7MU
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CL | C09 | sing | 1.74Å | 1.74Å | |
| C08 | C09 | doub | 1.39Å | 1.41Å | Aromatic |
| C08 | C07 | sing | 1.39Å | 1.38Å | Aromatic |
| C09 | C10 | sing | 1.39Å | 1.41Å | Aromatic |
| C07 | N06 | doub | 1.31Å | 1.32Å | Aromatic |
| C10 | C05 | doub | 1.39Å | 1.39Å | Aromatic |
| N06 | C05 | sing | 1.33Å | 1.33Å | Aromatic |
| C05 | C03 | sing | 1.48Å | 1.51Å | |
| O04 | C03 | doub | 1.21Å | 1.23Å | |
| C03 | N02 | sing | 1.35Å | 1.44Å | |
| N02 | C01 | sing | 1.46Å | 1.41Å | |
| C01 | H1 | sing | 1.09Å | 1.10Å | |
| C01 | H2 | sing | 1.09Å | 1.10Å | |
| C01 | H3 | sing | 1.09Å | 1.10Å | |
| N02 | H4 | sing | 0.97Å | 1.00Å | |
| C07 | H5 | sing | 1.08Å | 1.08Å | |
| C08 | H6 | sing | 1.08Å | 1.08Å | |
| C10 | H7 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CL | C09 | C08 | 120.5° | 120.8° |
| CL | C09 | C10 | 121.2° | 120.7° |
| C09 | C08 | C07 | 120.4° | 119.3° |
| C08 | C09 | C10 | 118.3° | 118.5° |
| C09 | C08 | H6 | 119.8° | 120.3° |
| C08 | C07 | N06 | 119.4° | 120.9° |
| C08 | C07 | H5 | 120.3° | 119.5° |
| C07 | C08 | H6 | 119.8° | 120.4° |
| C09 | C10 | C05 | 117.1° | 119.0° |
| C09 | C10 | H7 | 121.4° | 120.5° |
| C07 | N06 | C05 | 122.2° | 121.7° |
| N06 | C07 | H5 | 120.3° | 119.6° |
| C10 | C05 | N06 | 122.6° | 120.5° |
| C10 | C05 | C03 | 120.2° | 119.7° |
| C05 | C10 | H7 | 121.5° | 120.5° |
| N06 | C05 | C03 | 117.2° | 119.7° |
| C05 | C03 | O04 | 121.6° | 120.0° |
| C05 | C03 | N02 | 118.6° | 120.0° |
| O04 | C03 | N02 | 119.8° | 120.0° |
| C03 | N02 | C01 | 119.3° | 120.0° |
| C03 | N02 | H4 | 120.4° | 120.0° |
| N02 | C01 | H1 | 109.5° | 109.5° |
| N02 | C01 | H2 | 109.5° | 109.4° |
| N02 | C01 | H3 | 109.4° | 109.4° |
| C01 | N02 | H4 | 120.3° | 120.0° |
| H1 | C01 | H2 | 109.5° | 109.5° |
| H1 | C01 | H3 | 109.5° | 109.5° |
| H2 | C01 | H3 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CL | C09 | C08 | C10 | 180.0° | 179.8° |
| CL | C09 | C08 | C07 | 180.0° | 180.0° |
| CL | C09 | C10 | C05 | 179.9° | 179.7° |
| CL | C09 | C08 | H6 | 0.0° | 0.3° |
| CL | C09 | C10 | H7 | 0.1° | 0.3° |
| C09 | C08 | C07 | H6 | 180.0° | 179.7° |
| C09 | C08 | C07 | N06 | 0.0° | 0.0° |
| C08 | C09 | C10 | C05 | 0.1° | 0.6° |
| C09 | C08 | C07 | H5 | 180.0° | 180.0° |
| C08 | C09 | C10 | H7 | 179.9° | 180.0° |
| C07 | C08 | C09 | C10 | 0.1° | 0.3° |
| C08 | C07 | N06 | H5 | 180.0° | 180.0° |
| C08 | C07 | N06 | C05 | 0.0° | 0.0° |
| C09 | C10 | C05 | H7 | 180.0° | 179.4° |
| C09 | C10 | C05 | N06 | 0.1° | 0.6° |
| C09 | C10 | C05 | C03 | 179.9° | 179.7° |
| C10 | C09 | C08 | H6 | 179.9° | 180.0° |
| C07 | N06 | C05 | C10 | 0.0° | 0.3° |
| C07 | N06 | C05 | C03 | 180.0° | 180.0° |
| N06 | C07 | C08 | H6 | 180.0° | 179.7° |
| C10 | C05 | N06 | C03 | 180.0° | 179.7° |
| C10 | C05 | C03 | O04 | 28.2° | 0.3° |
| C10 | C05 | C03 | N02 | 151.9° | 179.8° |
| N06 | C05 | C03 | O04 | 151.8° | 180.0° |
| N06 | C05 | C03 | N02 | 28.1° | 0.0° |
| C05 | N06 | C07 | H5 | 179.9° | 180.0° |
| N06 | C05 | C10 | H7 | 179.9° | 180.0° |
| C05 | C03 | O04 | N02 | 179.9° | 180.0° |
| C05 | C03 | N02 | C01 | 179.9° | 180.0° |
| C05 | C03 | N02 | H4 | 0.2° | 0.0° |
| C03 | C05 | C10 | H7 | 0.1° | 0.3° |
| O04 | C03 | N02 | C01 | 0.1° | 0.0° |
| O04 | C03 | N02 | H4 | 179.9° | 180.0° |
| C03 | N02 | C01 | H4 | 180.0° | 180.0° |
| C03 | N02 | C01 | H1 | 180.0° | 180.0° |
| C03 | N02 | C01 | H2 | 60.0° | 60.0° |
| C03 | N02 | C01 | H3 | 60.0° | 59.9° |
| N02 | C01 | H1 | H2 | 120.0° | 120.0° |
| N02 | C01 | H1 | H3 | 120.0° | 120.0° |
| N02 | C01 | H2 | H3 | 120.0° | 120.0° |
| H1 | C01 | H2 | H3 | 120.0° | 120.0° |
| H1 | C01 | N02 | H4 | 0.0° | 0.0° |
| H2 | C01 | N02 | H4 | 120.1° | 120.0° |
| H3 | C01 | N02 | H4 | 120.0° | 120.0° |
| H5 | C07 | C08 | H6 | 0.0° | 0.3° |
