |
OAG | CAF | CAE | CAD | 179.8° | 179.9° |
OAG | CAF | CAE | H4 | 0.2° | 0.1° |
CAB | CAC | NAH | CAD | 175.8° | 179.5° |
CAB | CAC | CAD | CAE | 0.1° | 0.5° |
CAB | CAC | NAH | SAM | 59.2° | 35.5° |
CAB | CAC | CAD | OAI | 179.8° | 179.7° |
CAB | CAC | NAH | H9 | 178.9° | 144.6° |
CAF | CAE | CAD | CAC | 0.8° | 0.3° |
CAF | CAE | CAD | H4 | 180.0° | 179.9° |
CAF | CAE | CAD | OAI | 179.1° | 180.0° |
OAN | SAM | NAH | CAC | 50.7° | 53.3° |
OAN | SAM | NAH | OAO | 130.6° | 132.9° |
OAN | SAM | NAH | CAP | 118.8° | 113.5° |
OAN | SAM | OAO | CAP | 123.8° | 123.0° |
OAN | SAM | CAP | CAU | 2.2° | 2.0° |
OAN | SAM | CAP | CAQ | 179.7° | 178.3° |
OAN | SAM | NAH | H9 | 172.6° | 126.8° |
NAH | CAC | CAD | CAE | 176.2° | 180.0° |
CAC | NAH | SAM | H9 | 121.9° | 179.9° |
NAH | CAC | CAD | OAI | 3.7° | 0.3° |
CAC | NAH | SAM | OAO | 178.7° | 173.8° |
CAC | NAH | SAM | CAP | 68.1° | 60.2° |
NAH | CAC | CAB | H8 | 5.1° | 0.2° |
CAC | CAD | CAE | OAI | 179.9° | 179.7° |
CAD | CAC | NAH | SAM | 125.0° | 144.0° |
CAC | CAD | OAI | CAY | 179.6° | 179.7° |
CAC | CAD | CAE | H4 | 179.2° | 179.7° |
CAD | CAC | CAB | H8 | 179.2° | 179.7° |
CAD | CAC | NAH | H9 | 3.1° | 35.9° |
CAE | CAD | OAI | CAY | 0.3° | 0.1° |
NAH | SAM | OAO | CAP | 108.7° | 114.1° |
NAH | SAM | CAP | CAU | 116.9° | 115.5° |
NAH | SAM | CAP | CAQ | 61.3° | 64.8° |
CAD | OAI | CAY | H1 | 180.0° | 59.9° |
CAD | OAI | CAY | H2 | 60.0° | 60.0° |
CAD | OAI | CAY | H3 | 60.0° | 180.0° |
OAI | CAD | CAE | H4 | 0.9° | 0.1° |
OAO | SAM | CAP | CAU | 129.7° | 130.9° |
OAO | SAM | CAP | CAQ | 52.2° | 48.8° |
OAO | SAM | NAH | H9 | 56.8° | 6.2° |
SAM | CAP | CAU | CAQ | 178.2° | 179.7° |
SAM | CAP | CAU | CAT | 179.6° | 180.0° |
SAM | CAP | CAQ | OAV | 1.8° | 0.0° |
SAM | CAP | CAQ | CAR | 179.1° | 179.7° |
CAP | SAM | NAH | H9 | 53.8° | 119.7° |
SAM | CAP | CAU | H10 | 0.4° | 0.1° |
OAI | CAY | H1 | H2 | 120.0° | 119.9° |
OAI | CAY | H1 | H3 | 120.0° | 120.0° |
OAI | CAY | H2 | H3 | 120.0° | 120.0° |
CAP | CAU | CAT | H10 | 180.0° | 179.9° |
CAU | CAP | CAQ | OAV | 179.9° | 179.7° |
CAU | CAP | CAQ | CAR | 1.0° | 0.6° |
CAP | CAU | CAT | BRAX | 179.6° | 180.0° |
CAP | CAU | CAT | CAS | 2.5° | 0.0° |
CAQ | CAP | CAU | CAT | 2.2° | 0.3° |
CAP | CAQ | OAV | CAR | 179.0° | 179.6° |
CAP | CAQ | OAV | CAW | 171.6° | 180.0° |
CAP | CAQ | CAR | CAS | 0.3° | 0.7° |
CAQ | CAP | CAU | H10 | 177.8° | 179.8° |
CAP | CAQ | CAR | H12 | 179.7° | 179.7° |
CAU | CAT | BRAX | CAS | 177.7° | 180.0° |
CAU | CAT | CAS | CAR | 1.8° | 0.0° |
CAU | CAT | CAS | H11 | 178.2° | 180.0° |
OAV | CAQ | CAR | CAS | 179.3° | 179.7° |
OAV | CAQ | CAR | H12 | 0.7° | 0.1° |
CAQ | OAV | CAW | H13 | 180.0° | 59.9° |
CAQ | OAV | CAW | H14 | 60.0° | 180.0° |
CAQ | OAV | CAW | H15 | 60.0° | 60.0° |
CAW | OAV | CAQ | CAR | 7.4° | 0.4° |
OAV | CAW | H13 | H14 | 120.0° | 120.0° |
OAV | CAW | H13 | H15 | 120.0° | 119.9° |
OAV | CAW | H14 | H15 | 120.0° | 120.0° |
CAQ | CAR | CAS | CAT | 0.7° | 0.4° |
CAQ | CAR | CAS | H12 | 180.0° | 179.6° |
CAQ | CAR | CAS | H11 | 179.3° | 179.7° |
BRAX | CAT | CAS | CAR | 179.4° | 180.0° |
BRAX | CAT | CAU | H10 | 0.4° | 0.1° |
BRAX | CAT | CAS | H11 | 0.6° | 0.0° |
CAT | CAS | CAR | H11 | 180.0° | 180.0° |
CAS | CAT | CAU | H10 | 177.4° | 179.9° |
CAT | CAS | CAR | H12 | 179.3° | 180.0° |
H1 | CAY | H2 | H3 | 120.0° | 120.0° |
H5 | CAK | H6 | H7 | 120.0° | 120.0° |
H11 | CAS | CAR | H12 | 0.7° | 0.0° |
H13 | CAW | H14 | H15 | 120.0° | 120.0° |