4FM
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CL | C7 | sing | 1.74Å | 1.74Å | |
| C7 | C8 | doub | 1.38Å | 1.38Å | Aromatic |
| C7 | C6 | sing | 1.38Å | 1.39Å | Aromatic |
| C8 | C9 | sing | 1.38Å | 1.42Å | Aromatic |
| C6 | C5 | doub | 1.38Å | 1.39Å | Aromatic |
| C9 | C4 | doub | 1.38Å | 1.41Å | Aromatic |
| C5 | C4 | sing | 1.38Å | 1.38Å | Aromatic |
| C4 | C3 | sing | 1.51Å | 1.50Å | |
| C3 | N3 | sing | 1.46Å | 1.46Å | |
| N3 | C2 | sing | 1.35Å | 1.37Å | |
| N2 | C1 | doub | 1.32Å | 1.35Å | Aromatic |
| N2 | O | sing | 1.21Å | 1.32Å | Aromatic |
| C2 | C1 | sing | 1.48Å | 1.46Å | |
| C2 | O1 | doub | 1.22Å | 1.24Å | |
| C1 | C | sing | 1.48Å | 1.47Å | Aromatic |
| O | N1 | sing | 1.21Å | 1.38Å | Aromatic |
| C | N1 | doub | 1.31Å | 1.36Å | Aromatic |
| C | N | sing | 1.39Å | 1.35Å | |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C9 | H8 | sing | 1.08Å | 1.08Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C8 | H7 | sing | 1.08Å | 1.08Å | |
| C3 | H4 | sing | 1.09Å | 1.10Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| N | H1 | sing | 0.97Å | 1.00Å | |
| N | H | sing | 0.97Å | 1.00Å | |
| N3 | H2 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CL | C7 | C8 | 120.3° | 120.0° |
| CL | C7 | C6 | 116.3° | 120.0° |
| C8 | C7 | C6 | 123.4° | 119.9° |
| C7 | C8 | C9 | 117.7° | 120.0° |
| C7 | C8 | H7 | 121.1° | 120.0° |
| C7 | C6 | C5 | 118.5° | 120.0° |
| C7 | C6 | H6 | 120.8° | 120.0° |
| C8 | C9 | C4 | 119.2° | 120.0° |
| C8 | C9 | H8 | 120.4° | 120.0° |
| C9 | C8 | H7 | 121.2° | 120.0° |
| C6 | C5 | C4 | 120.5° | 120.0° |
| C6 | C5 | H5 | 119.8° | 120.0° |
| C5 | C6 | H6 | 120.8° | 120.0° |
| C9 | C4 | C5 | 120.7° | 120.0° |
| C9 | C4 | C3 | 121.7° | 120.0° |
| C4 | C9 | H8 | 120.4° | 120.0° |
| C5 | C4 | C3 | 117.6° | 120.0° |
| C4 | C5 | H5 | 119.8° | 120.0° |
| C4 | C3 | N3 | 109.9° | 109.5° |
| C4 | C3 | H4 | 109.4° | 109.4° |
| C4 | C3 | H3 | 109.4° | 109.5° |
| C3 | N3 | C2 | 121.6° | 120.0° |
| N3 | C3 | H4 | 109.4° | 109.5° |
| N3 | C3 | H3 | 109.4° | 109.5° |
| C3 | N3 | H2 | 119.2° | 120.0° |
| N3 | C2 | C1 | 113.6° | 120.0° |
| N3 | C2 | O1 | 123.8° | 120.0° |
| C2 | N3 | H2 | 119.2° | 120.0° |
| C1 | N2 | O | 107.5° | 109.4° |
| N2 | C1 | C2 | 126.4° | 128.7° |
| N2 | C1 | C | 107.2° | 102.5° |
| N2 | O | N1 | 113.0° | 116.1° |
| C1 | C2 | O1 | 122.6° | 120.0° |
| C2 | C1 | C | 126.4° | 128.7° |
| C1 | C | N1 | 106.1° | 102.5° |
| C1 | C | N | 126.3° | 128.7° |
| O | N1 | C | 106.2° | 109.5° |
| N1 | C | N | 127.5° | 128.7° |
| C | N | H1 | 109.5° | 120.0° |
| C | N | H | 109.5° | 120.0° |
| H4 | C3 | H3 | 109.4° | 109.4° |
| H1 | N | H | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CL | C7 | C8 | C6 | 178.5° | 179.7° |
| CL | C7 | C8 | C9 | 177.2° | 180.0° |
| CL | C7 | C6 | C5 | 177.2° | 179.7° |
| CL | C7 | C6 | H6 | 2.8° | 0.3° |
| CL | C7 | C8 | H7 | 2.8° | 0.6° |
| C7 | C8 | C9 | H7 | 180.0° | 179.5° |
| C8 | C7 | C6 | C5 | 1.3° | 0.0° |
| C7 | C8 | C9 | C4 | 0.2° | 0.5° |
| C7 | C8 | C9 | H8 | 179.8° | 179.9° |
| C8 | C7 | C6 | H6 | 178.7° | 180.0° |
| C6 | C7 | C8 | C9 | 1.2° | 0.3° |
| C7 | C6 | C5 | H6 | 180.0° | 180.0° |
| C7 | C6 | C5 | C4 | 0.3° | 0.0° |
| C7 | C6 | C5 | H5 | 179.6° | 179.8° |
| C6 | C7 | C8 | H7 | 178.8° | 179.7° |
| C8 | C9 | C4 | H8 | 180.0° | 179.5° |
| C8 | C9 | C4 | C5 | 0.7° | 0.5° |
| C8 | C9 | C4 | C3 | 178.1° | 179.5° |
| C6 | C5 | C4 | C9 | 0.7° | 0.2° |
| C6 | C5 | C4 | H5 | 180.0° | 179.8° |
| C6 | C5 | C4 | C3 | 178.3° | 179.8° |
| C9 | C4 | C5 | C3 | 178.9° | 180.0° |
| C9 | C4 | C3 | N3 | 5.4° | 90.0° |
| C9 | C4 | C5 | H5 | 179.4° | 180.0° |
| C4 | C9 | C8 | H7 | 179.8° | 180.0° |
| C9 | C4 | C3 | H4 | 125.4° | 30.0° |
| C9 | C4 | C3 | H3 | 114.7° | 150.0° |
| C5 | C4 | C3 | N3 | 175.7° | 90.0° |
| C5 | C4 | C9 | H8 | 179.2° | 180.0° |
| C4 | C5 | C6 | H6 | 179.7° | 180.0° |
| C5 | C4 | C3 | H4 | 55.7° | 150.0° |
| C5 | C4 | C3 | H3 | 64.2° | 30.0° |
| C4 | C3 | N3 | H4 | 120.1° | 120.0° |
| C4 | C3 | N3 | H3 | 120.1° | 120.1° |
| C4 | C3 | N3 | C2 | 138.4° | 180.0° |
| C3 | C4 | C5 | H5 | 1.7° | 0.0° |
| C3 | C4 | C9 | H8 | 1.9° | 0.0° |
| C4 | C3 | H4 | H3 | 119.8° | 120.0° |
| C4 | C3 | N3 | H2 | 41.6° | 0.1° |
| C3 | N3 | C2 | H2 | 180.0° | 179.9° |
| C3 | N3 | C2 | C1 | 179.4° | 180.0° |
| C3 | N3 | C2 | O1 | 1.6° | 0.0° |
| N3 | C3 | H4 | H3 | 119.8° | 120.0° |
| N3 | C2 | C1 | N2 | 0.8° | 0.3° |
| N3 | C2 | C1 | O1 | 179.0° | 180.0° |
| N3 | C2 | C1 | C | 178.8° | 180.0° |
| C2 | N3 | C3 | H4 | 101.5° | 60.0° |
| C2 | N3 | C3 | H3 | 18.4° | 60.0° |
| N2 | C1 | C2 | C | 178.0° | 179.7° |
| N2 | C1 | C2 | O1 | 178.2° | 179.7° |
| C1 | N2 | O | N1 | 0.0° | 0.3° |
| N2 | C1 | C | N1 | 0.3° | 0.3° |
| N2 | C1 | C | N | 179.7° | 179.8° |
| O | N2 | C1 | C2 | 178.2° | 179.7° |
| O | N2 | C1 | C | 0.1° | 0.0° |
| N2 | O | N1 | C | 0.2° | 0.5° |
| C2 | C1 | C | N1 | 178.1° | 180.0° |
| C2 | C1 | C | N | 2.0° | 0.0° |
| C1 | C2 | N3 | H2 | 0.6° | 0.0° |
| O1 | C2 | C1 | C | 0.2° | 0.1° |
| O1 | C2 | N3 | H2 | 178.4° | 179.9° |
| C1 | C | N1 | O | 0.3° | 0.5° |
| C1 | C | N1 | N | 179.9° | 180.0° |
| C1 | C | N | H1 | 179.9° | 0.1° |
| C1 | C | N | H | 60.1° | 180.0° |
| O | N1 | C | N | 179.6° | 179.6° |
| N1 | C | N | H1 | 0.0° | 180.0° |
| N1 | C | N | H | 120.0° | 0.1° |
| C | N | H1 | H | 120.0° | 179.9° |
| H5 | C5 | C6 | H6 | 0.3° | 0.2° |
| H8 | C9 | C8 | H7 | 0.1° | 0.5° |
| H4 | C3 | N3 | H2 | 78.5° | 120.1° |
| H3 | C3 | N3 | H2 | 161.7° | 120.0° |
