F2M
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAC | CAD | sing | 1.51Å | 1.36Å | |
| CAD | CAE | doub | 1.32Å | 1.49Å | |
| CAE | NAL | sing | 1.39Å | 1.32Å | |
| NAL | CAI | sing | 1.47Å | 1.45Å | |
| NAL | CAB | sing | 1.46Å | 1.34Å | |
| CAI | CAK | sing | 1.51Å | 1.54Å | |
| CAK | CAH | doub | 1.34Å | 1.34Å | Aromatic |
| CAK | OAJ | sing | 1.34Å | 1.29Å | Aromatic |
| CAH | CAF | sing | 1.41Å | 1.34Å | Aromatic |
| OAJ | CAG | sing | 1.34Å | 1.48Å | Aromatic |
| CAF | CAG | doub | 1.35Å | 1.33Å | Aromatic |
| CAC | H1 | sing | 1.09Å | 1.10Å | |
| CAC | H2 | sing | 1.09Å | 1.10Å | |
| CAC | H3 | sing | 1.09Å | 1.10Å | |
| CAD | H4 | sing | 1.08Å | 1.08Å | |
| CAE | H5 | sing | 1.08Å | 1.08Å | |
| CAB | H6 | sing | 1.09Å | 1.10Å | |
| CAB | H7 | sing | 1.09Å | 1.10Å | |
| CAB | H8 | sing | 1.09Å | 1.10Å | |
| CAI | H9 | sing | 1.09Å | 1.10Å | |
| CAI | H10 | sing | 1.09Å | 1.10Å | |
| CAG | H11 | sing | 1.08Å | 1.08Å | |
| CAF | H12 | sing | 1.08Å | 1.08Å | |
| CAH | H13 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAC | CAD | CAE | 118.1° | 120.0° |
| CAD | CAC | H1 | 109.5° | 109.5° |
| CAD | CAC | H2 | 109.5° | 109.4° |
| CAD | CAC | H3 | 109.5° | 109.5° |
| CAC | CAD | H4 | 121.0° | 120.0° |
| CAD | CAE | NAL | 125.5° | 120.0° |
| CAE | CAD | H4 | 121.0° | 120.0° |
| CAD | CAE | H5 | 117.3° | 120.0° |
| CAE | NAL | CAI | 116.4° | 120.0° |
| CAE | NAL | CAB | 121.0° | 120.0° |
| NAL | CAE | H5 | 117.3° | 120.0° |
| CAI | NAL | CAB | 122.4° | 120.0° |
| NAL | CAI | CAK | 114.7° | 109.5° |
| NAL | CAI | H9 | 108.2° | 109.5° |
| NAL | CAI | H10 | 108.1° | 109.5° |
| NAL | CAB | H6 | 109.5° | 109.5° |
| NAL | CAB | H7 | 109.5° | 109.5° |
| NAL | CAB | H8 | 109.5° | 109.5° |
| CAI | CAK | CAH | 123.2° | 125.9° |
| CAI | CAK | OAJ | 126.7° | 125.8° |
| CAK | CAI | H9 | 108.1° | 109.4° |
| CAK | CAI | H10 | 108.1° | 109.5° |
| CAH | CAK | OAJ | 110.2° | 108.4° |
| CAK | CAH | CAF | 110.4° | 106.9° |
| CAK | CAH | H13 | 124.8° | 126.5° |
| CAK | OAJ | CAG | 105.7° | 109.5° |
| CAH | CAF | CAG | 107.6° | 106.8° |
| CAH | CAF | H12 | 126.2° | 126.7° |
| CAF | CAH | H13 | 124.8° | 126.5° |
| OAJ | CAG | CAF | 106.2° | 108.4° |
| OAJ | CAG | H11 | 126.9° | 125.8° |
| CAF | CAG | H11 | 126.9° | 125.8° |
| CAG | CAF | H12 | 126.2° | 126.5° |
| H1 | CAC | H2 | 109.4° | 109.5° |
| H1 | CAC | H3 | 109.5° | 109.5° |
| H2 | CAC | H3 | 109.4° | 109.5° |
| H6 | CAB | H7 | 109.4° | 109.5° |
| H6 | CAB | H8 | 109.5° | 109.4° |
| H7 | CAB | H8 | 109.5° | 109.5° |
| H9 | CAI | H10 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAC | CAD | CAE | H4 | 180.0° | 180.0° |
| CAC | CAD | CAE | NAL | 177.9° | 180.0° |
| CAD | CAC | H1 | H2 | 120.0° | 120.0° |
| CAD | CAC | H1 | H3 | 120.0° | 120.1° |
| CAD | CAC | H2 | H3 | 120.0° | 120.0° |
| CAC | CAD | CAE | H5 | 2.1° | 0.0° |
| CAD | CAE | NAL | H5 | 180.0° | 180.0° |
| CAD | CAE | NAL | CAI | 177.4° | 180.0° |
| CAD | CAE | NAL | CAB | 2.5° | 0.0° |
| CAE | CAD | CAC | H1 | 180.0° | 180.0° |
| CAE | CAD | CAC | H2 | 60.0° | 60.0° |
| CAE | CAD | CAC | H3 | 60.0° | 60.0° |
| CAE | NAL | CAI | CAB | 174.8° | 180.0° |
| CAE | NAL | CAI | CAK | 168.3° | 90.0° |
| NAL | CAE | CAD | H4 | 2.1° | 0.0° |
| CAE | NAL | CAB | H6 | 180.0° | 90.0° |
| CAE | NAL | CAB | H7 | 60.0° | 150.0° |
| CAE | NAL | CAB | H8 | 60.0° | 30.0° |
| CAE | NAL | CAI | H9 | 70.9° | 150.0° |
| CAE | NAL | CAI | H10 | 47.5° | 30.0° |
| NAL | CAI | CAK | H9 | 120.8° | 120.0° |
| NAL | CAI | CAK | H10 | 120.8° | 120.1° |
| NAL | CAI | CAK | CAH | 154.6° | 89.9° |
| NAL | CAI | CAK | OAJ | 26.4° | 89.7° |
| CAI | NAL | CAE | H5 | 2.6° | 0.0° |
| CAI | NAL | CAB | H6 | 5.5° | 90.0° |
| CAI | NAL | CAB | H7 | 125.5° | 30.0° |
| CAI | NAL | CAB | H8 | 114.6° | 150.0° |
| NAL | CAI | H9 | H10 | 117.6° | 120.0° |
| CAB | NAL | CAI | CAK | 16.9° | 89.9° |
| CAB | NAL | CAE | H5 | 177.5° | 180.0° |
| NAL | CAB | H6 | H7 | 120.0° | 120.0° |
| NAL | CAB | H6 | H8 | 120.0° | 120.0° |
| NAL | CAB | H7 | H8 | 120.0° | 120.0° |
| CAB | NAL | CAI | H9 | 103.8° | 30.0° |
| CAB | NAL | CAI | H10 | 137.7° | 150.0° |
| CAI | CAK | CAH | OAJ | 179.2° | 179.7° |
| CAI | CAK | CAH | CAF | 179.4° | 179.9° |
| CAI | CAK | OAJ | CAG | 179.5° | 179.9° |
| CAK | CAI | H9 | H10 | 117.6° | 119.9° |
| CAI | CAK | CAH | H13 | 0.6° | 0.0° |
| CAK | CAH | CAF | H13 | 180.0° | 179.9° |
| CAH | CAK | OAJ | CAG | 0.4° | 0.2° |
| CAK | CAH | CAF | CAG | 0.0° | 0.4° |
| CAH | CAK | CAI | H9 | 33.8° | 30.1° |
| CAH | CAK | CAI | H10 | 84.6° | 150.0° |
| CAK | CAH | CAF | H12 | 180.0° | 179.8° |
| OAJ | CAK | CAH | CAF | 0.3° | 0.4° |
| CAK | OAJ | CAG | CAF | 0.4° | 0.0° |
| OAJ | CAK | CAI | H9 | 147.2° | 150.3° |
| OAJ | CAK | CAI | H10 | 94.4° | 30.4° |
| CAK | OAJ | CAG | H11 | 179.6° | 179.9° |
| OAJ | CAK | CAH | H13 | 179.7° | 179.7° |
| CAH | CAF | CAG | OAJ | 0.3° | 0.2° |
| CAH | CAF | CAG | H12 | 180.0° | 179.8° |
| CAH | CAF | CAG | H11 | 179.7° | 179.8° |
| OAJ | CAG | CAF | H11 | 180.0° | 179.9° |
| OAJ | CAG | CAF | H12 | 179.8° | 179.9° |
| CAG | CAF | CAH | H13 | 180.0° | 179.7° |
| H1 | CAC | H2 | H3 | 120.0° | 120.0° |
| H1 | CAC | CAD | H4 | 0.0° | 0.1° |
| H2 | CAC | CAD | H4 | 120.0° | 120.0° |
| H3 | CAC | CAD | H4 | 120.0° | 120.0° |
| H4 | CAD | CAE | H5 | 177.9° | 180.0° |
| H6 | CAB | H7 | H8 | 120.0° | 120.0° |
| H11 | CAG | CAF | H12 | 0.2° | 0.0° |
| H12 | CAF | CAH | H13 | 0.0° | 0.1° |
