LL4
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAU | CAV | sing | 1.53Å | 1.52Å | |
| CAV | HAV | sing | 1.09Å | 1.10Å | |
| CAV | HAVA | sing | 1.09Å | 1.10Å | |
| CAV | HAVB | sing | 1.09Å | 1.10Å | |
| CAW | CAU | sing | 1.53Å | 1.50Å | |
| CAU | CAT | sing | 1.53Å | 1.51Å | |
| CAU | HAU | sing | 1.09Å | 1.10Å | |
| CAW | HAW | sing | 1.09Å | 1.10Å | |
| CAW | HAWA | sing | 1.09Å | 1.10Å | |
| CAW | HAWB | sing | 1.09Å | 1.10Å | |
| CAS | CAT | sing | 1.53Å | 1.39Å | |
| CAT | HAT | sing | 1.09Å | 1.10Å | |
| CAT | HATA | sing | 1.09Å | 1.10Å | |
| CAQ | CAS | sing | 1.51Å | 1.51Å | |
| CAS | HAS | sing | 1.09Å | 1.10Å | |
| CAS | HASA | sing | 1.09Å | 1.10Å | |
| OAR | CAQ | doub | 1.21Å | 1.23Å | |
| CAQ | NAN | sing | 1.35Å | 1.34Å | |
| CAM | NAN | sing | 1.47Å | 1.47Å | |
| NAN | CAO | sing | 1.47Å | 1.53Å | |
| CAO | CAP | sing | 1.53Å | 1.50Å | |
| CAO | HAO | sing | 1.09Å | 1.10Å | |
| CAO | HAOA | sing | 1.09Å | 1.10Å | |
| CAK | CAP | sing | 1.53Å | 1.49Å | |
| CAP | HAP | sing | 1.09Å | 1.10Å | |
| CAP | HAPA | sing | 1.09Å | 1.10Å | |
| CAM | CAL | sing | 1.53Å | 1.52Å | |
| CAM | HAM | sing | 1.09Å | 1.10Å | |
| CAM | HAMA | sing | 1.09Å | 1.10Å | |
| CAL | CAK | sing | 1.53Å | 1.53Å | |
| CAL | HAL | sing | 1.09Å | 1.10Å | |
| CAL | HALA | sing | 1.09Å | 1.10Å | |
| CAK | CAH | sing | 1.51Å | 1.50Å | |
| CAK | HAK | sing | 1.09Å | 1.10Å | |
| NAG | CAH | doub | 1.31Å | 1.33Å | Aromatic |
| CAH | OAI | sing | 1.34Å | 1.35Å | Aromatic |
| NAG | CAF | sing | 1.35Å | 1.34Å | Aromatic |
| OAI | NAJ | sing | 1.21Å | 1.48Å | Aromatic |
| CAF | NAJ | doub | 1.31Å | 1.34Å | Aromatic |
| CAE | CAF | sing | 1.48Å | 1.39Å | Aromatic |
| SAA | CAE | sing | 1.76Å | 1.69Å | Aromatic |
| CAE | CAD | doub | 1.35Å | 1.37Å | Aromatic |
| CAC | CAD | sing | 1.38Å | 1.36Å | Aromatic |
| CAD | HAD | sing | 1.08Å | 1.08Å | |
| CAB | CAC | doub | 1.34Å | 1.35Å | Aromatic |
| CAC | HAC | sing | 1.08Å | 1.08Å | |
| SAA | CAB | sing | 1.76Å | 1.73Å | Aromatic |
| CAB | HAB | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAU | CAV | HAV | 109.5° | 109.5° |
| CAU | CAV | HAVA | 109.5° | 109.5° |
| CAU | CAV | HAVB | 109.5° | 109.5° |
| CAV | CAU | CAW | 112.0° | 109.5° |
| CAV | CAU | CAT | 96.2° | 109.5° |
| CAV | CAU | HAU | 117.4° | 109.5° |
| HAV | CAV | HAVA | 109.4° | 109.4° |
| HAV | CAV | HAVB | 109.4° | 109.5° |
| HAVA | CAV | HAVB | 109.5° | 109.5° |
| CAW | CAU | CAT | 112.5° | 109.4° |
| CAW | CAU | HAU | 102.4° | 109.5° |
| CAU | CAW | HAW | 109.5° | 109.5° |
| CAU | CAW | HAWA | 109.4° | 109.5° |
| CAU | CAW | HAWB | 109.5° | 109.5° |
| CAT | CAU | HAU | 116.9° | 109.5° |
| CAU | CAT | CAS | 112.6° | 109.5° |
| CAU | CAT | HAT | 108.4° | 109.5° |
| CAU | CAT | HATA | 108.4° | 109.5° |
| HAW | CAW | HAWA | 109.5° | 109.5° |
| HAW | CAW | HAWB | 109.5° | 109.4° |
| HAWA | CAW | HAWB | 109.5° | 109.4° |
| CAS | CAT | HAT | 108.4° | 109.5° |
| CAS | CAT | HATA | 108.5° | 109.4° |
| CAT | CAS | CAQ | 113.6° | 109.5° |
| CAT | CAS | HAS | 108.1° | 109.5° |
| CAT | CAS | HASA | 108.1° | 109.4° |
| HAT | CAT | HATA | 110.5° | 109.5° |
| CAQ | CAS | HAS | 108.1° | 109.5° |
| CAQ | CAS | HASA | 108.1° | 109.5° |
| CAS | CAQ | OAR | 117.4° | 120.1° |
| CAS | CAQ | NAN | 123.9° | 120.0° |
| HAS | CAS | HASA | 110.8° | 109.5° |
| OAR | CAQ | NAN | 117.2° | 120.0° |
| CAQ | NAN | CAM | 114.5° | 120.7° |
| CAQ | NAN | CAO | 122.9° | 120.6° |
| CAM | NAN | CAO | 121.2° | 118.7° |
| NAN | CAM | CAL | 116.3° | 108.8° |
| NAN | CAM | HAM | 107.2° | 109.7° |
| NAN | CAM | HAMA | 107.3° | 109.6° |
| NAN | CAO | CAP | 113.7° | 108.7° |
| NAN | CAO | HAO | 108.1° | 109.6° |
| NAN | CAO | HAOA | 108.1° | 109.6° |
| CAP | CAO | HAO | 108.1° | 109.6° |
| CAP | CAO | HAOA | 108.1° | 109.6° |
| CAO | CAP | CAK | 117.5° | 109.4° |
| CAO | CAP | HAP | 106.9° | 109.5° |
| CAO | CAP | HAPA | 106.9° | 109.5° |
| HAO | CAO | HAOA | 110.8° | 109.7° |
| CAK | CAP | HAP | 106.9° | 109.5° |
| CAK | CAP | HAPA | 106.9° | 109.5° |
| CAP | CAK | CAL | 124.3° | 109.7° |
| CAP | CAK | CAH | 113.0° | 109.6° |
| CAP | CAK | HAK | 96.5° | 109.2° |
| HAP | CAP | HAPA | 111.9° | 109.5° |
| CAL | CAM | HAM | 107.3° | 109.6° |
| CAL | CAM | HAMA | 107.2° | 109.6° |
| CAM | CAL | CAK | 112.0° | 109.3° |
| CAM | CAL | HAL | 108.6° | 109.5° |
| CAM | CAL | HALA | 108.6° | 109.5° |
| HAM | CAM | HAMA | 111.6° | 109.7° |
| CAK | CAL | HAL | 108.7° | 109.6° |
| CAK | CAL | HALA | 108.6° | 109.4° |
| CAL | CAK | CAH | 117.5° | 109.5° |
| CAL | CAK | HAK | 86.5° | 109.5° |
| HAL | CAL | HALA | 110.3° | 109.5° |
| CAH | CAK | HAK | 111.0° | 109.4° |
| CAK | CAH | NAG | 118.6° | 126.4° |
| CAK | CAH | OAI | 129.6° | 126.4° |
| NAG | CAH | OAI | 111.3° | 107.2° |
| CAH | NAG | CAF | 110.2° | 105.6° |
| CAH | OAI | NAJ | 102.4° | 110.1° |
| NAG | CAF | NAJ | 107.9° | 107.1° |
| NAG | CAF | CAE | 123.8° | 126.4° |
| OAI | NAJ | CAF | 108.3° | 110.0° |
| NAJ | CAF | CAE | 128.4° | 126.5° |
| CAF | CAE | SAA | 119.1° | 125.3° |
| CAF | CAE | CAD | 132.6° | 125.2° |
| SAA | CAE | CAD | 108.0° | 109.5° |
| CAE | SAA | CAB | 95.7° | 91.0° |
| CAE | CAD | CAC | 113.6° | 114.7° |
| CAE | CAD | HAD | 123.2° | 122.6° |
| CAC | CAD | HAD | 123.2° | 122.7° |
| CAD | CAC | CAB | 117.0° | 115.1° |
| CAD | CAC | HAC | 121.5° | 122.4° |
| CAB | CAC | HAC | 121.5° | 122.5° |
| CAC | CAB | SAA | 105.5° | 109.7° |
| CAC | CAB | HAB | 127.2° | 125.1° |
| SAA | CAB | HAB | 127.2° | 125.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAU | CAV | HAV | HAVA | 120.0° | 120.0° |
| CAU | CAV | HAV | HAVB | 120.0° | 120.0° |
| CAU | CAV | HAVA | HAVB | 120.0° | 120.0° |
| CAV | CAU | CAW | CAT | 107.0° | 120.0° |
| CAV | CAU | CAW | HAU | 126.7° | 120.0° |
| CAV | CAU | CAT | HAU | 125.0° | 120.0° |
| CAV | CAU | CAW | HAW | 180.0° | 60.0° |
| CAV | CAU | CAW | HAWA | 60.0° | 180.0° |
| CAV | CAU | CAW | HAWB | 60.0° | 60.0° |
| CAV | CAU | CAT | CAS | 162.1° | 65.0° |
| CAV | CAU | CAT | HAT | 78.0° | 175.0° |
| CAV | CAU | CAT | HATA | 42.1° | 54.9° |
| HAV | CAV | HAVA | HAVB | 119.9° | 120.0° |
| HAV | CAV | CAU | CAW | 180.0° | 180.0° |
| HAV | CAV | CAU | CAT | 62.7° | 60.0° |
| HAV | CAV | CAU | HAU | 61.9° | 60.0° |
| HAVA | CAV | CAU | CAW | 60.0° | 60.0° |
| HAVA | CAV | CAU | CAT | 57.3° | 60.0° |
| HAVA | CAV | CAU | HAU | 178.1° | 180.0° |
| HAVB | CAV | CAU | CAW | 60.0° | 60.0° |
| HAVB | CAV | CAU | CAT | 177.3° | 180.0° |
| HAVB | CAV | CAU | HAU | 58.1° | 60.0° |
| CAW | CAU | CAT | HAU | 118.1° | 120.0° |
| CAU | CAW | HAW | HAWA | 120.0° | 120.0° |
| CAU | CAW | HAW | HAWB | 120.0° | 120.0° |
| CAU | CAW | HAWA | HAWB | 120.0° | 120.0° |
| CAW | CAU | CAT | CAS | 81.0° | 175.0° |
| CAW | CAU | CAT | HAT | 38.9° | 55.0° |
| CAW | CAU | CAT | HATA | 159.0° | 65.0° |
| CAT | CAU | CAW | HAW | 73.0° | 60.0° |
| CAT | CAU | CAW | HAWA | 167.0° | 60.0° |
| CAT | CAU | CAW | HAWB | 47.0° | 180.0° |
| CAU | CAT | CAS | HAT | 120.0° | 120.0° |
| CAU | CAT | CAS | HATA | 120.0° | 120.0° |
| CAU | CAT | HAT | HATA | 118.7° | 120.0° |
| CAU | CAT | CAS | CAQ | 168.3° | 180.0° |
| CAU | CAT | CAS | HAS | 71.7° | 60.0° |
| CAU | CAT | CAS | HASA | 48.3° | 60.0° |
| HAU | CAU | CAW | HAW | 53.3° | 180.0° |
| HAU | CAU | CAW | HAWA | 66.6° | 60.0° |
| HAU | CAU | CAW | HAWB | 173.3° | 60.0° |
| HAU | CAU | CAT | CAS | 37.1° | 55.0° |
| HAU | CAU | CAT | HAT | 157.0° | 65.0° |
| HAU | CAU | CAT | HATA | 82.9° | 175.0° |
| HAW | CAW | HAWA | HAWB | 120.0° | 119.9° |
| CAS | CAT | HAT | HATA | 118.8° | 119.9° |
| CAT | CAS | CAQ | HAS | 120.0° | 120.0° |
| CAT | CAS | CAQ | HASA | 120.0° | 120.0° |
| CAT | CAS | HAS | HASA | 118.3° | 120.0° |
| CAT | CAS | CAQ | OAR | 89.4° | 0.0° |
| CAT | CAS | CAQ | NAN | 105.2° | 180.0° |
| HAT | CAT | CAS | CAQ | 48.3° | 60.0° |
| HAT | CAT | CAS | HAS | 168.3° | 180.0° |
| HAT | CAT | CAS | HASA | 71.6° | 60.0° |
| HATA | CAT | CAS | CAQ | 71.7° | 60.0° |
| HATA | CAT | CAS | HAS | 48.3° | 60.0° |
| HATA | CAT | CAS | HASA | 168.3° | 180.0° |
| CAQ | CAS | HAS | HASA | 118.3° | 120.0° |
| CAS | CAQ | OAR | NAN | 166.4° | 180.0° |
| CAS | CAQ | NAN | CAM | 177.1° | 0.3° |
| CAS | CAQ | NAN | CAO | 16.6° | 180.0° |
| HAS | CAS | CAQ | OAR | 150.6° | 120.0° |
| HAS | CAS | CAQ | NAN | 14.8° | 60.0° |
| HASA | CAS | CAQ | OAR | 30.6° | 120.0° |
| HASA | CAS | CAQ | NAN | 134.9° | 60.0° |
| OAR | CAQ | NAN | CAM | 11.7° | 179.7° |
| OAR | CAQ | NAN | CAO | 177.9° | 0.0° |
| CAQ | NAN | CAM | CAO | 166.5° | 179.7° |
| CAQ | NAN | CAO | CAP | 171.3° | 126.4° |
| CAQ | NAN | CAO | HAO | 68.7° | 6.6° |
| CAQ | NAN | CAO | HAOA | 51.3° | 113.8° |
| CAQ | NAN | CAM | CAL | 149.2° | 126.4° |
| CAQ | NAN | CAM | HAM | 29.2° | 113.8° |
| CAQ | NAN | CAM | HAMA | 90.8° | 6.6° |
| CAM | NAN | CAO | CAP | 23.4° | 53.9° |
| CAM | NAN | CAO | HAO | 96.6° | 173.7° |
| CAM | NAN | CAO | HAOA | 143.4° | 65.9° |
| NAN | CAM | CAL | HAM | 120.0° | 119.9° |
| NAN | CAM | CAL | HAMA | 120.0° | 119.7° |
| NAN | CAM | HAM | HAMA | 117.2° | 120.4° |
| NAN | CAM | CAL | CAK | 27.4° | 54.6° |
| NAN | CAM | CAL | HAL | 92.7° | 174.6° |
| NAN | CAM | CAL | HALA | 147.4° | 65.3° |
| NAN | CAO | CAP | HAO | 120.0° | 119.8° |
| NAN | CAO | CAP | HAOA | 120.0° | 119.8° |
| NAN | CAO | HAO | HAOA | 118.2° | 120.4° |
| NAN | CAO | CAP | CAK | 11.0° | 54.6° |
| NAN | CAO | CAP | HAP | 109.0° | 65.4° |
| NAN | CAO | CAP | HAPA | 131.0° | 174.6° |
| CAO | NAN | CAM | CAL | 44.3° | 53.9° |
| CAO | NAN | CAM | HAM | 164.3° | 65.9° |
| CAO | NAN | CAM | HAMA | 75.7° | 173.7° |
| CAP | CAO | HAO | HAOA | 118.3° | 120.4° |
| CAO | CAP | CAK | HAP | 120.0° | 120.0° |
| CAO | CAP | CAK | HAPA | 120.0° | 120.0° |
| CAO | CAP | HAP | HAPA | 116.7° | 120.0° |
| CAO | CAP | CAK | CAL | 26.4° | 61.1° |
| CAO | CAP | CAK | CAH | 179.9° | 178.7° |
| CAO | CAP | CAK | HAK | 63.8° | 58.8° |
| HAO | CAO | CAP | CAK | 131.0° | 174.5° |
| HAO | CAO | CAP | HAP | 11.0° | 54.5° |
| HAO | CAO | CAP | HAPA | 109.0° | 65.5° |
| HAOA | CAO | CAP | CAK | 109.0° | 65.1° |
| HAOA | CAO | CAP | HAP | 131.0° | 174.9° |
| HAOA | CAO | CAP | HAPA | 11.0° | 54.9° |
| CAK | CAP | HAP | HAPA | 116.7° | 120.1° |
| CAP | CAK | CAL | CAM | 6.5° | 61.1° |
| CAP | CAK | CAL | CAH | 152.6° | 120.3° |
| CAP | CAK | CAL | HAK | 95.5° | 119.8° |
| CAP | CAK | CAL | HAL | 126.5° | 178.9° |
| CAP | CAK | CAL | HALA | 113.5° | 58.8° |
| CAP | CAK | CAH | HAK | 107.1° | 119.7° |
| CAP | CAK | CAH | NAG | 150.8° | 119.9° |
| CAP | CAK | CAH | OAI | 19.8° | 60.3° |
| HAP | CAP | CAK | CAL | 93.7° | 58.9° |
| HAP | CAP | CAK | CAH | 60.0° | 61.3° |
| HAP | CAP | CAK | HAK | 176.2° | 178.8° |
| HAPA | CAP | CAK | CAL | 146.4° | 178.9° |
| HAPA | CAP | CAK | CAH | 59.9° | 58.7° |
| HAPA | CAP | CAK | HAK | 56.2° | 61.2° |
| CAL | CAM | HAM | HAMA | 117.2° | 120.3° |
| CAM | CAL | CAK | HAL | 120.0° | 120.0° |
| CAM | CAL | CAK | HALA | 120.0° | 119.9° |
| CAM | CAL | HAL | HALA | 119.0° | 120.1° |
| CAM | CAL | CAK | CAH | 159.1° | 178.6° |
| CAM | CAL | CAK | HAK | 89.0° | 58.7° |
| HAM | CAM | CAL | CAK | 147.4° | 65.3° |
| HAM | CAM | CAL | HAL | 27.3° | 54.8° |
| HAM | CAM | CAL | HALA | 92.6° | 174.9° |
| HAMA | CAM | CAL | CAK | 92.6° | 174.3° |
| HAMA | CAM | CAL | HAL | 147.3° | 65.7° |
| HAMA | CAM | CAL | HALA | 27.4° | 54.4° |
| CAK | CAL | HAL | HALA | 119.0° | 120.1° |
| CAL | CAK | CAH | HAK | 97.2° | 120.0° |
| CAL | CAK | CAH | NAG | 53.6° | 119.7° |
| CAL | CAK | CAH | OAI | 135.8° | 60.0° |
| HAL | CAL | CAK | CAH | 80.9° | 58.6° |
| HAL | CAL | CAK | HAK | 31.0° | 61.3° |
| HALA | CAL | CAK | CAH | 39.1° | 61.5° |
| HALA | CAL | CAK | HAK | 151.0° | 178.6° |
| CAK | CAH | NAG | OAI | 172.2° | 179.8° |
| CAK | CAH | NAG | CAF | 172.7° | 180.0° |
| CAK | CAH | OAI | NAJ | 171.9° | 180.0° |
| HAK | CAK | CAH | NAG | 43.6° | 0.2° |
| HAK | CAK | CAH | OAI | 126.9° | 180.0° |
| NAG | CAH | OAI | NAJ | 0.8° | 0.2° |
| CAH | NAG | CAF | NAJ | 0.2° | 0.1° |
| CAH | NAG | CAF | CAE | 178.1° | 180.0° |
| OAI | CAH | NAG | CAF | 0.5° | 0.2° |
| CAH | OAI | NAJ | CAF | 0.9° | 0.2° |
| NAG | CAF | NAJ | OAI | 0.6° | 0.0° |
| NAG | CAF | NAJ | CAE | 178.2° | 179.9° |
| NAG | CAF | CAE | SAA | 13.4° | 0.2° |
| NAG | CAF | CAE | CAD | 159.3° | 180.0° |
| OAI | NAJ | CAF | CAE | 177.6° | 179.9° |
| NAJ | CAF | CAE | SAA | 168.6° | 179.9° |
| NAJ | CAF | CAE | CAD | 18.6° | 0.1° |
| CAF | CAE | SAA | CAD | 174.4° | 179.8° |
| CAF | CAE | CAD | CAC | 175.7° | 180.0° |
| CAF | CAE | CAD | HAD | 4.3° | 0.0° |
| CAF | CAE | SAA | CAB | 177.1° | 179.9° |
| SAA | CAE | CAD | CAC | 2.4° | 0.3° |
| SAA | CAE | CAD | HAD | 177.6° | 179.8° |
| CAE | SAA | CAB | CAC | 2.3° | 0.3° |
| CAE | SAA | CAB | HAB | 177.7° | 179.9° |
| CAE | CAD | CAC | HAD | 180.0° | 180.0° |
| CAE | CAD | CAC | CAB | 0.6° | 0.0° |
| CAE | CAD | CAC | HAC | 179.4° | 180.0° |
| CAD | CAE | SAA | CAB | 2.7° | 0.3° |
| CAD | CAC | CAB | HAC | 180.0° | 180.0° |
| CAD | CAC | CAB | SAA | 1.3° | 0.3° |
| CAD | CAC | CAB | HAB | 178.6° | 180.0° |
| HAD | CAD | CAC | CAB | 179.3° | 180.0° |
| HAD | CAD | CAC | HAC | 0.6° | 0.0° |
| CAC | CAB | SAA | HAB | 180.0° | 179.8° |
| HAC | CAC | CAB | SAA | 178.6° | 179.8° |
| HAC | CAC | CAB | HAB | 1.4° | 0.0° |
