9Y8
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
CAV | CAW | doub | 1.38Å | 1.40Å | Aromatic |
CAV | CAU | sing | 1.38Å | 1.39Å | Aromatic |
CAW | CAR | sing | 1.38Å | 1.41Å | Aromatic |
CAU | CAT | doub | 1.38Å | 1.40Å | Aromatic |
CAR | CAS | doub | 1.39Å | 1.39Å | Aromatic |
CAT | CAS | sing | 1.40Å | 1.38Å | Aromatic |
CAT | SAQ | sing | 1.77Å | 1.73Å | |
OAM | SAQ | doub | 1.42Å | 1.48Å | |
CAS | CAN | sing | 1.48Å | 1.37Å | |
SAQ | OAL | doub | 1.42Å | 1.50Å | |
SAQ | NAP | sing | 1.67Å | 1.76Å | |
CAN | NAH | sing | 1.36Å | 1.28Å | Aromatic |
CAN | CAO | doub | 1.38Å | 1.39Å | Aromatic |
NAH | NAI | sing | 1.40Å | 1.42Å | Aromatic |
NAP | CAO | sing | 1.41Å | 1.36Å | |
NAP | CAK | sing | 1.46Å | 1.46Å | |
CAO | CAJ | sing | 1.40Å | 1.36Å | Aromatic |
NAI | CAJ | doub | 1.32Å | 1.33Å | Aromatic |
CAJ | CAG | sing | 1.48Å | 1.37Å | |
CAG | CAF | doub | 1.39Å | 1.37Å | Aromatic |
CAG | CAB | sing | 1.39Å | 1.39Å | Aromatic |
CAF | CAE | sing | 1.38Å | 1.37Å | Aromatic |
CAB | CAC | doub | 1.38Å | 1.38Å | Aromatic |
CAE | CAD | doub | 1.39Å | 1.39Å | Aromatic |
CAC | CAD | sing | 1.39Å | 1.38Å | Aromatic |
CAD | FAA | sing | 1.35Å | 1.23Å | |
CAK | H1 | sing | 1.09Å | 1.10Å | |
CAK | H2 | sing | 1.09Å | 1.10Å | |
CAK | H3 | sing | 1.09Å | 1.10Å | |
CAU | H4 | sing | 1.08Å | 1.08Å | |
CAV | H5 | sing | 1.08Å | 1.08Å | |
CAW | H6 | sing | 1.08Å | 1.08Å | |
CAR | H7 | sing | 1.08Å | 1.08Å | |
NAH | H8 | sing | 0.97Å | 1.00Å | |
CAB | H9 | sing | 1.08Å | 1.08Å | |
CAC | H10 | sing | 1.08Å | 1.08Å | |
CAE | H11 | sing | 1.08Å | 1.08Å | |
CAF | H12 | sing | 1.08Å | 1.08Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
CAW | CAV | CAU | 118.7° | 120.3° |
CAV | CAW | CAR | 120.3° | 120.3° |
CAW | CAV | H5 | 120.7° | 119.8° |
CAV | CAW | H6 | 119.9° | 119.8° |
CAV | CAU | CAT | 119.7° | 120.0° |
CAV | CAU | H4 | 120.2° | 120.0° |
CAU | CAV | H5 | 120.6° | 119.9° |
CAW | CAR | CAS | 120.8° | 119.7° |
CAR | CAW | H6 | 119.8° | 119.9° |
CAW | CAR | H7 | 119.6° | 120.2° |
CAU | CAT | CAS | 122.4° | 120.0° |
CAU | CAT | SAQ | 122.8° | 120.6° |
CAT | CAU | H4 | 120.1° | 120.0° |
CAR | CAS | CAT | 118.0° | 119.7° |
CAR | CAS | CAN | 121.9° | 121.0° |
CAS | CAR | H7 | 119.6° | 120.1° |
CAS | CAT | SAQ | 114.8° | 119.4° |
CAT | CAS | CAN | 120.0° | 119.3° |
CAT | SAQ | OAM | 105.3° | 106.7° |
CAT | SAQ | OAL | 112.8° | 106.6° |
CAT | SAQ | NAP | 106.3° | 105.9° |
OAM | SAQ | OAL | 120.6° | 123.3° |
OAM | SAQ | NAP | 106.8° | 106.6° |
CAS | CAN | NAH | 126.5° | 128.4° |
CAS | CAN | CAO | 128.1° | 124.4° |
OAL | SAQ | NAP | 104.2° | 106.6° |
SAQ | NAP | CAO | 110.7° | 116.5° |
SAQ | NAP | CAK | 116.5° | 121.8° |
NAH | CAN | CAO | 104.7° | 107.1° |
CAN | NAH | NAI | 112.8° | 108.0° |
CAN | NAH | H8 | 123.6° | 126.0° |
CAN | CAO | NAP | 121.4° | 123.4° |
CAN | CAO | CAJ | 109.6° | 107.8° |
NAH | NAI | CAJ | 104.5° | 108.9° |
NAI | NAH | H8 | 123.6° | 126.0° |
CAO | NAP | CAK | 116.2° | 121.7° |
NAP | CAO | CAJ | 128.6° | 128.8° |
NAP | CAK | H1 | 109.5° | 109.5° |
NAP | CAK | H2 | 109.5° | 109.5° |
NAP | CAK | H3 | 109.5° | 109.5° |
CAO | CAJ | NAI | 108.2° | 108.2° |
CAO | CAJ | CAG | 129.5° | 125.9° |
NAI | CAJ | CAG | 122.2° | 125.9° |
CAJ | CAG | CAF | 123.3° | 120.1° |
CAJ | CAG | CAB | 119.1° | 120.1° |
CAF | CAG | CAB | 117.5° | 119.8° |
CAG | CAF | CAE | 122.7° | 119.9° |
CAG | CAF | H12 | 118.7° | 120.0° |
CAG | CAB | CAC | 121.8° | 119.9° |
CAG | CAB | H9 | 119.1° | 120.0° |
CAF | CAE | CAD | 118.6° | 120.1° |
CAF | CAE | H11 | 120.7° | 119.9° |
CAE | CAF | H12 | 118.6° | 120.1° |
CAB | CAC | CAD | 119.1° | 120.1° |
CAC | CAB | H9 | 119.1° | 120.1° |
CAB | CAC | H10 | 120.5° | 119.9° |
CAE | CAD | CAC | 120.3° | 120.2° |
CAE | CAD | FAA | 119.4° | 119.9° |
CAD | CAE | H11 | 120.7° | 119.9° |
CAC | CAD | FAA | 120.3° | 119.9° |
CAD | CAC | H10 | 120.4° | 120.0° |
H1 | CAK | H2 | 109.5° | 109.4° |
H1 | CAK | H3 | 109.5° | 109.5° |
H2 | CAK | H3 | 109.4° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
CAW | CAV | CAU | H5 | 180.0° | 179.9° |
CAV | CAW | CAR | H6 | 180.0° | 180.0° |
CAW | CAV | CAU | CAT | 1.2° | 0.0° |
CAV | CAW | CAR | CAS | 0.8° | 0.1° |
CAW | CAV | CAU | H4 | 178.8° | 180.0° |
CAV | CAW | CAR | H7 | 179.2° | 180.0° |
CAU | CAV | CAW | CAR | 1.3° | 0.2° |
CAV | CAU | CAT | H4 | 180.0° | 180.0° |
CAV | CAU | CAT | CAS | 0.6° | 0.5° |
CAV | CAU | CAT | SAQ | 178.5° | 179.5° |
CAU | CAV | CAW | H6 | 178.8° | 179.8° |
CAW | CAR | CAS | H7 | 180.0° | 179.9° |
CAW | CAR | CAS | CAT | 0.2° | 0.6° |
CAW | CAR | CAS | CAN | 178.0° | 178.4° |
CAR | CAW | CAV | H5 | 178.8° | 179.7° |
CAU | CAT | CAS | CAR | 0.1° | 0.9° |
CAU | CAT | CAS | SAQ | 179.2° | 180.0° |
CAU | CAT | SAQ | OAM | 99.8° | 41.7° |
CAU | CAT | CAS | CAN | 178.1° | 178.2° |
CAU | CAT | SAQ | OAL | 33.5° | 91.7° |
CAU | CAT | SAQ | NAP | 147.1° | 155.0° |
CAT | CAU | CAV | H5 | 178.9° | 179.9° |
CAR | CAS | CAT | CAN | 178.2° | 179.0° |
CAR | CAS | CAT | SAQ | 179.1° | 179.2° |
CAR | CAS | CAN | NAH | 16.7° | 14.9° |
CAR | CAS | CAN | CAO | 152.6° | 164.4° |
CAS | CAR | CAW | H6 | 179.2° | 179.9° |
CAS | CAT | SAQ | OAM | 79.4° | 138.2° |
CAS | CAT | SAQ | OAL | 147.3° | 88.3° |
CAS | CAT | SAQ | NAP | 33.7° | 25.0° |
CAT | CAS | CAN | NAH | 165.1° | 166.0° |
CAT | CAS | CAN | CAO | 25.6° | 14.6° |
CAS | CAT | CAU | H4 | 179.4° | 179.4° |
CAT | CAS | CAR | H7 | 179.8° | 179.5° |
CAT | SAQ | OAM | OAL | 128.9° | 123.7° |
CAT | SAQ | OAM | NAP | 112.7° | 112.8° |
SAQ | CAT | CAS | CAN | 2.7° | 1.8° |
CAT | SAQ | OAL | NAP | 114.9° | 112.8° |
CAT | SAQ | NAP | CAO | 44.9° | 36.8° |
CAT | SAQ | NAP | CAK | 90.8° | 142.9° |
SAQ | CAT | CAU | H4 | 1.5° | 0.5° |
OAM | SAQ | OAL | NAP | 119.7° | 123.6° |
OAM | SAQ | NAP | CAO | 67.2° | 150.1° |
OAM | SAQ | NAP | CAK | 157.1° | 29.6° |
CAS | CAN | NAH | CAO | 171.3° | 179.5° |
CAS | CAN | NAH | NAI | 173.7° | 179.7° |
CAS | CAN | CAO | NAP | 11.2° | 1.0° |
CAS | CAN | CAO | CAJ | 175.1° | 179.0° |
CAN | CAS | CAR | H7 | 2.0° | 1.5° |
CAS | CAN | NAH | H8 | 6.3° | 0.4° |
OAL | SAQ | NAP | CAO | 164.2° | 76.5° |
OAL | SAQ | NAP | CAK | 28.5° | 103.8° |
SAQ | NAP | CAO | CAN | 26.3° | 27.4° |
SAQ | NAP | CAO | CAK | 135.9° | 179.7° |
SAQ | NAP | CAO | CAJ | 146.1° | 152.5° |
SAQ | NAP | CAK | H1 | 0.0° | 84.8° |
SAQ | NAP | CAK | H2 | 120.0° | 35.1° |
SAQ | NAP | CAK | H3 | 120.0° | 155.2° |
CAN | NAH | NAI | H8 | 180.0° | 179.9° |
NAH | CAN | CAO | NAP | 177.7° | 179.5° |
NAH | CAN | CAO | CAJ | 4.0° | 0.5° |
CAN | NAH | NAI | CAJ | 0.1° | 0.8° |
CAO | CAN | NAH | NAI | 2.4° | 0.2° |
CAN | CAO | NAP | CAJ | 172.4° | 179.9° |
CAN | CAO | NAP | CAK | 109.6° | 152.3° |
CAN | CAO | CAJ | NAI | 4.2° | 1.0° |
CAN | CAO | CAJ | CAG | 178.3° | 179.8° |
CAO | CAN | NAH | H8 | 177.6° | 179.9° |
NAH | NAI | CAJ | CAO | 2.6° | 1.1° |
NAH | NAI | CAJ | CAG | 179.6° | 179.7° |
NAP | CAO | CAJ | NAI | 177.3° | 178.9° |
NAP | CAO | CAJ | CAG | 5.2° | 0.3° |
CAO | NAP | CAK | H1 | 133.3° | 95.5° |
CAO | NAP | CAK | H2 | 106.7° | 144.6° |
CAO | NAP | CAK | H3 | 13.3° | 24.5° |
CAK | NAP | CAO | CAJ | 78.1° | 27.8° |
NAP | CAK | H1 | H2 | 120.0° | 120.0° |
NAP | CAK | H1 | H3 | 120.0° | 120.0° |
NAP | CAK | H2 | H3 | 120.0° | 120.1° |
CAO | CAJ | NAI | CAG | 177.7° | 179.2° |
CAO | CAJ | CAG | CAF | 40.2° | 43.3° |
CAO | CAJ | CAG | CAB | 142.7° | 137.0° |
NAI | CAJ | CAG | CAF | 142.6° | 135.7° |
NAI | CAJ | CAG | CAB | 34.5° | 44.0° |
CAJ | NAI | NAH | H8 | 179.9° | 179.2° |
CAJ | CAG | CAF | CAB | 177.1° | 179.7° |
CAJ | CAG | CAF | CAE | 178.9° | 179.8° |
CAJ | CAG | CAB | CAC | 179.7° | 180.0° |
CAJ | CAG | CAB | H9 | 0.3° | 0.1° |
CAJ | CAG | CAF | H12 | 1.1° | 0.0° |
CAG | CAF | CAE | H12 | 180.0° | 179.8° |
CAF | CAG | CAB | CAC | 3.0° | 0.3° |
CAG | CAF | CAE | CAD | 0.3° | 0.5° |
CAF | CAG | CAB | H9 | 177.0° | 179.8° |
CAG | CAF | CAE | H11 | 179.7° | 179.8° |
CAB | CAG | CAF | CAE | 1.8° | 0.5° |
CAG | CAB | CAC | H9 | 180.0° | 179.9° |
CAG | CAB | CAC | CAD | 2.8° | 0.0° |
CAG | CAB | CAC | H10 | 177.2° | 180.0° |
CAB | CAG | CAF | H12 | 178.3° | 179.7° |
CAF | CAE | CAD | H11 | 180.0° | 179.8° |
CAF | CAE | CAD | CAC | 0.0° | 0.2° |
CAF | CAE | CAD | FAA | 176.9° | 179.7° |
CAB | CAC | CAD | CAE | 1.2° | 0.0° |
CAB | CAC | CAD | H10 | 180.0° | 180.0° |
CAB | CAC | CAD | FAA | 178.0° | 180.0° |
CAE | CAD | CAC | FAA | 176.8° | 179.9° |
CAE | CAD | CAC | H10 | 178.8° | 180.0° |
CAD | CAE | CAF | H12 | 179.7° | 179.7° |
CAD | CAC | CAB | H9 | 177.2° | 179.9° |
CAC | CAD | CAE | H11 | 180.0° | 180.0° |
FAA | CAD | CAC | H10 | 2.0° | 0.0° |
FAA | CAD | CAE | H11 | 3.2° | 0.0° |
H1 | CAK | H2 | H3 | 120.0° | 120.0° |
H4 | CAU | CAV | H5 | 1.2° | 0.1° |
H5 | CAV | CAW | H6 | 1.2° | 0.3° |
H6 | CAW | CAR | H7 | 0.7° | 0.1° |
H9 | CAB | CAC | H10 | 2.8° | 0.1° |
H11 | CAE | CAF | H12 | 0.3° | 0.0° |