EWS
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CLA | CAN | sing | 1.74Å | 1.73Å | |
| CAN | CAO | doub | 1.38Å | 1.42Å | Aromatic |
| CAN | CAM | sing | 1.38Å | 1.41Å | Aromatic |
| CAO | CAK | sing | 1.38Å | 1.40Å | Aromatic |
| CAM | CAL | doub | 1.38Å | 1.40Å | Aromatic |
| CAK | CAJ | doub | 1.38Å | 1.42Å | Aromatic |
| CAL | CAJ | sing | 1.38Å | 1.42Å | Aromatic |
| CAJ | CAI | sing | 1.51Å | 1.39Å | |
| CAI | CAH | sing | 1.53Å | 1.54Å | |
| CAH | NAG | sing | 1.47Å | 1.48Å | |
| CAH | CAD | sing | 1.53Å | 1.54Å | |
| NAG | CAF | sing | 1.47Å | 1.47Å | |
| CAD | CAC | sing | 1.53Å | 1.54Å | |
| CAF | CAE | sing | 1.53Å | 1.54Å | |
| CAE | CAC | sing | 1.53Å | 1.53Å | |
| BRA | CAR | sing | 1.89Å | 1.87Å | |
| CAC | NAA | sing | 1.47Å | 1.48Å | |
| NAA | CAZ | sing | 1.35Å | 1.35Å | |
| CAR | CAQ | doub | 1.38Å | 1.41Å | Aromatic |
| CAR | CAS | sing | 1.39Å | 1.42Å | Aromatic |
| CAQ | CAV | sing | 1.39Å | 1.36Å | Aromatic |
| CAZ | OAB | doub | 1.22Å | 1.23Å | |
| CAZ | CBA | sing | 1.47Å | 1.34Å | |
| CAS | CAT | doub | 1.38Å | 1.41Å | Aromatic |
| CAV | CBA | sing | 1.47Å | 1.34Å | Aromatic |
| CAV | CAU | doub | 1.40Å | 1.36Å | Aromatic |
| CBA | CAX | doub | 1.36Å | 1.33Å | Aromatic |
| CAT | CAU | sing | 1.39Å | 1.35Å | Aromatic |
| CAU | NAW | sing | 1.38Å | 1.33Å | Aromatic |
| CAX | NAW | sing | 1.35Å | 1.33Å | Aromatic |
| CAC | HAC | sing | 1.09Å | 1.10Å | |
| CAD | HAD | sing | 1.09Å | 1.10Å | |
| CAD | HAE | sing | 1.09Å | 1.10Å | |
| CAE | HAF | sing | 1.09Å | 1.10Å | |
| CAE | HAG | sing | 1.09Å | 1.10Å | |
| CAF | HAI | sing | 1.09Å | 1.10Å | |
| CAF | HAH | sing | 1.09Å | 1.10Å | |
| CAH | HAJ | sing | 1.09Å | 1.10Å | |
| CAI | HAL | sing | 1.09Å | 1.10Å | |
| CAI | HAK | sing | 1.09Å | 1.10Å | |
| CAK | HAM | sing | 1.08Å | 1.08Å | |
| CAL | HAN | sing | 1.08Å | 1.08Å | |
| CAM | HAO | sing | 1.08Å | 1.08Å | |
| CAO | HAP | sing | 1.08Å | 1.08Å | |
| CAQ | HAQ | sing | 1.08Å | 1.08Å | |
| CAS | HAS | sing | 1.08Å | 1.08Å | |
| CAT | HAT | sing | 1.08Å | 1.08Å | |
| CAX | HAX | sing | 1.08Å | 1.08Å | |
| NAA | HAA | sing | 0.97Å | 1.00Å | |
| NAG | HAZ | sing | 1.01Å | 1.00Å | |
| NAG | HAY | sing | 1.01Å | 1.00Å | |
| NAW | HAW | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CLA | CAN | CAO | 118.9° | 120.0° |
| CLA | CAN | CAM | 119.2° | 120.0° |
| CAO | CAN | CAM | 121.9° | 119.9° |
| CAN | CAO | CAK | 119.0° | 120.0° |
| CAN | CAO | HAP | 120.5° | 120.0° |
| CAN | CAM | CAL | 119.1° | 120.0° |
| CAN | CAM | HAO | 120.5° | 120.0° |
| CAO | CAK | CAJ | 119.4° | 120.0° |
| CAO | CAK | HAM | 120.3° | 120.0° |
| CAK | CAO | HAP | 120.5° | 120.0° |
| CAM | CAL | CAJ | 119.5° | 120.0° |
| CAM | CAL | HAN | 120.2° | 120.0° |
| CAL | CAM | HAO | 120.5° | 120.0° |
| CAK | CAJ | CAL | 121.1° | 120.0° |
| CAK | CAJ | CAI | 119.8° | 120.0° |
| CAJ | CAK | HAM | 120.3° | 120.0° |
| CAL | CAJ | CAI | 119.2° | 120.0° |
| CAJ | CAL | HAN | 120.3° | 120.0° |
| CAJ | CAI | CAH | 112.9° | 109.5° |
| CAJ | CAI | HAL | 108.6° | 109.4° |
| CAJ | CAI | HAK | 108.6° | 109.4° |
| CAI | CAH | NAG | 113.3° | 109.5° |
| CAI | CAH | CAD | 109.4° | 109.5° |
| CAI | CAH | HAJ | 107.5° | 109.5° |
| CAH | CAI | HAL | 108.6° | 109.5° |
| CAH | CAI | HAK | 108.6° | 109.5° |
| NAG | CAH | CAD | 110.6° | 109.6° |
| CAH | NAG | CAF | 112.5° | 109.9° |
| NAG | CAH | HAJ | 108.2° | 109.4° |
| CAH | NAG | HAZ | 108.7° | 109.4° |
| CAH | NAG | HAY | 108.7° | 109.4° |
| CAH | CAD | CAC | 113.1° | 109.3° |
| CAH | CAD | HAD | 108.6° | 109.5° |
| CAH | CAD | HAE | 108.6° | 109.5° |
| CAD | CAH | HAJ | 107.6° | 109.4° |
| NAG | CAF | CAE | 114.9° | 109.6° |
| NAG | CAF | HAI | 108.1° | 109.5° |
| NAG | CAF | HAH | 108.1° | 109.4° |
| CAF | NAG | HAZ | 108.7° | 109.3° |
| CAF | NAG | HAY | 108.7° | 109.5° |
| CAD | CAC | CAE | 111.3° | 109.2° |
| CAD | CAC | NAA | 109.7° | 109.6° |
| CAD | CAC | HAC | 107.6° | 109.6° |
| CAC | CAD | HAD | 108.6° | 109.5° |
| CAC | CAD | HAE | 108.5° | 109.5° |
| CAF | CAE | CAC | 109.0° | 109.2° |
| CAF | CAE | HAF | 109.6° | 109.5° |
| CAF | CAE | HAG | 109.6° | 109.5° |
| CAE | CAF | HAI | 108.1° | 109.4° |
| CAE | CAF | HAH | 108.1° | 109.4° |
| CAE | CAC | NAA | 112.0° | 109.5° |
| CAE | CAC | HAC | 107.7° | 109.5° |
| CAC | CAE | HAF | 109.6° | 109.6° |
| CAC | CAE | HAG | 109.6° | 109.5° |
| BRA | CAR | CAQ | 119.9° | 119.9° |
| BRA | CAR | CAS | 120.1° | 119.8° |
| CAC | NAA | CAZ | 123.0° | 120.0° |
| NAA | CAC | HAC | 108.3° | 109.5° |
| CAC | NAA | HAA | 118.5° | 119.9° |
| NAA | CAZ | OAB | 122.9° | 120.0° |
| NAA | CAZ | CBA | 115.9° | 120.0° |
| CAZ | NAA | HAA | 118.5° | 120.1° |
| CAQ | CAR | CAS | 119.9° | 120.3° |
| CAR | CAQ | CAV | 118.9° | 119.7° |
| CAR | CAQ | HAQ | 120.5° | 120.2° |
| CAR | CAS | CAT | 118.3° | 120.6° |
| CAR | CAS | HAS | 120.8° | 119.7° |
| CAQ | CAV | CBA | 132.7° | 134.0° |
| CAQ | CAV | CAU | 120.7° | 120.1° |
| CAV | CAQ | HAQ | 120.5° | 120.1° |
| OAB | CAZ | CBA | 121.1° | 120.0° |
| CAZ | CBA | CAV | 128.1° | 126.8° |
| CAZ | CBA | CAX | 122.5° | 126.8° |
| CAS | CAT | CAU | 119.4° | 120.0° |
| CAT | CAS | HAS | 120.8° | 119.7° |
| CAS | CAT | HAT | 120.3° | 120.1° |
| CBA | CAV | CAU | 106.6° | 105.9° |
| CAV | CBA | CAX | 109.3° | 106.5° |
| CAV | CAU | CAT | 122.7° | 119.3° |
| CAV | CAU | NAW | 107.5° | 107.5° |
| CBA | CAX | NAW | 107.5° | 109.8° |
| CBA | CAX | HAX | 126.2° | 125.1° |
| CAT | CAU | NAW | 129.8° | 133.2° |
| CAU | CAT | HAT | 120.3° | 120.0° |
| CAU | NAW | CAX | 109.0° | 110.4° |
| CAU | NAW | HAW | 125.5° | 124.8° |
| NAW | CAX | HAX | 126.2° | 125.1° |
| CAX | NAW | HAW | 125.5° | 124.8° |
| HAD | CAD | HAE | 109.5° | 109.5° |
| HAF | CAE | HAG | 109.5° | 109.5° |
| HAI | CAF | HAH | 109.5° | 109.4° |
| HAL | CAI | HAK | 109.5° | 109.5° |
| HAZ | NAG | HAY | 109.5° | 109.3° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CLA | CAN | CAO | CAM | 179.1° | 179.7° |
| CLA | CAN | CAO | CAK | 179.5° | 180.0° |
| CLA | CAN | CAM | CAL | 179.5° | 180.0° |
| CLA | CAN | CAM | HAO | 0.5° | 0.0° |
| CLA | CAN | CAO | HAP | 0.5° | 0.2° |
| CAN | CAO | CAK | HAP | 180.0° | 179.8° |
| CAO | CAN | CAM | CAL | 0.5° | 0.3° |
| CAN | CAO | CAK | CAJ | 0.1° | 0.0° |
| CAN | CAO | CAK | HAM | 179.9° | 180.0° |
| CAO | CAN | CAM | HAO | 179.5° | 179.7° |
| CAM | CAN | CAO | CAK | 0.4° | 0.2° |
| CAN | CAM | CAL | HAO | 180.0° | 180.0° |
| CAN | CAM | CAL | CAJ | 0.2° | 0.1° |
| CAN | CAM | CAL | HAN | 179.8° | 180.0° |
| CAM | CAN | CAO | HAP | 179.6° | 180.0° |
| CAO | CAK | CAJ | HAM | 180.0° | 180.0° |
| CAO | CAK | CAJ | CAL | 0.1° | 0.3° |
| CAO | CAK | CAJ | CAI | 179.7° | 179.9° |
| CAM | CAL | CAJ | CAK | 0.1° | 0.2° |
| CAM | CAL | CAJ | HAN | 180.0° | 180.0° |
| CAM | CAL | CAJ | CAI | 179.7° | 180.0° |
| CAK | CAJ | CAL | CAI | 179.6° | 179.8° |
| CAK | CAJ | CAI | CAH | 81.7° | 90.0° |
| CAK | CAJ | CAI | HAL | 157.8° | 30.1° |
| CAK | CAJ | CAI | HAK | 38.9° | 150.0° |
| CAK | CAJ | CAL | HAN | 179.9° | 179.8° |
| CAJ | CAK | CAO | HAP | 179.9° | 179.8° |
| CAL | CAJ | CAI | CAH | 97.9° | 90.2° |
| CAL | CAJ | CAI | HAL | 22.6° | 149.7° |
| CAL | CAJ | CAI | HAK | 141.6° | 29.8° |
| CAL | CAJ | CAK | HAM | 179.8° | 179.8° |
| CAJ | CAL | CAM | HAO | 179.8° | 179.9° |
| CAJ | CAI | CAH | HAL | 120.5° | 120.0° |
| CAJ | CAI | CAH | HAK | 120.5° | 120.0° |
| CAJ | CAI | CAH | NAG | 59.9° | 65.0° |
| CAJ | CAI | CAH | CAD | 176.1° | 174.8° |
| CAJ | CAI | CAH | HAJ | 59.6° | 54.9° |
| CAJ | CAI | HAL | HAK | 118.4° | 119.9° |
| CAI | CAJ | CAK | HAM | 0.3° | 0.0° |
| CAI | CAJ | CAL | HAN | 0.3° | 0.1° |
| CAI | CAH | NAG | CAD | 123.3° | 120.1° |
| CAI | CAH | NAG | HAJ | 119.1° | 120.0° |
| CAI | CAH | CAD | HAJ | 116.4° | 120.0° |
| CAI | CAH | NAG | CAF | 174.0° | 176.9° |
| CAI | CAH | CAD | CAC | 156.3° | 179.9° |
| CAI | CAH | CAD | HAD | 35.8° | 60.1° |
| CAI | CAH | CAD | HAE | 83.2° | 60.0° |
| CAH | CAI | HAL | HAK | 118.4° | 120.1° |
| CAI | CAH | NAG | HAZ | 53.6° | 63.1° |
| CAI | CAH | NAG | HAY | 65.5° | 56.6° |
| NAG | CAH | CAD | HAJ | 118.0° | 119.9° |
| CAH | NAG | CAF | HAZ | 120.5° | 120.1° |
| CAH | NAG | CAF | HAY | 120.5° | 120.2° |
| NAG | CAH | CAD | CAC | 30.8° | 59.8° |
| CAH | NAG | CAF | CAE | 30.2° | 63.1° |
| NAG | CAH | CAD | HAD | 89.8° | 179.8° |
| NAG | CAH | CAD | HAE | 151.3° | 60.1° |
| CAH | NAG | CAF | HAI | 90.6° | 176.9° |
| CAH | NAG | CAF | HAH | 151.0° | 56.9° |
| NAG | CAH | CAI | HAL | 60.6° | 175.0° |
| NAG | CAH | CAI | HAK | 179.6° | 55.0° |
| CAH | NAG | HAZ | HAY | 118.6° | 119.7° |
| CAD | CAH | NAG | CAF | 62.7° | 63.0° |
| CAH | CAD | CAC | HAD | 120.6° | 120.0° |
| CAH | CAD | CAC | HAE | 120.5° | 120.0° |
| CAH | CAD | CAC | CAE | 29.3° | 57.0° |
| CAH | CAD | CAC | NAA | 153.9° | 63.0° |
| CAH | CAD | CAC | HAC | 88.5° | 176.9° |
| CAH | CAD | HAD | HAE | 118.4° | 120.1° |
| CAD | CAH | CAI | HAL | 63.4° | 54.9° |
| CAD | CAH | CAI | HAK | 55.6° | 65.2° |
| CAD | CAH | NAG | HAZ | 176.8° | 57.0° |
| CAD | CAH | NAG | HAY | 57.8° | 176.7° |
| NAG | CAF | CAE | HAI | 120.8° | 120.1° |
| NAG | CAF | CAE | HAH | 120.8° | 120.0° |
| NAG | CAF | CAE | CAC | 30.3° | 60.0° |
| NAG | CAF | CAE | HAF | 89.6° | 60.1° |
| NAG | CAF | CAE | HAG | 150.2° | 179.9° |
| NAG | CAF | HAI | HAH | 117.5° | 119.9° |
| CAF | NAG | CAH | HAJ | 55.0° | 56.9° |
| CAF | NAG | HAZ | HAY | 118.6° | 119.8° |
| CAD | CAC | CAE | CAF | 60.4° | 57.0° |
| CAD | CAC | CAE | NAA | 123.3° | 120.0° |
| CAD | CAC | CAE | HAC | 117.7° | 119.9° |
| CAD | CAC | NAA | HAC | 117.2° | 120.2° |
| CAD | CAC | NAA | CAZ | 169.7° | 155.1° |
| CAC | CAD | HAD | HAE | 118.3° | 120.1° |
| CAD | CAC | CAE | HAF | 59.5° | 63.0° |
| CAD | CAC | CAE | HAG | 179.7° | 176.9° |
| CAC | CAD | CAH | HAJ | 87.3° | 60.1° |
| CAD | CAC | NAA | HAA | 10.3° | 24.8° |
| CAF | CAE | CAC | HAF | 119.9° | 120.0° |
| CAF | CAE | CAC | HAG | 119.9° | 119.9° |
| CAF | CAE | CAC | NAA | 176.3° | 63.0° |
| CAF | CAE | CAC | HAC | 57.3° | 176.9° |
| CAF | CAE | HAF | HAG | 120.2° | 120.1° |
| CAE | CAF | HAI | HAH | 117.5° | 119.9° |
| CAE | CAF | NAG | HAZ | 150.6° | 57.0° |
| CAE | CAF | NAG | HAY | 90.3° | 176.7° |
| CAE | CAC | NAA | HAC | 118.7° | 120.1° |
| CAE | CAC | NAA | CAZ | 66.1° | 85.1° |
| CAE | CAC | CAD | HAD | 149.9° | 177.0° |
| CAE | CAC | CAD | HAE | 91.2° | 63.0° |
| CAC | CAE | HAF | HAG | 120.3° | 120.1° |
| CAC | CAE | CAF | HAI | 151.1° | 179.9° |
| CAC | CAE | CAF | HAH | 90.5° | 60.0° |
| CAE | CAC | NAA | HAA | 113.9° | 94.9° |
| BRA | CAR | CAQ | CAS | 178.5° | 180.0° |
| BRA | CAR | CAQ | CAV | 178.9° | 180.0° |
| BRA | CAR | CAS | CAT | 178.9° | 180.0° |
| BRA | CAR | CAQ | HAQ | 1.1° | 0.3° |
| BRA | CAR | CAS | HAS | 1.1° | 0.1° |
| CAC | NAA | CAZ | HAA | 180.0° | 179.9° |
| CAC | NAA | CAZ | OAB | 3.1° | 0.0° |
| CAC | NAA | CAZ | CBA | 180.0° | 180.0° |
| NAA | CAC | CAD | HAD | 85.5° | 57.0° |
| NAA | CAC | CAD | HAE | 33.4° | 177.1° |
| NAA | CAC | CAE | HAF | 63.8° | 177.0° |
| NAA | CAC | CAE | HAG | 56.4° | 57.0° |
| NAA | CAZ | OAB | CBA | 176.7° | 180.0° |
| NAA | CAZ | CBA | CAV | 52.8° | 180.0° |
| NAA | CAZ | CBA | CAX | 122.2° | 0.1° |
| CAZ | NAA | CAC | HAC | 52.6° | 34.9° |
| CAR | CAQ | CAV | HAQ | 180.0° | 179.7° |
| CAQ | CAR | CAS | CAT | 0.4° | 0.1° |
| CAR | CAQ | CAV | CBA | 179.6° | 179.7° |
| CAR | CAQ | CAV | CAU | 0.6° | 0.0° |
| CAQ | CAR | CAS | HAS | 179.7° | 179.9° |
| CAS | CAR | CAQ | CAV | 0.4° | 0.0° |
| CAR | CAS | CAT | HAS | 180.0° | 179.9° |
| CAR | CAS | CAT | CAU | 0.6° | 0.1° |
| CAS | CAR | CAQ | HAQ | 179.6° | 179.7° |
| CAR | CAS | CAT | HAT | 179.4° | 179.9° |
| CAQ | CAV | CBA | CAZ | 4.6° | 0.1° |
| CAQ | CAV | CBA | CAU | 179.1° | 179.7° |
| CAQ | CAV | CBA | CAX | 180.0° | 179.9° |
| CAQ | CAV | CAU | CAT | 0.8° | 0.1° |
| CAQ | CAV | CAU | NAW | 179.7° | 180.0° |
| OAB | CAZ | CBA | CAV | 124.2° | 0.0° |
| OAB | CAZ | CBA | CAX | 60.9° | 179.9° |
| OAB | CAZ | NAA | HAA | 176.8° | 180.0° |
| CAZ | CBA | CAV | CAX | 175.5° | 179.9° |
| CAZ | CBA | CAV | CAU | 174.5° | 179.7° |
| CAZ | CBA | CAX | NAW | 175.4° | 179.8° |
| CAZ | CBA | CAX | HAX | 4.6° | 0.0° |
| CBA | CAZ | NAA | HAA | 0.0° | 0.0° |
| CAS | CAT | CAU | CAV | 0.8° | 0.1° |
| CAS | CAT | CAU | HAT | 180.0° | 180.0° |
| CAS | CAT | CAU | NAW | 179.4° | 180.0° |
| CBA | CAV | CAU | CAT | 179.9° | 179.8° |
| CBA | CAV | CAU | NAW | 1.1° | 0.3° |
| CAV | CBA | CAX | NAW | 0.4° | 0.3° |
| CBA | CAV | CAQ | HAQ | 0.4° | 0.0° |
| CAV | CBA | CAX | HAX | 179.6° | 179.9° |
| CAU | CAV | CBA | CAX | 0.9° | 0.4° |
| CAV | CAU | CAT | NAW | 178.6° | 179.9° |
| CAV | CAU | NAW | CAX | 0.9° | 0.1° |
| CAU | CAV | CAQ | HAQ | 179.4° | 179.6° |
| CAV | CAU | CAT | HAT | 179.2° | 179.9° |
| CAV | CAU | NAW | HAW | 179.2° | 180.0° |
| CBA | CAX | NAW | CAU | 0.3° | 0.2° |
| CBA | CAX | NAW | HAX | 180.0° | 179.8° |
| CBA | CAX | NAW | HAW | 179.7° | 179.8° |
| CAT | CAU | NAW | CAX | 179.6° | 180.0° |
| CAU | CAT | CAS | HAS | 179.5° | 180.0° |
| CAT | CAU | NAW | HAW | 0.4° | 0.1° |
| CAU | NAW | CAX | HAW | 180.0° | 179.9° |
| NAW | CAU | CAT | HAT | 0.6° | 0.0° |
| CAU | NAW | CAX | HAX | 179.7° | 179.9° |
| HAC | CAC | CAD | HAD | 32.1° | 63.1° |
| HAC | CAC | CAD | HAE | 151.0° | 56.9° |
| HAC | CAC | CAE | HAF | 177.2° | 57.0° |
| HAC | CAC | CAE | HAG | 62.6° | 63.1° |
| HAC | CAC | NAA | HAA | 127.4° | 145.0° |
| HAD | CAD | CAH | HAJ | 152.2° | 59.9° |
| HAE | CAD | CAH | HAJ | 33.3° | 180.0° |
| HAF | CAE | CAF | HAI | 31.2° | 60.0° |
| HAF | CAE | CAF | HAH | 149.6° | 180.0° |
| HAG | CAE | CAF | HAI | 89.0° | 60.0° |
| HAG | CAE | CAF | HAH | 29.4° | 59.9° |
| HAI | CAF | NAG | HAZ | 29.8° | 63.0° |
| HAI | CAF | NAG | HAY | 148.9° | 56.6° |
| HAH | CAF | NAG | HAZ | 88.6° | 177.0° |
| HAH | CAF | NAG | HAY | 30.5° | 63.3° |
| HAJ | CAH | CAI | HAL | 179.9° | 65.0° |
| HAJ | CAH | CAI | HAK | 60.9° | 174.9° |
| HAJ | CAH | NAG | HAZ | 65.5° | 176.9° |
| HAJ | CAH | NAG | HAY | 175.4° | 63.4° |
| HAM | CAK | CAO | HAP | 0.1° | 0.2° |
| HAN | CAL | CAM | HAO | 0.2° | 0.0° |
| HAS | CAS | CAT | HAT | 0.6° | 0.1° |
| HAX | CAX | NAW | HAW | 0.3° | 0.0° |
