1D8
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
CAJ | CAL | doub | 1.38Å | 1.40Å | Aromatic |
CAJ | CAN | sing | 1.38Å | 1.39Å | Aromatic |
CAL | CBC | sing | 1.40Å | 1.40Å | Aromatic |
CAN | CBF | doub | 1.39Å | 1.40Å | Aromatic |
OAA | CAW | doub | 1.21Å | 1.25Å | |
CBC | CAW | sing | 1.48Å | 1.40Å | |
CBC | CAQ | doub | 1.39Å | 1.40Å | Aromatic |
CAW | OAD | sing | 1.35Å | 1.25Å | |
CBF | CAQ | sing | 1.39Å | 1.40Å | Aromatic |
CBF | NBK | sing | 1.40Å | 1.35Å | |
NBK | CAZ | sing | 1.35Å | 1.33Å | |
NBK | CBJ | sing | 1.47Å | 1.50Å | |
OAC | CAZ | doub | 1.21Å | 1.25Å | |
CAZ | CAY | sing | 1.48Å | 1.35Å | |
CBJ | CBA | sing | 1.51Å | 1.43Å | |
CBJ | CBE | sing | 1.51Å | 1.45Å | |
CAY | CBA | doub | 1.35Å | 1.35Å | |
CAY | OAE | sing | 1.35Å | 1.36Å | |
CBA | CAX | sing | 1.47Å | 1.37Å | |
CAP | CBE | doub | 1.38Å | 1.39Å | Aromatic |
CAP | CBB | sing | 1.38Å | 1.39Å | Aromatic |
CBE | CAS | sing | 1.38Å | 1.40Å | Aromatic |
OAB | CAX | doub | 1.22Å | 1.25Å | |
CAX | CBD | sing | 1.48Å | 1.42Å | |
CLA | CBB | sing | 1.74Å | 1.76Å | |
CBB | CBI | doub | 1.39Å | 1.33Å | Aromatic |
CBD | CAR | doub | 1.40Å | 1.41Å | Aromatic |
CBD | CAM | sing | 1.40Å | 1.41Å | Aromatic |
CAS | CBG | doub | 1.39Å | 1.35Å | Aromatic |
CAR | CBH | sing | 1.38Å | 1.42Å | Aromatic |
FAG | CBL | sing | 1.40Å | 1.35Å | |
FAH | CBL | sing | 1.40Å | 1.23Å | |
CBI | CBG | sing | 1.39Å | 1.33Å | Aromatic |
CBI | OAV | sing | 1.37Å | 1.37Å | |
CBG | OAU | sing | 1.36Å | 1.36Å | |
CAM | CAK | doub | 1.38Å | 1.40Å | Aromatic |
CBH | CBL | sing | 1.51Å | 1.43Å | |
CBH | CAO | doub | 1.38Å | 1.39Å | Aromatic |
CBL | FAF | sing | 1.40Å | 1.30Å | |
OAV | CAT | sing | 1.44Å | 1.46Å | |
CAK | CAO | sing | 1.38Å | 1.41Å | Aromatic |
OAU | CAT | sing | 1.44Å | 1.43Å | |
CAR | H1 | sing | 1.08Å | 1.08Å | |
CAO | H2 | sing | 1.08Å | 1.08Å | |
CAK | H3 | sing | 1.08Å | 1.08Å | |
CAM | H4 | sing | 1.08Å | 1.08Å | |
OAE | H5 | sing | 0.97Å | 0.95Å | |
CAQ | H6 | sing | 1.08Å | 1.08Å | |
OAD | H7 | sing | 0.97Å | 0.95Å | |
CAL | H8 | sing | 1.08Å | 1.08Å | |
CAJ | H9 | sing | 1.08Å | 1.08Å | |
CAN | H10 | sing | 1.08Å | 1.08Å | |
CBJ | H11 | sing | 1.09Å | 1.10Å | |
CAS | H12 | sing | 1.08Å | 1.08Å | |
CAT | H13 | sing | 1.09Å | 1.10Å | |
CAT | H14 | sing | 1.09Å | 1.10Å | |
CAP | H15 | sing | 1.08Å | 1.08Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
CAL | CAJ | CAN | 118.7° | 120.3° |
CAJ | CAL | CBC | 121.3° | 120.0° |
CAJ | CAL | H8 | 119.3° | 120.0° |
CAL | CAJ | H9 | 120.6° | 119.9° |
CAJ | CAN | CBF | 120.9° | 120.2° |
CAN | CAJ | H9 | 120.7° | 119.9° |
CAJ | CAN | H10 | 119.5° | 119.9° |
CAL | CBC | CAW | 119.6° | 120.1° |
CAL | CBC | CAQ | 119.6° | 119.8° |
CBC | CAL | H8 | 119.4° | 120.0° |
CAN | CBF | CAQ | 119.7° | 120.0° |
CAN | CBF | NBK | 119.8° | 120.0° |
CBF | CAN | H10 | 119.5° | 119.9° |
OAA | CAW | CBC | 119.6° | 120.0° |
OAA | CAW | OAD | 118.8° | 120.0° |
CAW | CBC | CAQ | 120.8° | 120.1° |
CBC | CAW | OAD | 121.6° | 120.0° |
CBC | CAQ | CBF | 119.7° | 119.8° |
CBC | CAQ | H6 | 120.1° | 120.1° |
CAW | OAD | H7 | 109.5° | 117.0° |
CAQ | CBF | NBK | 120.5° | 120.0° |
CBF | CAQ | H6 | 120.2° | 120.2° |
CBF | NBK | CAZ | 126.2° | 126.1° |
CBF | NBK | CBJ | 128.2° | 126.0° |
CAZ | NBK | CBJ | 105.5° | 107.9° |
NBK | CAZ | OAC | 124.0° | 125.0° |
NBK | CAZ | CAY | 111.9° | 109.9° |
NBK | CBJ | CBA | 104.5° | 106.2° |
NBK | CBJ | CBE | 110.5° | 110.1° |
NBK | CBJ | H11 | 110.1° | 110.1° |
OAC | CAZ | CAY | 124.0° | 125.0° |
CAZ | CAY | CBA | 110.0° | 109.2° |
CAZ | CAY | OAE | 122.5° | 125.4° |
CBA | CBJ | CBE | 109.6° | 110.5° |
CBJ | CBA | CAY | 107.9° | 106.8° |
CBJ | CBA | CAX | 121.4° | 126.6° |
CBA | CBJ | H11 | 111.1° | 109.8° |
CBJ | CBE | CAP | 119.4° | 119.9° |
CBJ | CBE | CAS | 123.7° | 119.9° |
CBE | CBJ | H11 | 110.8° | 110.2° |
CBA | CAY | OAE | 127.5° | 125.4° |
CAY | CBA | CAX | 130.6° | 126.7° |
CAY | OAE | H5 | 109.5° | 114.0° |
CBA | CAX | OAB | 117.2° | 120.0° |
CBA | CAX | CBD | 125.7° | 120.0° |
CBE | CAP | CBB | 117.1° | 120.1° |
CAP | CBE | CAS | 116.9° | 120.1° |
CBE | CAP | H15 | 121.4° | 119.9° |
CAP | CBB | CLA | 119.0° | 120.0° |
CAP | CBB | CBI | 124.3° | 120.0° |
CBB | CAP | H15 | 121.4° | 119.9° |
CBE | CAS | CBG | 122.2° | 120.1° |
CBE | CAS | H12 | 118.9° | 119.9° |
OAB | CAX | CBD | 115.4° | 120.0° |
CAX | CBD | CAR | 124.1° | 120.1° |
CAX | CBD | CAM | 118.3° | 120.2° |
CLA | CBB | CBI | 116.7° | 120.0° |
CBB | CBI | CBG | 119.0° | 119.8° |
CBB | CBI | OAV | 129.9° | 131.5° |
CAR | CBD | CAM | 116.6° | 119.7° |
CBD | CAR | CBH | 122.3° | 119.8° |
CBD | CAR | H1 | 118.9° | 120.0° |
CBD | CAM | CAK | 121.7° | 119.8° |
CBD | CAM | H4 | 119.2° | 120.1° |
CAS | CBG | CBI | 120.3° | 119.8° |
CAS | CBG | OAU | 130.2° | 131.5° |
CBG | CAS | H12 | 118.9° | 120.0° |
CAR | CBH | CBL | 122.0° | 119.9° |
CAR | CBH | CAO | 119.2° | 120.2° |
CBH | CAR | H1 | 118.8° | 120.1° |
FAG | CBL | FAH | 108.6° | 109.5° |
FAG | CBL | CBH | 107.8° | 109.5° |
FAG | CBL | FAF | 107.6° | 109.5° |
FAH | CBL | CBH | 112.5° | 109.4° |
FAH | CBL | FAF | 107.3° | 109.5° |
CBG | CBI | OAV | 111.0° | 108.6° |
CBI | CBG | OAU | 109.4° | 108.7° |
CBI | OAV | CAT | 104.9° | 105.5° |
CBG | OAU | CAT | 107.1° | 105.5° |
CAM | CAK | CAO | 120.3° | 120.2° |
CAM | CAK | H3 | 119.8° | 119.9° |
CAK | CAM | H4 | 119.1° | 120.0° |
CBL | CBH | CAO | 118.8° | 119.9° |
CBH | CBL | FAF | 112.9° | 109.5° |
CBH | CAO | CAK | 119.7° | 120.3° |
CBH | CAO | H2 | 120.1° | 119.9° |
OAV | CAT | OAU | 104.0° | 103.7° |
OAV | CAT | H13 | 110.8° | 110.5° |
OAV | CAT | H14 | 110.8° | 110.7° |
CAK | CAO | H2 | 120.1° | 119.9° |
CAO | CAK | H3 | 119.9° | 120.0° |
OAU | CAT | H13 | 110.8° | 110.6° |
OAU | CAT | H14 | 110.8° | 110.6° |
H13 | CAT | H14 | 109.4° | 110.6° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
CAL | CAJ | CAN | H9 | 180.0° | 179.7° |
CAJ | CAL | CBC | H8 | 180.0° | 179.9° |
CAL | CAJ | CAN | CBF | 0.2° | 0.5° |
CAJ | CAL | CBC | CAW | 179.5° | 180.0° |
CAJ | CAL | CBC | CAQ | 0.2° | 0.0° |
CAL | CAJ | CAN | H10 | 179.8° | 180.0° |
CAN | CAJ | CAL | CBC | 0.2° | 0.3° |
CAJ | CAN | CBF | H10 | 180.0° | 179.5° |
CAJ | CAN | CBF | CAQ | 0.1° | 0.5° |
CAJ | CAN | CBF | NBK | 179.3° | 179.8° |
CAN | CAJ | CAL | H8 | 179.8° | 179.8° |
CAL | CBC | CAW | OAA | 1.6° | 180.0° |
CAL | CBC | CAW | CAQ | 179.3° | 180.0° |
CAL | CBC | CAW | OAD | 178.7° | 0.0° |
CAL | CBC | CAQ | CBF | 0.2° | 0.0° |
CAL | CBC | CAQ | H6 | 179.9° | 180.0° |
CBC | CAL | CAJ | H9 | 179.7° | 180.0° |
CAN | CBF | CAQ | CBC | 0.1° | 0.3° |
CAN | CBF | CAQ | NBK | 179.4° | 179.7° |
CAN | CBF | NBK | CAZ | 135.5° | 179.7° |
CAN | CBF | NBK | CBJ | 45.7° | 0.0° |
CAN | CBF | CAQ | H6 | 179.9° | 179.8° |
CBF | CAN | CAJ | H9 | 179.8° | 179.7° |
OAA | CAW | CBC | OAD | 179.7° | 179.9° |
OAA | CAW | CBC | CAQ | 179.2° | 0.0° |
OAA | CAW | OAD | H7 | 0.0° | 0.1° |
CAW | CBC | CAQ | CBF | 179.4° | 180.0° |
CAW | CBC | CAQ | H6 | 0.6° | 0.0° |
CBC | CAW | OAD | H7 | 179.7° | 180.0° |
CAW | CBC | CAL | H8 | 0.5° | 0.0° |
CAQ | CBC | CAW | OAD | 0.5° | 180.0° |
CBC | CAQ | CBF | H6 | 180.0° | 180.0° |
CBC | CAQ | CBF | NBK | 179.3° | 180.0° |
CAQ | CBC | CAL | H8 | 179.8° | 180.0° |
CAQ | CBF | NBK | CAZ | 43.8° | 0.0° |
CAQ | CBF | NBK | CBJ | 135.0° | 179.7° |
CAQ | CBF | CAN | H10 | 179.9° | 180.0° |
CBF | NBK | CAZ | CBJ | 179.0° | 179.7° |
CBF | NBK | CAZ | OAC | 0.7° | 0.0° |
CBF | NBK | CAZ | CAY | 177.9° | 180.0° |
CBF | NBK | CBJ | CBA | 177.1° | 179.8° |
CBF | NBK | CBJ | CBE | 65.1° | 60.5° |
NBK | CBF | CAQ | H6 | 0.7° | 0.1° |
NBK | CBF | CAN | H10 | 0.8° | 0.3° |
CBF | NBK | CBJ | H11 | 57.7° | 61.1° |
NBK | CAZ | OAC | CAY | 176.9° | 179.9° |
CAZ | NBK | CBJ | CBA | 3.9° | 0.4° |
CAZ | NBK | CBJ | CBE | 113.9° | 119.2° |
NBK | CAZ | CAY | CBA | 1.0° | 0.0° |
NBK | CAZ | CAY | OAE | 178.3° | 180.0° |
CAZ | NBK | CBJ | H11 | 123.3° | 119.2° |
CBJ | NBK | CAZ | OAC | 179.7° | 179.7° |
CBJ | NBK | CAZ | CAY | 3.1° | 0.3° |
NBK | CBJ | CBA | CBE | 118.4° | 119.4° |
NBK | CBJ | CBA | H11 | 118.8° | 118.9° |
NBK | CBJ | CBE | H11 | 122.4° | 121.6° |
NBK | CBJ | CBA | CAY | 3.4° | 0.5° |
NBK | CBJ | CBA | CAX | 174.1° | 179.9° |
NBK | CBJ | CBE | CAP | 125.2° | 45.2° |
NBK | CBJ | CBE | CAS | 55.1° | 134.5° |
OAC | CAZ | CAY | CBA | 178.2° | 180.0° |
OAC | CAZ | CAY | OAE | 1.0° | 0.1° |
CAZ | CAY | CBA | CBJ | 1.7° | 0.3° |
CAZ | CAY | CBA | OAE | 179.2° | 180.0° |
CAZ | CAY | CBA | CAX | 175.5° | 180.0° |
CAZ | CAY | OAE | H5 | 0.5° | 0.0° |
CBA | CBJ | CBE | H11 | 123.0° | 121.5° |
CBJ | CBA | CAY | CAX | 177.2° | 179.7° |
CBJ | CBA | CAY | OAE | 179.1° | 179.7° |
CBA | CBJ | CBE | CAP | 120.2° | 71.7° |
CBA | CBJ | CBE | CAS | 59.5° | 108.6° |
CBJ | CBA | CAX | OAB | 1.1° | 113.7° |
CBJ | CBA | CAX | CBD | 163.1° | 66.3° |
CBE | CBJ | CBA | CAY | 115.0° | 118.9° |
CBE | CBJ | CBA | CAX | 67.5° | 60.8° |
CBJ | CBE | CAP | CAS | 179.7° | 179.7° |
CBJ | CBE | CAP | CBB | 178.7° | 179.7° |
CBJ | CBE | CAS | CBG | 178.6° | 180.0° |
CBJ | CBE | CAS | H12 | 1.3° | 0.0° |
CBJ | CBE | CAP | H15 | 1.3° | 0.0° |
CAY | CBA | CAX | OAB | 175.8° | 65.9° |
CAY | CBA | CAX | CBD | 20.0° | 114.0° |
CBA | CAY | OAE | H5 | 178.6° | 180.0° |
CAY | CBA | CBJ | H11 | 122.1° | 119.4° |
OAE | CAY | CBA | CAX | 3.7° | 0.0° |
CBA | CAX | OAB | CBD | 165.8° | 179.9° |
CBA | CAX | CBD | CAR | 151.0° | 176.4° |
CBA | CAX | CBD | CAM | 41.0° | 3.6° |
CAX | CBA | CBJ | H11 | 55.4° | 60.9° |
CBE | CAP | CBB | H15 | 180.0° | 179.8° |
CBE | CAP | CBB | CLA | 180.0° | 179.7° |
CBE | CAP | CBB | CBI | 1.6° | 0.5° |
CAP | CBE | CAS | CBG | 1.1° | 0.3° |
CAP | CBE | CBJ | H11 | 2.8° | 166.8° |
CAP | CBE | CAS | H12 | 178.9° | 179.7° |
CBB | CAP | CBE | CAS | 1.1° | 0.5° |
CAP | CBB | CLA | CBI | 178.6° | 179.8° |
CAP | CBB | CBI | CBG | 2.0° | 0.2° |
CAP | CBB | CBI | OAV | 179.3° | 179.7° |
CBE | CAS | CBG | H12 | 180.0° | 180.0° |
CBE | CAS | CBG | CBI | 1.5° | 0.0° |
CBE | CAS | CBG | OAU | 179.6° | 180.0° |
CAS | CBE | CBJ | H11 | 177.5° | 12.9° |
CAS | CBE | CAP | H15 | 178.9° | 179.7° |
OAB | CAX | CBD | CAR | 44.6° | 3.7° |
OAB | CAX | CBD | CAM | 123.4° | 176.4° |
CAX | CBD | CAR | CAM | 168.2° | 179.9° |
CAX | CBD | CAR | CBH | 173.7° | 180.0° |
CAX | CBD | CAM | CAK | 175.4° | 179.7° |
CAX | CBD | CAR | H1 | 6.3° | 0.1° |
CAX | CBD | CAM | H4 | 4.6° | 0.0° |
CLA | CBB | CBI | CBG | 179.5° | 180.0° |
CLA | CBB | CBI | OAV | 2.3° | 0.1° |
CLA | CBB | CAP | H15 | 0.1° | 0.0° |
CBB | CBI | CBG | CAS | 1.9° | 0.1° |
CBB | CBI | CBG | OAV | 177.7° | 179.9° |
CBB | CBI | CBG | OAU | 179.7° | 180.0° |
CBB | CBI | OAV | CAT | 167.6° | 162.8° |
CBI | CBB | CAP | H15 | 178.4° | 179.8° |
CBD | CAR | CBH | H1 | 180.0° | 179.9° |
CAR | CBD | CAM | CAK | 6.5° | 0.2° |
CBD | CAR | CBH | CBL | 175.7° | 180.0° |
CBD | CAR | CBH | CAO | 1.7° | 0.3° |
CAR | CBD | CAM | H4 | 173.5° | 179.9° |
CAM | CBD | CAR | CBH | 5.5° | 0.1° |
CBD | CAM | CAK | H4 | 180.0° | 179.7° |
CBD | CAM | CAK | CAO | 3.8° | 0.2° |
CAM | CBD | CAR | H1 | 174.5° | 180.0° |
CBD | CAM | CAK | H3 | 176.2° | 179.7° |
CAS | CBG | CBI | OAU | 178.4° | 179.9° |
CAS | CBG | CBI | OAV | 179.6° | 180.0° |
CAS | CBG | OAU | CAT | 168.6° | 162.7° |
CAR | CBH | CBL | FAG | 95.4° | 60.3° |
CAR | CBH | CBL | FAH | 24.4° | 59.7° |
CAR | CBH | CBL | CAO | 177.5° | 179.7° |
CAR | CBH | CBL | FAF | 146.0° | 179.7° |
CAR | CBH | CAO | CAK | 1.3° | 0.3° |
CAR | CBH | CAO | H2 | 178.7° | 179.7° |
FAG | CBL | FAH | CBH | 119.2° | 120.0° |
FAG | CBL | FAH | FAF | 116.0° | 120.1° |
FAG | CBL | CBH | FAF | 118.7° | 120.0° |
FAG | CBL | CBH | CAO | 82.1° | 120.0° |
FAH | CBL | CBH | FAF | 121.6° | 120.0° |
FAH | CBL | CBH | CAO | 158.2° | 120.0° |
CBG | CBI | OAV | CAT | 9.8° | 17.3° |
CBI | CBG | OAU | CAT | 13.2° | 17.3° |
CBI | CBG | CAS | H12 | 178.5° | 180.0° |
OAV | CBI | CBG | OAU | 2.0° | 0.0° |
CBI | OAV | CAT | OAU | 16.9° | 27.1° |
CBI | OAV | CAT | H13 | 102.2° | 91.4° |
CBI | OAV | CAT | H14 | 136.1° | 145.7° |
CBG | OAU | CAT | OAV | 18.4° | 27.1° |
OAU | CBG | CAS | H12 | 0.5° | 0.1° |
CBG | OAU | CAT | H13 | 100.7° | 91.4° |
CBG | OAU | CAT | H14 | 137.6° | 145.8° |
CAM | CAK | CAO | CBH | 0.3° | 0.1° |
CAM | CAK | CAO | H3 | 180.0° | 179.9° |
CAM | CAK | CAO | H2 | 179.7° | 180.0° |
CBL | CBH | CAO | CAK | 178.8° | 180.0° |
CBL | CBH | CAR | H1 | 4.3° | 0.1° |
CBL | CBH | CAO | H2 | 1.2° | 0.0° |
CAO | CBH | CBL | FAF | 36.6° | 0.0° |
CBH | CAO | CAK | H2 | 180.0° | 180.0° |
CAO | CBH | CAR | H1 | 178.3° | 179.8° |
CBH | CAO | CAK | H3 | 179.7° | 179.9° |
OAV | CAT | OAU | H13 | 119.1° | 118.5° |
OAV | CAT | OAU | H14 | 119.1° | 118.7° |
OAV | CAT | H13 | H14 | 122.5° | 122.9° |
CAO | CAK | CAM | H4 | 176.2° | 179.9° |
OAU | CAT | H13 | H14 | 122.5° | 122.8° |
H2 | CAO | CAK | H3 | 0.3° | 0.1° |
H3 | CAK | CAM | H4 | 3.8° | 0.0° |
H8 | CAL | CAJ | H9 | 0.3° | 0.0° |
H9 | CAJ | CAN | H10 | 0.2° | 0.2° |