CHW
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OAA | CAB | sing | 1.36Å | 1.37Å | |
| CAB | CAC | doub | 1.38Å | 1.40Å | Aromatic |
| CAB | CAO | sing | 1.41Å | 1.40Å | Aromatic |
| CAC | CAD | sing | 1.51Å | 1.49Å | |
| CAC | CAP | sing | 1.39Å | 1.40Å | Aromatic |
| CAD | CAE | sing | 1.51Å | 1.37Å | |
| CAE | CAF | doub | 1.31Å | 1.38Å | |
| CAF | CAG | sing | 1.51Å | 1.52Å | |
| CAF | CAR | sing | 1.51Å | 1.53Å | |
| CAG | CAH | sing | 1.53Å | 1.39Å | |
| CAH | CAI | sing | 1.51Å | 1.39Å | |
| CAI | CAJ | doub | 1.31Å | 1.40Å | |
| CAJ | CAK | sing | 1.51Å | 1.54Å | |
| CAJ | CAS | sing | 1.51Å | 1.52Å | |
| CAK | OAL | sing | 1.43Å | 1.44Å | |
| CAK | CAT | sing | 1.53Å | 1.53Å | |
| OAM | CAN | doub | 1.21Å | 1.23Å | |
| CAN | CAO | sing | 1.47Å | 1.49Å | |
| CAO | CAU | doub | 1.40Å | 1.40Å | Aromatic |
| CAP | OAQ | sing | 1.36Å | 1.36Å | |
| CAP | CAV | doub | 1.39Å | 1.37Å | Aromatic |
| CAU | CAV | sing | 1.37Å | 1.38Å | Aromatic |
| CAU | CAX | sing | 1.51Å | 1.55Å | |
| CAV | CLAW | sing | 1.74Å | 1.71Å | |
| OAA | HOAA | sing | 0.97Å | 0.95Å | |
| CAD | HAD | sing | 1.09Å | 1.10Å | |
| CAD | HADA | sing | 1.09Å | 1.10Å | |
| CAE | HAE | sing | 1.08Å | 1.08Å | |
| CAG | HAG | sing | 1.09Å | 1.10Å | |
| CAG | HAGA | sing | 1.09Å | 1.10Å | |
| CAH | HAH | sing | 1.09Å | 1.10Å | |
| CAK | HAK | sing | 1.09Å | 1.10Å | |
| OAL | HOAL | sing | 0.97Å | 0.95Å | |
| CAN | HAN | sing | 1.08Å | 1.08Å | |
| OAQ | HOAQ | sing | 0.97Å | 0.95Å | |
| CAR | HAR | sing | 1.09Å | 1.10Å | |
| CAR | HARA | sing | 1.09Å | 1.10Å | |
| CAR | HARB | sing | 1.09Å | 1.10Å | |
| CAS | HAS | sing | 1.09Å | 1.10Å | |
| CAS | HASA | sing | 1.09Å | 1.10Å | |
| CAS | HASB | sing | 1.09Å | 1.10Å | |
| CAT | HAT | sing | 1.09Å | 1.10Å | |
| CAT | HATA | sing | 1.09Å | 1.10Å | |
| CAT | HATB | sing | 1.09Å | 1.10Å | |
| CAX | HAX | sing | 1.09Å | 1.10Å | |
| CAX | HAXA | sing | 1.09Å | 1.10Å | |
| CAX | HAXB | sing | 1.09Å | 1.10Å | |
| CAI | HAI | sing | 1.08Å | 1.08Å | |
| CAH | HAH1 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OAA | CAB | CAC | 118.1° | 120.2° |
| OAA | CAB | CAO | 122.3° | 120.2° |
| CAB | OAA | HOAA | 109.5° | 114.0° |
| CAC | CAB | CAO | 119.6° | 119.6° |
| CAB | CAC | CAD | 118.0° | 120.0° |
| CAB | CAC | CAP | 119.1° | 120.0° |
| CAB | CAO | CAN | 120.5° | 120.1° |
| CAB | CAO | CAU | 120.7° | 119.7° |
| CAD | CAC | CAP | 122.9° | 120.0° |
| CAC | CAD | CAE | 109.6° | 109.4° |
| CAC | CAD | HAD | 109.4° | 109.5° |
| CAC | CAD | HADA | 109.5° | 109.5° |
| CAC | CAP | OAQ | 122.6° | 119.9° |
| CAC | CAP | CAV | 120.4° | 120.4° |
| CAD | CAE | CAF | 127.3° | 119.9° |
| CAE | CAD | HAD | 109.4° | 109.5° |
| CAE | CAD | HADA | 109.4° | 109.5° |
| CAD | CAE | HAE | 116.4° | 120.0° |
| CAE | CAF | CAG | 116.4° | 120.0° |
| CAE | CAF | CAR | 120.0° | 120.1° |
| CAF | CAE | HAE | 116.4° | 120.1° |
| CAG | CAF | CAR | 123.5° | 120.0° |
| CAF | CAG | CAH | 108.8° | 109.5° |
| CAF | CAG | HAG | 109.7° | 109.5° |
| CAF | CAG | HAGA | 109.7° | 109.5° |
| CAF | CAR | HAR | 109.5° | 109.5° |
| CAF | CAR | HARA | 109.5° | 109.5° |
| CAF | CAR | HARB | 109.5° | 109.5° |
| CAG | CAH | CAI | 130.0° | 109.5° |
| CAH | CAG | HAG | 109.7° | 109.5° |
| CAH | CAG | HAGA | 109.7° | 109.4° |
| CAG | CAH | HAH | 103.1° | 109.5° |
| CAG | CAH | HAH1 | 103.1° | 109.5° |
| CAH | CAI | CAJ | 135.9° | 120.0° |
| CAI | CAH | HAH | 103.1° | 109.5° |
| CAH | CAI | HAI | 112.0° | 120.0° |
| CAI | CAH | HAH1 | 103.1° | 109.5° |
| CAI | CAJ | CAK | 117.2° | 120.0° |
| CAI | CAJ | CAS | 125.6° | 120.0° |
| CAJ | CAI | HAI | 112.0° | 120.0° |
| CAK | CAJ | CAS | 117.3° | 120.0° |
| CAJ | CAK | OAL | 111.5° | 109.5° |
| CAJ | CAK | CAT | 109.8° | 109.5° |
| CAJ | CAK | HAK | 107.4° | 109.5° |
| CAJ | CAS | HAS | 109.5° | 109.5° |
| CAJ | CAS | HASA | 109.5° | 109.5° |
| CAJ | CAS | HASB | 109.4° | 109.5° |
| OAL | CAK | CAT | 108.1° | 109.4° |
| OAL | CAK | HAK | 109.2° | 109.4° |
| CAK | OAL | HOAL | 109.5° | 113.9° |
| CAT | CAK | HAK | 110.9° | 109.5° |
| CAK | CAT | HAT | 109.5° | 109.5° |
| CAK | CAT | HATA | 109.4° | 109.5° |
| CAK | CAT | HATB | 109.5° | 109.5° |
| OAM | CAN | CAO | 116.3° | 120.0° |
| OAM | CAN | HAN | 121.8° | 120.0° |
| CAN | CAO | CAU | 118.8° | 120.1° |
| CAO | CAN | HAN | 121.8° | 120.0° |
| CAO | CAU | CAV | 118.3° | 120.0° |
| CAO | CAU | CAX | 123.6° | 120.0° |
| OAQ | CAP | CAV | 117.0° | 119.8° |
| CAP | OAQ | HOAQ | 109.5° | 114.0° |
| CAP | CAV | CAU | 121.9° | 120.4° |
| CAP | CAV | CLAW | 118.0° | 119.9° |
| CAV | CAU | CAX | 118.1° | 120.0° |
| CAU | CAV | CLAW | 120.1° | 119.8° |
| CAU | CAX | HAX | 109.5° | 109.4° |
| CAU | CAX | HAXA | 109.4° | 109.5° |
| CAU | CAX | HAXB | 109.5° | 109.4° |
| HAD | CAD | HADA | 109.5° | 109.5° |
| HAG | CAG | HAGA | 109.2° | 109.5° |
| HAH | CAH | HAH1 | 115.0° | 109.4° |
| HAR | CAR | HARA | 109.5° | 109.5° |
| HAR | CAR | HARB | 109.5° | 109.4° |
| HARA | CAR | HARB | 109.5° | 109.4° |
| HAS | CAS | HASA | 109.5° | 109.5° |
| HAS | CAS | HASB | 109.5° | 109.4° |
| HASA | CAS | HASB | 109.5° | 109.4° |
| HAT | CAT | HATA | 109.5° | 109.5° |
| HAT | CAT | HATB | 109.4° | 109.4° |
| HATA | CAT | HATB | 109.5° | 109.5° |
| HAX | CAX | HAXA | 109.5° | 109.6° |
| HAX | CAX | HAXB | 109.5° | 109.4° |
| HAXA | CAX | HAXB | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OAA | CAB | CAC | CAO | 179.3° | 179.8° |
| OAA | CAB | CAC | CAD | 1.7° | 0.0° |
| OAA | CAB | CAC | CAP | 179.8° | 180.0° |
| OAA | CAB | CAO | CAN | 1.5° | 0.0° |
| OAA | CAB | CAO | CAU | 179.8° | 180.0° |
| CAB | CAC | CAD | CAP | 178.0° | 180.0° |
| CAB | CAC | CAD | CAE | 144.5° | 90.0° |
| CAC | CAB | CAO | CAN | 177.8° | 179.8° |
| CAC | CAB | CAO | CAU | 0.6° | 0.3° |
| CAB | CAC | CAP | OAQ | 178.0° | 180.0° |
| CAB | CAC | CAP | CAV | 0.6° | 0.0° |
| CAC | CAB | OAA | HOAA | 180.0° | 90.0° |
| CAB | CAC | CAD | HAD | 95.5° | 150.0° |
| CAB | CAC | CAD | HADA | 24.5° | 30.0° |
| CAO | CAB | CAC | CAD | 179.0° | 179.7° |
| CAO | CAB | CAC | CAP | 0.9° | 0.3° |
| CAB | CAO | CAN | OAM | 115.1° | 0.0° |
| CAB | CAO | CAN | CAU | 178.4° | 180.0° |
| CAB | CAO | CAU | CAV | 0.1° | 0.0° |
| CAB | CAO | CAU | CAX | 179.8° | 180.0° |
| CAO | CAB | OAA | HOAA | 0.7° | 90.2° |
| CAB | CAO | CAN | HAN | 64.9° | 180.0° |
| CAC | CAD | CAE | HAD | 120.0° | 120.0° |
| CAC | CAD | CAE | HADA | 120.0° | 120.0° |
| CAC | CAD | CAE | CAF | 115.8° | 127.8° |
| CAD | CAC | CAP | OAQ | 0.0° | 0.0° |
| CAD | CAC | CAP | CAV | 178.6° | 180.0° |
| CAC | CAD | HAD | HADA | 120.0° | 120.0° |
| CAC | CAD | CAE | HAE | 64.2° | 52.3° |
| CAP | CAC | CAD | CAE | 37.5° | 90.0° |
| CAC | CAP | OAQ | CAV | 178.6° | 180.0° |
| CAC | CAP | CAV | CAU | 0.0° | 0.3° |
| CAC | CAP | CAV | CLAW | 179.3° | 179.9° |
| CAP | CAC | CAD | HAD | 82.5° | 30.0° |
| CAP | CAC | CAD | HADA | 157.5° | 150.0° |
| CAC | CAP | OAQ | HOAQ | 180.0° | 90.0° |
| CAD | CAE | CAF | HAE | 180.0° | 179.9° |
| CAD | CAE | CAF | CAG | 178.7° | 173.4° |
| CAD | CAE | CAF | CAR | 4.5° | 6.6° |
| CAE | CAD | HAD | HADA | 119.9° | 120.1° |
| CAE | CAF | CAG | CAR | 176.7° | 180.0° |
| CAE | CAF | CAG | CAH | 96.2° | 95.0° |
| CAF | CAE | CAD | HAD | 124.2° | 112.3° |
| CAF | CAE | CAD | HADA | 4.2° | 7.8° |
| CAE | CAF | CAG | HAG | 143.8° | 145.0° |
| CAE | CAF | CAG | HAGA | 23.8° | 24.9° |
| CAE | CAF | CAR | HAR | 180.0° | 84.3° |
| CAE | CAF | CAR | HARA | 60.0° | 155.7° |
| CAE | CAF | CAR | HARB | 60.0° | 35.7° |
| CAF | CAG | CAH | HAG | 120.0° | 120.0° |
| CAF | CAG | CAH | HAGA | 120.0° | 120.0° |
| CAF | CAG | CAH | CAI | 121.4° | 180.0° |
| CAG | CAF | CAE | HAE | 1.3° | 6.7° |
| CAF | CAG | HAG | HAGA | 120.3° | 120.0° |
| CAF | CAG | CAH | HAH | 1.4° | 59.9° |
| CAG | CAF | CAR | HAR | 3.5° | 95.7° |
| CAG | CAF | CAR | HARA | 123.5° | 24.3° |
| CAG | CAF | CAR | HARB | 116.5° | 144.3° |
| CAF | CAG | CAH | HAH1 | 118.6° | 60.0° |
| CAR | CAF | CAG | CAH | 87.2° | 85.0° |
| CAR | CAF | CAE | HAE | 175.5° | 173.3° |
| CAR | CAF | CAG | HAG | 32.8° | 35.0° |
| CAR | CAF | CAG | HAGA | 152.8° | 155.0° |
| CAF | CAR | HAR | HARA | 120.0° | 120.1° |
| CAF | CAR | HAR | HARB | 120.0° | 120.0° |
| CAF | CAR | HARA | HARB | 120.0° | 120.0° |
| CAG | CAH | CAI | HAH | 120.0° | 120.0° |
| CAG | CAH | CAI | HAH1 | 120.0° | 120.0° |
| CAG | CAH | CAI | CAJ | 6.1° | 119.1° |
| CAH | CAG | HAG | HAGA | 120.2° | 119.9° |
| CAG | CAH | HAH | HAH1 | 111.5° | 120.0° |
| CAG | CAH | CAI | HAI | 173.9° | 61.0° |
| CAH | CAI | CAJ | HAI | 180.0° | 180.0° |
| CAH | CAI | CAJ | CAK | 177.6° | 173.7° |
| CAH | CAI | CAJ | CAS | 2.6° | 6.2° |
| CAI | CAH | CAG | HAG | 118.6° | 60.0° |
| CAI | CAH | CAG | HAGA | 1.4° | 60.0° |
| CAI | CAH | HAH | HAH1 | 111.5° | 120.0° |
| CAI | CAJ | CAK | CAS | 179.8° | 179.9° |
| CAI | CAJ | CAK | OAL | 30.0° | 125.0° |
| CAI | CAJ | CAK | CAT | 89.7° | 115.0° |
| CAJ | CAI | CAH | HAH | 113.9° | 1.0° |
| CAI | CAJ | CAK | HAK | 149.6° | 5.0° |
| CAI | CAJ | CAS | HAS | 180.0° | 84.4° |
| CAI | CAJ | CAS | HASA | 60.0° | 155.6° |
| CAI | CAJ | CAS | HASB | 60.0° | 35.6° |
| CAJ | CAI | CAH | HAH1 | 126.1° | 120.9° |
| CAJ | CAK | OAL | CAT | 120.8° | 120.0° |
| CAJ | CAK | OAL | HAK | 118.5° | 120.0° |
| CAJ | CAK | CAT | HAK | 118.5° | 120.0° |
| CAJ | CAK | OAL | HOAL | 180.0° | 60.0° |
| CAK | CAJ | CAS | HAS | 0.2° | 95.6° |
| CAK | CAJ | CAS | HASA | 119.8° | 24.5° |
| CAK | CAJ | CAS | HASB | 120.2° | 144.4° |
| CAJ | CAK | CAT | HAT | 180.0° | 60.0° |
| CAJ | CAK | CAT | HATA | 60.0° | 180.0° |
| CAJ | CAK | CAT | HATB | 60.0° | 60.0° |
| CAK | CAJ | CAI | HAI | 2.4° | 6.3° |
| CAS | CAJ | CAK | OAL | 150.2° | 55.1° |
| CAS | CAJ | CAK | CAT | 90.1° | 64.9° |
| CAS | CAJ | CAK | HAK | 30.6° | 175.0° |
| CAJ | CAS | HAS | HASA | 120.0° | 120.1° |
| CAJ | CAS | HAS | HASB | 120.0° | 120.0° |
| CAJ | CAS | HASA | HASB | 120.0° | 120.0° |
| CAS | CAJ | CAI | HAI | 177.4° | 173.8° |
| OAL | CAK | CAT | HAK | 119.6° | 119.9° |
| OAL | CAK | CAT | HAT | 58.2° | 180.0° |
| OAL | CAK | CAT | HATA | 61.8° | 60.0° |
| OAL | CAK | CAT | HATB | 178.2° | 60.1° |
| CAT | CAK | OAL | HOAL | 59.2° | 60.0° |
| CAK | CAT | HAT | HATA | 120.0° | 120.0° |
| CAK | CAT | HAT | HATB | 120.0° | 120.0° |
| CAK | CAT | HATA | HATB | 120.0° | 120.0° |
| OAM | CAN | CAO | HAN | 180.0° | 180.0° |
| OAM | CAN | CAO | CAU | 63.3° | 180.0° |
| CAN | CAO | CAU | CAV | 178.4° | 180.0° |
| CAN | CAO | CAU | CAX | 1.4° | 0.0° |
| CAO | CAU | CAV | CAP | 0.4° | 0.3° |
| CAO | CAU | CAV | CAX | 179.9° | 180.0° |
| CAO | CAU | CAV | CLAW | 178.9° | 179.9° |
| CAU | CAO | CAN | HAN | 116.7° | 0.0° |
| CAO | CAU | CAX | HAX | 90.1° | 90.0° |
| CAO | CAU | CAX | HAXA | 149.9° | 150.0° |
| CAO | CAU | CAX | HAXB | 29.9° | 30.0° |
| OAQ | CAP | CAV | CAU | 178.7° | 179.7° |
| OAQ | CAP | CAV | CLAW | 0.6° | 0.0° |
| CAP | CAV | CAU | CLAW | 179.3° | 179.7° |
| CAP | CAV | CAU | CAX | 179.5° | 179.7° |
| CAV | CAP | OAQ | HOAQ | 1.4° | 90.0° |
| CAV | CAU | CAX | HAX | 90.1° | 90.1° |
| CAV | CAU | CAX | HAXA | 29.9° | 30.0° |
| CAV | CAU | CAX | HAXB | 149.9° | 150.0° |
| CAX | CAU | CAV | CLAW | 1.2° | 0.0° |
| CAU | CAX | HAX | HAXA | 120.0° | 120.0° |
| CAU | CAX | HAX | HAXB | 120.0° | 119.9° |
| CAU | CAX | HAXA | HAXB | 120.0° | 120.0° |
| HAD | CAD | CAE | HAE | 55.8° | 67.6° |
| HADA | CAD | CAE | HAE | 175.8° | 172.3° |
| HAG | CAG | CAH | HAH | 121.4° | 180.0° |
| HAG | CAG | CAH | HAH1 | 1.4° | 60.0° |
| HAGA | CAG | CAH | HAH | 118.6° | 60.1° |
| HAGA | CAG | CAH | HAH1 | 121.4° | 180.0° |
| HAH | CAH | CAI | HAI | 66.1° | 179.0° |
| HAK | CAK | OAL | HOAL | 61.5° | 180.0° |
| HAK | CAK | CAT | HAT | 61.4° | 60.0° |
| HAK | CAK | CAT | HATA | 178.6° | 60.0° |
| HAK | CAK | CAT | HATB | 58.5° | 180.0° |
| HAR | CAR | HARA | HARB | 120.0° | 119.9° |
| HAS | CAS | HASA | HASB | 120.0° | 119.9° |
| HAT | CAT | HATA | HATB | 120.0° | 120.0° |
| HAX | CAX | HAXA | HAXB | 120.0° | 120.0° |
| HAI | CAI | CAH | HAH1 | 53.9° | 59.1° |
