EB8
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
CAN | CAO | sing | 1.53Å | 1.51Å | |
CAN | NAK | sing | 1.47Å | 1.48Å | |
NAK | CAF | sing | 1.39Å | 1.34Å | |
NAK | CAL | sing | 1.36Å | 1.35Å | |
CAA | CAF | doub | 1.38Å | 1.35Å | Aromatic |
CAA | CAB | sing | 1.39Å | 1.41Å | Aromatic |
CAF | CAE | sing | 1.39Å | 1.36Å | Aromatic |
OAM | CAL | doub | 1.22Å | 1.25Å | |
CAL | CAJ | sing | 1.47Å | 1.37Å | |
CAB | CAC | doub | 1.39Å | 1.43Å | Aromatic |
CAE | CAJ | doub | 1.40Å | 1.34Å | Aromatic |
CAE | CAD | sing | 1.40Å | 1.36Å | Aromatic |
CAJ | CAI | sing | 1.39Å | 1.35Å | Aromatic |
CAC | CAD | sing | 1.41Å | 1.43Å | Aromatic |
CAC | NAP | sing | 1.39Å | 1.33Å | |
CAD | CAG | doub | 1.40Å | 1.42Å | Aromatic |
OAS | SAQ | doub | 1.42Å | 1.50Å | |
NAP | SAQ | sing | 1.66Å | 1.70Å | |
CAI | CAH | doub | 1.39Å | 1.41Å | Aromatic |
CAG | CAH | sing | 1.38Å | 1.41Å | Aromatic |
SAQ | OAT | doub | 1.42Å | 1.49Å | |
SAQ | CAR | sing | 1.76Å | 1.79Å | |
CAY | CAR | doub | 1.38Å | 1.39Å | Aromatic |
CAY | CAX | sing | 1.38Å | 1.36Å | Aromatic |
CAR | CAU | sing | 1.40Å | 1.42Å | Aromatic |
CAX | CAW | doub | 1.38Å | 1.38Å | Aromatic |
OBB | CAZ | doub | 1.21Å | 1.23Å | |
CAU | CAZ | sing | 1.48Å | 1.43Å | |
CAU | CAV | doub | 1.40Å | 1.40Å | Aromatic |
CAZ | OBA | sing | 1.35Å | 1.38Å | |
CAW | CAV | sing | 1.38Å | 1.39Å | Aromatic |
OBA | CBC | sing | 1.45Å | 1.45Å | |
CAO | H1 | sing | 1.09Å | 1.10Å | |
CAO | H2 | sing | 1.09Å | 1.10Å | |
CAO | H3 | sing | 1.09Å | 1.10Å | |
CAN | H4 | sing | 1.09Å | 1.10Å | |
CAN | H5 | sing | 1.09Å | 1.10Å | |
CAI | H6 | sing | 1.08Å | 1.08Å | |
CAH | H7 | sing | 1.08Å | 1.08Å | |
CAG | H8 | sing | 1.08Å | 1.08Å | |
CAA | H9 | sing | 1.08Å | 1.08Å | |
CAB | H10 | sing | 1.08Å | 1.08Å | |
NAP | H11 | sing | 0.97Å | 1.00Å | |
CAY | H12 | sing | 1.08Å | 1.08Å | |
CAX | H13 | sing | 1.08Å | 1.08Å | |
CAW | H14 | sing | 1.08Å | 1.08Å | |
CAV | H15 | sing | 1.08Å | 1.08Å | |
CBC | H16 | sing | 1.09Å | 1.10Å | |
CBC | H17 | sing | 1.09Å | 1.10Å | |
CBC | H18 | sing | 1.09Å | 1.10Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
CAO | CAN | NAK | 109.5° | 109.5° |
CAN | CAO | H1 | 109.5° | 109.4° |
CAN | CAO | H2 | 109.5° | 109.5° |
CAN | CAO | H3 | 109.5° | 109.4° |
CAO | CAN | H4 | 109.4° | 109.5° |
CAO | CAN | H5 | 109.5° | 109.4° |
CAN | NAK | CAF | 125.5° | 124.8° |
CAN | NAK | CAL | 127.0° | 124.9° |
NAK | CAN | H4 | 109.4° | 109.5° |
NAK | CAN | H5 | 109.4° | 109.4° |
CAF | NAK | CAL | 107.5° | 110.3° |
NAK | CAF | CAA | 132.3° | 136.8° |
NAK | CAF | CAE | 107.9° | 106.9° |
NAK | CAL | OAM | 123.2° | 126.0° |
NAK | CAL | CAJ | 109.3° | 108.0° |
CAF | CAA | CAB | 119.6° | 120.2° |
CAA | CAF | CAE | 119.8° | 116.4° |
CAF | CAA | H9 | 120.2° | 119.9° |
CAA | CAB | CAC | 119.6° | 123.0° |
CAB | CAA | H9 | 120.2° | 119.9° |
CAA | CAB | H10 | 120.2° | 118.6° |
CAF | CAE | CAJ | 109.4° | 110.5° |
CAF | CAE | CAD | 125.6° | 125.3° |
OAM | CAL | CAJ | 127.4° | 126.0° |
CAL | CAJ | CAE | 105.9° | 104.3° |
CAL | CAJ | CAI | 136.2° | 138.8° |
CAB | CAC | CAD | 119.1° | 118.2° |
CAB | CAC | NAP | 122.3° | 120.9° |
CAC | CAB | H10 | 120.2° | 118.5° |
CAJ | CAE | CAD | 125.0° | 124.2° |
CAE | CAJ | CAI | 117.9° | 116.9° |
CAE | CAD | CAC | 116.3° | 117.0° |
CAE | CAD | CAG | 118.5° | 117.4° |
CAJ | CAI | CAH | 121.7° | 119.7° |
CAJ | CAI | H6 | 119.1° | 120.1° |
CAD | CAC | NAP | 118.3° | 120.9° |
CAC | CAD | CAG | 125.2° | 125.6° |
CAC | NAP | SAQ | 121.3° | 120.0° |
CAC | NAP | H11 | 106.5° | 120.0° |
CAD | CAG | CAH | 117.4° | 118.9° |
CAD | CAG | H8 | 121.3° | 120.6° |
OAS | SAQ | NAP | 111.3° | 106.4° |
OAS | SAQ | OAT | 118.6° | 123.2° |
OAS | SAQ | CAR | 106.1° | 106.4° |
NAP | SAQ | OAT | 107.4° | 106.4° |
NAP | SAQ | CAR | 104.2° | 107.2° |
SAQ | NAP | H11 | 106.4° | 120.0° |
CAI | CAH | CAG | 119.5° | 122.9° |
CAH | CAI | H6 | 119.2° | 120.1° |
CAI | CAH | H7 | 120.3° | 118.6° |
CAG | CAH | H7 | 120.3° | 118.5° |
CAH | CAG | H8 | 121.3° | 120.6° |
OAT | SAQ | CAR | 108.3° | 106.4° |
SAQ | CAR | CAY | 115.9° | 120.1° |
SAQ | CAR | CAU | 124.2° | 120.1° |
CAR | CAY | CAX | 121.9° | 120.2° |
CAY | CAR | CAU | 120.0° | 119.8° |
CAR | CAY | H12 | 119.1° | 119.9° |
CAY | CAX | CAW | 118.9° | 120.3° |
CAX | CAY | H12 | 119.1° | 119.9° |
CAY | CAX | H13 | 120.5° | 119.8° |
CAR | CAU | CAZ | 126.5° | 120.2° |
CAR | CAU | CAV | 117.1° | 119.7° |
CAX | CAW | CAV | 121.1° | 120.2° |
CAW | CAX | H13 | 120.6° | 119.9° |
CAX | CAW | H14 | 119.5° | 119.9° |
OBB | CAZ | CAU | 122.6° | 120.0° |
OBB | CAZ | OBA | 122.7° | 120.0° |
CAZ | CAU | CAV | 116.4° | 120.1° |
CAU | CAZ | OBA | 114.7° | 120.0° |
CAU | CAV | CAW | 121.1° | 119.8° |
CAU | CAV | H15 | 119.5° | 120.1° |
CAZ | OBA | CBC | 115.2° | 117.0° |
CAV | CAW | H14 | 119.4° | 119.9° |
CAW | CAV | H15 | 119.4° | 120.1° |
OBA | CBC | H16 | 109.5° | 109.5° |
OBA | CBC | H17 | 109.5° | 109.5° |
OBA | CBC | H18 | 109.5° | 109.5° |
H1 | CAO | H2 | 109.5° | 109.5° |
H1 | CAO | H3 | 109.4° | 109.5° |
H2 | CAO | H3 | 109.5° | 109.5° |
H4 | CAN | H5 | 109.5° | 109.5° |
H16 | CBC | H17 | 109.4° | 109.5° |
H16 | CBC | H18 | 109.4° | 109.4° |
H17 | CBC | H18 | 109.5° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
CAO | CAN | NAK | H4 | 120.0° | 120.1° |
CAO | CAN | NAK | H5 | 120.0° | 119.9° |
CAO | CAN | NAK | CAF | 90.2° | 90.0° |
CAO | CAN | NAK | CAL | 91.5° | 89.6° |
CAN | CAO | H1 | H2 | 120.0° | 120.0° |
CAN | CAO | H1 | H3 | 120.0° | 119.9° |
CAN | CAO | H2 | H3 | 120.0° | 120.0° |
CAO | CAN | H4 | H5 | 120.0° | 120.0° |
CAN | NAK | CAF | CAL | 178.6° | 179.7° |
CAN | NAK | CAF | CAA | 1.8° | 0.1° |
CAN | NAK | CAF | CAE | 180.0° | 179.9° |
CAN | NAK | CAL | OAM | 3.7° | 0.1° |
CAN | NAK | CAL | CAJ | 179.4° | 180.0° |
NAK | CAN | CAO | H1 | 180.0° | 60.1° |
NAK | CAN | CAO | H2 | 60.0° | 60.0° |
NAK | CAN | CAO | H3 | 60.0° | 180.0° |
NAK | CAN | H4 | H5 | 120.0° | 120.0° |
NAK | CAF | CAA | CAE | 178.0° | 179.8° |
NAK | CAF | CAA | CAB | 179.3° | 180.0° |
CAF | NAK | CAL | OAM | 177.7° | 179.7° |
CAF | NAK | CAL | CAJ | 0.8° | 0.3° |
NAK | CAF | CAE | CAJ | 1.4° | 0.4° |
NAK | CAF | CAE | CAD | 179.9° | 179.8° |
CAF | NAK | CAN | H4 | 149.8° | 30.1° |
CAF | NAK | CAN | H5 | 29.8° | 150.0° |
NAK | CAF | CAA | H9 | 0.7° | 0.1° |
CAL | NAK | CAF | CAA | 179.6° | 179.8° |
CAL | NAK | CAF | CAE | 1.4° | 0.4° |
NAK | CAL | OAM | CAJ | 176.3° | 180.0° |
NAK | CAL | CAJ | CAE | 0.1° | 0.0° |
NAK | CAL | CAJ | CAI | 178.6° | 180.0° |
CAL | NAK | CAN | H4 | 28.5° | 150.3° |
CAL | NAK | CAN | H5 | 148.6° | 30.3° |
CAF | CAA | CAB | H9 | 180.0° | 179.9° |
CAF | CAA | CAB | CAC | 1.6° | 0.8° |
CAA | CAF | CAE | CAJ | 179.9° | 179.7° |
CAA | CAF | CAE | CAD | 1.4° | 0.0° |
CAF | CAA | CAB | H10 | 178.4° | 180.0° |
CAB | CAA | CAF | CAE | 1.3° | 0.2° |
CAA | CAB | CAC | H10 | 180.0° | 179.2° |
CAA | CAB | CAC | CAD | 1.8° | 1.2° |
CAA | CAB | CAC | NAP | 175.2° | 180.0° |
CAF | CAE | CAJ | CAL | 0.9° | 0.2° |
CAF | CAE | CAJ | CAD | 178.7° | 179.8° |
CAF | CAE | CAJ | CAI | 179.7° | 179.8° |
CAF | CAE | CAD | CAC | 1.6° | 0.3° |
CAF | CAE | CAD | CAG | 179.3° | 179.7° |
CAE | CAF | CAA | H9 | 178.7° | 179.9° |
OAM | CAL | CAJ | CAE | 176.6° | 180.0° |
OAM | CAL | CAJ | CAI | 1.9° | 0.0° |
CAL | CAJ | CAE | CAI | 178.8° | 180.0° |
CAL | CAJ | CAE | CAD | 179.6° | 180.0° |
CAL | CAJ | CAI | CAH | 179.6° | 180.0° |
CAL | CAJ | CAI | H6 | 0.4° | 0.1° |
CAB | CAC | CAD | CAE | 1.8° | 0.9° |
CAB | CAC | CAD | NAP | 173.6° | 178.8° |
CAB | CAC | CAD | CAG | 179.2° | 179.2° |
CAB | CAC | NAP | SAQ | 59.5° | 35.5° |
CAC | CAB | CAA | H9 | 178.4° | 179.2° |
CAB | CAC | NAP | H11 | 178.8° | 144.6° |
CAJ | CAE | CAD | CAC | 179.9° | 179.9° |
CAJ | CAE | CAD | CAG | 0.8° | 0.0° |
CAE | CAJ | CAI | CAH | 2.0° | 0.0° |
CAE | CAJ | CAI | H6 | 178.0° | 179.9° |
CAD | CAE | CAJ | CAI | 1.5° | 0.0° |
CAE | CAD | CAC | CAG | 179.0° | 179.9° |
CAE | CAD | CAC | NAP | 175.4° | 179.7° |
CAE | CAD | CAG | CAH | 0.6° | 0.0° |
CAE | CAD | CAG | H8 | 179.4° | 180.0° |
CAJ | CAI | CAH | H6 | 180.0° | 180.0° |
CAJ | CAI | CAH | CAG | 1.8° | 0.0° |
CAJ | CAI | CAH | H7 | 178.2° | 179.9° |
CAD | CAC | NAP | SAQ | 127.0° | 145.6° |
CAC | CAD | CAG | CAH | 179.5° | 179.9° |
CAC | CAD | CAG | H8 | 0.5° | 0.1° |
CAD | CAC | CAB | H10 | 178.2° | 179.7° |
CAD | CAC | NAP | H11 | 5.4° | 34.3° |
NAP | CAC | CAD | CAG | 5.6° | 0.3° |
CAC | NAP | SAQ | OAS | 53.1° | 173.2° |
CAC | NAP | SAQ | H11 | 121.7° | 179.9° |
CAC | NAP | SAQ | OAT | 175.6° | 53.9° |
CAC | NAP | SAQ | CAR | 60.9° | 59.7° |
NAP | CAC | CAB | H10 | 4.8° | 0.8° |
CAD | CAG | CAH | CAI | 1.0° | 0.0° |
CAD | CAG | CAH | H8 | 180.0° | 180.0° |
CAD | CAG | CAH | H7 | 179.0° | 179.9° |
OAS | SAQ | NAP | OAT | 131.3° | 132.9° |
OAS | SAQ | NAP | CAR | 114.0° | 113.5° |
OAS | SAQ | OAT | CAR | 120.9° | 123.0° |
OAS | SAQ | CAR | CAY | 13.7° | 129.3° |
OAS | SAQ | CAR | CAU | 165.2° | 51.0° |
OAS | SAQ | NAP | H11 | 174.8° | 6.7° |
NAP | SAQ | OAT | CAR | 112.0° | 114.1° |
NAP | SAQ | CAR | CAY | 103.8° | 117.1° |
NAP | SAQ | CAR | CAU | 77.2° | 62.5° |
CAI | CAH | CAG | H7 | 180.0° | 179.9° |
CAI | CAH | CAG | H8 | 179.0° | 180.0° |
CAG | CAH | CAI | H6 | 178.2° | 179.9° |
OAT | SAQ | CAR | CAY | 142.1° | 3.6° |
OAT | SAQ | CAR | CAU | 36.9° | 176.0° |
OAT | SAQ | NAP | H11 | 53.9° | 126.2° |
SAQ | CAR | CAY | CAU | 179.0° | 179.6° |
SAQ | CAR | CAY | CAX | 179.0° | 180.0° |
SAQ | CAR | CAU | CAZ | 1.9° | 0.1° |
SAQ | CAR | CAU | CAV | 179.2° | 179.7° |
CAR | SAQ | NAP | H11 | 60.8° | 120.2° |
SAQ | CAR | CAY | H12 | 1.0° | 0.1° |
CAR | CAY | CAX | H12 | 180.0° | 179.9° |
CAR | CAY | CAX | CAW | 0.5° | 0.0° |
CAY | CAR | CAU | CAZ | 179.2° | 179.8° |
CAY | CAR | CAU | CAV | 0.2° | 0.6° |
CAR | CAY | CAX | H13 | 179.5° | 180.0° |
CAX | CAY | CAR | CAU | 0.0° | 0.3° |
CAY | CAX | CAW | H13 | 180.0° | 180.0° |
CAY | CAX | CAW | CAV | 1.2° | 0.0° |
CAY | CAX | CAW | H14 | 178.8° | 180.0° |
CAR | CAU | CAZ | OBB | 41.3° | 5.1° |
CAR | CAU | CAZ | CAV | 179.0° | 179.6° |
CAR | CAU | CAZ | OBA | 136.2° | 174.9° |
CAR | CAU | CAV | CAW | 0.9° | 0.6° |
CAU | CAR | CAY | H12 | 180.0° | 179.7° |
CAR | CAU | CAV | H15 | 179.1° | 179.7° |
CAX | CAW | CAV | CAU | 1.5° | 0.3° |
CAX | CAW | CAV | H14 | 180.0° | 179.9° |
CAW | CAX | CAY | H12 | 179.5° | 179.9° |
CAX | CAW | CAV | H15 | 178.5° | 180.0° |
OBB | CAZ | CAU | OBA | 177.5° | 180.0° |
OBB | CAZ | CAU | CAV | 137.7° | 175.3° |
OBB | CAZ | OBA | CBC | 0.4° | 5.1° |
CAZ | CAU | CAV | CAW | 180.0° | 179.7° |
CAU | CAZ | OBA | CBC | 177.1° | 175.0° |
CAZ | CAU | CAV | H15 | 0.0° | 0.0° |
CAV | CAU | CAZ | OBA | 44.8° | 4.7° |
CAU | CAV | CAW | H15 | 180.0° | 179.7° |
CAU | CAV | CAW | H14 | 178.5° | 179.7° |
CAZ | OBA | CBC | H16 | 180.0° | 55.1° |
CAZ | OBA | CBC | H17 | 60.0° | 64.9° |
CAZ | OBA | CBC | H18 | 60.0° | 175.1° |
CAV | CAW | CAX | H13 | 178.8° | 180.0° |
OBA | CBC | H16 | H17 | 120.0° | 120.0° |
OBA | CBC | H16 | H18 | 120.0° | 120.0° |
OBA | CBC | H17 | H18 | 120.0° | 120.0° |
H1 | CAO | H2 | H3 | 120.0° | 120.0° |
H1 | CAO | CAN | H4 | 60.0° | 60.0° |
H1 | CAO | CAN | H5 | 60.0° | 180.0° |
H2 | CAO | CAN | H4 | 60.0° | 180.0° |
H2 | CAO | CAN | H5 | 180.0° | 60.0° |
H3 | CAO | CAN | H4 | 180.0° | 59.9° |
H3 | CAO | CAN | H5 | 60.0° | 60.1° |
H6 | CAI | CAH | H7 | 1.8° | 0.0° |
H7 | CAH | CAG | H8 | 1.0° | 0.1° |
H9 | CAA | CAB | H10 | 1.5° | 0.1° |
H12 | CAY | CAX | H13 | 0.5° | 0.0° |
H13 | CAX | CAW | H14 | 1.2° | 0.0° |
H14 | CAW | CAV | H15 | 1.5° | 0.0° |
H16 | CBC | H17 | H18 | 120.0° | 120.0° |