MFY
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CL | CAM | sing | 1.74Å | 1.70Å | |
| CAM | CAE | doub | 1.38Å | 1.42Å | Aromatic |
| CAM | CAF | sing | 1.38Å | 1.38Å | Aromatic |
| CAE | CAG | sing | 1.38Å | 1.33Å | Aromatic |
| CAF | CAH | doub | 1.38Å | 1.41Å | Aromatic |
| CAG | CAN | doub | 1.38Å | 1.42Å | Aromatic |
| CAH | CAN | sing | 1.38Å | 1.37Å | Aromatic |
| CAN | CAK | sing | 1.51Å | 1.49Å | |
| CAK | NAL | sing | 1.47Å | 1.50Å | |
| NAL | CAI | sing | 1.47Å | 1.46Å | |
| CAI | CAJ | sing | 1.53Å | 1.49Å | |
| CAJ | SAO | sing | 1.81Å | 1.78Å | |
| OAA | SAO | doub | 1.42Å | 1.43Å | |
| SAO | OAC | doub | 1.42Å | 1.49Å | |
| SAO | OAB | sing | 1.52Å | 1.52Å | |
| CAG | H1 | sing | 1.08Å | 1.08Å | |
| CAE | H2 | sing | 1.08Å | 1.08Å | |
| CAF | H3 | sing | 1.08Å | 1.08Å | |
| CAH | H4 | sing | 1.08Å | 1.08Å | |
| CAK | H5 | sing | 1.09Å | 1.10Å | |
| CAK | H6 | sing | 1.09Å | 1.10Å | |
| NAL | H7 | sing | 1.01Å | 1.00Å | |
| CAI | H9 | sing | 1.09Å | 1.10Å | |
| CAI | H10 | sing | 1.09Å | 1.10Å | |
| CAJ | H11 | sing | 1.09Å | 1.10Å | |
| CAJ | H12 | sing | 1.09Å | 1.10Å | |
| OAB | H8 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CL | CAM | CAE | 118.8° | 120.1° |
| CL | CAM | CAF | 120.8° | 120.0° |
| CAE | CAM | CAF | 120.4° | 119.9° |
| CAM | CAE | CAG | 120.1° | 120.0° |
| CAM | CAE | H2 | 119.9° | 120.0° |
| CAM | CAF | CAH | 119.8° | 120.0° |
| CAM | CAF | H3 | 120.1° | 120.0° |
| CAE | CAG | CAN | 120.2° | 120.0° |
| CAE | CAG | H1 | 119.9° | 120.0° |
| CAG | CAE | H2 | 120.0° | 120.0° |
| CAF | CAH | CAN | 118.8° | 120.0° |
| CAH | CAF | H3 | 120.1° | 120.0° |
| CAF | CAH | H4 | 120.6° | 120.0° |
| CAG | CAN | CAH | 120.8° | 120.0° |
| CAG | CAN | CAK | 118.3° | 120.0° |
| CAN | CAG | H1 | 119.9° | 120.0° |
| CAH | CAN | CAK | 120.8° | 120.0° |
| CAN | CAH | H4 | 120.6° | 120.0° |
| CAN | CAK | NAL | 115.9° | 109.5° |
| CAN | CAK | H5 | 107.8° | 109.4° |
| CAN | CAK | H6 | 107.8° | 109.5° |
| CAK | NAL | CAI | 109.3° | 111.0° |
| NAL | CAK | H5 | 107.9° | 109.5° |
| NAL | CAK | H6 | 107.9° | 109.5° |
| CAK | NAL | H7 | 109.5° | 111.0° |
| NAL | CAI | CAJ | 113.3° | 109.5° |
| CAI | NAL | H7 | 109.5° | 111.0° |
| NAL | CAI | H9 | 108.5° | 109.5° |
| NAL | CAI | H10 | 108.5° | 109.4° |
| CAI | CAJ | SAO | 118.4° | 109.5° |
| CAJ | CAI | H9 | 108.5° | 109.5° |
| CAJ | CAI | H10 | 108.5° | 109.5° |
| CAI | CAJ | H11 | 107.2° | 109.4° |
| CAI | CAJ | H12 | 107.2° | 109.5° |
| CAJ | SAO | OAA | 109.1° | 110.6° |
| CAJ | SAO | OAC | 107.2° | 110.6° |
| CAJ | SAO | OAB | 110.0° | 104.4° |
| SAO | CAJ | H11 | 107.2° | 109.5° |
| SAO | CAJ | H12 | 107.2° | 109.5° |
| OAA | SAO | OAC | 110.3° | 121.0° |
| OAA | SAO | OAB | 109.9° | 104.3° |
| OAC | SAO | OAB | 110.3° | 104.3° |
| SAO | OAB | H8 | 109.5° | 114.0° |
| H5 | CAK | H6 | 109.4° | 109.4° |
| H9 | CAI | H10 | 109.5° | 109.4° |
| H11 | CAJ | H12 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CL | CAM | CAE | CAF | 179.9° | 180.0° |
| CL | CAM | CAE | CAG | 179.8° | 179.9° |
| CL | CAM | CAF | CAH | 179.6° | 179.9° |
| CL | CAM | CAE | H2 | 0.2° | 0.0° |
| CL | CAM | CAF | H3 | 0.4° | 0.0° |
| CAM | CAE | CAG | H2 | 180.0° | 179.9° |
| CAE | CAM | CAF | CAH | 0.2° | 0.1° |
| CAM | CAE | CAG | CAN | 0.4° | 0.1° |
| CAM | CAE | CAG | H1 | 179.6° | 179.7° |
| CAE | CAM | CAF | H3 | 179.8° | 180.0° |
| CAF | CAM | CAE | CAG | 0.3° | 0.1° |
| CAM | CAF | CAH | H3 | 180.0° | 180.0° |
| CAM | CAF | CAH | CAN | 0.8° | 0.1° |
| CAF | CAM | CAE | H2 | 179.6° | 180.0° |
| CAM | CAF | CAH | H4 | 179.2° | 180.0° |
| CAE | CAG | CAN | H1 | 180.0° | 179.8° |
| CAE | CAG | CAN | CAH | 0.2° | 0.1° |
| CAE | CAG | CAN | CAK | 179.5° | 179.8° |
| CAF | CAH | CAN | CAG | 0.8° | 0.1° |
| CAF | CAH | CAN | H4 | 180.0° | 179.9° |
| CAF | CAH | CAN | CAK | 178.9° | 179.8° |
| CAG | CAN | CAH | CAK | 179.7° | 179.7° |
| CAG | CAN | CAK | NAL | 74.5° | 90.1° |
| CAN | CAG | CAE | H2 | 179.6° | 180.0° |
| CAG | CAN | CAH | H4 | 179.2° | 180.0° |
| CAG | CAN | CAK | H5 | 46.5° | 149.9° |
| CAG | CAN | CAK | H6 | 164.6° | 30.0° |
| CAH | CAN | CAK | NAL | 105.8° | 90.3° |
| CAH | CAN | CAG | H1 | 179.8° | 179.7° |
| CAN | CAH | CAF | H3 | 179.2° | 179.9° |
| CAH | CAN | CAK | H5 | 133.3° | 29.7° |
| CAH | CAN | CAK | H6 | 15.2° | 149.7° |
| CAN | CAK | NAL | H5 | 120.9° | 120.0° |
| CAN | CAK | NAL | H6 | 120.9° | 120.0° |
| CAN | CAK | NAL | CAI | 164.1° | 180.0° |
| CAK | CAN | CAG | H1 | 0.5° | 0.0° |
| CAK | CAN | CAH | H4 | 1.1° | 0.3° |
| CAN | CAK | H5 | H6 | 117.0° | 120.0° |
| CAN | CAK | NAL | H7 | 75.9° | 56.1° |
| CAK | NAL | CAI | H7 | 120.0° | 124.0° |
| CAK | NAL | CAI | CAJ | 179.2° | 180.0° |
| NAL | CAK | H5 | H6 | 117.1° | 120.1° |
| CAK | NAL | CAI | H9 | 60.3° | 60.0° |
| CAK | NAL | CAI | H10 | 58.6° | 59.9° |
| NAL | CAI | CAJ | H9 | 120.6° | 120.0° |
| NAL | CAI | CAJ | H10 | 120.6° | 120.0° |
| NAL | CAI | CAJ | SAO | 152.6° | 180.0° |
| CAI | NAL | CAK | H5 | 43.2° | 60.0° |
| CAI | NAL | CAK | H6 | 74.9° | 60.0° |
| NAL | CAI | H9 | H10 | 118.3° | 119.9° |
| NAL | CAI | CAJ | H11 | 86.1° | 60.0° |
| NAL | CAI | CAJ | H12 | 31.3° | 60.0° |
| CAI | CAJ | SAO | H11 | 121.3° | 119.9° |
| CAI | CAJ | SAO | H12 | 121.3° | 120.0° |
| CAI | CAJ | SAO | OAA | 61.8° | 68.4° |
| CAI | CAJ | SAO | OAC | 178.8° | 68.4° |
| CAI | CAJ | SAO | OAB | 58.8° | 180.0° |
| CAJ | CAI | NAL | H7 | 59.2° | 56.0° |
| CAJ | CAI | H9 | H10 | 118.2° | 120.0° |
| CAI | CAJ | H11 | H12 | 116.0° | 120.0° |
| CAJ | SAO | OAA | OAC | 117.5° | 131.6° |
| CAJ | SAO | OAA | OAB | 120.7° | 111.7° |
| CAJ | SAO | OAC | OAB | 119.7° | 111.7° |
| SAO | CAJ | CAI | H9 | 32.0° | 60.0° |
| SAO | CAJ | CAI | H10 | 86.9° | 60.0° |
| SAO | CAJ | H11 | H12 | 115.9° | 120.1° |
| CAJ | SAO | OAB | H8 | 120.2° | 180.0° |
| OAA | SAO | OAC | OAB | 121.6° | 116.7° |
| OAA | SAO | CAJ | H11 | 176.9° | 171.7° |
| OAA | SAO | CAJ | H12 | 59.5° | 51.6° |
| OAA | SAO | OAB | H8 | 0.0° | 63.9° |
| OAC | SAO | CAJ | H11 | 57.5° | 51.5° |
| OAC | SAO | CAJ | H12 | 60.0° | 171.6° |
| OAC | SAO | OAB | H8 | 121.8° | 63.9° |
| OAB | SAO | CAJ | H11 | 62.5° | 60.0° |
| OAB | SAO | CAJ | H12 | 179.9° | 60.0° |
| H1 | CAG | CAE | H2 | 0.4° | 0.2° |
| H3 | CAF | CAH | H4 | 0.8° | 0.1° |
| H5 | CAK | NAL | H7 | 163.2° | 176.0° |
| H6 | CAK | NAL | H7 | 45.1° | 63.9° |
| H7 | NAL | CAI | H9 | 179.8° | 176.1° |
| H7 | NAL | CAI | H10 | 61.3° | 64.0° |
| H9 | CAI | CAJ | H11 | 153.3° | 180.0° |
| H9 | CAI | CAJ | H12 | 89.2° | 60.0° |
| H10 | CAI | CAJ | H11 | 34.4° | 60.0° |
| H10 | CAI | CAJ | H12 | 151.9° | 180.0° |
