LCE
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAA | OAK | sing | 1.43Å | 1.44Å | |
| CAA | HAA | sing | 1.09Å | 1.10Å | |
| CAA | HAAA | sing | 1.09Å | 1.10Å | |
| CAA | HAAB | sing | 1.09Å | 1.10Å | |
| OAD | CAN | sing | 1.34Å | 1.43Å | |
| OAE | CAN | doub | 1.21Å | 1.21Å | |
| OAF | CAU | doub | 1.21Å | 1.45Å | |
| CLAG | CAT | sing | 1.80Å | 1.74Å | |
| CLAH | CAT | sing | 1.80Å | 1.81Å | |
| OAK | CAP | sing | 1.43Å | 1.45Å | |
| SAM | CAP | sing | 1.84Å | 1.80Å | |
| SAM | CAQ | sing | 1.84Å | 1.85Å | |
| CAN | CAR | sing | 1.51Å | 1.48Å | |
| CAP | CAR | sing | 1.54Å | 1.52Å | |
| CAP | HAP | sing | 1.09Å | 1.10Å | |
| CAQ | CAS | sing | 1.55Å | 1.55Å | |
| CAQ | CAT | sing | 1.54Å | 1.53Å | |
| CAQ | HAQ | sing | 1.09Å | 1.10Å | |
| CAR | CAS | sing | 1.52Å | 1.53Å | |
| CAR | HAR | sing | 1.09Å | 1.10Å | |
| CAS | CAU | sing | 1.52Å | 1.56Å | |
| CAS | HAS | sing | 1.09Å | 1.10Å | |
| CAT | CAU | sing | 1.51Å | 1.51Å | |
| OAD | H8 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OAK | CAA | HAA | 109.5° | 109.5° |
| OAK | CAA | HAAA | 109.5° | 109.5° |
| OAK | CAA | HAAB | 109.5° | 109.5° |
| CAA | OAK | CAP | 109.0° | 114.0° |
| HAA | CAA | HAAA | 109.4° | 109.5° |
| HAA | CAA | HAAB | 109.4° | 109.4° |
| HAAA | CAA | HAAB | 109.5° | 109.4° |
| OAD | CAN | OAE | 126.8° | 120.0° |
| OAD | CAN | CAR | 118.5° | 120.0° |
| CAN | OAD | H8 | 109.5° | 117.1° |
| OAE | CAN | CAR | 114.7° | 120.0° |
| OAF | CAU | CAS | 119.5° | 135.5° |
| OAF | CAU | CAT | 104.2° | 135.4° |
| CLAG | CAT | CLAH | 111.3° | 112.8° |
| CLAG | CAT | CAQ | 121.0° | 113.6° |
| CLAG | CAT | CAU | 107.5° | 113.6° |
| CLAH | CAT | CAQ | 104.4° | 113.6° |
| CLAH | CAT | CAU | 118.7° | 113.7° |
| OAK | CAP | SAM | 115.9° | 110.8° |
| OAK | CAP | CAR | 104.7° | 110.8° |
| OAK | CAP | HAP | 105.7° | 110.7° |
| CAP | SAM | CAQ | 98.2° | 94.9° |
| SAM | CAP | CAR | 99.1° | 102.6° |
| SAM | CAP | HAP | 110.7° | 110.8° |
| SAM | CAQ | CAS | 102.7° | 102.6° |
| SAM | CAQ | CAT | 111.2° | 113.0° |
| SAM | CAQ | HAQ | 107.3° | 115.6° |
| CAN | CAR | CAP | 103.0° | 108.8° |
| CAN | CAR | CAS | 105.8° | 108.8° |
| CAN | CAR | HAR | 115.8° | 108.8° |
| CAR | CAP | HAP | 121.0° | 110.9° |
| CAP | CAR | CAS | 109.7° | 112.6° |
| CAP | CAR | HAR | 112.3° | 108.9° |
| CAS | CAQ | CAT | 85.9° | 87.1° |
| CAS | CAQ | HAQ | 127.2° | 117.4° |
| CAQ | CAS | CAR | 110.0° | 112.4° |
| CAQ | CAS | CAU | 90.9° | 86.8° |
| CAQ | CAS | HAS | 120.5° | 114.4° |
| CAT | CAQ | HAQ | 120.3° | 117.1° |
| CAQ | CAT | CAU | 93.6° | 87.3° |
| CAS | CAR | HAR | 109.7° | 108.8° |
| CAR | CAS | CAU | 110.2° | 113.6° |
| CAR | CAS | HAS | 104.4° | 113.4° |
| CAU | CAS | HAS | 120.4° | 113.7° |
| CAS | CAU | CAT | 86.1° | 89.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OAK | CAA | HAA | HAAA | 120.0° | 120.0° |
| OAK | CAA | HAA | HAAB | 120.0° | 120.0° |
| OAK | CAA | HAAA | HAAB | 120.0° | 120.0° |
| CAA | OAK | CAP | SAM | 117.3° | 61.4° |
| CAA | OAK | CAP | CAR | 134.7° | 174.6° |
| CAA | OAK | CAP | HAP | 5.8° | 61.9° |
| HAA | CAA | HAAA | HAAB | 119.9° | 120.0° |
| HAA | CAA | OAK | CAP | 180.0° | 180.0° |
| HAAA | CAA | OAK | CAP | 60.0° | 60.0° |
| HAAB | CAA | OAK | CAP | 60.0° | 60.0° |
| OAD | CAN | OAE | CAR | 179.7° | 179.9° |
| OAD | CAN | CAR | CAP | 122.4° | 61.5° |
| OAD | CAN | CAR | CAS | 122.4° | 175.4° |
| OAD | CAN | CAR | HAR | 0.6° | 57.0° |
| OAE | CAN | CAR | CAP | 57.9° | 118.6° |
| OAE | CAN | CAR | CAS | 57.3° | 4.5° |
| OAE | CAN | CAR | HAR | 179.1° | 122.9° |
| OAE | CAN | OAD | H8 | 0.0° | 0.1° |
| OAF | CAU | CAT | CLAG | 102.3° | 89.0° |
| OAF | CAU | CAT | CLAH | 25.0° | 41.8° |
| OAF | CAU | CAS | CAQ | 118.1° | 156.6° |
| OAF | CAU | CAT | CAQ | 133.6° | 156.4° |
| OAF | CAU | CAS | CAR | 6.3° | 43.5° |
| OAF | CAU | CAS | CAT | 104.1° | 180.0° |
| OAF | CAU | CAS | HAS | 115.2° | 88.2° |
| CLAG | CAT | CLAH | CAQ | 132.1° | 131.1° |
| CLAG | CAT | CLAH | CAU | 125.5° | 131.2° |
| CLAG | CAT | CAQ | SAM | 130.8° | 166.0° |
| CLAG | CAT | CAQ | CAS | 127.2° | 91.5° |
| CLAG | CAT | CAQ | CAU | 112.9° | 114.6° |
| CLAG | CAT | CAQ | HAQ | 4.2° | 27.9° |
| CLAG | CAT | CAU | CAS | 138.3° | 91.0° |
| CLAH | CAT | CAQ | SAM | 4.5° | 35.3° |
| CLAH | CAT | CAQ | CAS | 106.5° | 137.8° |
| CLAH | CAT | CAQ | CAU | 120.8° | 114.7° |
| CLAH | CAT | CAQ | HAQ | 122.1° | 102.8° |
| CLAH | CAT | CAU | CAS | 94.4° | 138.2° |
| OAK | CAP | SAM | CAR | 111.4° | 118.3° |
| OAK | CAP | SAM | HAP | 120.4° | 123.2° |
| OAK | CAP | SAM | CAQ | 77.5° | 83.7° |
| OAK | CAP | CAR | CAN | 38.8° | 27.2° |
| OAK | CAP | CAR | HAP | 119.0° | 123.4° |
| OAK | CAP | CAR | CAS | 73.6° | 93.6° |
| OAK | CAP | CAR | HAR | 164.1° | 145.7° |
| SAM | CAP | CAR | CAN | 158.8° | 145.5° |
| SAM | CAP | CAR | HAP | 121.0° | 118.4° |
| CAP | SAM | CAQ | CAS | 13.1° | 34.4° |
| CAP | SAM | CAQ | CAT | 103.6° | 126.7° |
| CAP | SAM | CAQ | HAQ | 123.0° | 94.5° |
| SAM | CAP | CAR | CAS | 46.4° | 24.7° |
| SAM | CAP | CAR | HAR | 75.9° | 96.0° |
| CAQ | SAM | CAP | CAR | 33.9° | 34.6° |
| CAQ | SAM | CAP | HAP | 162.1° | 153.1° |
| SAM | CAQ | CAS | CAT | 110.8° | 113.0° |
| SAM | CAQ | CAS | HAQ | 123.7° | 127.9° |
| SAM | CAQ | CAT | HAQ | 126.6° | 138.1° |
| SAM | CAQ | CAS | CAR | 12.7° | 24.3° |
| SAM | CAQ | CAS | CAU | 124.6° | 89.9° |
| SAM | CAQ | CAS | HAS | 108.7° | 155.5° |
| SAM | CAQ | CAT | CAU | 116.4° | 79.4° |
| CAN | CAR | CAP | CAS | 112.4° | 120.8° |
| CAN | CAR | CAP | HAR | 125.3° | 118.5° |
| CAN | CAR | CAP | HAP | 80.2° | 96.1° |
| CAN | CAR | CAS | CAQ | 151.2° | 121.0° |
| CAN | CAR | CAS | HAR | 125.6° | 118.4° |
| CAN | CAR | CAS | CAU | 110.1° | 142.4° |
| CAN | CAR | CAS | HAS | 20.5° | 10.6° |
| CAR | CAN | OAD | H8 | 179.7° | 180.0° |
| CAP | CAR | CAS | CAQ | 40.6° | 0.3° |
| CAP | CAR | CAS | HAR | 123.8° | 120.8° |
| CAP | CAR | CAS | CAU | 139.4° | 96.8° |
| CAP | CAR | CAS | HAS | 90.0° | 131.4° |
| HAP | CAP | CAR | CAS | 167.4° | 143.1° |
| HAP | CAP | CAR | HAR | 45.1° | 22.3° |
| CAS | CAQ | CAT | HAQ | 131.3° | 119.4° |
| CAQ | CAS | CAR | CAU | 98.8° | 96.5° |
| CAQ | CAS | CAR | HAS | 130.7° | 131.6° |
| CAQ | CAS | CAR | HAR | 83.2° | 120.5° |
| CAQ | CAS | CAU | HAS | 126.8° | 115.2° |
| CAS | CAQ | CAT | CAU | 14.3° | 23.1° |
| CAT | CAQ | CAS | CAR | 98.1° | 137.3° |
| CAT | CAQ | CAS | HAS | 140.5° | 91.6° |
| HAQ | CAQ | CAS | CAR | 136.4° | 103.5° |
| HAQ | CAQ | CAS | CAU | 111.7° | 142.2° |
| HAQ | CAQ | CAS | HAS | 15.0° | 27.6° |
| HAQ | CAQ | CAT | CAU | 117.1° | 142.5° |
| CAR | CAS | CAU | HAS | 121.5° | 131.7° |
| CAR | CAS | CAU | CAT | 97.8° | 136.5° |
| HAR | CAR | CAS | CAU | 15.6° | 24.0° |
| HAR | CAR | CAS | HAS | 146.2° | 107.8° |
| HAS | CAS | CAU | CAT | 140.7° | 91.9° |
