SFY
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAD | CAE | doub | 1.39Å | 1.39Å | Aromatic |
| CAD | CAF | sing | 1.38Å | 1.39Å | Aromatic |
| CAE | CAG | sing | 1.38Å | 1.39Å | Aromatic |
| CAF | NAL | doub | 1.32Å | 1.34Å | Aromatic |
| CAG | CAO | doub | 1.39Å | 1.40Å | Aromatic |
| NAL | CAO | sing | 1.32Å | 1.36Å | Aromatic |
| CAO | NAM | sing | 1.39Å | 1.36Å | |
| OAB | SAQ | doub | 1.42Å | 1.48Å | |
| NAM | SAQ | sing | 1.66Å | 1.60Å | |
| NAA | CAN | sing | 1.40Å | 1.49Å | |
| CAI | CAK | doub | 1.38Å | 1.40Å | Aromatic |
| CAI | CAN | sing | 1.39Å | 1.40Å | Aromatic |
| CAK | CAP | sing | 1.38Å | 1.40Å | Aromatic |
| CAN | CAH | doub | 1.39Å | 1.40Å | Aromatic |
| CAH | CAJ | sing | 1.38Å | 1.40Å | Aromatic |
| CAP | CAJ | doub | 1.38Å | 1.40Å | Aromatic |
| CAP | SAQ | sing | 1.76Å | 1.61Å | |
| SAQ | OAC | doub | 1.42Å | 1.48Å | |
| CAJ | H1 | sing | 1.08Å | 1.08Å | |
| CAH | H2 | sing | 1.08Å | 1.08Å | |
| NAA | H3 | sing | 0.97Å | 1.00Å | |
| NAA | H4 | sing | 0.97Å | 1.00Å | |
| CAI | H5 | sing | 1.08Å | 1.08Å | |
| CAK | H6 | sing | 1.08Å | 1.08Å | |
| NAM | H7 | sing | 0.97Å | 1.00Å | |
| CAG | H8 | sing | 1.08Å | 1.08Å | |
| CAE | H9 | sing | 1.08Å | 1.08Å | |
| CAD | H10 | sing | 1.08Å | 1.08Å | |
| CAF | H11 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAE | CAD | CAF | 119.1° | 119.3° |
| CAD | CAE | CAG | 119.3° | 118.5° |
| CAD | CAE | H9 | 120.3° | 120.7° |
| CAE | CAD | H10 | 120.5° | 120.4° |
| CAD | CAF | NAL | 120.5° | 120.9° |
| CAF | CAD | H10 | 120.4° | 120.3° |
| CAD | CAF | H11 | 119.8° | 119.6° |
| CAE | CAG | CAO | 119.8° | 119.1° |
| CAE | CAG | H8 | 120.1° | 120.5° |
| CAG | CAE | H9 | 120.4° | 120.8° |
| CAF | NAL | CAO | 122.0° | 121.6° |
| NAL | CAF | H11 | 119.8° | 119.5° |
| CAG | CAO | NAL | 119.3° | 120.6° |
| CAG | CAO | NAM | 122.4° | 119.7° |
| CAO | CAG | H8 | 120.1° | 120.4° |
| NAL | CAO | NAM | 118.3° | 119.7° |
| CAO | NAM | SAQ | 124.4° | 120.0° |
| CAO | NAM | H7 | 105.6° | 120.0° |
| OAB | SAQ | NAM | 108.5° | 106.4° |
| OAB | SAQ | CAP | 109.5° | 106.4° |
| OAB | SAQ | OAC | 109.0° | 123.2° |
| NAM | SAQ | CAP | 111.0° | 107.2° |
| NAM | SAQ | OAC | 109.8° | 106.4° |
| SAQ | NAM | H7 | 105.6° | 120.0° |
| NAA | CAN | CAI | 120.0° | 120.1° |
| NAA | CAN | CAH | 120.0° | 120.1° |
| CAN | NAA | H3 | 109.5° | 120.0° |
| CAN | NAA | H4 | 109.4° | 120.0° |
| CAK | CAI | CAN | 120.0° | 119.9° |
| CAI | CAK | CAP | 120.2° | 120.1° |
| CAK | CAI | H5 | 120.0° | 120.0° |
| CAI | CAK | H6 | 119.9° | 120.0° |
| CAI | CAN | CAH | 120.1° | 119.9° |
| CAN | CAI | H5 | 120.0° | 120.1° |
| CAK | CAP | CAJ | 119.4° | 120.2° |
| CAK | CAP | SAQ | 119.9° | 120.0° |
| CAP | CAK | H6 | 119.9° | 119.9° |
| CAN | CAH | CAJ | 119.8° | 119.9° |
| CAN | CAH | H2 | 120.1° | 120.0° |
| CAH | CAJ | CAP | 120.5° | 120.0° |
| CAH | CAJ | H1 | 119.7° | 120.0° |
| CAJ | CAH | H2 | 120.1° | 120.0° |
| CAJ | CAP | SAQ | 120.7° | 119.9° |
| CAP | CAJ | H1 | 119.8° | 120.0° |
| CAP | SAQ | OAC | 109.0° | 106.4° |
| H3 | NAA | H4 | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAE | CAD | CAF | H10 | 180.0° | 180.0° |
| CAD | CAE | CAG | H9 | 180.0° | 180.0° |
| CAE | CAD | CAF | NAL | 0.1° | 0.3° |
| CAD | CAE | CAG | CAO | 0.1° | 0.0° |
| CAD | CAE | CAG | H8 | 179.9° | 180.0° |
| CAE | CAD | CAF | H11 | 179.8° | 180.0° |
| CAF | CAD | CAE | CAG | 0.1° | 0.1° |
| CAD | CAF | NAL | H11 | 180.0° | 179.7° |
| CAD | CAF | NAL | CAO | 0.1° | 0.6° |
| CAF | CAD | CAE | H9 | 179.9° | 180.0° |
| CAE | CAG | CAO | H8 | 180.0° | 180.0° |
| CAE | CAG | CAO | NAL | 0.0° | 0.3° |
| CAE | CAG | CAO | NAM | 179.6° | 180.0° |
| CAG | CAE | CAD | H10 | 179.8° | 180.0° |
| CAF | NAL | CAO | CAG | 0.1° | 0.5° |
| CAF | NAL | CAO | NAM | 179.6° | 179.7° |
| NAL | CAF | CAD | H10 | 179.8° | 179.7° |
| CAG | CAO | NAL | NAM | 179.6° | 179.7° |
| CAG | CAO | NAM | SAQ | 18.4° | 180.0° |
| CAG | CAO | NAM | H7 | 103.7° | 0.0° |
| CAO | CAG | CAE | H9 | 179.9° | 180.0° |
| NAL | CAO | NAM | SAQ | 162.0° | 0.3° |
| NAL | CAO | NAM | H7 | 76.0° | 179.7° |
| NAL | CAO | CAG | H8 | 180.0° | 179.8° |
| CAO | NAL | CAF | H11 | 179.9° | 179.8° |
| CAO | NAM | SAQ | OAB | 51.5° | 48.5° |
| CAO | NAM | SAQ | H7 | 122.0° | 180.0° |
| CAO | NAM | SAQ | CAP | 68.9° | 65.0° |
| CAO | NAM | SAQ | OAC | 170.6° | 178.6° |
| NAM | CAO | CAG | H8 | 0.4° | 0.0° |
| OAB | SAQ | NAM | CAP | 120.4° | 113.5° |
| OAB | SAQ | NAM | OAC | 119.0° | 132.9° |
| OAB | SAQ | CAP | CAK | 31.8° | 23.2° |
| OAB | SAQ | CAP | CAJ | 148.0° | 156.5° |
| OAB | SAQ | CAP | OAC | 119.1° | 132.9° |
| OAB | SAQ | NAM | H7 | 173.6° | 131.5° |
| NAM | SAQ | CAP | CAK | 151.6° | 90.3° |
| NAM | SAQ | CAP | CAJ | 28.2° | 90.0° |
| NAM | SAQ | CAP | OAC | 121.1° | 113.6° |
| NAA | CAN | CAI | CAK | 179.8° | 179.7° |
| NAA | CAN | CAI | CAH | 179.9° | 179.9° |
| NAA | CAN | CAH | CAJ | 179.7° | 180.0° |
| NAA | CAN | CAH | H2 | 0.3° | 0.1° |
| CAN | NAA | H3 | H4 | 120.0° | 180.0° |
| NAA | CAN | CAI | H5 | 0.2° | 0.2° |
| CAK | CAI | CAN | H5 | 180.0° | 179.4° |
| CAI | CAK | CAP | H6 | 180.0° | 179.4° |
| CAK | CAI | CAN | CAH | 0.1° | 0.2° |
| CAI | CAK | CAP | CAJ | 0.0° | 0.6° |
| CAI | CAK | CAP | SAQ | 179.8° | 179.7° |
| CAN | CAI | CAK | CAP | 0.0° | 0.6° |
| CAI | CAN | CAH | CAJ | 0.2° | 0.1° |
| CAI | CAN | CAH | H2 | 179.8° | 180.0° |
| CAI | CAN | NAA | H3 | 180.0° | 179.9° |
| CAI | CAN | NAA | H4 | 60.0° | 0.1° |
| CAN | CAI | CAK | H6 | 180.0° | 180.0° |
| CAK | CAP | CAJ | CAH | 0.1° | 0.3° |
| CAK | CAP | CAJ | SAQ | 179.8° | 179.7° |
| CAK | CAP | SAQ | OAC | 87.4° | 156.1° |
| CAK | CAP | CAJ | H1 | 179.9° | 179.7° |
| CAP | CAK | CAI | H5 | 180.0° | 180.0° |
| CAN | CAH | CAJ | H2 | 180.0° | 179.9° |
| CAN | CAH | CAJ | CAP | 0.2° | 0.0° |
| CAN | CAH | CAJ | H1 | 179.8° | 179.9° |
| CAH | CAN | NAA | H3 | 0.1° | 0.0° |
| CAH | CAN | NAA | H4 | 119.9° | 180.0° |
| CAH | CAN | CAI | H5 | 179.9° | 179.7° |
| CAH | CAJ | CAP | H1 | 180.0° | 180.0° |
| CAH | CAJ | CAP | SAQ | 179.6° | 180.0° |
| CAJ | CAP | SAQ | OAC | 92.9° | 23.5° |
| CAP | CAJ | CAH | H2 | 179.8° | 179.9° |
| CAJ | CAP | CAK | H6 | 180.0° | 180.0° |
| SAQ | CAP | CAJ | H1 | 0.3° | 0.0° |
| SAQ | CAP | CAK | H6 | 0.3° | 0.3° |
| CAP | SAQ | NAM | H7 | 53.2° | 115.0° |
| OAC | SAQ | NAM | H7 | 67.4° | 1.4° |
| H1 | CAJ | CAH | H2 | 0.2° | 0.0° |
| H5 | CAI | CAK | H6 | 0.0° | 0.6° |
| H8 | CAG | CAE | H9 | 0.1° | 0.0° |
| H9 | CAE | CAD | H10 | 0.2° | 0.0° |
| H10 | CAD | CAF | H11 | 0.2° | 0.0° |
