16S
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OAS | CAP | sing | 1.36Å | 1.37Å | |
| CAP | CAO | doub | 1.39Å | 1.39Å | Aromatic |
| CAP | CAL | sing | 1.39Å | 1.39Å | Aromatic |
| OAR | CAL | sing | 1.36Å | 1.36Å | |
| CAO | CAN | sing | 1.38Å | 1.40Å | Aromatic |
| CAL | CAM | doub | 1.38Å | 1.40Å | Aromatic |
| CAN | CAK | doub | 1.40Å | 1.41Å | Aromatic |
| CAM | CAK | sing | 1.40Å | 1.40Å | Aromatic |
| CAK | CAJ | sing | 1.47Å | 1.41Å | |
| CAJ | OAG | sing | 1.34Å | 1.36Å | |
| CAJ | CAI | doub | 1.36Å | 1.40Å | |
| OAG | CAF | sing | 1.35Å | 1.37Å | |
| CAI | CAH | sing | 1.41Å | 1.39Å | |
| CAF | CAA | doub | 1.39Å | 1.39Å | Aromatic |
| CAF | CAE | sing | 1.40Å | 1.41Å | Aromatic |
| CAA | CAB | sing | 1.38Å | 1.39Å | Aromatic |
| CAH | CAE | sing | 1.48Å | 1.40Å | |
| CAH | OAQ | doub | 1.22Å | 1.24Å | |
| CAE | CAD | doub | 1.39Å | 1.39Å | Aromatic |
| CAB | CAC | doub | 1.39Å | 1.40Å | Aromatic |
| CAD | CAC | sing | 1.38Å | 1.40Å | Aromatic |
| CAM | H1 | sing | 1.08Å | 1.08Å | |
| OAR | H2 | sing | 0.97Å | 0.95Å | |
| OAS | H3 | sing | 0.97Å | 0.95Å | |
| CAO | H4 | sing | 1.08Å | 1.08Å | |
| CAN | H5 | sing | 1.08Å | 1.08Å | |
| CAA | H6 | sing | 1.08Å | 1.08Å | |
| CAB | H7 | sing | 1.08Å | 1.08Å | |
| CAC | H8 | sing | 1.08Å | 1.08Å | |
| CAD | H9 | sing | 1.08Å | 1.08Å | |
| CAI | H10 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OAS | CAP | CAO | 124.2° | 119.9° |
| OAS | CAP | CAL | 116.6° | 120.0° |
| CAP | OAS | H3 | 109.5° | 114.0° |
| CAO | CAP | CAL | 119.1° | 120.1° |
| CAP | CAO | CAN | 119.6° | 120.1° |
| CAP | CAO | H4 | 120.2° | 120.0° |
| CAP | CAL | OAR | 115.6° | 119.9° |
| CAP | CAL | CAM | 121.6° | 120.0° |
| OAR | CAL | CAM | 122.8° | 120.0° |
| CAL | OAR | H2 | 109.5° | 114.1° |
| CAO | CAN | CAK | 121.8° | 120.0° |
| CAN | CAO | H4 | 120.2° | 119.9° |
| CAO | CAN | H5 | 119.1° | 120.0° |
| CAL | CAM | CAK | 120.0° | 119.9° |
| CAL | CAM | H1 | 120.0° | 120.1° |
| CAN | CAK | CAM | 117.9° | 119.8° |
| CAN | CAK | CAJ | 119.9° | 120.1° |
| CAK | CAN | H5 | 119.1° | 120.0° |
| CAM | CAK | CAJ | 122.1° | 120.1° |
| CAK | CAM | H1 | 120.0° | 120.1° |
| CAK | CAJ | OAG | 114.4° | 118.7° |
| CAK | CAJ | CAI | 125.3° | 118.7° |
| OAG | CAJ | CAI | 120.4° | 122.6° |
| CAJ | OAG | CAF | 121.1° | 122.3° |
| CAJ | CAI | CAH | 120.0° | 119.5° |
| CAJ | CAI | H10 | 120.0° | 120.3° |
| OAG | CAF | CAA | 119.6° | 120.8° |
| OAG | CAF | CAE | 118.9° | 119.8° |
| CAI | CAH | CAE | 118.4° | 117.4° |
| CAI | CAH | OAQ | 120.2° | 121.3° |
| CAH | CAI | H10 | 120.0° | 120.2° |
| CAA | CAF | CAE | 121.5° | 119.4° |
| CAF | CAA | CAB | 120.1° | 119.9° |
| CAF | CAA | H6 | 120.0° | 120.0° |
| CAF | CAE | CAH | 120.8° | 118.5° |
| CAF | CAE | CAD | 118.4° | 120.2° |
| CAA | CAB | CAC | 119.2° | 120.7° |
| CAB | CAA | H6 | 120.0° | 120.0° |
| CAA | CAB | H7 | 120.4° | 119.7° |
| CAE | CAH | OAQ | 121.3° | 121.3° |
| CAH | CAE | CAD | 120.7° | 121.4° |
| CAE | CAD | CAC | 120.3° | 119.6° |
| CAE | CAD | H9 | 119.9° | 120.2° |
| CAB | CAC | CAD | 120.4° | 120.3° |
| CAC | CAB | H7 | 120.4° | 119.6° |
| CAB | CAC | H8 | 119.8° | 119.8° |
| CAD | CAC | H8 | 119.8° | 119.9° |
| CAC | CAD | H9 | 119.8° | 120.2° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OAS | CAP | CAO | CAL | 178.4° | 180.0° |
| OAS | CAP | CAL | OAR | 1.6° | 0.1° |
| OAS | CAP | CAO | CAN | 179.5° | 180.0° |
| OAS | CAP | CAL | CAM | 179.5° | 179.9° |
| OAS | CAP | CAO | H4 | 0.4° | 0.0° |
| CAO | CAP | CAL | OAR | 179.9° | 180.0° |
| CAP | CAO | CAN | H4 | 180.0° | 180.0° |
| CAO | CAP | CAL | CAM | 0.9° | 0.1° |
| CAP | CAO | CAN | CAK | 0.2° | 0.0° |
| CAO | CAP | OAS | H3 | 180.0° | 90.0° |
| CAP | CAO | CAN | H5 | 179.8° | 180.0° |
| CAP | CAL | OAR | CAM | 178.9° | 179.9° |
| CAL | CAP | CAO | CAN | 1.1° | 0.0° |
| CAP | CAL | CAM | CAK | 0.2° | 0.1° |
| CAP | CAL | CAM | H1 | 179.8° | 179.7° |
| CAP | CAL | OAR | H2 | 180.0° | 90.0° |
| CAL | CAP | OAS | H3 | 1.6° | 90.0° |
| CAL | CAP | CAO | H4 | 178.9° | 180.0° |
| OAR | CAL | CAM | CAK | 178.7° | 180.0° |
| OAR | CAL | CAM | H1 | 1.4° | 0.2° |
| CAO | CAN | CAK | H5 | 180.0° | 180.0° |
| CAO | CAN | CAK | CAM | 1.0° | 0.0° |
| CAO | CAN | CAK | CAJ | 179.6° | 179.7° |
| CAL | CAM | CAK | CAN | 1.2° | 0.0° |
| CAL | CAM | CAK | H1 | 180.0° | 179.8° |
| CAL | CAM | CAK | CAJ | 179.5° | 179.8° |
| CAM | CAL | OAR | H2 | 1.0° | 89.9° |
| CAN | CAK | CAM | CAJ | 179.4° | 179.7° |
| CAN | CAK | CAJ | OAG | 8.9° | 179.7° |
| CAN | CAK | CAJ | CAI | 172.5° | 0.5° |
| CAN | CAK | CAM | H1 | 178.8° | 179.7° |
| CAK | CAN | CAO | H4 | 179.8° | 180.0° |
| CAM | CAK | CAJ | OAG | 171.8° | 0.0° |
| CAM | CAK | CAJ | CAI | 6.8° | 179.8° |
| CAM | CAK | CAN | H5 | 179.0° | 180.0° |
| CAK | CAJ | OAG | CAI | 178.7° | 179.8° |
| CAK | CAJ | OAG | CAF | 176.2° | 180.0° |
| CAK | CAJ | CAI | CAH | 178.9° | 179.7° |
| CAJ | CAK | CAM | H1 | 0.5° | 0.0° |
| CAJ | CAK | CAN | H5 | 0.3° | 0.3° |
| CAK | CAJ | CAI | H10 | 1.1° | 0.1° |
| OAG | CAJ | CAI | CAH | 2.6° | 0.5° |
| CAJ | OAG | CAF | CAA | 176.7° | 180.0° |
| CAJ | OAG | CAF | CAE | 4.0° | 0.0° |
| OAG | CAJ | CAI | H10 | 177.4° | 179.7° |
| CAI | CAJ | OAG | CAF | 2.5° | 0.2° |
| CAJ | CAI | CAH | H10 | 180.0° | 179.7° |
| CAJ | CAI | CAH | CAE | 5.9° | 0.6° |
| CAJ | CAI | CAH | OAQ | 176.1° | 179.8° |
| OAG | CAF | CAA | CAE | 179.3° | 180.0° |
| OAG | CAF | CAA | CAB | 179.0° | 180.0° |
| OAG | CAF | CAE | CAH | 0.5° | 0.0° |
| OAG | CAF | CAE | CAD | 177.5° | 180.0° |
| OAG | CAF | CAA | H6 | 1.0° | 0.0° |
| CAI | CAH | CAE | CAF | 4.4° | 0.3° |
| CAI | CAH | CAE | OAQ | 178.0° | 179.6° |
| CAI | CAH | CAE | CAD | 172.5° | 179.7° |
| CAF | CAA | CAB | H6 | 180.0° | 180.0° |
| CAA | CAF | CAE | CAH | 179.8° | 180.0° |
| CAA | CAF | CAE | CAD | 3.2° | 0.0° |
| CAF | CAA | CAB | CAC | 0.4° | 0.0° |
| CAF | CAA | CAB | H7 | 179.6° | 180.0° |
| CAE | CAF | CAA | CAB | 1.7° | 0.0° |
| CAF | CAE | CAH | CAD | 176.9° | 180.0° |
| CAF | CAE | CAH | OAQ | 177.7° | 180.0° |
| CAF | CAE | CAD | CAC | 2.6° | 0.0° |
| CAE | CAF | CAA | H6 | 178.3° | 180.0° |
| CAF | CAE | CAD | H9 | 177.4° | 180.0° |
| CAA | CAB | CAC | H7 | 180.0° | 180.0° |
| CAA | CAB | CAC | CAD | 1.0° | 0.0° |
| CAA | CAB | CAC | H8 | 179.0° | 180.0° |
| CAH | CAE | CAD | CAC | 179.6° | 180.0° |
| CAH | CAE | CAD | H9 | 0.4° | 0.0° |
| CAE | CAH | CAI | H10 | 174.1° | 179.7° |
| OAQ | CAH | CAE | CAD | 5.4° | 0.1° |
| OAQ | CAH | CAI | H10 | 3.9° | 0.0° |
| CAE | CAD | CAC | CAB | 0.5° | 0.0° |
| CAE | CAD | CAC | H9 | 180.0° | 180.0° |
| CAE | CAD | CAC | H8 | 179.5° | 180.0° |
| CAB | CAC | CAD | H8 | 180.0° | 180.0° |
| CAC | CAB | CAA | H6 | 179.6° | 180.0° |
| CAB | CAC | CAD | H9 | 179.5° | 180.0° |
| CAD | CAC | CAB | H7 | 179.0° | 180.0° |
| H4 | CAO | CAN | H5 | 0.2° | 0.1° |
| H6 | CAA | CAB | H7 | 0.4° | 0.0° |
| H7 | CAB | CAC | H8 | 1.0° | 0.0° |
| H8 | CAC | CAD | H9 | 0.5° | 0.1° |
