LCD
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OAE | CAR | doub | 1.21Å | 1.26Å | |
| CAM | CAR | sing | 1.51Å | 1.51Å | |
| CAM | OAP | sing | 1.43Å | 1.39Å | |
| CAI | CAJ | doub | 1.37Å | 1.39Å | Aromatic |
| CAI | CAT | sing | 1.39Å | 1.40Å | Aromatic |
| CAR | OAC | sing | 1.34Å | 1.27Å | |
| CAJ | CAZ | sing | 1.40Å | 1.40Å | Aromatic |
| OAD | CAW | doub | 1.22Å | 1.23Å | |
| CAT | OAP | sing | 1.36Å | 1.33Å | |
| CAT | CAL | doub | 1.39Å | 1.39Å | Aromatic |
| CAZ | CAW | sing | 1.47Å | 1.38Å | |
| CAZ | CAY | doub | 1.40Å | 1.41Å | Aromatic |
| CAW | CAX | sing | 1.47Å | 1.41Å | |
| CAL | CAY | sing | 1.39Å | 1.39Å | Aromatic |
| CAY | OAQ | sing | 1.35Å | 1.39Å | |
| CAX | OAQ | sing | 1.35Å | 1.38Å | |
| CAX | CAF | doub | 1.36Å | 1.41Å | |
| CAF | CAS | sing | 1.47Å | 1.40Å | |
| CAS | CAK | doub | 1.40Å | 1.41Å | Aromatic |
| CAS | CAG | sing | 1.40Å | 1.40Å | Aromatic |
| CAK | CAV | sing | 1.38Å | 1.41Å | Aromatic |
| CAG | CAH | doub | 1.38Å | 1.41Å | Aromatic |
| CAV | OAO | sing | 1.36Å | 1.38Å | |
| CAV | CAU | doub | 1.39Å | 1.41Å | Aromatic |
| OAO | CAB | sing | 1.43Å | 1.45Å | |
| CAH | CAU | sing | 1.39Å | 1.41Å | Aromatic |
| CAU | OAN | sing | 1.36Å | 1.37Å | |
| OAN | CAA | sing | 1.43Å | 1.45Å | |
| CAB | H1 | sing | 1.09Å | 1.10Å | |
| CAB | H2 | sing | 1.09Å | 1.10Å | |
| CAB | H3 | sing | 1.09Å | 1.10Å | |
| CAK | H4 | sing | 1.08Å | 1.08Å | |
| CAA | H5 | sing | 1.09Å | 1.10Å | |
| CAA | H6 | sing | 1.09Å | 1.10Å | |
| CAA | H7 | sing | 1.09Å | 1.10Å | |
| CAH | H8 | sing | 1.08Å | 1.08Å | |
| CAG | H9 | sing | 1.08Å | 1.08Å | |
| CAF | H10 | sing | 1.08Å | 1.08Å | |
| CAL | H11 | sing | 1.08Å | 1.08Å | |
| CAJ | H12 | sing | 1.08Å | 1.08Å | |
| CAI | H13 | sing | 1.08Å | 1.08Å | |
| CAM | H14 | sing | 1.09Å | 1.10Å | |
| CAM | H15 | sing | 1.09Å | 1.10Å | |
| OAC | H16 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OAE | CAR | CAM | 115.5° | 120.0° |
| OAE | CAR | OAC | 127.3° | 120.0° |
| CAR | CAM | OAP | 99.6° | 109.5° |
| CAM | CAR | OAC | 117.2° | 120.0° |
| CAR | CAM | H14 | 111.9° | 109.4° |
| CAR | CAM | H15 | 111.9° | 109.5° |
| CAM | OAP | CAT | 106.3° | 117.0° |
| OAP | CAM | H14 | 111.9° | 109.4° |
| OAP | CAM | H15 | 111.9° | 109.5° |
| CAJ | CAI | CAT | 119.0° | 120.1° |
| CAI | CAJ | CAZ | 118.6° | 119.9° |
| CAI | CAJ | H12 | 120.7° | 120.0° |
| CAJ | CAI | H13 | 120.5° | 120.0° |
| CAI | CAT | OAP | 121.0° | 119.7° |
| CAI | CAT | CAL | 122.6° | 120.6° |
| CAT | CAI | H13 | 120.5° | 119.9° |
| CAR | OAC | H16 | 109.5° | 117.0° |
| CAJ | CAZ | CAW | 132.2° | 133.2° |
| CAJ | CAZ | CAY | 122.1° | 120.5° |
| CAZ | CAJ | H12 | 120.7° | 120.0° |
| OAD | CAW | CAZ | 122.7° | 127.7° |
| OAD | CAW | CAX | 128.3° | 127.7° |
| OAP | CAT | CAL | 116.4° | 119.7° |
| CAT | CAL | CAY | 119.0° | 120.0° |
| CAT | CAL | H11 | 120.5° | 120.0° |
| CAW | CAZ | CAY | 105.7° | 106.4° |
| CAZ | CAW | CAX | 109.0° | 104.5° |
| CAZ | CAY | CAL | 118.6° | 118.9° |
| CAZ | CAY | OAQ | 110.1° | 109.7° |
| CAW | CAX | OAQ | 108.3° | 107.5° |
| CAW | CAX | CAF | 125.4° | 126.2° |
| CAL | CAY | OAQ | 131.3° | 131.4° |
| CAY | CAL | H11 | 120.5° | 120.0° |
| CAY | OAQ | CAX | 107.0° | 111.8° |
| OAQ | CAX | CAF | 126.3° | 126.2° |
| CAX | CAF | CAS | 129.2° | 120.0° |
| CAX | CAF | H10 | 115.4° | 120.0° |
| CAF | CAS | CAK | 117.8° | 120.1° |
| CAF | CAS | CAG | 123.4° | 120.1° |
| CAS | CAF | H10 | 115.4° | 120.0° |
| CAK | CAS | CAG | 118.7° | 119.8° |
| CAS | CAK | CAV | 122.3° | 119.8° |
| CAS | CAK | H4 | 118.8° | 120.1° |
| CAS | CAG | CAH | 119.6° | 119.9° |
| CAS | CAG | H9 | 120.2° | 120.1° |
| CAK | CAV | OAO | 120.3° | 120.0° |
| CAK | CAV | CAU | 118.4° | 120.0° |
| CAV | CAK | H4 | 118.9° | 120.1° |
| CAG | CAH | CAU | 121.6° | 120.2° |
| CAG | CAH | H8 | 119.2° | 119.9° |
| CAH | CAG | H9 | 120.2° | 120.0° |
| OAO | CAV | CAU | 121.2° | 120.0° |
| CAV | OAO | CAB | 113.2° | 117.0° |
| CAV | CAU | CAH | 119.3° | 120.2° |
| CAV | CAU | OAN | 120.4° | 119.9° |
| OAO | CAB | H1 | 109.5° | 109.5° |
| OAO | CAB | H2 | 109.5° | 109.5° |
| OAO | CAB | H3 | 109.4° | 109.5° |
| CAH | CAU | OAN | 120.3° | 119.9° |
| CAU | CAH | H8 | 119.1° | 119.9° |
| CAU | OAN | CAA | 110.7° | 117.0° |
| OAN | CAA | H5 | 109.5° | 109.4° |
| OAN | CAA | H6 | 109.4° | 109.5° |
| OAN | CAA | H7 | 109.4° | 109.5° |
| H1 | CAB | H2 | 109.4° | 109.5° |
| H1 | CAB | H3 | 109.5° | 109.5° |
| H2 | CAB | H3 | 109.5° | 109.5° |
| H5 | CAA | H6 | 109.5° | 109.4° |
| H5 | CAA | H7 | 109.5° | 109.5° |
| H6 | CAA | H7 | 109.5° | 109.5° |
| H14 | CAM | H15 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OAE | CAR | CAM | OAC | 179.6° | 179.9° |
| OAE | CAR | CAM | OAP | 145.2° | 0.1° |
| OAE | CAR | CAM | H14 | 96.4° | 120.0° |
| OAE | CAR | CAM | H15 | 26.9° | 119.9° |
| OAE | CAR | OAC | H16 | 0.0° | 0.0° |
| CAR | CAM | OAP | H14 | 118.4° | 119.9° |
| CAR | CAM | OAP | H15 | 118.4° | 120.0° |
| CAR | CAM | OAP | CAT | 155.0° | 180.0° |
| CAR | CAM | H14 | H15 | 124.6° | 120.0° |
| CAM | CAR | OAC | H16 | 179.5° | 180.0° |
| CAM | OAP | CAT | CAI | 11.7° | 0.0° |
| OAP | CAM | CAR | OAC | 34.4° | 180.0° |
| CAM | OAP | CAT | CAL | 167.8° | 178.9° |
| OAP | CAM | H14 | H15 | 124.6° | 120.0° |
| CAJ | CAI | CAT | H13 | 180.0° | 179.2° |
| CAI | CAJ | CAZ | H12 | 180.0° | 180.0° |
| CAJ | CAI | CAT | OAP | 179.4° | 180.0° |
| CAJ | CAI | CAT | CAL | 0.2° | 1.1° |
| CAI | CAJ | CAZ | CAW | 179.9° | 179.9° |
| CAI | CAJ | CAZ | CAY | 0.6° | 0.3° |
| CAT | CAI | CAJ | CAZ | 0.4° | 0.8° |
| CAI | CAT | OAP | CAL | 179.6° | 179.0° |
| CAI | CAT | CAL | CAY | 0.1° | 0.9° |
| CAI | CAT | CAL | H11 | 179.9° | 179.1° |
| CAT | CAI | CAJ | H12 | 179.6° | 179.2° |
| OAC | CAR | CAM | H14 | 84.0° | 60.0° |
| OAC | CAR | CAM | H15 | 152.7° | 60.0° |
| CAJ | CAZ | CAW | OAD | 0.4° | 0.0° |
| CAJ | CAZ | CAW | CAY | 179.3° | 179.8° |
| CAJ | CAZ | CAW | CAX | 179.3° | 180.0° |
| CAJ | CAZ | CAY | CAL | 0.5° | 0.1° |
| CAJ | CAZ | CAY | OAQ | 179.2° | 179.8° |
| CAZ | CAJ | CAI | H13 | 179.6° | 180.0° |
| OAD | CAW | CAZ | CAX | 179.7° | 180.0° |
| OAD | CAW | CAZ | CAY | 179.8° | 179.8° |
| OAD | CAW | CAX | OAQ | 179.5° | 180.0° |
| OAD | CAW | CAX | CAF | 0.0° | 0.3° |
| OAP | CAT | CAL | CAY | 179.5° | 179.8° |
| OAP | CAT | CAL | H11 | 0.5° | 0.1° |
| OAP | CAT | CAI | H13 | 0.7° | 0.7° |
| CAT | OAP | CAM | H14 | 86.6° | 60.1° |
| CAT | OAP | CAM | H15 | 36.7° | 60.0° |
| CAT | CAL | CAY | CAZ | 0.2° | 0.4° |
| CAT | CAL | CAY | H11 | 180.0° | 180.0° |
| CAT | CAL | CAY | OAQ | 179.4° | 180.0° |
| CAL | CAT | CAI | H13 | 179.8° | 179.7° |
| CAW | CAZ | CAY | CAL | 179.9° | 179.9° |
| CAW | CAZ | CAY | OAQ | 0.2° | 0.4° |
| CAZ | CAW | CAX | OAQ | 0.2° | 0.0° |
| CAZ | CAW | CAX | CAF | 179.7° | 179.8° |
| CAW | CAZ | CAJ | H12 | 0.1° | 0.1° |
| CAY | CAZ | CAW | CAX | 0.0° | 0.2° |
| CAZ | CAY | CAL | OAQ | 179.7° | 179.6° |
| CAZ | CAY | OAQ | CAX | 0.3° | 0.4° |
| CAZ | CAY | CAL | H11 | 179.8° | 179.5° |
| CAY | CAZ | CAJ | H12 | 179.4° | 179.7° |
| CAW | CAX | OAQ | CAY | 0.3° | 0.3° |
| CAW | CAX | OAQ | CAF | 179.5° | 179.7° |
| CAW | CAX | CAF | CAS | 172.3° | 174.5° |
| CAW | CAX | CAF | H10 | 7.7° | 5.5° |
| CAL | CAY | OAQ | CAX | 180.0° | 180.0° |
| CAY | OAQ | CAX | CAF | 179.8° | 180.0° |
| OAQ | CAY | CAL | H11 | 0.6° | 0.0° |
| OAQ | CAX | CAF | CAS | 8.2° | 5.2° |
| OAQ | CAX | CAF | H10 | 171.8° | 174.8° |
| CAX | CAF | CAS | H10 | 180.0° | 180.0° |
| CAX | CAF | CAS | CAK | 171.0° | 173.8° |
| CAX | CAF | CAS | CAG | 8.8° | 6.2° |
| CAF | CAS | CAK | CAG | 179.7° | 179.9° |
| CAF | CAS | CAK | CAV | 179.8° | 180.0° |
| CAF | CAS | CAG | CAH | 180.0° | 179.7° |
| CAF | CAS | CAK | H4 | 0.2° | 0.0° |
| CAF | CAS | CAG | H9 | 0.0° | 0.1° |
| CAS | CAK | CAV | H4 | 180.0° | 180.0° |
| CAK | CAS | CAG | CAH | 0.3° | 0.3° |
| CAS | CAK | CAV | OAO | 179.1° | 180.0° |
| CAS | CAK | CAV | CAU | 0.1° | 0.2° |
| CAK | CAS | CAG | H9 | 179.8° | 180.0° |
| CAK | CAS | CAF | H10 | 9.1° | 6.1° |
| CAG | CAS | CAK | CAV | 0.4° | 0.1° |
| CAS | CAG | CAH | H9 | 180.0° | 179.7° |
| CAS | CAG | CAH | CAU | 0.4° | 0.3° |
| CAG | CAS | CAK | H4 | 179.5° | 180.0° |
| CAS | CAG | CAH | H8 | 179.6° | 179.7° |
| CAG | CAS | CAF | H10 | 171.2° | 173.8° |
| CAK | CAV | OAO | CAU | 179.0° | 179.8° |
| CAK | CAV | OAO | CAB | 103.5° | 0.2° |
| CAK | CAV | CAU | CAH | 0.7° | 0.3° |
| CAK | CAV | CAU | OAN | 178.8° | 179.7° |
| CAG | CAH | CAU | CAV | 0.9° | 0.0° |
| CAG | CAH | CAU | H8 | 180.0° | 180.0° |
| CAG | CAH | CAU | OAN | 178.6° | 180.0° |
| OAO | CAV | CAU | CAH | 179.7° | 179.9° |
| OAO | CAV | CAU | OAN | 0.3° | 0.0° |
| CAV | OAO | CAB | H1 | 180.0° | 180.0° |
| CAV | OAO | CAB | H2 | 60.0° | 60.0° |
| CAV | OAO | CAB | H3 | 60.0° | 60.1° |
| OAO | CAV | CAK | H4 | 0.9° | 0.1° |
| CAU | CAV | OAO | CAB | 77.5° | 180.0° |
| CAV | CAU | CAH | OAN | 179.5° | 180.0° |
| CAV | CAU | OAN | CAA | 82.5° | 180.0° |
| CAU | CAV | CAK | H4 | 180.0° | 179.7° |
| CAV | CAU | CAH | H8 | 179.1° | 180.0° |
| OAO | CAB | H1 | H2 | 120.0° | 120.0° |
| OAO | CAB | H1 | H3 | 120.0° | 120.0° |
| OAO | CAB | H2 | H3 | 120.0° | 120.0° |
| CAH | CAU | OAN | CAA | 97.0° | 0.0° |
| CAU | CAH | CAG | H9 | 179.6° | 179.9° |
| CAU | OAN | CAA | H5 | 180.0° | 60.0° |
| CAU | OAN | CAA | H6 | 60.0° | 60.0° |
| CAU | OAN | CAA | H7 | 60.0° | 180.0° |
| OAN | CAU | CAH | H8 | 1.4° | 0.0° |
| OAN | CAA | H5 | H6 | 120.0° | 120.0° |
| OAN | CAA | H5 | H7 | 120.0° | 120.0° |
| OAN | CAA | H6 | H7 | 120.0° | 120.1° |
| H1 | CAB | H2 | H3 | 120.0° | 120.0° |
| H5 | CAA | H6 | H7 | 120.0° | 120.0° |
| H8 | CAH | CAG | H9 | 0.4° | 0.0° |
| H12 | CAJ | CAI | H13 | 0.4° | 0.0° |
