EWK
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CBB | CBA | doub | 1.38Å | 1.40Å | Aromatic |
| CBB | CAW | sing | 1.38Å | 1.41Å | Aromatic |
| OAB | CAA | doub | 1.22Å | 1.24Å | |
| CBA | CAZ | sing | 1.38Å | 1.39Å | Aromatic |
| CAV | CAW | sing | 1.51Å | 1.43Å | |
| CAV | NAU | sing | 1.47Å | 1.49Å | |
| CAW | CAX | doub | 1.38Å | 1.41Å | Aromatic |
| CAA | NAU | sing | 1.35Å | 1.37Å | |
| CAA | CAC | sing | 1.48Å | 1.40Å | |
| CAZ | CAY | doub | 1.38Å | 1.41Å | Aromatic |
| CAF | CAC | doub | 1.40Å | 1.40Å | Aromatic |
| CAF | CAG | sing | 1.38Å | 1.40Å | Aromatic |
| CAC | CAD | sing | 1.40Å | 1.41Å | Aromatic |
| CAX | CAY | sing | 1.38Å | 1.41Å | Aromatic |
| CAG | CAH | doub | 1.38Å | 1.41Å | Aromatic |
| CAD | CAE | doub | 1.38Å | 1.41Å | Aromatic |
| CAH | CAE | sing | 1.38Å | 1.39Å | Aromatic |
| CAH | CAI | sing | 1.51Å | 1.40Å | |
| CAR | CAS | doub | 1.36Å | 1.40Å | Aromatic |
| CAR | CAQ | sing | 1.41Å | 1.36Å | Aromatic |
| NAP | CAQ | sing | 1.35Å | 1.36Å | Aromatic |
| NAP | CAN | doub | 1.29Å | 1.35Å | Aromatic |
| CAI | SAT | sing | 1.81Å | 1.84Å | |
| CAS | CAJ | sing | 1.39Å | 1.42Å | Aromatic |
| CAQ | CAL | doub | 1.40Å | 1.38Å | Aromatic |
| NAO | CAN | sing | 1.38Å | 1.35Å | |
| CAN | SAM | sing | 1.76Å | 1.68Å | Aromatic |
| CAJ | CAK | doub | 1.38Å | 1.41Å | Aromatic |
| CAJ | SAT | sing | 1.76Å | 1.84Å | |
| CAL | CAK | sing | 1.39Å | 1.33Å | Aromatic |
| CAL | SAM | sing | 1.76Å | 1.69Å | Aromatic |
| CAK | H1 | sing | 1.08Å | 1.08Å | |
| NAO | H2 | sing | 0.97Å | 1.00Å | |
| NAO | H3 | sing | 0.97Å | 1.00Å | |
| CAR | H4 | sing | 1.08Å | 1.08Å | |
| CAS | H5 | sing | 1.08Å | 1.08Å | |
| CAI | H6 | sing | 1.09Å | 1.10Å | |
| CAI | H7 | sing | 1.09Å | 1.10Å | |
| CAG | H8 | sing | 1.08Å | 1.08Å | |
| CAF | H9 | sing | 1.08Å | 1.08Å | |
| CAE | H10 | sing | 1.08Å | 1.08Å | |
| CAD | H11 | sing | 1.08Å | 1.08Å | |
| NAU | H12 | sing | 0.97Å | 1.00Å | |
| CAV | H13 | sing | 1.09Å | 1.10Å | |
| CAV | H14 | sing | 1.09Å | 1.10Å | |
| CAX | H15 | sing | 1.08Å | 1.08Å | |
| CAY | H16 | sing | 1.08Å | 1.08Å | |
| CAZ | H17 | sing | 1.08Å | 1.08Å | |
| CBA | H18 | sing | 1.08Å | 1.08Å | |
| CBB | H19 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CBA | CBB | CAW | 122.6° | 120.0° |
| CBB | CBA | CAZ | 119.1° | 120.0° |
| CBB | CBA | H18 | 120.4° | 120.0° |
| CBA | CBB | H19 | 118.7° | 120.0° |
| CBB | CAW | CAV | 121.1° | 120.0° |
| CBB | CAW | CAX | 117.8° | 120.0° |
| CAW | CBB | H19 | 118.7° | 120.0° |
| OAB | CAA | NAU | 125.9° | 120.0° |
| OAB | CAA | CAC | 121.1° | 120.0° |
| CBA | CAZ | CAY | 119.8° | 120.0° |
| CBA | CAZ | H17 | 120.1° | 120.0° |
| CAZ | CBA | H18 | 120.4° | 120.0° |
| CAW | CAV | NAU | 108.1° | 109.5° |
| CAV | CAW | CAX | 121.1° | 120.0° |
| CAW | CAV | H13 | 109.8° | 109.5° |
| CAW | CAV | H14 | 109.8° | 109.5° |
| CAV | NAU | CAA | 128.9° | 120.0° |
| CAV | NAU | H12 | 115.6° | 120.0° |
| NAU | CAV | H13 | 109.8° | 109.4° |
| NAU | CAV | H14 | 109.8° | 109.5° |
| CAW | CAX | CAY | 119.8° | 120.0° |
| CAW | CAX | H15 | 120.1° | 120.0° |
| NAU | CAA | CAC | 112.6° | 120.0° |
| CAA | NAU | H12 | 115.6° | 120.0° |
| CAA | CAC | CAF | 120.9° | 120.2° |
| CAA | CAC | CAD | 121.0° | 120.1° |
| CAZ | CAY | CAX | 120.8° | 120.0° |
| CAZ | CAY | H16 | 119.6° | 120.0° |
| CAY | CAZ | H17 | 120.1° | 120.0° |
| CAC | CAF | CAG | 119.0° | 119.9° |
| CAF | CAC | CAD | 118.0° | 119.7° |
| CAC | CAF | H9 | 120.5° | 120.1° |
| CAF | CAG | CAH | 122.4° | 120.2° |
| CAF | CAG | H8 | 118.8° | 120.0° |
| CAG | CAF | H9 | 120.5° | 120.1° |
| CAC | CAD | CAE | 123.0° | 119.9° |
| CAC | CAD | H11 | 118.5° | 120.0° |
| CAY | CAX | H15 | 120.1° | 120.0° |
| CAX | CAY | H16 | 119.6° | 120.0° |
| CAG | CAH | CAE | 119.3° | 120.2° |
| CAG | CAH | CAI | 119.6° | 119.9° |
| CAH | CAG | H8 | 118.8° | 119.9° |
| CAD | CAE | CAH | 118.3° | 120.2° |
| CAD | CAE | H10 | 120.8° | 120.0° |
| CAE | CAD | H11 | 118.5° | 120.1° |
| CAE | CAH | CAI | 121.1° | 119.9° |
| CAH | CAE | H10 | 120.9° | 119.9° |
| CAH | CAI | SAT | 113.8° | 109.5° |
| CAH | CAI | H6 | 108.4° | 109.5° |
| CAH | CAI | H7 | 108.4° | 109.4° |
| CAS | CAR | CAQ | 122.7° | 120.7° |
| CAR | CAS | CAJ | 116.0° | 120.6° |
| CAS | CAR | H4 | 118.6° | 119.7° |
| CAR | CAS | H5 | 122.0° | 119.7° |
| CAR | CAQ | NAP | 127.6° | 128.7° |
| CAR | CAQ | CAL | 119.4° | 118.5° |
| CAQ | CAR | H4 | 118.6° | 119.6° |
| CAQ | NAP | CAN | 116.3° | 117.9° |
| NAP | CAQ | CAL | 113.0° | 112.8° |
| NAP | CAN | NAO | 126.9° | 124.8° |
| NAP | CAN | SAM | 107.4° | 110.4° |
| CAI | SAT | CAJ | 107.7° | 103.0° |
| SAT | CAI | H6 | 108.4° | 109.5° |
| SAT | CAI | H7 | 108.4° | 109.5° |
| CAS | CAJ | CAK | 120.4° | 119.8° |
| CAS | CAJ | SAT | 122.9° | 120.1° |
| CAJ | CAS | H5 | 122.0° | 119.7° |
| CAQ | CAL | CAK | 121.5° | 120.4° |
| CAQ | CAL | SAM | 107.8° | 108.5° |
| NAO | CAN | SAM | 125.7° | 124.8° |
| CAN | NAO | H2 | 109.5° | 120.0° |
| CAN | NAO | H3 | 109.4° | 120.0° |
| CAN | SAM | CAL | 95.6° | 90.4° |
| CAK | CAJ | SAT | 116.7° | 120.1° |
| CAJ | CAK | CAL | 120.0° | 120.0° |
| CAJ | CAK | H1 | 120.0° | 120.0° |
| CAK | CAL | SAM | 130.7° | 131.2° |
| CAL | CAK | H1 | 120.0° | 120.0° |
| H2 | NAO | H3 | 109.5° | 120.0° |
| H6 | CAI | H7 | 109.4° | 109.5° |
| H13 | CAV | H14 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CBA | CBB | CAW | H19 | 180.0° | 179.4° |
| CBB | CBA | CAZ | H18 | 180.0° | 179.6° |
| CBA | CBB | CAW | CAV | 180.0° | 179.7° |
| CBA | CBB | CAW | CAX | 0.7° | 0.6° |
| CBB | CBA | CAZ | CAY | 0.2° | 0.3° |
| CBB | CBA | CAZ | H17 | 179.8° | 179.7° |
| CAW | CBB | CBA | CAZ | 0.6° | 0.6° |
| CBB | CAW | CAV | CAX | 179.3° | 179.7° |
| CBB | CAW | CAV | NAU | 129.1° | 90.3° |
| CBB | CAW | CAX | CAY | 0.4° | 0.3° |
| CBB | CAW | CAV | H13 | 111.1° | 149.7° |
| CBB | CAW | CAV | H14 | 9.3° | 29.7° |
| CBB | CAW | CAX | H15 | 179.6° | 179.7° |
| CAW | CBB | CBA | H18 | 179.4° | 179.7° |
| OAB | CAA | NAU | CAV | 2.6° | 0.0° |
| OAB | CAA | NAU | CAC | 173.1° | 180.0° |
| OAB | CAA | CAC | CAF | 31.8° | 0.1° |
| OAB | CAA | CAC | CAD | 151.3° | 179.8° |
| OAB | CAA | NAU | H12 | 177.4° | 180.0° |
| CBA | CAZ | CAY | H17 | 180.0° | 179.9° |
| CBA | CAZ | CAY | CAX | 0.1° | 0.0° |
| CBA | CAZ | CAY | H16 | 179.9° | 180.0° |
| CAZ | CBA | CBB | H19 | 179.4° | 180.0° |
| CAW | CAV | NAU | H13 | 119.8° | 120.0° |
| CAW | CAV | NAU | H14 | 119.8° | 120.0° |
| CAW | CAV | NAU | CAA | 158.8° | 180.0° |
| CAV | CAW | CAX | CAY | 179.8° | 180.0° |
| CAW | CAV | NAU | H12 | 21.2° | 0.0° |
| CAW | CAV | H13 | H14 | 120.6° | 120.0° |
| CAV | CAW | CAX | H15 | 0.2° | 0.0° |
| CAV | CAW | CBB | H19 | 0.0° | 0.3° |
| NAU | CAV | CAW | CAX | 50.2° | 90.0° |
| CAV | NAU | CAA | H12 | 180.0° | 180.0° |
| CAV | NAU | CAA | CAC | 175.7° | 180.0° |
| NAU | CAV | H13 | H14 | 120.6° | 120.0° |
| CAW | CAX | CAY | CAZ | 0.0° | 0.0° |
| CAW | CAX | CAY | H15 | 180.0° | 180.0° |
| CAX | CAW | CAV | H13 | 69.5° | 30.0° |
| CAX | CAW | CAV | H14 | 170.0° | 150.0° |
| CAW | CAX | CAY | H16 | 180.0° | 180.0° |
| CAX | CAW | CBB | H19 | 179.3° | 180.0° |
| NAU | CAA | CAC | CAF | 141.7° | 180.0° |
| NAU | CAA | CAC | CAD | 35.2° | 0.3° |
| CAA | NAU | CAV | H13 | 81.4° | 60.0° |
| CAA | NAU | CAV | H14 | 39.1° | 60.0° |
| CAA | CAC | CAF | CAD | 177.0° | 179.7° |
| CAA | CAC | CAF | CAG | 177.6° | 180.0° |
| CAA | CAC | CAD | CAE | 179.0° | 179.8° |
| CAA | CAC | CAF | H9 | 2.4° | 0.0° |
| CAA | CAC | CAD | H11 | 1.0° | 0.3° |
| CAC | CAA | NAU | H12 | 4.2° | 0.0° |
| CAZ | CAY | CAX | H16 | 180.0° | 180.0° |
| CAZ | CAY | CAX | H15 | 180.0° | 180.0° |
| CAY | CAZ | CBA | H18 | 179.8° | 180.0° |
| CAC | CAF | CAG | H9 | 180.0° | 180.0° |
| CAC | CAF | CAG | CAH | 0.5° | 0.1° |
| CAF | CAC | CAD | CAE | 2.0° | 0.5° |
| CAC | CAF | CAG | H8 | 179.5° | 180.0° |
| CAF | CAC | CAD | H11 | 178.0° | 180.0° |
| CAG | CAF | CAC | CAD | 0.6° | 0.3° |
| CAF | CAG | CAH | H8 | 180.0° | 179.9° |
| CAF | CAG | CAH | CAE | 0.3° | 0.1° |
| CAF | CAG | CAH | CAI | 179.6° | 179.8° |
| CAC | CAD | CAE | H11 | 180.0° | 179.6° |
| CAC | CAD | CAE | CAH | 2.3° | 0.4° |
| CAD | CAC | CAF | H9 | 179.3° | 179.7° |
| CAC | CAD | CAE | H10 | 177.7° | 179.5° |
| CAX | CAY | CAZ | H17 | 179.9° | 180.0° |
| CAG | CAH | CAE | CAD | 1.1° | 0.2° |
| CAG | CAH | CAE | CAI | 179.3° | 179.7° |
| CAG | CAH | CAI | SAT | 153.6° | 89.7° |
| CAG | CAH | CAI | H6 | 85.7° | 150.3° |
| CAG | CAH | CAI | H7 | 33.0° | 30.3° |
| CAH | CAG | CAF | H9 | 179.5° | 179.9° |
| CAG | CAH | CAE | H10 | 178.9° | 179.7° |
| CAD | CAE | CAH | H10 | 180.0° | 179.9° |
| CAD | CAE | CAH | CAI | 178.3° | 179.9° |
| CAE | CAH | CAI | SAT | 25.7° | 90.0° |
| CAE | CAH | CAI | H6 | 94.9° | 30.0° |
| CAE | CAH | CAI | H7 | 146.4° | 150.0° |
| CAE | CAH | CAG | H8 | 179.7° | 180.0° |
| CAH | CAE | CAD | H11 | 177.7° | 180.0° |
| CAH | CAI | SAT | H6 | 120.7° | 120.0° |
| CAH | CAI | SAT | H7 | 120.7° | 120.0° |
| CAH | CAI | SAT | CAJ | 80.0° | 180.0° |
| CAH | CAI | H6 | H7 | 118.0° | 120.0° |
| CAI | CAH | CAG | H8 | 0.4° | 0.3° |
| CAI | CAH | CAE | H10 | 1.7° | 0.0° |
| CAS | CAR | CAQ | H4 | 180.0° | 179.6° |
| CAS | CAR | CAQ | NAP | 179.6° | 180.0° |
| CAR | CAS | CAJ | H5 | 180.0° | 179.7° |
| CAS | CAR | CAQ | CAL | 0.8° | 0.0° |
| CAR | CAS | CAJ | CAK | 0.5° | 0.6° |
| CAR | CAS | CAJ | SAT | 179.7° | 180.0° |
| CAR | CAQ | NAP | CAL | 178.8° | 180.0° |
| CAR | CAQ | NAP | CAN | 179.9° | 180.0° |
| CAQ | CAR | CAS | CAJ | 0.6° | 0.3° |
| CAR | CAQ | CAL | CAK | 1.0° | 0.0° |
| CAR | CAQ | CAL | SAM | 179.1° | 180.0° |
| CAQ | CAR | CAS | H5 | 179.4° | 180.0° |
| CAQ | NAP | CAN | NAO | 176.9° | 179.9° |
| CAQ | NAP | CAN | SAM | 1.7° | 0.1° |
| NAP | CAQ | CAL | CAK | 179.9° | 180.0° |
| NAP | CAQ | CAL | SAM | 0.2° | 0.0° |
| NAP | CAQ | CAR | H4 | 0.4° | 0.4° |
| CAN | NAP | CAQ | CAL | 1.2° | 0.0° |
| NAP | CAN | NAO | SAM | 178.3° | 179.9° |
| NAP | CAN | SAM | CAL | 1.3° | 0.0° |
| NAP | CAN | NAO | H2 | 0.0° | 179.9° |
| NAP | CAN | NAO | H3 | 120.0° | 0.1° |
| CAI | SAT | CAJ | CAS | 40.2° | 0.0° |
| CAI | SAT | CAJ | CAK | 139.5° | 179.4° |
| SAT | CAI | H6 | H7 | 118.0° | 120.0° |
| CAS | CAJ | CAK | SAT | 179.7° | 179.5° |
| CAS | CAJ | CAK | CAL | 0.7° | 0.6° |
| CAS | CAJ | CAK | H1 | 179.4° | 179.8° |
| CAJ | CAS | CAR | H4 | 179.4° | 179.9° |
| CAQ | CAL | SAM | CAN | 0.7° | 0.0° |
| CAQ | CAL | CAK | CAJ | 0.9° | 0.3° |
| CAQ | CAL | CAK | SAM | 179.9° | 180.0° |
| CAQ | CAL | CAK | H1 | 179.2° | 180.0° |
| CAL | CAQ | CAR | H4 | 179.2° | 179.6° |
| NAO | CAN | SAM | CAL | 177.3° | 179.9° |
| CAN | NAO | H2 | H3 | 120.0° | 180.0° |
| CAN | SAM | CAL | CAK | 179.3° | 180.0° |
| SAM | CAN | NAO | H2 | 178.3° | 0.1° |
| SAM | CAN | NAO | H3 | 58.3° | 180.0° |
| CAJ | CAK | CAL | H1 | 180.0° | 179.6° |
| CAJ | CAK | CAL | SAM | 179.2° | 179.7° |
| CAK | CAJ | CAS | H5 | 179.5° | 179.7° |
| SAT | CAJ | CAK | CAL | 179.6° | 180.0° |
| SAT | CAJ | CAK | H1 | 0.4° | 0.3° |
| SAT | CAJ | CAS | H5 | 0.3° | 0.3° |
| CAJ | SAT | CAI | H6 | 159.3° | 60.0° |
| CAJ | SAT | CAI | H7 | 40.7° | 60.1° |
| SAM | CAL | CAK | H1 | 0.8° | 0.1° |
| H4 | CAR | CAS | H5 | 0.6° | 0.4° |
| H8 | CAG | CAF | H9 | 0.5° | 0.0° |
| H10 | CAE | CAD | H11 | 2.3° | 0.1° |
| H12 | NAU | CAV | H13 | 98.6° | 120.0° |
| H12 | NAU | CAV | H14 | 140.9° | 120.0° |
| H15 | CAX | CAY | H16 | 0.0° | 0.0° |
| H16 | CAY | CAZ | H17 | 0.1° | 0.1° |
| H17 | CAZ | CBA | H18 | 0.2° | 0.1° |
| H18 | CBA | CBB | H19 | 0.6° | 0.3° |
