DLU
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAA | CBA | sing | 1.53Å | 1.54Å | |
| CAA | HAA | sing | 1.09Å | 1.10Å | |
| CAA | HAAA | sing | 1.09Å | 1.10Å | |
| CAA | HAAB | sing | 1.09Å | 1.10Å | |
| OAB | CAR | doub | 1.22Å | 1.22Å | |
| OAE | H20 | sing | 0.97Å | 0.95Å | |
| CAH | CAT | sing | 1.39Å | 1.40Å | Aromatic |
| CAH | HAH | sing | 1.08Å | 1.08Å | |
| CAI | CAH | doub | 1.38Å | 1.41Å | Aromatic |
| CAI | CAV | sing | 1.38Å | 1.39Å | Aromatic |
| CAI | HAI | sing | 1.08Å | 1.08Å | |
| CAJ | HAJ | sing | 1.08Å | 1.08Å | |
| CAK | CAX | doub | 1.38Å | 1.37Å | |
| CAK | NBD | sing | 1.34Å | 1.39Å | |
| CAK | HAK | sing | 1.08Å | 1.08Å | |
| CAL | CAM | sing | 1.54Å | 1.55Å | |
| CAL | HAL | sing | 1.09Å | 1.10Å | |
| CAL | HALA | sing | 1.09Å | 1.10Å | |
| CAM | CBA | sing | 1.53Å | 1.54Å | |
| CAM | HAM | sing | 1.09Å | 1.10Å | |
| CAM | HAMA | sing | 1.09Å | 1.10Å | |
| CAN | CAV | sing | 1.51Å | 1.51Å | |
| CAN | NAP | sing | 1.47Å | 1.46Å | |
| CAN | HAN | sing | 1.09Å | 1.10Å | |
| CAN | HANA | sing | 1.09Å | 1.10Å | |
| CAO | NBD | sing | 1.48Å | 1.48Å | |
| CAO | CBB | sing | 1.53Å | 1.47Å | |
| CAO | HAO | sing | 1.09Å | 1.10Å | |
| CAO | HAOA | sing | 1.09Å | 1.10Å | |
| NAP | HNAP | sing | 0.97Å | 1.00Å | |
| OAQ | CAL | sing | 1.43Å | 1.45Å | |
| CAR | NAP | sing | 1.35Å | 1.33Å | |
| CAR | CAX | sing | 1.47Å | 1.52Å | |
| CAS | OAC | doub | 1.22Å | 1.24Å | |
| CAT | FAF | sing | 1.35Å | 1.34Å | |
| CAT | CAJ | doub | 1.38Å | 1.38Å | Aromatic |
| CAU | FAG | sing | 1.35Å | 1.35Å | |
| CAU | CAJ | sing | 1.38Å | 1.38Å | Aromatic |
| CAV | CAU | doub | 1.39Å | 1.41Å | Aromatic |
| CAW | OAE | sing | 1.36Å | 1.36Å | |
| CAX | CAZ | sing | 1.47Å | 1.39Å | |
| CAY | CAS | sing | 1.48Å | 1.41Å | |
| CAY | CAW | doub | 1.37Å | 1.41Å | |
| CAZ | OAD | doub | 1.22Å | 1.24Å | |
| CAZ | CAW | sing | 1.47Å | 1.41Å | |
| CBA | HBA | sing | 1.09Å | 1.10Å | |
| CBB | OAQ | sing | 1.40Å | 1.45Å | |
| CBB | NBC | sing | 1.45Å | 1.48Å | |
| CBB | HBB | sing | 1.09Å | 1.10Å | |
| NBC | CAS | sing | 1.36Å | 1.44Å | |
| NBC | CBA | sing | 1.46Å | 1.46Å | |
| NBD | CAY | sing | 1.38Å | 1.42Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CBA | CAA | HAA | 109.5° | 109.5° |
| CBA | CAA | HAAA | 109.5° | 109.4° |
| CBA | CAA | HAAB | 109.5° | 109.4° |
| CAA | CBA | CAM | 110.0° | 109.4° |
| CAA | CBA | HBA | 106.3° | 109.4° |
| CAA | CBA | NBC | 112.1° | 109.3° |
| HAA | CAA | HAAA | 109.5° | 109.5° |
| HAA | CAA | HAAB | 109.5° | 109.5° |
| HAAA | CAA | HAAB | 109.5° | 109.5° |
| OAB | CAR | NAP | 122.5° | 120.1° |
| OAB | CAR | CAX | 117.5° | 120.0° |
| H20 | OAE | CAW | 109.5° | 114.0° |
| CAT | CAH | HAH | 120.3° | 119.9° |
| CAT | CAH | CAI | 119.4° | 120.0° |
| CAH | CAT | FAF | 121.6° | 120.1° |
| CAH | CAT | CAJ | 121.7° | 119.9° |
| HAH | CAH | CAI | 120.3° | 120.0° |
| CAH | CAI | CAV | 119.4° | 120.1° |
| CAH | CAI | HAI | 120.3° | 120.0° |
| CAV | CAI | HAI | 120.3° | 120.0° |
| CAI | CAV | CAN | 117.4° | 120.0° |
| CAI | CAV | CAU | 119.6° | 120.0° |
| HAJ | CAJ | CAT | 120.7° | 120.0° |
| HAJ | CAJ | CAU | 120.7° | 120.0° |
| CAX | CAK | NBD | 121.0° | 121.6° |
| CAX | CAK | HAK | 119.5° | 119.2° |
| CAK | CAX | CAR | 116.3° | 120.7° |
| CAK | CAX | CAZ | 120.2° | 118.5° |
| NBD | CAK | HAK | 119.5° | 119.2° |
| CAK | NBD | CAO | 116.0° | 119.3° |
| CAK | NBD | CAY | 120.6° | 122.6° |
| CAM | CAL | HAL | 107.4° | 109.8° |
| CAM | CAL | HALA | 107.4° | 109.8° |
| CAL | CAM | CBA | 111.4° | 107.4° |
| CAL | CAM | HAM | 108.8° | 109.9° |
| CAL | CAM | HAMA | 108.8° | 109.9° |
| CAM | CAL | OAQ | 115.7° | 107.8° |
| HAL | CAL | HALA | 111.4° | 109.7° |
| HAL | CAL | OAQ | 107.4° | 109.8° |
| HALA | CAL | OAQ | 107.4° | 109.8° |
| CBA | CAM | HAM | 108.8° | 109.9° |
| CBA | CAM | HAMA | 108.8° | 109.9° |
| CAM | CBA | HBA | 112.2° | 109.4° |
| CAM | CBA | NBC | 106.2° | 110.1° |
| HAM | CAM | HAMA | 110.1° | 109.9° |
| CAV | CAN | NAP | 113.4° | 109.5° |
| CAV | CAN | HAN | 108.2° | 109.5° |
| CAV | CAN | HANA | 108.2° | 109.4° |
| CAN | CAV | CAU | 123.0° | 120.0° |
| NAP | CAN | HAN | 108.2° | 109.5° |
| NAP | CAN | HANA | 108.2° | 109.5° |
| CAN | NAP | HNAP | 121.8° | 120.0° |
| CAN | NAP | CAR | 116.4° | 120.0° |
| HAN | CAN | HANA | 110.7° | 109.5° |
| NBD | CAO | CBB | 113.4° | 107.4° |
| NBD | CAO | HAO | 108.2° | 109.9° |
| NBD | CAO | HAOA | 108.2° | 109.9° |
| CAO | NBD | CAY | 123.4° | 118.1° |
| CBB | CAO | HAO | 108.2° | 109.9° |
| CBB | CAO | HAOA | 108.2° | 109.9° |
| CAO | CBB | OAQ | 109.5° | 112.8° |
| CAO | CBB | NBC | 115.0° | 109.8° |
| CAO | CBB | HBB | 104.2° | 105.5° |
| HAO | CAO | HAOA | 110.7° | 109.9° |
| HNAP | NAP | CAR | 121.8° | 120.0° |
| CAL | OAQ | CBB | 105.5° | 117.3° |
| NAP | CAR | CAX | 119.8° | 120.0° |
| CAR | CAX | CAZ | 123.5° | 120.8° |
| OAC | CAS | CAY | 121.5° | 120.9° |
| OAC | CAS | NBC | 119.8° | 120.9° |
| FAF | CAT | CAJ | 116.7° | 120.0° |
| CAT | CAJ | CAU | 118.6° | 120.0° |
| FAG | CAU | CAJ | 117.8° | 120.0° |
| FAG | CAU | CAV | 120.8° | 120.0° |
| CAJ | CAU | CAV | 121.3° | 120.0° |
| OAE | CAW | CAY | 120.3° | 120.6° |
| OAE | CAW | CAZ | 118.7° | 120.7° |
| CAX | CAZ | OAD | 118.6° | 121.4° |
| CAX | CAZ | CAW | 119.6° | 117.4° |
| CAS | CAY | CAW | 123.3° | 119.4° |
| CAY | CAS | NBC | 118.1° | 118.2° |
| CAS | CAY | NBD | 118.9° | 119.5° |
| CAY | CAW | CAZ | 121.0° | 118.7° |
| CAW | CAY | NBD | 117.7° | 121.1° |
| OAD | CAZ | CAW | 121.8° | 121.3° |
| HBA | CBA | NBC | 110.1° | 109.3° |
| OAQ | CBB | NBC | 104.2° | 117.0° |
| OAQ | CBB | HBB | 114.9° | 105.8° |
| NBC | CBB | HBB | 109.4° | 104.9° |
| CBB | NBC | CAS | 123.1° | 117.6° |
| CBB | NBC | CBA | 112.7° | 123.9° |
| CAS | NBC | CBA | 124.2° | 118.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CBA | CAA | HAA | HAAA | 120.0° | 120.0° |
| CBA | CAA | HAA | HAAB | 120.0° | 119.9° |
| CBA | CAA | HAAA | HAAB | 120.0° | 119.9° |
| CAA | CBA | CAM | CAL | 79.1° | 168.3° |
| CAA | CBA | CAM | HBA | 118.1° | 119.8° |
| CAA | CBA | CAM | NBC | 121.5° | 120.1° |
| CAA | CBA | CAM | HAM | 160.9° | 72.2° |
| CAA | CBA | CAM | HAMA | 40.9° | 48.8° |
| CAA | CBA | HBA | NBC | 121.6° | 119.6° |
| CAA | CBA | NBC | CBB | 59.9° | 135.2° |
| CAA | CBA | NBC | CAS | 121.6° | 47.4° |
| HAA | CAA | HAAA | HAAB | 120.0° | 120.0° |
| HAA | CAA | CBA | CAM | 180.0° | 70.7° |
| HAA | CAA | CBA | HBA | 58.3° | 169.5° |
| HAA | CAA | CBA | NBC | 62.1° | 49.9° |
| HAAA | CAA | CBA | CAM | 60.0° | 169.3° |
| HAAA | CAA | CBA | HBA | 61.7° | 49.5° |
| HAAA | CAA | CBA | NBC | 178.0° | 70.1° |
| HAAB | CAA | CBA | CAM | 60.0° | 49.3° |
| HAAB | CAA | CBA | HBA | 178.3° | 70.5° |
| HAAB | CAA | CBA | NBC | 58.0° | 169.9° |
| OAB | CAR | CAX | CAK | 9.8° | 5.9° |
| OAB | CAR | NAP | CAN | 3.8° | 5.2° |
| OAB | CAR | NAP | HNAP | 176.2° | 174.8° |
| OAB | CAR | NAP | CAX | 175.8° | 180.0° |
| OAB | CAR | CAX | CAZ | 170.2° | 174.1° |
| H20 | OAE | CAW | CAY | 0.1° | 180.0° |
| H20 | OAE | CAW | CAZ | 179.2° | 0.0° |
| CAT | CAH | HAH | CAI | 180.0° | 179.9° |
| CAT | CAH | CAI | CAV | 1.3° | 0.1° |
| CAT | CAH | CAI | HAI | 178.8° | 180.0° |
| CAH | CAT | CAJ | HAJ | 180.0° | 180.0° |
| CAH | CAT | FAF | CAJ | 178.8° | 179.9° |
| CAH | CAT | CAJ | CAU | 0.0° | 0.5° |
| HAH | CAH | CAI | CAV | 178.7° | 179.8° |
| HAH | CAH | CAI | HAI | 1.3° | 0.1° |
| HAH | CAH | CAT | FAF | 1.4° | 0.1° |
| HAH | CAH | CAT | CAJ | 179.8° | 180.0° |
| CAH | CAI | CAV | HAI | 180.0° | 179.9° |
| CAH | CAI | CAV | CAN | 179.9° | 180.0° |
| CAI | CAH | CAT | FAF | 178.6° | 179.8° |
| CAI | CAH | CAT | CAJ | 0.2° | 0.2° |
| CAH | CAI | CAV | CAU | 2.0° | 0.1° |
| CAI | CAV | CAN | CAU | 177.8° | 179.9° |
| CAI | CAV | CAN | NAP | 129.9° | 105.1° |
| CAI | CAV | CAN | HAN | 9.9° | 14.9° |
| CAI | CAV | CAN | HANA | 110.1° | 135.0° |
| CAI | CAV | CAU | FAG | 178.4° | 179.8° |
| CAI | CAV | CAU | CAJ | 1.8° | 0.2° |
| HAI | CAI | CAV | CAN | 0.1° | 0.1° |
| HAI | CAI | CAV | CAU | 178.0° | 180.0° |
| HAJ | CAJ | CAT | FAF | 1.1° | 0.1° |
| HAJ | CAJ | CAT | CAU | 180.0° | 179.5° |
| HAJ | CAJ | CAU | FAG | 0.6° | 0.0° |
| HAJ | CAJ | CAU | CAV | 179.2° | 180.0° |
| CAX | CAK | NBD | HAK | 180.0° | 179.8° |
| CAX | CAK | NBD | CAO | 178.0° | 179.4° |
| CAK | CAX | CAR | NAP | 174.2° | 174.1° |
| CAK | CAX | CAR | CAZ | 179.9° | 180.0° |
| CAK | CAX | CAZ | OAD | 179.8° | 179.8° |
| CAK | CAX | CAZ | CAW | 0.7° | 0.2° |
| CAX | CAK | NBD | CAY | 0.1° | 0.5° |
| CAK | NBD | CAO | CAY | 177.8° | 179.9° |
| CAK | NBD | CAO | CBB | 155.0° | 141.4° |
| CAK | NBD | CAO | HAO | 35.0° | 21.9° |
| CAK | NBD | CAO | HAOA | 85.0° | 99.1° |
| NBD | CAK | CAX | CAR | 180.0° | 179.9° |
| NBD | CAK | CAX | CAZ | 0.1° | 0.1° |
| CAK | NBD | CAY | CAS | 177.5° | 179.4° |
| CAK | NBD | CAY | CAW | 0.6° | 0.7° |
| HAK | CAK | NBD | CAO | 2.0° | 0.8° |
| HAK | CAK | CAX | CAR | 0.0° | 0.3° |
| HAK | CAK | CAX | CAZ | 179.9° | 179.7° |
| HAK | CAK | NBD | CAY | 179.9° | 179.3° |
| CAM | CAL | HAL | HALA | 117.5° | 120.8° |
| CAM | CAL | HAL | OAQ | 125.1° | 118.4° |
| CAM | CAL | HALA | OAQ | 125.1° | 118.4° |
| CAL | CAM | CBA | HAM | 120.0° | 119.5° |
| CAL | CAM | CBA | HAMA | 120.0° | 119.5° |
| CAL | CAM | HAM | HAMA | 119.2° | 121.0° |
| CAL | CAM | CBA | HBA | 162.8° | 71.9° |
| CAM | CAL | OAQ | CBB | 58.3° | 53.8° |
| CAL | CAM | CBA | NBC | 42.5° | 48.2° |
| HAL | CAL | HALA | OAQ | 117.4° | 120.8° |
| HAL | CAL | CAM | CBA | 74.6° | 171.7° |
| HAL | CAL | CAM | HAM | 165.4° | 52.3° |
| HAL | CAL | CAM | HAMA | 45.4° | 68.8° |
| HAL | CAL | OAQ | CBB | 61.7° | 173.5° |
| HALA | CAL | CAM | CBA | 165.4° | 51.0° |
| HALA | CAL | CAM | HAM | 45.4° | 68.5° |
| HALA | CAL | CAM | HAMA | 74.6° | 170.5° |
| HALA | CAL | OAQ | CBB | 178.3° | 65.8° |
| CBA | CAM | HAM | HAMA | 119.2° | 121.1° |
| CBA | CAM | CAL | OAQ | 45.4° | 68.7° |
| CAM | CBA | HBA | NBC | 118.1° | 120.6° |
| CAM | CBA | NBC | CBB | 60.3° | 15.0° |
| CAM | CBA | NBC | CAS | 118.2° | 167.5° |
| HAM | CAM | CAL | OAQ | 74.6° | 171.9° |
| HAM | CAM | CBA | HBA | 42.8° | 47.6° |
| HAM | CAM | CBA | NBC | 77.5° | 167.6° |
| HAMA | CAM | CAL | OAQ | 165.4° | 50.8° |
| HAMA | CAM | CBA | HBA | 77.2° | 168.6° |
| HAMA | CAM | CBA | NBC | 162.4° | 71.3° |
| CAV | CAN | NAP | HAN | 120.0° | 120.0° |
| CAV | CAN | NAP | HANA | 120.0° | 119.9° |
| CAV | CAN | HAN | HANA | 118.4° | 120.0° |
| CAV | CAN | NAP | HNAP | 72.9° | 0.0° |
| CAV | CAN | NAP | CAR | 107.0° | 180.0° |
| CAN | CAV | CAU | FAG | 0.6° | 0.3° |
| CAN | CAV | CAU | CAJ | 179.6° | 179.7° |
| NAP | CAN | HAN | HANA | 118.4° | 120.0° |
| CAN | NAP | HNAP | CAR | 180.0° | 180.0° |
| CAN | NAP | CAR | CAX | 179.6° | 174.8° |
| NAP | CAN | CAV | CAU | 52.3° | 75.0° |
| HAN | CAN | NAP | HNAP | 167.1° | 120.0° |
| HAN | CAN | NAP | CAR | 13.0° | 60.0° |
| HAN | CAN | CAV | CAU | 172.3° | 165.0° |
| HANA | CAN | NAP | HNAP | 47.1° | 119.9° |
| HANA | CAN | NAP | CAR | 133.0° | 60.1° |
| HANA | CAN | CAV | CAU | 67.7° | 45.0° |
| NBD | CAO | CBB | HAO | 120.0° | 119.5° |
| NBD | CAO | CBB | HAOA | 120.0° | 119.5° |
| NBD | CAO | HAO | HAOA | 118.4° | 121.0° |
| CAO | NBD | CAY | CAS | 4.7° | 0.7° |
| CAO | NBD | CAY | CAW | 178.3° | 179.2° |
| NBD | CAO | CBB | OAQ | 85.4° | 166.7° |
| NBD | CAO | CBB | NBC | 31.5° | 60.9° |
| NBD | CAO | CBB | HBB | 151.2° | 51.7° |
| CBB | CAO | HAO | HAOA | 118.4° | 121.0° |
| CAO | CBB | OAQ | CAL | 167.6° | 110.2° |
| CAO | CBB | OAQ | NBC | 123.5° | 128.8° |
| CAO | CBB | OAQ | HBB | 116.8° | 114.8° |
| CAO | CBB | NBC | HBB | 116.8° | 112.9° |
| CAO | CBB | NBC | CAS | 17.5° | 45.3° |
| CAO | CBB | NBC | CBA | 164.0° | 132.2° |
| CBB | CAO | NBD | CAY | 27.2° | 38.5° |
| HAO | CAO | CBB | OAQ | 34.6° | 47.2° |
| HAO | CAO | CBB | NBC | 151.5° | 179.6° |
| HAO | CAO | CBB | HBB | 88.7° | 67.8° |
| HAO | CAO | NBD | CAY | 147.2° | 158.0° |
| HAOA | CAO | CBB | OAQ | 154.6° | 73.9° |
| HAOA | CAO | CBB | NBC | 88.5° | 58.6° |
| HAOA | CAO | CBB | HBB | 31.2° | 171.1° |
| HAOA | CAO | NBD | CAY | 92.9° | 81.0° |
| HNAP | NAP | CAR | CAX | 0.4° | 5.3° |
| CAL | OAQ | CBB | NBC | 68.9° | 18.6° |
| CAL | OAQ | CBB | HBB | 50.8° | 135.0° |
| NAP | CAR | CAX | CAZ | 5.8° | 5.9° |
| CAR | CAX | CAZ | OAD | 0.1° | 0.2° |
| CAR | CAX | CAZ | CAW | 179.4° | 179.8° |
| OAC | CAS | CAY | NBC | 171.1° | 180.0° |
| OAC | CAS | CAY | CAW | 6.2° | 20.5° |
| OAC | CAS | NBC | CBB | 176.6° | 175.3° |
| OAC | CAS | NBC | CBA | 1.9° | 7.1° |
| OAC | CAS | CAY | NBD | 177.0° | 159.6° |
| FAF | CAT | CAJ | CAU | 178.9° | 179.5° |
| CAT | CAJ | CAU | FAG | 179.4° | 179.5° |
| CAT | CAJ | CAU | CAV | 0.8° | 0.5° |
| FAG | CAU | CAJ | CAV | 179.8° | 180.0° |
| OAE | CAW | CAZ | CAX | 179.8° | 179.9° |
| OAE | CAW | CAY | CAS | 3.0° | 0.2° |
| OAE | CAW | CAY | CAZ | 179.0° | 180.0° |
| OAE | CAW | CAZ | OAD | 0.3° | 0.1° |
| OAE | CAW | CAY | NBD | 179.8° | 179.7° |
| CAX | CAZ | CAW | CAY | 1.2° | 0.1° |
| CAX | CAZ | OAD | CAW | 179.5° | 180.0° |
| CAS | CAY | CAW | NBD | 176.8° | 179.9° |
| CAS | CAY | CAW | CAZ | 177.9° | 179.7° |
| CAY | CAS | NBC | CBB | 5.3° | 4.7° |
| CAY | CAS | NBC | CBA | 173.1° | 172.9° |
| CAY | CAW | CAZ | OAD | 179.3° | 179.9° |
| CAW | CAY | CAS | NBC | 164.8° | 159.5° |
| CAZ | CAW | CAY | NBD | 1.2° | 0.3° |
| HBA | CBA | NBC | CBB | 178.0° | 105.2° |
| HBA | CBA | NBC | CAS | 3.4° | 72.3° |
| OAQ | CBB | NBC | HBB | 123.4° | 116.9° |
| OAQ | CBB | NBC | CAS | 102.4° | 175.5° |
| OAQ | CBB | NBC | CBA | 76.2° | 1.9° |
| CBB | NBC | CAS | CBA | 178.4° | 177.6° |
| HBB | CBB | NBC | CAS | 134.3° | 67.6° |
| HBB | CBB | NBC | CBA | 47.2° | 114.9° |
| NBC | CAS | CAY | NBD | 11.9° | 20.4° |
