CWW
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CBD | CBC | sing | 1.53Å | 1.53Å | |
| CBC | NBA | sing | 1.47Å | 1.47Å | |
| NBA | CAZ | sing | 1.35Å | 1.35Å | |
| OBB | CAZ | doub | 1.22Å | 1.23Å | |
| CAZ | NAY | sing | 1.35Å | 1.36Å | |
| BR | CAV | sing | 1.89Å | 1.90Å | |
| NAY | CAP | sing | 1.39Å | 1.35Å | |
| CAW | CAV | doub | 1.35Å | 1.33Å | Aromatic |
| CAW | NAS | sing | 1.36Å | 1.33Å | Aromatic |
| CAQ | CAP | doub | 1.39Å | 1.42Å | Aromatic |
| CAQ | CAR | sing | 1.39Å | 1.41Å | Aromatic |
| CAP | NAO | sing | 1.33Å | 1.35Å | Aromatic |
| CAV | CAU | sing | 1.40Å | 1.32Å | Aromatic |
| NAS | CAR | sing | 1.40Å | 1.33Å | |
| NAS | NAT | sing | 1.40Å | 1.36Å | Aromatic |
| CAR | CAM | doub | 1.41Å | 1.42Å | Aromatic |
| NAO | CAN | doub | 1.32Å | 1.40Å | Aromatic |
| CAU | NAT | doub | 1.31Å | 1.32Å | Aromatic |
| CAM | CAN | sing | 1.40Å | 1.38Å | Aromatic |
| CAM | CAK | sing | 1.47Å | 1.43Å | |
| OAL | CAK | doub | 1.22Å | 1.22Å | |
| CAK | NAH | sing | 1.35Å | 1.35Å | |
| NAH | CAE | sing | 1.40Å | 1.36Å | |
| CAE | CAF | doub | 1.39Å | 1.41Å | Aromatic |
| CAE | CAD | sing | 1.39Å | 1.40Å | Aromatic |
| CAF | CAA | sing | 1.39Å | 1.40Å | Aromatic |
| CAD | NAC | doub | 1.32Å | 1.42Å | Aromatic |
| CAA | CAB | doub | 1.38Å | 1.38Å | Aromatic |
| NAC | CAB | sing | 1.32Å | 1.41Å | Aromatic |
| CAW | H1 | sing | 1.08Å | 1.08Å | |
| CAU | H2 | sing | 1.08Å | 1.08Å | |
| CAQ | H3 | sing | 1.08Å | 1.08Å | |
| NAY | H4 | sing | 0.97Å | 1.00Å | |
| NBA | H5 | sing | 0.97Å | 1.00Å | |
| CBC | H6 | sing | 1.09Å | 1.10Å | |
| CBC | H7 | sing | 1.09Å | 1.10Å | |
| CBD | H8 | sing | 1.09Å | 1.10Å | |
| CBD | H9 | sing | 1.09Å | 1.10Å | |
| CBD | H10 | sing | 1.09Å | 1.10Å | |
| CAN | H11 | sing | 1.08Å | 1.08Å | |
| NAH | H12 | sing | 0.97Å | 1.00Å | |
| CAF | H13 | sing | 1.08Å | 1.08Å | |
| CAA | H14 | sing | 1.08Å | 1.08Å | |
| CAB | H15 | sing | 1.08Å | 1.08Å | |
| CAD | H16 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CBD | CBC | NBA | 108.5° | 109.5° |
| CBD | CBC | H6 | 109.7° | 109.5° |
| CBD | CBC | H7 | 109.7° | 109.5° |
| CBC | CBD | H8 | 109.5° | 109.5° |
| CBC | CBD | H9 | 109.5° | 109.5° |
| CBC | CBD | H10 | 109.5° | 109.5° |
| CBC | NBA | CAZ | 124.0° | 120.0° |
| CBC | NBA | H5 | 118.0° | 120.0° |
| NBA | CBC | H6 | 109.7° | 109.5° |
| NBA | CBC | H7 | 109.7° | 109.5° |
| NBA | CAZ | OBB | 121.1° | 120.0° |
| NBA | CAZ | NAY | 115.2° | 120.0° |
| CAZ | NBA | H5 | 118.0° | 120.0° |
| OBB | CAZ | NAY | 123.7° | 120.0° |
| CAZ | NAY | CAP | 125.7° | 120.0° |
| CAZ | NAY | H4 | 117.2° | 120.0° |
| BR | CAV | CAW | 126.4° | 126.0° |
| BR | CAV | CAU | 121.7° | 126.0° |
| NAY | CAP | CAQ | 129.5° | 119.5° |
| NAY | CAP | NAO | 112.5° | 119.5° |
| CAP | NAY | H4 | 117.2° | 120.0° |
| CAV | CAW | NAS | 106.0° | 107.6° |
| CAW | CAV | CAU | 111.9° | 108.0° |
| CAV | CAW | H1 | 127.0° | 126.2° |
| CAW | NAS | CAR | 133.5° | 126.1° |
| CAW | NAS | NAT | 107.1° | 107.8° |
| NAS | CAW | H1 | 127.0° | 126.2° |
| CAP | CAQ | CAR | 120.6° | 119.1° |
| CAQ | CAP | NAO | 118.1° | 121.0° |
| CAP | CAQ | H3 | 119.7° | 120.4° |
| CAQ | CAR | NAS | 119.7° | 120.8° |
| CAQ | CAR | CAM | 120.5° | 118.3° |
| CAR | CAQ | H3 | 119.7° | 120.5° |
| CAP | NAO | CAN | 122.1° | 121.9° |
| CAV | CAU | NAT | 105.5° | 108.4° |
| CAV | CAU | H2 | 127.2° | 125.8° |
| CAR | NAS | NAT | 119.4° | 126.1° |
| NAS | CAR | CAM | 119.7° | 120.9° |
| NAS | NAT | CAU | 109.5° | 108.3° |
| CAR | CAM | CAN | 116.7° | 118.9° |
| CAR | CAM | CAK | 124.3° | 120.5° |
| NAO | CAN | CAM | 122.0° | 120.8° |
| NAO | CAN | H11 | 119.0° | 119.6° |
| NAT | CAU | H2 | 127.2° | 125.8° |
| CAN | CAM | CAK | 118.9° | 120.6° |
| CAM | CAN | H11 | 119.0° | 119.6° |
| CAM | CAK | OAL | 117.7° | 120.0° |
| CAM | CAK | NAH | 119.0° | 119.9° |
| OAL | CAK | NAH | 122.9° | 120.0° |
| CAK | NAH | CAE | 124.0° | 120.0° |
| CAK | NAH | H12 | 118.0° | 120.1° |
| NAH | CAE | CAF | 125.4° | 120.5° |
| NAH | CAE | CAD | 116.9° | 120.5° |
| CAE | NAH | H12 | 118.0° | 120.0° |
| CAF | CAE | CAD | 117.6° | 119.0° |
| CAE | CAF | CAA | 122.0° | 118.3° |
| CAE | CAF | H13 | 119.0° | 120.8° |
| CAE | CAD | NAC | 121.1° | 120.7° |
| CAE | CAD | H16 | 119.5° | 119.7° |
| CAF | CAA | CAB | 119.8° | 119.3° |
| CAA | CAF | H13 | 119.0° | 120.9° |
| CAF | CAA | H14 | 120.1° | 120.3° |
| CAD | NAC | CAB | 119.6° | 121.8° |
| NAC | CAD | H16 | 119.5° | 119.7° |
| CAA | CAB | NAC | 119.9° | 120.9° |
| CAB | CAA | H14 | 120.1° | 120.4° |
| CAA | CAB | H15 | 120.1° | 119.5° |
| NAC | CAB | H15 | 120.0° | 119.6° |
| H6 | CBC | H7 | 109.4° | 109.5° |
| H8 | CBD | H9 | 109.5° | 109.5° |
| H8 | CBD | H10 | 109.5° | 109.5° |
| H9 | CBD | H10 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CBD | CBC | NBA | H6 | 119.9° | 120.0° |
| CBD | CBC | NBA | H7 | 119.9° | 120.0° |
| CBD | CBC | NBA | CAZ | 145.0° | 180.0° |
| CBD | CBC | NBA | H5 | 34.9° | 0.0° |
| CBD | CBC | H6 | H7 | 120.4° | 120.0° |
| CBC | CBD | H8 | H9 | 120.0° | 120.0° |
| CBC | CBD | H8 | H10 | 120.0° | 120.0° |
| CBC | CBD | H9 | H10 | 120.0° | 120.0° |
| CBC | NBA | CAZ | H5 | 180.0° | 180.0° |
| CBC | NBA | CAZ | OBB | 0.4° | 0.0° |
| CBC | NBA | CAZ | NAY | 178.6° | 180.0° |
| NBA | CBC | H6 | H7 | 120.4° | 120.0° |
| NBA | CBC | CBD | H8 | 180.0° | 180.0° |
| NBA | CBC | CBD | H9 | 60.0° | 60.0° |
| NBA | CBC | CBD | H10 | 60.0° | 60.0° |
| NBA | CAZ | OBB | NAY | 178.1° | 180.0° |
| NBA | CAZ | NAY | CAP | 176.8° | 174.8° |
| NBA | CAZ | NAY | H4 | 3.2° | 5.1° |
| CAZ | NBA | CBC | H6 | 95.1° | 60.0° |
| CAZ | NBA | CBC | H7 | 25.2° | 60.0° |
| OBB | CAZ | NAY | CAP | 1.4° | 5.1° |
| OBB | CAZ | NAY | H4 | 178.6° | 174.9° |
| OBB | CAZ | NBA | H5 | 179.6° | 180.0° |
| CAZ | NAY | CAP | H4 | 180.0° | 179.9° |
| CAZ | NAY | CAP | CAQ | 16.4° | 174.5° |
| CAZ | NAY | CAP | NAO | 163.9° | 5.5° |
| NAY | CAZ | NBA | H5 | 1.4° | 0.0° |
| BR | CAV | CAW | CAU | 180.0° | 180.0° |
| BR | CAV | CAW | NAS | 179.4° | 179.9° |
| BR | CAV | CAU | NAT | 179.6° | 180.0° |
| BR | CAV | CAW | H1 | 0.6° | 0.3° |
| BR | CAV | CAU | H2 | 0.4° | 0.1° |
| NAY | CAP | CAQ | NAO | 179.7° | 180.0° |
| NAY | CAP | CAQ | CAR | 179.0° | 180.0° |
| NAY | CAP | NAO | CAN | 179.6° | 180.0° |
| NAY | CAP | CAQ | H3 | 1.0° | 0.1° |
| CAV | CAW | NAS | H1 | 180.0° | 179.6° |
| CAV | CAW | NAS | CAR | 178.9° | 180.0° |
| CAV | CAW | NAS | NAT | 1.3° | 0.0° |
| CAW | CAV | CAU | NAT | 0.4° | 0.0° |
| CAW | CAV | CAU | H2 | 179.6° | 179.9° |
| CAW | NAS | CAR | CAQ | 43.6° | 55.8° |
| NAS | CAW | CAV | CAU | 0.5° | 0.0° |
| CAW | NAS | CAR | NAT | 177.4° | 180.0° |
| CAW | NAS | CAR | CAM | 141.1° | 123.9° |
| CAW | NAS | NAT | CAU | 1.6° | 0.0° |
| CAP | CAQ | CAR | H3 | 180.0° | 179.9° |
| CAP | CAQ | CAR | NAS | 177.3° | 180.0° |
| CAP | CAQ | CAR | CAM | 2.0° | 0.3° |
| CAQ | CAP | NAO | CAN | 0.1° | 0.1° |
| CAQ | CAP | NAY | H4 | 163.7° | 5.6° |
| CAR | CAQ | CAP | NAO | 0.7° | 0.0° |
| CAQ | CAR | NAS | CAM | 175.3° | 179.7° |
| CAQ | CAR | NAS | NAT | 133.8° | 124.3° |
| CAQ | CAR | CAM | CAN | 2.6° | 0.6° |
| CAQ | CAR | CAM | CAK | 178.5° | 179.7° |
| CAP | NAO | CAN | CAM | 0.8° | 0.4° |
| NAO | CAP | CAQ | H3 | 179.3° | 180.0° |
| NAO | CAP | NAY | H4 | 16.1° | 174.4° |
| CAP | NAO | CAN | H11 | 179.2° | 180.0° |
| CAV | CAU | NAT | NAS | 1.2° | 0.0° |
| CAV | CAU | NAT | H2 | 180.0° | 179.9° |
| CAU | CAV | CAW | H1 | 179.4° | 179.7° |
| CAR | NAS | NAT | CAU | 179.6° | 180.0° |
| NAS | CAR | CAM | CAN | 177.9° | 179.7° |
| NAS | CAR | CAM | CAK | 6.2° | 0.0° |
| CAR | NAS | CAW | H1 | 1.1° | 0.3° |
| NAS | CAR | CAQ | H3 | 2.7° | 0.1° |
| NAT | NAS | CAR | CAM | 41.5° | 56.1° |
| NAT | NAS | CAW | H1 | 178.7° | 179.7° |
| NAS | NAT | CAU | H2 | 178.8° | 180.0° |
| CAR | CAM | CAN | NAO | 2.0° | 0.6° |
| CAR | CAM | CAN | CAK | 176.2° | 179.7° |
| CAR | CAM | CAK | OAL | 54.1° | 6.1° |
| CAR | CAM | CAK | NAH | 131.7° | 173.9° |
| CAM | CAR | CAQ | H3 | 178.0° | 179.8° |
| CAR | CAM | CAN | H11 | 178.0° | 179.8° |
| NAO | CAN | CAM | H11 | 180.0° | 179.6° |
| NAO | CAN | CAM | CAK | 178.2° | 179.7° |
| CAN | CAM | CAK | OAL | 121.8° | 174.2° |
| CAN | CAM | CAK | NAH | 52.4° | 5.7° |
| CAM | CAK | OAL | NAH | 173.9° | 180.0° |
| CAM | CAK | NAH | CAE | 177.3° | 175.2° |
| CAK | CAM | CAN | H11 | 1.8° | 0.1° |
| CAM | CAK | NAH | H12 | 2.7° | 4.7° |
| OAL | CAK | NAH | CAE | 3.4° | 4.8° |
| OAL | CAK | NAH | H12 | 176.6° | 175.2° |
| CAK | NAH | CAE | H12 | 180.0° | 180.0° |
| CAK | NAH | CAE | CAF | 36.3° | 35.0° |
| CAK | NAH | CAE | CAD | 146.2° | 144.7° |
| NAH | CAE | CAF | CAD | 177.4° | 179.7° |
| NAH | CAE | CAF | CAA | 178.8° | 180.0° |
| NAH | CAE | CAD | NAC | 178.5° | 179.6° |
| NAH | CAE | CAF | H13 | 1.2° | 0.0° |
| NAH | CAE | CAD | H16 | 1.5° | 0.0° |
| CAE | CAF | CAA | H13 | 180.0° | 180.0° |
| CAF | CAE | CAD | NAC | 0.9° | 0.6° |
| CAE | CAF | CAA | CAB | 1.2° | 0.0° |
| CAF | CAE | NAH | H12 | 143.7° | 145.0° |
| CAE | CAF | CAA | H14 | 178.8° | 180.0° |
| CAF | CAE | CAD | H16 | 179.1° | 179.7° |
| CAD | CAE | CAF | CAA | 1.4° | 0.3° |
| CAE | CAD | NAC | H16 | 180.0° | 179.6° |
| CAE | CAD | NAC | CAB | 0.2° | 0.7° |
| CAD | CAE | NAH | H12 | 33.8° | 35.3° |
| CAD | CAE | CAF | H13 | 178.6° | 179.7° |
| CAF | CAA | CAB | H14 | 180.0° | 179.9° |
| CAF | CAA | CAB | NAC | 0.5° | 0.1° |
| CAF | CAA | CAB | H15 | 179.5° | 180.0° |
| CAD | NAC | CAB | CAA | 0.0° | 0.4° |
| CAD | NAC | CAB | H15 | 180.0° | 179.6° |
| CAA | CAB | NAC | H15 | 180.0° | 180.0° |
| CAB | CAA | CAF | H13 | 178.8° | 180.0° |
| NAC | CAB | CAA | H14 | 179.5° | 180.0° |
| CAB | NAC | CAD | H16 | 179.8° | 179.7° |
| H5 | NBA | CBC | H6 | 84.9° | 120.0° |
| H5 | NBA | CBC | H7 | 154.8° | 120.0° |
| H6 | CBC | CBD | H8 | 60.1° | 60.0° |
| H6 | CBC | CBD | H9 | 59.9° | NaN° |
| H6 | CBC | CBD | H10 | 179.8° | 60.0° |
| H7 | CBC | CBD | H8 | 60.1° | 60.0° |
| H7 | CBC | CBD | H9 | 179.8° | 60.0° |
| H7 | CBC | CBD | H10 | 59.9° | 180.0° |
| H8 | CBD | H9 | H10 | 120.0° | 120.0° |
| H13 | CAF | CAA | H14 | 1.2° | 0.1° |
| H14 | CAA | CAB | H15 | 0.5° | 0.0° |
