15W
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAS | OAR | sing | 1.43Å | 1.42Å | |
| OAR | CAP | sing | 1.36Å | 1.37Å | |
| CAP | CAL | doub | 1.39Å | 1.39Å | Aromatic |
| CAP | CAO | sing | 1.39Å | 1.40Å | Aromatic |
| CAL | CAM | sing | 1.38Å | 1.38Å | Aromatic |
| CAO | CAN | doub | 1.38Å | 1.40Å | Aromatic |
| CAM | CAK | doub | 1.40Å | 1.39Å | Aromatic |
| CAN | CAK | sing | 1.40Å | 1.41Å | Aromatic |
| CAK | CAI | sing | 1.47Å | 1.41Å | |
| CAI | OAJ | sing | 1.34Å | 1.36Å | |
| CAI | CAH | doub | 1.36Å | 1.40Å | |
| OAJ | CAF | sing | 1.35Å | 1.37Å | |
| CAH | CAG | sing | 1.41Å | 1.39Å | |
| CAF | CAA | doub | 1.39Å | 1.39Å | Aromatic |
| CAF | CAE | sing | 1.41Å | 1.41Å | Aromatic |
| CAA | CAB | sing | 1.39Å | 1.40Å | Aromatic |
| CAG | CAE | sing | 1.48Å | 1.41Å | |
| CAG | OAQ | doub | 1.22Å | 1.24Å | |
| CAE | CAD | doub | 1.39Å | 1.40Å | Aromatic |
| CAB | OAT | sing | 1.36Å | 1.36Å | |
| CAB | CAC | doub | 1.39Å | 1.39Å | Aromatic |
| CAD | CAC | sing | 1.37Å | 1.39Å | Aromatic |
| CAS | H1 | sing | 1.09Å | 1.10Å | |
| CAS | H2 | sing | 1.09Å | 1.10Å | |
| CAS | H3 | sing | 1.09Å | 1.10Å | |
| CAO | H4 | sing | 1.08Å | 1.08Å | |
| CAN | H5 | sing | 1.08Å | 1.08Å | |
| CAL | H6 | sing | 1.08Å | 1.08Å | |
| CAM | H7 | sing | 1.08Å | 1.08Å | |
| CAA | H8 | sing | 1.08Å | 1.08Å | |
| OAT | H9 | sing | 0.97Å | 0.95Å | |
| CAC | H10 | sing | 1.08Å | 1.08Å | |
| CAD | H11 | sing | 1.08Å | 1.08Å | |
| CAH | H12 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAS | OAR | CAP | 112.4° | 117.0° |
| OAR | CAS | H1 | 109.5° | 109.5° |
| OAR | CAS | H2 | 109.5° | 109.4° |
| OAR | CAS | H3 | 109.5° | 109.4° |
| OAR | CAP | CAL | 118.1° | 119.9° |
| OAR | CAP | CAO | 123.6° | 119.9° |
| CAL | CAP | CAO | 118.2° | 120.2° |
| CAP | CAL | CAM | 121.6° | 120.1° |
| CAP | CAL | H6 | 119.2° | 120.0° |
| CAP | CAO | CAN | 120.2° | 120.1° |
| CAP | CAO | H4 | 119.9° | 120.0° |
| CAL | CAM | CAK | 121.2° | 119.9° |
| CAM | CAL | H6 | 119.2° | 119.9° |
| CAL | CAM | H7 | 119.4° | 120.1° |
| CAO | CAN | CAK | 121.1° | 119.9° |
| CAN | CAO | H4 | 119.9° | 119.9° |
| CAO | CAN | H5 | 119.4° | 120.1° |
| CAM | CAK | CAN | 117.7° | 119.8° |
| CAM | CAK | CAI | 119.1° | 120.1° |
| CAK | CAM | H7 | 119.4° | 120.1° |
| CAN | CAK | CAI | 123.1° | 120.1° |
| CAK | CAN | H5 | 119.5° | 120.0° |
| CAK | CAI | OAJ | 115.1° | 118.7° |
| CAK | CAI | CAH | 124.7° | 118.8° |
| OAJ | CAI | CAH | 120.2° | 122.5° |
| CAI | OAJ | CAF | 121.0° | 122.3° |
| CAI | CAH | CAG | 120.9° | 119.6° |
| CAI | CAH | H12 | 119.6° | 120.2° |
| OAJ | CAF | CAA | 119.3° | 120.9° |
| OAJ | CAF | CAE | 119.8° | 119.8° |
| CAH | CAG | CAE | 117.8° | 117.4° |
| CAH | CAG | OAQ | 119.3° | 121.3° |
| CAG | CAH | H12 | 119.6° | 120.2° |
| CAA | CAF | CAE | 120.9° | 119.3° |
| CAF | CAA | CAB | 120.2° | 119.7° |
| CAF | CAA | H8 | 119.9° | 120.2° |
| CAF | CAE | CAG | 120.4° | 118.4° |
| CAF | CAE | CAD | 118.2° | 120.3° |
| CAA | CAB | OAT | 119.5° | 119.7° |
| CAA | CAB | CAC | 119.6° | 120.5° |
| CAB | CAA | H8 | 119.9° | 120.1° |
| CAE | CAG | OAQ | 123.0° | 121.3° |
| CAG | CAE | CAD | 121.4° | 121.2° |
| CAE | CAD | CAC | 121.0° | 119.7° |
| CAE | CAD | H11 | 119.5° | 120.2° |
| OAT | CAB | CAC | 120.8° | 119.8° |
| CAB | OAT | H9 | 109.5° | 113.9° |
| CAB | CAC | CAD | 120.0° | 120.4° |
| CAB | CAC | H10 | 120.0° | 119.8° |
| CAD | CAC | H10 | 120.0° | 119.8° |
| CAC | CAD | H11 | 119.5° | 120.1° |
| H1 | CAS | H2 | 109.5° | 109.5° |
| H1 | CAS | H3 | 109.5° | 109.5° |
| H2 | CAS | H3 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAS | OAR | CAP | CAL | 162.1° | 180.0° |
| CAS | OAR | CAP | CAO | 19.0° | 0.3° |
| OAR | CAS | H1 | H2 | 120.0° | 120.0° |
| OAR | CAS | H1 | H3 | 120.0° | 120.0° |
| OAR | CAS | H2 | H3 | 120.0° | 119.9° |
| OAR | CAP | CAL | CAO | 179.0° | 179.7° |
| OAR | CAP | CAL | CAM | 179.7° | 180.0° |
| OAR | CAP | CAO | CAN | 179.7° | 180.0° |
| CAP | OAR | CAS | H1 | 180.0° | 60.0° |
| CAP | OAR | CAS | H2 | 60.0° | 180.0° |
| CAP | OAR | CAS | H3 | 60.0° | 60.1° |
| OAR | CAP | CAO | H4 | 0.2° | 0.1° |
| OAR | CAP | CAL | H6 | 0.3° | 0.0° |
| CAP | CAL | CAM | H6 | 180.0° | 180.0° |
| CAL | CAP | CAO | CAN | 0.8° | 0.3° |
| CAP | CAL | CAM | CAK | 0.4° | 0.1° |
| CAL | CAP | CAO | H4 | 179.2° | 179.8° |
| CAP | CAL | CAM | H7 | 179.6° | 180.0° |
| CAO | CAP | CAL | CAM | 0.7° | 0.3° |
| CAP | CAO | CAN | H4 | 180.0° | 179.9° |
| CAP | CAO | CAN | CAK | 0.6° | 0.0° |
| CAP | CAO | CAN | H5 | 179.4° | 180.0° |
| CAO | CAP | CAL | H6 | 179.3° | 179.7° |
| CAL | CAM | CAK | H7 | 180.0° | 179.9° |
| CAL | CAM | CAK | CAN | 0.1° | 0.2° |
| CAL | CAM | CAK | CAI | 179.7° | 179.9° |
| CAO | CAN | CAK | CAM | 0.2° | 0.2° |
| CAO | CAN | CAK | H5 | 180.0° | 180.0° |
| CAO | CAN | CAK | CAI | 179.8° | 179.9° |
| CAM | CAK | CAN | CAI | 179.6° | 179.7° |
| CAM | CAK | CAI | OAJ | 11.9° | 179.8° |
| CAM | CAK | CAI | CAH | 169.3° | 0.0° |
| CAM | CAK | CAN | H5 | 179.8° | 179.7° |
| CAK | CAM | CAL | H6 | 179.6° | 180.0° |
| CAN | CAK | CAI | OAJ | 167.7° | 0.1° |
| CAN | CAK | CAI | CAH | 11.1° | 179.8° |
| CAK | CAN | CAO | H4 | 179.4° | 179.9° |
| CAN | CAK | CAM | H7 | 179.9° | 179.7° |
| CAK | CAI | OAJ | CAH | 178.9° | 179.8° |
| CAK | CAI | OAJ | CAF | 179.9° | 180.0° |
| CAK | CAI | CAH | CAG | 179.2° | 179.7° |
| CAI | CAK | CAN | H5 | 0.2° | 0.0° |
| CAI | CAK | CAM | H7 | 0.3° | 0.0° |
| CAK | CAI | CAH | H12 | 0.8° | 0.0° |
| OAJ | CAI | CAH | CAG | 2.1° | 0.5° |
| CAI | OAJ | CAF | CAA | 179.5° | 179.9° |
| CAI | OAJ | CAF | CAE | 0.6° | 0.1° |
| OAJ | CAI | CAH | H12 | 178.0° | 179.8° |
| CAH | CAI | OAJ | CAF | 1.3° | 0.2° |
| CAI | CAH | CAG | H12 | 180.0° | 179.7° |
| CAI | CAH | CAG | CAE | 2.1° | 0.5° |
| CAI | CAH | CAG | OAQ | 179.8° | 179.8° |
| OAJ | CAF | CAA | CAE | 179.9° | 180.0° |
| OAJ | CAF | CAA | CAB | 179.9° | 180.0° |
| OAJ | CAF | CAE | CAG | 0.8° | 0.0° |
| OAJ | CAF | CAE | CAD | 179.6° | 180.0° |
| OAJ | CAF | CAA | H8 | 0.1° | 0.1° |
| CAH | CAG | CAE | CAF | 1.5° | 0.3° |
| CAH | CAG | CAE | OAQ | 178.0° | 179.7° |
| CAH | CAG | CAE | CAD | 179.7° | 179.7° |
| CAF | CAA | CAB | H8 | 180.0° | 179.9° |
| CAA | CAF | CAE | CAG | 179.3° | 180.0° |
| CAA | CAF | CAE | CAD | 0.4° | 0.0° |
| CAF | CAA | CAB | OAT | 178.8° | 180.0° |
| CAF | CAA | CAB | CAC | 0.7° | 0.0° |
| CAE | CAF | CAA | CAB | 0.0° | 0.0° |
| CAF | CAE | CAG | CAD | 178.8° | 180.0° |
| CAF | CAE | CAG | OAQ | 179.5° | 180.0° |
| CAF | CAE | CAD | CAC | 0.2° | 0.0° |
| CAE | CAF | CAA | H8 | 180.0° | 179.9° |
| CAF | CAE | CAD | H11 | 179.7° | 180.0° |
| CAA | CAB | OAT | CAC | 179.4° | 180.0° |
| CAA | CAB | CAC | CAD | 0.9° | 0.1° |
| CAA | CAB | OAT | H9 | 180.0° | 90.0° |
| CAA | CAB | CAC | H10 | 179.1° | 180.0° |
| CAG | CAE | CAD | CAC | 179.1° | 180.0° |
| CAG | CAE | CAD | H11 | 0.9° | 0.0° |
| CAE | CAG | CAH | H12 | 177.9° | 179.7° |
| OAQ | CAG | CAE | CAD | 1.7° | 0.0° |
| OAQ | CAG | CAH | H12 | 0.2° | 0.1° |
| CAE | CAD | CAC | CAB | 0.4° | 0.1° |
| CAE | CAD | CAC | H11 | 180.0° | 180.0° |
| CAE | CAD | CAC | H10 | 179.6° | 180.0° |
| OAT | CAB | CAC | CAD | 178.6° | 179.9° |
| OAT | CAB | CAA | H8 | 1.2° | 0.1° |
| OAT | CAB | CAC | H10 | 1.4° | 0.1° |
| CAB | CAC | CAD | H10 | 180.0° | 179.9° |
| CAC | CAB | CAA | H8 | 179.3° | 180.0° |
| CAC | CAB | OAT | H9 | 0.6° | 89.9° |
| CAB | CAC | CAD | H11 | 179.6° | 179.9° |
| H1 | CAS | H2 | H3 | 120.0° | 120.1° |
| H4 | CAO | CAN | H5 | 0.6° | 0.1° |
| H6 | CAL | CAM | H7 | 0.3° | 0.0° |
| H10 | CAC | CAD | H11 | 0.4° | 0.1° |
