W0I
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OAB | CAQ | sing | 1.36Å | 1.34Å | |
| CAE | CAG | doub | 1.38Å | 1.40Å | Aromatic |
| CAE | CAD | sing | 1.38Å | 1.40Å | Aromatic |
| CAG | CAS | sing | 1.39Å | 1.40Å | Aromatic |
| CAD | CAF | doub | 1.38Å | 1.40Å | Aromatic |
| CAQ | CAI | doub | 1.39Å | 1.38Å | Aromatic |
| CAQ | CAU | sing | 1.39Å | 1.40Å | Aromatic |
| CAS | OAP | sing | 1.36Å | 1.37Å | |
| CAS | CAH | doub | 1.39Å | 1.40Å | Aromatic |
| OAP | CAU | sing | 1.36Å | 1.36Å | |
| CAF | CAH | sing | 1.38Å | 1.40Å | Aromatic |
| CAI | CAT | sing | 1.38Å | 1.41Å | Aromatic |
| CAU | CAJ | doub | 1.39Å | 1.39Å | Aromatic |
| CAT | CAO | sing | 1.51Å | 1.53Å | |
| CAT | CAR | doub | 1.38Å | 1.39Å | Aromatic |
| CAJ | CAR | sing | 1.39Å | 1.38Å | Aromatic |
| CAO | CAN | sing | 1.53Å | 1.53Å | |
| CAR | FAC | sing | 1.35Å | 1.33Å | |
| CAN | CAM | sing | 1.53Å | 1.51Å | |
| CAK | CAA | sing | 1.53Å | 1.54Å | |
| CAK | CAL | sing | 1.53Å | 1.52Å | |
| CAM | CAL | sing | 1.53Å | 1.55Å | |
| CAA | H1AA | sing | 1.09Å | 1.10Å | |
| CAA | H2AA | sing | 1.09Å | 1.10Å | |
| CAA | H3AA | sing | 1.09Å | 1.10Å | |
| OAB | HOAB | sing | 0.97Å | 0.95Å | |
| CAD | HAD | sing | 1.08Å | 1.08Å | |
| CAE | HAE | sing | 1.08Å | 1.08Å | |
| CAF | HAF | sing | 1.08Å | 1.08Å | |
| CAG | HAG | sing | 1.08Å | 1.08Å | |
| CAH | HAH | sing | 1.08Å | 1.08Å | |
| CAI | HAI | sing | 1.08Å | 1.08Å | |
| CAJ | HAJ | sing | 1.08Å | 1.08Å | |
| CAK | H1AK | sing | 1.09Å | 1.10Å | |
| CAK | H2AK | sing | 1.09Å | 1.10Å | |
| CAL | H1AL | sing | 1.09Å | 1.10Å | |
| CAL | H2AL | sing | 1.09Å | 1.10Å | |
| CAM | H1AM | sing | 1.09Å | 1.10Å | |
| CAM | H2AM | sing | 1.09Å | 1.10Å | |
| CAN | H1AN | sing | 1.09Å | 1.10Å | |
| CAN | H2AN | sing | 1.09Å | 1.10Å | |
| CAO | H1AO | sing | 1.09Å | 1.10Å | |
| CAO | H2AO | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OAB | CAQ | CAI | 120.8° | 120.1° |
| OAB | CAQ | CAU | 118.2° | 120.0° |
| CAQ | OAB | HOAB | 109.5° | 114.0° |
| CAG | CAE | CAD | 123.0° | 120.0° |
| CAE | CAG | CAS | 117.3° | 120.0° |
| CAG | CAE | HAE | 118.5° | 120.0° |
| CAE | CAG | HAG | 121.4° | 120.0° |
| CAE | CAD | CAF | 118.9° | 120.1° |
| CAE | CAD | HAD | 120.5° | 119.9° |
| CAD | CAE | HAE | 118.5° | 119.9° |
| CAG | CAS | OAP | 117.5° | 120.1° |
| CAG | CAS | CAH | 120.3° | 119.9° |
| CAS | CAG | HAG | 121.4° | 120.0° |
| CAD | CAF | CAH | 118.8° | 120.1° |
| CAF | CAD | HAD | 120.6° | 120.0° |
| CAD | CAF | HAF | 120.6° | 119.9° |
| CAI | CAQ | CAU | 121.0° | 119.9° |
| CAQ | CAI | CAT | 118.6° | 120.0° |
| CAQ | CAI | HAI | 120.7° | 120.0° |
| CAQ | CAU | OAP | 120.6° | 120.1° |
| CAQ | CAU | CAJ | 120.9° | 119.9° |
| OAP | CAS | CAH | 122.1° | 120.1° |
| CAS | OAP | CAU | 119.5° | 118.0° |
| CAS | CAH | CAF | 121.6° | 119.9° |
| CAS | CAH | HAH | 119.2° | 120.0° |
| OAP | CAU | CAJ | 118.6° | 120.0° |
| CAH | CAF | HAF | 120.6° | 120.0° |
| CAF | CAH | HAH | 119.2° | 120.1° |
| CAI | CAT | CAO | 118.9° | 120.0° |
| CAI | CAT | CAR | 119.4° | 120.1° |
| CAT | CAI | HAI | 120.7° | 120.0° |
| CAU | CAJ | CAR | 117.8° | 120.0° |
| CAU | CAJ | HAJ | 121.1° | 120.1° |
| CAO | CAT | CAR | 121.7° | 119.9° |
| CAT | CAO | CAN | 107.2° | 109.5° |
| CAT | CAO | H1AO | 110.0° | 109.4° |
| CAT | CAO | H2AO | 110.1° | 109.5° |
| CAT | CAR | CAJ | 122.3° | 120.1° |
| CAT | CAR | FAC | 120.0° | 120.0° |
| CAJ | CAR | FAC | 117.7° | 120.0° |
| CAR | CAJ | HAJ | 121.1° | 120.0° |
| CAO | CAN | CAM | 109.0° | 109.5° |
| CAO | CAN | H1AN | 109.6° | 109.4° |
| CAO | CAN | H2AN | 109.6° | 109.5° |
| CAN | CAO | H1AO | 110.0° | 109.5° |
| CAN | CAO | H2AO | 110.0° | 109.5° |
| CAN | CAM | CAL | 114.4° | 109.5° |
| CAN | CAM | H1AM | 108.2° | 109.4° |
| CAN | CAM | H2AM | 108.2° | 109.5° |
| CAM | CAN | H1AN | 109.6° | 109.5° |
| CAM | CAN | H2AN | 109.6° | 109.5° |
| CAA | CAK | CAL | 107.8° | 109.5° |
| CAK | CAA | H1AA | 109.5° | 109.5° |
| CAK | CAA | H2AA | 109.5° | 109.5° |
| CAK | CAA | H3AA | 109.5° | 109.5° |
| CAA | CAK | H1AK | 109.9° | 109.4° |
| CAA | CAK | H2AK | 109.9° | 109.5° |
| CAK | CAL | CAM | 118.4° | 109.5° |
| CAL | CAK | H1AK | 109.9° | 109.5° |
| CAL | CAK | H2AK | 109.9° | 109.5° |
| CAK | CAL | H1AL | 107.2° | 109.4° |
| CAK | CAL | H2AL | 107.2° | 109.5° |
| CAM | CAL | H1AL | 107.2° | 109.5° |
| CAM | CAL | H2AL | 107.2° | 109.5° |
| CAL | CAM | H1AM | 108.2° | 109.5° |
| CAL | CAM | H2AM | 108.2° | 109.5° |
| H1AA | CAA | H2AA | 109.4° | 109.4° |
| H1AA | CAA | H3AA | 109.5° | 109.5° |
| H2AA | CAA | H3AA | 109.5° | 109.4° |
| H1AK | CAK | H2AK | 109.5° | 109.5° |
| H1AL | CAL | H2AL | 109.5° | 109.5° |
| H1AM | CAM | H2AM | 109.4° | 109.5° |
| H1AN | CAN | H2AN | 109.5° | 109.4° |
| H1AO | CAO | H2AO | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OAB | CAQ | CAI | CAU | 178.1° | 180.0° |
| OAB | CAQ | CAU | OAP | 0.1° | 0.0° |
| OAB | CAQ | CAI | CAT | 179.3° | 180.0° |
| OAB | CAQ | CAU | CAJ | 179.0° | 180.0° |
| OAB | CAQ | CAI | HAI | 0.7° | 0.3° |
| CAG | CAE | CAD | HAE | 180.0° | 179.9° |
| CAE | CAG | CAS | HAG | 180.0° | 179.9° |
| CAG | CAE | CAD | CAF | 2.4° | 0.1° |
| CAE | CAG | CAS | OAP | 178.8° | 180.0° |
| CAE | CAG | CAS | CAH | 4.3° | 0.2° |
| CAG | CAE | CAD | HAD | 177.6° | 179.8° |
| CAD | CAE | CAG | CAS | 4.8° | 0.0° |
| CAE | CAD | CAF | HAD | 180.0° | 179.7° |
| CAE | CAD | CAF | CAH | 0.5° | 0.3° |
| CAE | CAD | CAF | HAF | 179.5° | 179.7° |
| CAD | CAE | CAG | HAG | 175.2° | 179.9° |
| CAG | CAS | OAP | CAH | 176.8° | 179.8° |
| CAG | CAS | OAP | CAU | 178.6° | 90.0° |
| CAG | CAS | CAH | CAF | 1.6° | 0.5° |
| CAS | CAG | CAE | HAE | 175.2° | 180.0° |
| CAG | CAS | CAH | HAH | 178.4° | 179.9° |
| CAD | CAF | CAH | CAS | 0.9° | 0.5° |
| CAD | CAF | CAH | HAF | 180.0° | 179.9° |
| CAF | CAD | CAE | HAE | 177.6° | 180.0° |
| CAD | CAF | CAH | HAH | 179.1° | 180.0° |
| CAI | CAQ | CAU | OAP | 178.3° | 180.0° |
| CAQ | CAI | CAT | HAI | 180.0° | 179.7° |
| CAI | CAQ | CAU | CAJ | 2.8° | 0.0° |
| CAQ | CAI | CAT | CAO | 178.1° | 179.8° |
| CAQ | CAI | CAT | CAR | 0.3° | 0.3° |
| CAI | CAQ | OAB | HOAB | 180.0° | 90.0° |
| CAQ | CAU | OAP | CAS | 87.8° | 179.4° |
| CAQ | CAU | OAP | CAJ | 178.9° | 179.9° |
| CAU | CAQ | CAI | CAT | 1.2° | 0.0° |
| CAQ | CAU | CAJ | CAR | 3.5° | 0.2° |
| CAU | CAQ | OAB | HOAB | 1.8° | 90.0° |
| CAU | CAQ | CAI | HAI | 178.8° | 179.7° |
| CAQ | CAU | CAJ | HAJ | 176.5° | 179.8° |
| OAP | CAS | CAH | CAF | 178.3° | 179.7° |
| CAS | OAP | CAU | CAJ | 93.3° | 0.5° |
| OAP | CAS | CAG | HAG | 1.2° | 0.1° |
| OAP | CAS | CAH | HAH | 1.7° | 0.3° |
| CAH | CAS | OAP | CAU | 1.7° | 90.2° |
| CAS | CAH | CAF | HAH | 180.0° | 179.5° |
| CAS | CAH | CAF | HAF | 179.1° | 179.5° |
| CAH | CAS | CAG | HAG | 175.7° | 179.7° |
| OAP | CAU | CAJ | CAR | 177.6° | 179.7° |
| OAP | CAU | CAJ | HAJ | 2.4° | 0.2° |
| CAH | CAF | CAD | HAD | 179.5° | 180.0° |
| CAI | CAT | CAO | CAR | 178.3° | 180.0° |
| CAI | CAT | CAR | CAJ | 1.0° | 0.5° |
| CAI | CAT | CAO | CAN | 94.0° | 99.9° |
| CAI | CAT | CAR | FAC | 178.3° | 179.4° |
| CAI | CAT | CAO | H1AO | 25.6° | 20.0° |
| CAI | CAT | CAO | H2AO | 146.3° | 140.0° |
| CAU | CAJ | CAR | CAT | 2.6° | 0.5° |
| CAU | CAJ | CAR | HAJ | 180.0° | 179.6° |
| CAU | CAJ | CAR | FAC | 176.7° | 179.5° |
| CAO | CAT | CAR | CAJ | 177.3° | 179.5° |
| CAT | CAO | CAN | H1AO | 119.6° | 119.9° |
| CAT | CAO | CAN | H2AO | 119.7° | 120.0° |
| CAO | CAT | CAR | FAC | 3.4° | 0.5° |
| CAT | CAO | CAN | CAM | 159.4° | 180.0° |
| CAO | CAT | CAI | HAI | 1.9° | 0.1° |
| CAT | CAO | CAN | H1AN | 39.5° | 60.0° |
| CAT | CAO | CAN | H2AN | 80.7° | 59.9° |
| CAT | CAO | H1AO | H2AO | 121.0° | 120.0° |
| CAT | CAR | CAJ | FAC | 179.3° | 179.9° |
| CAR | CAT | CAO | CAN | 87.7° | 80.0° |
| CAR | CAT | CAI | HAI | 179.8° | 180.0° |
| CAT | CAR | CAJ | HAJ | 177.4° | 180.0° |
| CAR | CAT | CAO | H1AO | 152.7° | 160.0° |
| CAR | CAT | CAO | H2AO | 32.0° | 40.0° |
| CAO | CAN | CAM | H1AN | 119.9° | 119.9° |
| CAO | CAN | CAM | H2AN | 119.9° | 120.1° |
| CAO | CAN | CAM | CAL | 172.4° | 180.0° |
| CAO | CAN | CAM | H1AM | 51.7° | 60.0° |
| CAO | CAN | CAM | H2AM | 66.8° | 59.9° |
| CAO | CAN | H1AN | H2AN | 120.2° | 120.0° |
| CAN | CAO | H1AO | H2AO | 121.0° | 120.1° |
| FAC | CAR | CAJ | HAJ | 3.3° | 0.1° |
| CAN | CAM | CAL | CAK | 25.2° | 180.0° |
| CAN | CAM | CAL | H1AM | 120.7° | 119.9° |
| CAN | CAM | CAL | H2AM | 120.7° | 120.0° |
| CAN | CAM | CAL | H1AL | 96.1° | 60.0° |
| CAN | CAM | CAL | H2AL | 146.4° | 60.0° |
| CAN | CAM | H1AM | H2AM | 117.7° | 120.0° |
| CAM | CAN | H1AN | H2AN | 120.2° | 120.1° |
| CAM | CAN | CAO | H1AO | 81.0° | 60.1° |
| CAM | CAN | CAO | H2AO | 39.7° | 60.0° |
| CAA | CAK | CAL | H1AK | 119.7° | 120.0° |
| CAA | CAK | CAL | H2AK | 119.7° | 120.0° |
| CAA | CAK | CAL | CAM | 168.7° | 180.0° |
| CAK | CAA | H1AA | H2AA | 120.0° | 120.1° |
| CAK | CAA | H1AA | H3AA | 120.0° | 120.0° |
| CAK | CAA | H2AA | H3AA | 120.0° | 120.0° |
| CAA | CAK | H1AK | H2AK | 120.8° | 120.0° |
| CAA | CAK | CAL | H1AL | 47.5° | 60.0° |
| CAA | CAK | CAL | H2AL | 70.0° | 60.0° |
| CAK | CAL | CAM | H1AL | 121.2° | 120.0° |
| CAK | CAL | CAM | H2AL | 121.3° | 120.0° |
| CAL | CAK | CAA | H1AA | 180.0° | 180.0° |
| CAL | CAK | CAA | H2AA | 60.0° | 60.0° |
| CAL | CAK | CAA | H3AA | 60.0° | 60.0° |
| CAL | CAK | H1AK | H2AK | 120.8° | 120.1° |
| CAK | CAL | H1AL | H2AL | 116.0° | 120.0° |
| CAK | CAL | CAM | H1AM | 95.6° | 60.1° |
| CAK | CAL | CAM | H2AM | 145.9° | 60.0° |
| CAM | CAL | CAK | H1AK | 71.5° | 60.0° |
| CAM | CAL | CAK | H2AK | 49.0° | 60.0° |
| CAM | CAL | H1AL | H2AL | 116.0° | 120.0° |
| CAL | CAM | H1AM | H2AM | 117.7° | 120.1° |
| CAL | CAM | CAN | H1AN | 67.6° | 60.0° |
| CAL | CAM | CAN | H2AN | 52.5° | 60.0° |
| H1AA | CAA | H2AA | H3AA | 120.0° | 119.9° |
| H1AA | CAA | CAK | H1AK | 60.2° | 60.0° |
| H1AA | CAA | CAK | H2AK | 60.3° | 59.9° |
| H2AA | CAA | CAK | H1AK | 59.8° | 60.0° |
| H2AA | CAA | CAK | H2AK | 179.7° | 180.0° |
| H3AA | CAA | CAK | H1AK | 179.8° | 179.9° |
| H3AA | CAA | CAK | H2AK | 59.7° | 60.1° |
| HAD | CAD | CAE | HAE | 2.4° | 0.3° |
| HAD | CAD | CAF | HAF | 0.5° | 0.0° |
| HAE | CAE | CAG | HAG | 4.8° | 0.0° |
| HAF | CAF | CAH | HAH | 0.9° | 0.1° |
| H1AK | CAK | CAL | H1AL | 167.2° | 180.0° |
| H1AK | CAK | CAL | H2AL | 49.7° | 59.9° |
| H2AK | CAK | CAL | H1AL | 72.2° | 60.0° |
| H2AK | CAK | CAL | H2AL | 170.3° | 180.0° |
| H1AL | CAL | CAM | H1AM | 143.2° | 180.0° |
| H1AL | CAL | CAM | H2AM | 24.7° | 60.0° |
| H2AL | CAL | CAM | H1AM | 25.7° | 59.9° |
| H2AL | CAL | CAM | H2AM | 92.8° | 180.0° |
| H1AM | CAM | CAN | H1AN | 171.6° | 180.0° |
| H1AM | CAM | CAN | H2AN | 68.2° | 60.0° |
| H2AM | CAM | CAN | H1AN | 53.1° | 60.0° |
| H2AM | CAM | CAN | H2AN | 173.3° | 180.0° |
| H1AN | CAN | CAO | H1AO | 159.1° | 179.9° |
| H1AN | CAN | CAO | H2AO | 80.2° | 60.0° |
| H2AN | CAN | CAO | H1AO | 38.9° | 60.0° |
| H2AN | CAN | CAO | H2AO | 159.6° | 180.0° |
