03L
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OAA | CAT | doub | 1.21Å | 1.27Å | |
| OAB | CAU | doub | 1.22Å | 1.25Å | |
| OAC | CAT | sing | 1.35Å | 1.29Å | |
| OAC | HOAC | sing | 0.97Å | 0.95Å | |
| CAV | CLAD | sing | 1.74Å | 1.71Å | |
| CAW | CLAE | sing | 1.74Å | 1.68Å | |
| CAG | CAF | doub | 1.38Å | 1.39Å | Aromatic |
| CAK | CAF | sing | 1.38Å | 1.39Å | Aromatic |
| CAF | HAF | sing | 1.08Å | 1.08Å | |
| CAP | CLAF | sing | 1.74Å | 1.72Å | |
| CAL | CAG | sing | 1.38Å | 1.39Å | Aromatic |
| CAG | HAG | sing | 1.08Å | 1.08Å | |
| CAH | CAI | doub | 1.38Å | 1.38Å | Aromatic |
| CAH | CAJ | sing | 1.38Å | 1.39Å | Aromatic |
| CAH | HAH | sing | 1.08Å | 1.08Å | |
| CAI | CAW | sing | 1.38Å | 1.38Å | Aromatic |
| CAI | HAI | sing | 1.08Å | 1.08Å | |
| CAJ | CAY | doub | 1.39Å | 1.39Å | Aromatic |
| CAJ | HAJ | sing | 1.08Å | 1.08Å | |
| CAZ | CAK | doub | 1.39Å | 1.39Å | Aromatic |
| CAK | HAK | sing | 1.08Å | 1.08Å | |
| CBA | CAL | doub | 1.39Å | 1.39Å | Aromatic |
| CAL | HAL | sing | 1.08Å | 1.08Å | |
| CAO | CAM | doub | 1.38Å | 1.38Å | Aromatic |
| CAM | CAV | sing | 1.38Å | 1.39Å | Aromatic |
| CAM | HAM | sing | 1.08Å | 1.08Å | |
| CAP | CAN | sing | 1.38Å | 1.38Å | Aromatic |
| CAV | CAN | doub | 1.38Å | 1.38Å | Aromatic |
| CAN | HAN | sing | 1.08Å | 1.08Å | |
| CAO | CAX | sing | 1.39Å | 1.38Å | Aromatic |
| CAO | HAO | sing | 1.08Å | 1.08Å | |
| CAX | CAP | doub | 1.39Å | 1.38Å | Aromatic |
| CBB | CAQ | sing | 1.51Å | 1.50Å | |
| CAQ | NAR | sing | 1.47Å | 1.46Å | |
| CAQ | HAQ | sing | 1.09Å | 1.10Å | |
| CAQ | HAQA | sing | 1.09Å | 1.10Å | |
| NAR | CAU | sing | 1.35Å | 1.43Å | |
| NAR | HNAR | sing | 0.97Å | 1.00Å | |
| CAY | SAS | sing | 1.76Å | 1.78Å | |
| SAS | CAX | sing | 1.76Å | 1.76Å | |
| CAT | CAZ | sing | 1.48Å | 1.53Å | |
| CAU | CBA | sing | 1.48Å | 1.56Å | |
| CAW | CBB | doub | 1.38Å | 1.39Å | Aromatic |
| CAY | CBB | sing | 1.39Å | 1.38Å | Aromatic |
| CBA | CAZ | sing | 1.41Å | 1.39Å | Aromatic |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OAA | CAT | OAC | 120.1° | 120.0° |
| OAA | CAT | CAZ | 120.3° | 120.0° |
| OAB | CAU | NAR | 120.8° | 120.0° |
| OAB | CAU | CBA | 120.6° | 120.0° |
| CAT | OAC | HOAC | 109.5° | 117.0° |
| OAC | CAT | CAZ | 119.6° | 120.0° |
| CLAD | CAV | CAM | 119.9° | 119.9° |
| CLAD | CAV | CAN | 119.5° | 120.0° |
| CLAE | CAW | CAI | 119.4° | 120.0° |
| CLAE | CAW | CBB | 120.0° | 120.0° |
| CAG | CAF | CAK | 120.5° | 120.4° |
| CAG | CAF | HAF | 119.7° | 119.8° |
| CAF | CAG | CAL | 119.6° | 120.4° |
| CAF | CAG | HAG | 120.2° | 119.8° |
| CAK | CAF | HAF | 119.7° | 119.8° |
| CAF | CAK | CAZ | 120.0° | 120.0° |
| CAF | CAK | HAK | 120.0° | 120.0° |
| CLAF | CAP | CAN | 121.6° | 120.1° |
| CLAF | CAP | CAX | 118.3° | 120.0° |
| CAL | CAG | HAG | 120.2° | 119.8° |
| CAG | CAL | CBA | 120.0° | 120.0° |
| CAG | CAL | HAL | 120.0° | 120.0° |
| CAI | CAH | CAJ | 120.0° | 120.1° |
| CAI | CAH | HAH | 120.0° | 119.9° |
| CAH | CAI | CAW | 119.8° | 120.2° |
| CAH | CAI | HAI | 120.1° | 119.9° |
| CAJ | CAH | HAH | 120.0° | 120.0° |
| CAH | CAJ | CAY | 120.2° | 119.9° |
| CAH | CAJ | HAJ | 119.9° | 120.0° |
| CAW | CAI | HAI | 120.1° | 119.9° |
| CAI | CAW | CBB | 120.5° | 120.0° |
| CAY | CAJ | HAJ | 119.9° | 120.1° |
| CAJ | CAY | SAS | 119.1° | 120.0° |
| CAJ | CAY | CBB | 120.0° | 119.9° |
| CAZ | CAK | HAK | 120.0° | 120.0° |
| CAK | CAZ | CAT | 119.3° | 120.2° |
| CAK | CAZ | CBA | 119.5° | 119.6° |
| CBA | CAL | HAL | 120.0° | 120.0° |
| CAL | CBA | CAU | 117.7° | 120.2° |
| CAL | CBA | CAZ | 120.4° | 119.6° |
| CAO | CAM | CAV | 119.9° | 120.1° |
| CAO | CAM | HAM | 120.1° | 120.0° |
| CAM | CAO | CAX | 119.2° | 119.9° |
| CAM | CAO | HAO | 120.4° | 120.1° |
| CAV | CAM | HAM | 120.0° | 119.9° |
| CAM | CAV | CAN | 120.5° | 120.1° |
| CAP | CAN | CAV | 119.3° | 120.1° |
| CAP | CAN | HAN | 120.4° | 120.0° |
| CAN | CAP | CAX | 120.2° | 119.9° |
| CAV | CAN | HAN | 120.4° | 119.9° |
| CAX | CAO | HAO | 120.4° | 120.0° |
| CAO | CAX | CAP | 120.8° | 119.9° |
| CAO | CAX | SAS | 121.9° | 120.1° |
| CAP | CAX | SAS | 117.3° | 120.1° |
| CBB | CAQ | NAR | 112.6° | 109.4° |
| CBB | CAQ | HAQ | 108.4° | 109.4° |
| CBB | CAQ | HAQA | 108.4° | 109.5° |
| CAQ | CBB | CAW | 119.6° | 120.1° |
| CAQ | CBB | CAY | 120.9° | 120.0° |
| NAR | CAQ | HAQ | 108.4° | 109.5° |
| NAR | CAQ | HAQA | 108.4° | 109.5° |
| CAQ | NAR | CAU | 122.0° | 120.0° |
| CAQ | NAR | HNAR | 119.0° | 120.0° |
| HAQ | CAQ | HAQA | 110.5° | 109.5° |
| CAU | NAR | HNAR | 119.0° | 120.0° |
| NAR | CAU | CBA | 118.6° | 120.0° |
| CAY | SAS | CAX | 104.7° | 103.0° |
| SAS | CAY | CBB | 120.9° | 120.1° |
| CAT | CAZ | CBA | 121.2° | 120.2° |
| CAU | CBA | CAZ | 121.9° | 120.2° |
| CAW | CBB | CAY | 119.5° | 119.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OAA | CAT | OAC | CAZ | 179.9° | 179.9° |
| OAA | CAT | OAC | HOAC | 0.0° | 0.1° |
| OAA | CAT | CAZ | CAK | 129.0° | 124.9° |
| OAA | CAT | CAZ | CBA | 51.2° | 55.1° |
| OAB | CAU | CBA | CAL | 123.4° | 173.8° |
| OAB | CAU | NAR | CAQ | 0.6° | 0.0° |
| OAB | CAU | NAR | CBA | 179.1° | 179.9° |
| OAB | CAU | NAR | HNAR | 179.4° | 180.0° |
| OAB | CAU | CBA | CAZ | 56.3° | 5.8° |
| OAC | CAT | CAZ | CAK | 50.9° | 55.0° |
| OAC | CAT | CAZ | CBA | 128.9° | 125.0° |
| HOAC | OAC | CAT | CAZ | 179.9° | 180.0° |
| CLAD | CAV | CAM | CAO | 180.0° | 179.7° |
| CLAD | CAV | CAM | CAN | 179.9° | 179.9° |
| CLAD | CAV | CAM | HAM | 0.0° | 0.0° |
| CLAD | CAV | CAN | CAP | 179.9° | 179.5° |
| CLAD | CAV | CAN | HAN | 0.1° | 0.1° |
| CLAE | CAW | CAI | CAH | 179.7° | 179.9° |
| CLAE | CAW | CAI | CBB | 179.4° | 180.0° |
| CLAE | CAW | CAI | HAI | 0.3° | 0.0° |
| CLAE | CAW | CBB | CAQ | 1.3° | 0.0° |
| CLAE | CAW | CBB | CAY | 179.9° | 180.0° |
| CAG | CAF | CAK | HAF | 180.0° | 179.7° |
| CAF | CAG | CAL | HAG | 180.0° | 179.9° |
| CAG | CAF | CAK | CAZ | 0.3° | 0.3° |
| CAG | CAF | CAK | HAK | 179.7° | 179.6° |
| CAF | CAG | CAL | CBA | 0.1° | 0.0° |
| CAF | CAG | CAL | HAL | 179.9° | 179.9° |
| CAK | CAF | CAG | CAL | 0.3° | 0.3° |
| CAK | CAF | CAG | HAG | 179.8° | 179.8° |
| CAF | CAK | CAZ | HAK | 180.0° | 180.0° |
| CAF | CAK | CAZ | CAT | 180.0° | 180.0° |
| CAF | CAK | CAZ | CBA | 0.2° | 0.0° |
| HAF | CAF | CAG | CAL | 179.7° | 180.0° |
| HAF | CAF | CAG | HAG | 0.2° | 0.1° |
| HAF | CAF | CAK | CAZ | 179.7° | 180.0° |
| HAF | CAF | CAK | HAK | 0.3° | 0.0° |
| CLAF | CAP | CAN | CAX | 179.5° | 179.9° |
| CLAF | CAP | CAN | CAV | 179.7° | 179.4° |
| CLAF | CAP | CAN | HAN | 0.3° | 0.1° |
| CLAF | CAP | CAX | CAO | 179.9° | 179.7° |
| CLAF | CAP | CAX | SAS | 0.9° | 0.3° |
| CAG | CAL | CBA | HAL | 180.0° | 179.9° |
| CAG | CAL | CBA | CAU | 179.7° | 180.0° |
| CAG | CAL | CBA | CAZ | 0.0° | 0.3° |
| HAG | CAG | CAL | CBA | 179.9° | 179.9° |
| HAG | CAG | CAL | HAL | 0.1° | 0.0° |
| CAI | CAH | CAJ | HAH | 180.0° | 179.7° |
| CAH | CAI | CAW | HAI | 180.0° | 179.9° |
| CAI | CAH | CAJ | CAY | 0.2° | 0.1° |
| CAI | CAH | CAJ | HAJ | 179.8° | 179.9° |
| CAH | CAI | CAW | CBB | 0.3° | 0.1° |
| CAJ | CAH | CAI | CAW | 0.1° | 0.1° |
| CAJ | CAH | CAI | HAI | 179.9° | 180.0° |
| CAH | CAJ | CAY | HAJ | 180.0° | 180.0° |
| CAH | CAJ | CAY | SAS | 179.9° | 180.0° |
| CAH | CAJ | CAY | CBB | 0.0° | 0.0° |
| HAH | CAH | CAI | CAW | 179.9° | 179.7° |
| HAH | CAH | CAI | HAI | 0.1° | 0.4° |
| HAH | CAH | CAJ | CAY | 179.8° | 179.7° |
| HAH | CAH | CAJ | HAJ | 0.2° | 0.3° |
| CAI | CAW | CBB | CAQ | 179.3° | 180.0° |
| CAI | CAW | CBB | CAY | 0.5° | 0.0° |
| HAI | CAI | CAW | CBB | 179.7° | 180.0° |
| CAJ | CAY | CBB | CAQ | 179.1° | 180.0° |
| CAJ | CAY | SAS | CBB | 179.9° | 180.0° |
| CAJ | CAY | SAS | CAX | 51.4° | 5.6° |
| CAJ | CAY | CBB | CAW | 0.3° | 0.0° |
| HAJ | CAJ | CAY | SAS | 0.1° | 0.0° |
| HAJ | CAJ | CAY | CBB | 180.0° | 180.0° |
| CAK | CAZ | CBA | CAL | 0.0° | 0.3° |
| CAK | CAZ | CAT | CBA | 179.9° | 180.0° |
| CAK | CAZ | CBA | CAU | 179.7° | 180.0° |
| HAK | CAK | CAZ | CAT | 0.0° | 0.0° |
| HAK | CAK | CAZ | CBA | 179.9° | 180.0° |
| CAL | CBA | CAU | NAR | 55.6° | 6.2° |
| CAL | CBA | CAZ | CAT | 179.9° | 179.7° |
| CAL | CBA | CAU | CAZ | 179.7° | 179.7° |
| HAL | CAL | CBA | CAU | 0.2° | 0.1° |
| HAL | CAL | CBA | CAZ | 180.0° | 179.8° |
| CAO | CAM | CAV | HAM | 180.0° | 179.7° |
| CAO | CAM | CAV | CAN | 0.1° | 0.3° |
| CAM | CAO | CAX | HAO | 180.0° | 179.9° |
| CAM | CAO | CAX | CAP | 0.7° | 0.0° |
| CAM | CAO | CAX | SAS | 179.6° | 180.0° |
| CAM | CAV | CAN | CAP | 0.0° | 0.5° |
| CAM | CAV | CAN | HAN | 180.0° | 180.0° |
| CAV | CAM | CAO | CAX | 0.4° | 0.0° |
| CAV | CAM | CAO | HAO | 179.6° | 179.9° |
| HAM | CAM | CAV | CAN | 179.9° | 180.0° |
| HAM | CAM | CAO | CAX | 179.6° | 179.7° |
| HAM | CAM | CAO | HAO | 0.4° | 0.3° |
| CAP | CAN | CAV | HAN | 180.0° | 179.5° |
| CAN | CAP | CAX | CAO | 0.6° | 0.3° |
| CAN | CAP | CAX | SAS | 179.5° | 179.7° |
| CAV | CAN | CAP | CAX | 0.2° | 0.5° |
| HAN | CAN | CAP | CAX | 179.8° | 180.0° |
| CAO | CAX | CAP | SAS | 178.9° | 180.0° |
| CAO | CAX | SAS | CAY | 105.8° | 103.7° |
| HAO | CAO | CAX | CAP | 179.3° | 179.9° |
| HAO | CAO | CAX | SAS | 0.4° | 0.1° |
| CAP | CAX | SAS | CAY | 73.1° | 76.3° |
| CBB | CAQ | NAR | HAQ | 120.0° | 119.9° |
| CBB | CAQ | NAR | HAQA | 120.0° | 120.0° |
| CBB | CAQ | HAQ | HAQA | 118.7° | 120.0° |
| CBB | CAQ | NAR | CAU | 130.8° | 179.9° |
| CBB | CAQ | NAR | HNAR | 49.2° | 0.0° |
| CAQ | CBB | CAY | SAS | 0.8° | 0.1° |
| CAQ | CBB | CAW | CAY | 178.8° | 179.9° |
| NAR | CAQ | HAQ | HAQA | 118.7° | 120.0° |
| CAQ | NAR | CAU | HNAR | 180.0° | 179.9° |
| CAQ | NAR | CAU | CBA | 178.5° | 180.0° |
| NAR | CAQ | CBB | CAW | 55.0° | 90.0° |
| NAR | CAQ | CBB | CAY | 123.7° | 90.1° |
| HAQ | CAQ | NAR | CAU | 109.2° | 60.0° |
| HAQ | CAQ | NAR | HNAR | 70.8° | 119.9° |
| HAQ | CAQ | CBB | CAW | 175.0° | 30.0° |
| HAQ | CAQ | CBB | CAY | 3.8° | 150.0° |
| HAQA | CAQ | NAR | CAU | 10.8° | 60.0° |
| HAQA | CAQ | NAR | HNAR | 169.2° | 120.0° |
| HAQA | CAQ | CBB | CAW | 65.0° | 150.0° |
| HAQA | CAQ | CBB | CAY | 116.3° | 30.0° |
| NAR | CAU | CBA | CAZ | 124.6° | 174.1° |
| HNAR | NAR | CAU | CBA | 1.5° | 0.1° |
| SAS | CAY | CBB | CAW | 179.5° | 180.0° |
| CAX | SAS | CAY | CBB | 128.5° | 174.5° |
| CAT | CAZ | CBA | CAU | 0.2° | 0.0° |
