1D9
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAL | CAO | doub | 1.38Å | 1.40Å | Aromatic |
| CAL | CAR | sing | 1.38Å | 1.40Å | Aromatic |
| CAO | CBC | sing | 1.40Å | 1.43Å | Aromatic |
| OAD | CAX | doub | 1.21Å | 1.23Å | |
| CAR | CBF | doub | 1.39Å | 1.42Å | Aromatic |
| CBC | CAX | sing | 1.48Å | 1.41Å | |
| CBC | CAU | doub | 1.39Å | 1.41Å | Aromatic |
| CAX | OAA | sing | 1.35Å | 1.26Å | |
| CBF | CAU | sing | 1.39Å | 1.41Å | Aromatic |
| CBF | NBJ | sing | 1.40Å | 1.37Å | |
| OAC | CBA | doub | 1.22Å | 1.24Å | |
| NBJ | CBA | sing | 1.35Å | 1.33Å | |
| NBJ | CBI | sing | 1.47Å | 1.46Å | |
| CBA | CAZ | sing | 1.48Å | 1.38Å | |
| CBI | CBB | sing | 1.51Å | 1.45Å | |
| CBI | CBE | sing | 1.51Å | 1.44Å | |
| CAZ | CBB | doub | 1.35Å | 1.37Å | |
| CAZ | OAE | sing | 1.35Å | 1.37Å | |
| CBB | CAY | sing | 1.47Å | 1.42Å | |
| CBE | CAW | doub | 1.38Å | 1.36Å | Aromatic |
| CBE | CAQ | sing | 1.38Å | 1.42Å | Aromatic |
| OAB | CAY | doub | 1.22Å | 1.22Å | |
| CAW | CBH | sing | 1.38Å | 1.40Å | Aromatic |
| CAY | CBD | sing | 1.48Å | 1.43Å | |
| FAI | CBL | sing | 1.40Å | 1.25Å | |
| CAQ | CAN | doub | 1.38Å | 1.38Å | Aromatic |
| FAJ | CBL | sing | 1.40Å | 1.23Å | |
| CBD | CAV | doub | 1.40Å | 1.42Å | Aromatic |
| CBD | CAP | sing | 1.40Å | 1.45Å | Aromatic |
| CBH | CBL | sing | 1.51Å | 1.32Å | |
| CBH | CAT | doub | 1.38Å | 1.38Å | Aromatic |
| CAV | CBG | sing | 1.38Å | 1.45Å | Aromatic |
| CBL | FAK | sing | 1.40Å | 1.39Å | |
| FAF | CBK | sing | 1.40Å | 1.33Å | |
| CAN | CAT | sing | 1.38Å | 1.39Å | Aromatic |
| FAG | CBK | sing | 1.40Å | 1.24Å | |
| CAP | CAM | doub | 1.38Å | 1.43Å | Aromatic |
| CBG | CBK | sing | 1.51Å | 1.48Å | |
| CBG | CAS | doub | 1.38Å | 1.40Å | Aromatic |
| CBK | FAH | sing | 1.40Å | 1.38Å | |
| CAM | CAS | sing | 1.38Å | 1.42Å | Aromatic |
| CAW | H1 | sing | 1.08Å | 1.08Å | |
| CAT | H2 | sing | 1.08Å | 1.08Å | |
| CAN | H3 | sing | 1.08Å | 1.08Å | |
| CAQ | H4 | sing | 1.08Å | 1.08Å | |
| CBI | H5 | sing | 1.09Å | 1.10Å | |
| CAU | H6 | sing | 1.08Å | 1.08Å | |
| OAA | H7 | sing | 0.97Å | 0.95Å | |
| CAO | H8 | sing | 1.08Å | 1.08Å | |
| CAL | H9 | sing | 1.08Å | 1.08Å | |
| CAR | H10 | sing | 1.08Å | 1.08Å | |
| OAE | H11 | sing | 0.97Å | 0.95Å | |
| CAV | H12 | sing | 1.08Å | 1.08Å | |
| CAS | H13 | sing | 1.08Å | 1.08Å | |
| CAM | H14 | sing | 1.08Å | 1.08Å | |
| CAP | H15 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAO | CAL | CAR | 119.9° | 120.2° |
| CAL | CAO | CBC | 120.3° | 120.0° |
| CAL | CAO | H8 | 119.8° | 120.0° |
| CAO | CAL | H9 | 120.1° | 119.9° |
| CAL | CAR | CBF | 120.3° | 120.2° |
| CAR | CAL | H9 | 120.1° | 119.9° |
| CAL | CAR | H10 | 119.9° | 119.9° |
| CAO | CBC | CAX | 119.3° | 120.1° |
| CAO | CBC | CAU | 119.7° | 119.8° |
| CBC | CAO | H8 | 119.8° | 120.0° |
| OAD | CAX | CBC | 119.2° | 120.0° |
| OAD | CAX | OAA | 119.5° | 120.0° |
| CAR | CBF | CAU | 120.2° | 120.0° |
| CAR | CBF | NBJ | 119.4° | 120.0° |
| CBF | CAR | H10 | 119.9° | 119.9° |
| CAX | CBC | CAU | 121.0° | 120.1° |
| CBC | CAX | OAA | 121.2° | 120.0° |
| CBC | CAU | CBF | 119.7° | 119.8° |
| CBC | CAU | H6 | 120.2° | 120.1° |
| CAX | OAA | H7 | 109.5° | 117.0° |
| CAU | CBF | NBJ | 120.3° | 120.0° |
| CBF | CAU | H6 | 120.1° | 120.1° |
| CBF | NBJ | CBA | 126.4° | 126.1° |
| CBF | NBJ | CBI | 125.8° | 126.0° |
| OAC | CBA | NBJ | 123.4° | 125.0° |
| OAC | CBA | CAZ | 123.5° | 125.0° |
| CBA | NBJ | CBI | 107.3° | 107.9° |
| NBJ | CBA | CAZ | 111.8° | 110.0° |
| NBJ | CBI | CBB | 104.1° | 106.1° |
| NBJ | CBI | CBE | 107.6° | 110.1° |
| NBJ | CBI | H5 | 111.7° | 110.2° |
| CBA | CAZ | CBB | 107.7° | 109.2° |
| CBA | CAZ | OAE | 123.0° | 125.4° |
| CBB | CBI | CBE | 108.9° | 110.1° |
| CBI | CBB | CAZ | 108.5° | 106.8° |
| CBI | CBB | CAY | 121.1° | 126.5° |
| CBB | CBI | H5 | 112.0° | 110.2° |
| CBI | CBE | CAW | 118.8° | 119.9° |
| CBI | CBE | CAQ | 121.1° | 120.0° |
| CBE | CBI | H5 | 112.1° | 110.1° |
| CBB | CAZ | OAE | 128.8° | 125.4° |
| CAZ | CBB | CAY | 130.4° | 126.6° |
| CAZ | OAE | H11 | 109.5° | 114.0° |
| CBB | CAY | OAB | 118.7° | 120.0° |
| CBB | CAY | CBD | 121.8° | 120.0° |
| CAW | CBE | CAQ | 120.1° | 120.0° |
| CBE | CAW | CBH | 120.0° | 120.0° |
| CBE | CAW | H1 | 120.0° | 120.0° |
| CBE | CAQ | CAN | 119.0° | 120.0° |
| CBE | CAQ | H4 | 120.5° | 120.0° |
| OAB | CAY | CBD | 117.7° | 120.0° |
| CAW | CBH | CBL | 118.9° | 120.0° |
| CAW | CBH | CAT | 120.6° | 120.0° |
| CBH | CAW | H1 | 120.0° | 120.0° |
| CAY | CBD | CAV | 119.5° | 120.1° |
| CAY | CBD | CAP | 119.9° | 120.2° |
| FAI | CBL | FAJ | 109.1° | 109.4° |
| FAI | CBL | CBH | 109.8° | 109.5° |
| FAI | CBL | FAK | 108.4° | 109.5° |
| CAQ | CAN | CAT | 120.3° | 120.0° |
| CAQ | CAN | H3 | 119.8° | 120.0° |
| CAN | CAQ | H4 | 120.5° | 120.0° |
| FAJ | CBL | CBH | 110.2° | 109.5° |
| FAJ | CBL | FAK | 110.9° | 109.5° |
| CAV | CBD | CAP | 118.7° | 119.7° |
| CBD | CAV | CBG | 121.3° | 119.8° |
| CBD | CAV | H12 | 119.3° | 120.1° |
| CBD | CAP | CAM | 118.7° | 119.9° |
| CBD | CAP | H15 | 120.6° | 120.1° |
| CBL | CBH | CAT | 120.5° | 120.0° |
| CBH | CBL | FAK | 108.4° | 109.5° |
| CBH | CAT | CAN | 119.8° | 120.0° |
| CBH | CAT | H2 | 120.1° | 120.0° |
| CAV | CBG | CBK | 120.5° | 119.9° |
| CAV | CBG | CAS | 118.9° | 120.2° |
| CBG | CAV | H12 | 119.3° | 120.1° |
| FAF | CBK | FAG | 109.4° | 109.5° |
| FAF | CBK | CBG | 109.6° | 109.5° |
| FAF | CBK | FAH | 108.5° | 109.5° |
| CAN | CAT | H2 | 120.1° | 120.0° |
| CAT | CAN | H3 | 119.8° | 120.0° |
| FAG | CBK | CBG | 110.5° | 109.5° |
| FAG | CBK | FAH | 107.8° | 109.5° |
| CAP | CAM | CAS | 120.8° | 120.1° |
| CAP | CAM | H14 | 119.6° | 119.9° |
| CAM | CAP | H15 | 120.6° | 120.1° |
| CBK | CBG | CAS | 120.5° | 119.9° |
| CBG | CBK | FAH | 111.0° | 109.5° |
| CBG | CAS | CAM | 120.7° | 120.3° |
| CBG | CAS | H13 | 119.7° | 119.8° |
| CAM | CAS | H13 | 119.6° | 119.8° |
| CAS | CAM | H14 | 119.6° | 119.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAO | CAL | CAR | H9 | 180.0° | 179.8° |
| CAL | CAO | CBC | H8 | 180.0° | 180.0° |
| CAO | CAL | CAR | CBF | 0.3° | 0.5° |
| CAL | CAO | CBC | CAX | 179.3° | 180.0° |
| CAL | CAO | CBC | CAU | 1.1° | 0.1° |
| CAO | CAL | CAR | H10 | 179.7° | 180.0° |
| CAR | CAL | CAO | CBC | 0.4° | 0.2° |
| CAL | CAR | CBF | H10 | 180.0° | 179.5° |
| CAL | CAR | CBF | CAU | 0.3° | 0.5° |
| CAL | CAR | CBF | NBJ | 177.1° | 179.7° |
| CAR | CAL | CAO | H8 | 179.6° | 179.8° |
| CAO | CBC | CAX | OAD | 4.1° | 180.0° |
| CAO | CBC | CAX | CAU | 179.6° | 180.0° |
| CAO | CBC | CAX | OAA | 178.3° | 0.0° |
| CAO | CBC | CAU | CBF | 1.1° | 0.0° |
| CAO | CBC | CAU | H6 | 178.9° | 180.0° |
| CBC | CAO | CAL | H9 | 179.6° | 180.0° |
| OAD | CAX | CBC | OAA | 177.6° | 180.0° |
| OAD | CAX | CBC | CAU | 176.3° | 0.0° |
| OAD | CAX | OAA | H7 | 0.0° | 0.0° |
| CAR | CBF | CAU | CBC | 0.4° | 0.3° |
| CAR | CBF | CAU | NBJ | 176.8° | 179.8° |
| CAR | CBF | NBJ | CBA | 127.1° | 179.8° |
| CAR | CBF | NBJ | CBI | 43.1° | 0.2° |
| CAR | CBF | CAU | H6 | 179.6° | 179.7° |
| CBF | CAR | CAL | H9 | 179.7° | 179.7° |
| CAX | CBC | CAU | CBF | 179.4° | 180.0° |
| CAX | CBC | CAU | H6 | 0.7° | 0.0° |
| CBC | CAX | OAA | H7 | 177.6° | 180.0° |
| CAX | CBC | CAO | H8 | 0.7° | 0.0° |
| CAU | CBC | CAX | OAA | 1.3° | 180.0° |
| CBC | CAU | CBF | H6 | 180.0° | 180.0° |
| CBC | CAU | CBF | NBJ | 176.4° | 180.0° |
| CAU | CBC | CAO | H8 | 178.9° | 180.0° |
| CAU | CBF | NBJ | CBA | 49.7° | 0.0° |
| CAU | CBF | NBJ | CBI | 140.1° | 180.0° |
| CAU | CBF | CAR | H10 | 179.7° | 180.0° |
| CBF | NBJ | CBA | OAC | 15.0° | 0.0° |
| CBF | NBJ | CBA | CBI | 171.6° | 180.0° |
| CBF | NBJ | CBA | CAZ | 177.6° | 180.0° |
| CBF | NBJ | CBI | CBB | 173.1° | 180.0° |
| CBF | NBJ | CBI | CBE | 71.3° | 60.9° |
| CBF | NBJ | CBI | H5 | 52.2° | 60.8° |
| NBJ | CBF | CAU | H6 | 3.6° | 0.0° |
| NBJ | CBF | CAR | H10 | 2.9° | 0.2° |
| OAC | CBA | NBJ | CAZ | 167.4° | 180.0° |
| OAC | CBA | NBJ | CBI | 173.3° | 180.0° |
| OAC | CBA | CAZ | CBB | 175.7° | 180.0° |
| OAC | CBA | CAZ | OAE | 11.3° | 0.0° |
| CBA | NBJ | CBI | CBB | 1.4° | 0.0° |
| CBA | NBJ | CBI | CBE | 117.0° | 119.1° |
| NBJ | CBA | CAZ | CBB | 8.3° | 0.0° |
| NBJ | CBA | CAZ | OAE | 178.6° | 180.0° |
| CBA | NBJ | CBI | H5 | 119.5° | 119.2° |
| CBI | NBJ | CBA | CAZ | 6.0° | 0.0° |
| NBJ | CBI | CBB | CBE | 114.6° | 119.1° |
| NBJ | CBI | CBB | H5 | 120.8° | 119.2° |
| NBJ | CBI | CBE | H5 | 123.3° | 121.7° |
| NBJ | CBI | CBB | CAZ | 3.5° | 0.0° |
| NBJ | CBI | CBB | CAY | 174.7° | 180.0° |
| NBJ | CBI | CBE | CAW | 137.3° | 137.5° |
| NBJ | CBI | CBE | CAQ | 41.0° | 42.5° |
| CBA | CAZ | CBB | CBI | 7.1° | 0.0° |
| CBA | CAZ | CBB | OAE | 172.5° | 179.9° |
| CBA | CAZ | CBB | CAY | 170.9° | 180.0° |
| CBA | CAZ | OAE | H11 | 5.1° | 0.1° |
| CBB | CBI | CBE | H5 | 124.5° | 121.7° |
| CBI | CBB | CAZ | CAY | 178.0° | 180.0° |
| CBI | CBB | CAZ | OAE | 179.6° | 180.0° |
| CBB | CBI | CBE | CAW | 110.4° | 105.8° |
| CBB | CBI | CBE | CAQ | 71.3° | 74.1° |
| CBI | CBB | CAY | OAB | 5.8° | 114.1° |
| CBI | CBB | CAY | CBD | 158.9° | 66.0° |
| CBE | CBI | CBB | CAZ | 111.1° | 119.1° |
| CBE | CBI | CBB | CAY | 70.7° | 60.9° |
| CBI | CBE | CAW | CAQ | 178.3° | 179.9° |
| CBI | CBE | CAW | CBH | 177.3° | 180.0° |
| CBI | CBE | CAQ | CAN | 179.4° | 179.8° |
| CBI | CBE | CAW | H1 | 2.7° | 0.0° |
| CBI | CBE | CAQ | H4 | 0.6° | 0.0° |
| CAZ | CBB | CAY | OAB | 172.0° | 65.9° |
| CAZ | CBB | CAY | CBD | 23.3° | 114.0° |
| CAZ | CBB | CBI | H5 | 124.3° | 119.2° |
| CBB | CAZ | OAE | H11 | 176.5° | 180.0° |
| OAE | CAZ | CBB | CAY | 1.6° | 0.0° |
| CBB | CAY | OAB | CBD | 165.3° | 179.9° |
| CBB | CAY | CBD | CAV | 150.5° | 176.5° |
| CBB | CAY | CBD | CAP | 45.6° | 3.8° |
| CAY | CBB | CBI | H5 | 53.9° | 60.8° |
| CBE | CAW | CBH | H1 | 180.0° | 180.0° |
| CAW | CBE | CAQ | CAN | 1.1° | 0.2° |
| CBE | CAW | CBH | CBL | 174.7° | 180.0° |
| CBE | CAW | CBH | CAT | 3.0° | 0.3° |
| CAW | CBE | CAQ | H4 | 178.9° | 179.9° |
| CAW | CBE | CBI | H5 | 14.0° | 15.9° |
| CAQ | CBE | CAW | CBH | 4.4° | 0.1° |
| CBE | CAQ | CAN | H4 | 180.0° | 179.8° |
| CBE | CAQ | CAN | CAT | 3.5° | 0.2° |
| CAQ | CBE | CAW | H1 | 175.6° | 180.0° |
| CBE | CAQ | CAN | H3 | 176.5° | 179.8° |
| CAQ | CBE | CBI | H5 | 164.3° | 164.2° |
| OAB | CAY | CBD | CAV | 44.7° | 3.6° |
| OAB | CAY | CBD | CAP | 119.3° | 176.1° |
| CAW | CBH | CBL | FAI | 19.9° | 175.0° |
| CAW | CBH | CBL | FAJ | 100.3° | 55.0° |
| CAW | CBH | CBL | CAT | 177.7° | 179.7° |
| CAW | CBH | CBL | FAK | 138.1° | 65.0° |
| CAW | CBH | CAT | CAN | 1.6° | 0.3° |
| CAW | CBH | CAT | H2 | 178.4° | 179.8° |
| CAY | CBD | CAV | CAP | 164.1° | 179.7° |
| CAY | CBD | CAV | CBG | 173.5° | 180.0° |
| CAY | CBD | CAP | CAM | 174.6° | 179.7° |
| CAY | CBD | CAV | H12 | 6.5° | 0.0° |
| CAY | CBD | CAP | H15 | 5.4° | 0.0° |
| FAI | CBL | FAJ | CBH | 120.6° | 120.0° |
| FAI | CBL | FAJ | FAK | 119.3° | 120.0° |
| FAI | CBL | CBH | FAK | 118.2° | 120.0° |
| FAI | CBL | CBH | CAT | 157.8° | 5.3° |
| CAQ | CAN | CAT | CBH | 4.9° | 0.0° |
| CAQ | CAN | CAT | H3 | 180.0° | 180.0° |
| CAQ | CAN | CAT | H2 | 175.1° | 180.0° |
| FAJ | CBL | CBH | FAK | 121.6° | 120.0° |
| FAJ | CBL | CBH | CAT | 82.0° | 125.3° |
| CBD | CAV | CBG | H12 | 180.0° | 179.9° |
| CAV | CBD | CAP | CAM | 10.5° | 0.6° |
| CBD | CAV | CBG | CBK | 174.7° | 180.0° |
| CBD | CAV | CBG | CAS | 2.8° | 0.0° |
| CAV | CBD | CAP | H15 | 169.5° | 179.7° |
| CAP | CBD | CAV | CBG | 9.4° | 0.3° |
| CBD | CAP | CAM | H15 | 180.0° | 179.7° |
| CBD | CAP | CAM | CAS | 5.3° | 0.6° |
| CAP | CBD | CAV | H12 | 170.6° | 179.8° |
| CBD | CAP | CAM | H14 | 174.7° | 179.7° |
| CBL | CBH | CAT | CAN | 179.3° | 180.0° |
| CBL | CBH | CAW | H1 | 5.3° | 0.0° |
| CBL | CBH | CAT | H2 | 0.7° | 0.1° |
| CAT | CBH | CBL | FAK | 39.6° | 114.7° |
| CBH | CAT | CAN | H2 | 180.0° | 180.0° |
| CAT | CBH | CAW | H1 | 177.0° | 179.7° |
| CBH | CAT | CAN | H3 | 175.1° | 180.0° |
| CAV | CBG | CBK | FAF | 91.4° | 150.0° |
| CAV | CBG | CBK | FAG | 29.2° | 30.0° |
| CAV | CBG | CBK | CAS | 177.4° | 180.0° |
| CAV | CBG | CBK | FAH | 148.7° | 90.0° |
| CAV | CBG | CAS | CAM | 2.7° | 0.1° |
| CAV | CBG | CAS | H13 | 177.3° | 180.0° |
| FAF | CBK | FAG | CBG | 120.8° | 120.0° |
| FAF | CBK | FAG | FAH | 117.7° | 120.0° |
| FAF | CBK | CBG | FAH | 119.8° | 120.0° |
| FAF | CBK | CBG | CAS | 86.0° | 30.0° |
| CAT | CAN | CAQ | H4 | 176.5° | 180.0° |
| FAG | CBK | CBG | FAH | 119.6° | 120.0° |
| FAG | CBK | CBG | CAS | 153.4° | 150.0° |
| CAP | CAM | CAS | CBG | 1.4° | 0.3° |
| CAP | CAM | CAS | H14 | 180.0° | 179.7° |
| CAP | CAM | CAS | H13 | 178.7° | 179.8° |
| CBK | CBG | CAS | CAM | 179.8° | 179.9° |
| CBK | CBG | CAV | H12 | 5.3° | 0.0° |
| CBK | CBG | CAS | H13 | 0.1° | 0.0° |
| CAS | CBG | CBK | FAH | 33.9° | 90.0° |
| CBG | CAS | CAM | H13 | 180.0° | 179.9° |
| CAS | CBG | CAV | H12 | 177.2° | 180.0° |
| CBG | CAS | CAM | H14 | 178.7° | 179.9° |
| CAS | CAM | CAP | H15 | 174.7° | 179.7° |
| H2 | CAT | CAN | H3 | 4.9° | 0.0° |
| H3 | CAN | CAQ | H4 | 3.5° | 0.0° |
| H8 | CAO | CAL | H9 | 0.4° | 0.0° |
| H9 | CAL | CAR | H10 | 0.3° | 0.2° |
| H13 | CAS | CAM | H14 | 1.3° | 0.0° |
| H14 | CAM | CAP | H15 | 5.4° | 0.1° |
