0OI
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C01 | N02 | sing | 1.46Å | 1.43Å | |
| O12 | C03 | doub | 1.22Å | 1.15Å | |
| N02 | C03 | sing | 1.35Å | 1.41Å | |
| C03 | N04 | sing | 1.35Å | 1.43Å | |
| N04 | C05 | sing | 1.40Å | 1.42Å | |
| C06 | C05 | doub | 1.39Å | 1.37Å | Aromatic |
| C06 | C07 | sing | 1.38Å | 1.38Å | Aromatic |
| C05 | C10 | sing | 1.39Å | 1.37Å | Aromatic |
| C07 | C08 | doub | 1.38Å | 1.38Å | Aromatic |
| C10 | F11 | sing | 1.35Å | 1.34Å | |
| C10 | C09 | doub | 1.38Å | 1.36Å | Aromatic |
| C08 | C09 | sing | 1.38Å | 1.37Å | Aromatic |
| C01 | H1 | sing | 1.09Å | 1.10Å | |
| C01 | H2 | sing | 1.09Å | 1.10Å | |
| C01 | H3 | sing | 1.09Å | 1.10Å | |
| C06 | H4 | sing | 1.08Å | 1.08Å | |
| C07 | H5 | sing | 1.08Å | 1.08Å | |
| C08 | H6 | sing | 1.08Å | 1.08Å | |
| C09 | H7 | sing | 1.08Å | 1.08Å | |
| N02 | H8 | sing | 0.97Å | 1.00Å | |
| N04 | H9 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C01 | N02 | C03 | 120.1° | 120.0° |
| N02 | C01 | H1 | 109.5° | 109.5° |
| N02 | C01 | H2 | 109.5° | 109.5° |
| N02 | C01 | H3 | 109.5° | 109.5° |
| C01 | N02 | H8 | 120.0° | 120.0° |
| O12 | C03 | N02 | 120.5° | 120.0° |
| O12 | C03 | N04 | 124.6° | 120.1° |
| N02 | C03 | N04 | 114.9° | 120.0° |
| C03 | N02 | H8 | 119.9° | 120.0° |
| C03 | N04 | C05 | 128.8° | 120.0° |
| C03 | N04 | H9 | 115.6° | 120.0° |
| N04 | C05 | C06 | 123.2° | 120.1° |
| N04 | C05 | C10 | 115.8° | 120.1° |
| C05 | N04 | H9 | 115.6° | 120.0° |
| C05 | C06 | C07 | 117.4° | 120.0° |
| C06 | C05 | C10 | 121.0° | 119.9° |
| C05 | C06 | H4 | 121.3° | 120.0° |
| C06 | C07 | C08 | 121.1° | 120.1° |
| C07 | C06 | H4 | 121.3° | 120.0° |
| C06 | C07 | H5 | 119.4° | 119.9° |
| C05 | C10 | F11 | 118.9° | 120.1° |
| C05 | C10 | C09 | 122.0° | 119.9° |
| C07 | C08 | C09 | 120.9° | 120.2° |
| C08 | C07 | H5 | 119.4° | 120.0° |
| C07 | C08 | H6 | 119.5° | 119.9° |
| F11 | C10 | C09 | 119.1° | 120.0° |
| C10 | C09 | C08 | 117.6° | 120.0° |
| C10 | C09 | H7 | 121.2° | 120.0° |
| C09 | C08 | H6 | 119.6° | 119.9° |
| C08 | C09 | H7 | 121.2° | 120.0° |
| H1 | C01 | H2 | 109.5° | 109.4° |
| 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) |
| C01 | N02 | C03 | O12 | 0.7° | 0.1° |
| C01 | N02 | C03 | H8 | 180.0° | 179.9° |
| C01 | N02 | C03 | N04 | 178.3° | 180.0° |
| N02 | C01 | H1 | H2 | 120.0° | 120.0° |
| N02 | C01 | H1 | H3 | 120.0° | 120.1° |
| N02 | C01 | H2 | H3 | 120.0° | 120.1° |
| O12 | C03 | N02 | N04 | 179.0° | 179.9° |
| O12 | C03 | N04 | C05 | 0.2° | 4.6° |
| O12 | C03 | N02 | H8 | 179.3° | 180.0° |
| O12 | C03 | N04 | H9 | 179.8° | 175.5° |
| N02 | C03 | N04 | C05 | 179.2° | 175.6° |
| C03 | N02 | C01 | H1 | 180.0° | 180.0° |
| C03 | N02 | C01 | H2 | 60.0° | 60.1° |
| C03 | N02 | C01 | H3 | 60.0° | 59.9° |
| N02 | C03 | N04 | H9 | 0.8° | 4.4° |
| C03 | N04 | C05 | H9 | 180.0° | 179.9° |
| C03 | N04 | C05 | C06 | 11.4° | 34.7° |
| C03 | N04 | C05 | C10 | 168.1° | 145.6° |
| N04 | C03 | N02 | H8 | 1.7° | 0.1° |
| N04 | C05 | C06 | C10 | 179.4° | 179.7° |
| N04 | C05 | C06 | C07 | 179.6° | 179.7° |
| N04 | C05 | C10 | F11 | 0.3° | 0.3° |
| N04 | C05 | C10 | C09 | 179.5° | 179.7° |
| N04 | C05 | C06 | H4 | 0.4° | 0.3° |
| C05 | C06 | C07 | H4 | 180.0° | 179.9° |
| C05 | C06 | C07 | C08 | 0.7° | 0.0° |
| C06 | C05 | C10 | F11 | 179.7° | 180.0° |
| C06 | C05 | C10 | C09 | 0.0° | 0.0° |
| C05 | C06 | C07 | H5 | 179.3° | 180.0° |
| C06 | C05 | N04 | H9 | 168.6° | 145.4° |
| C07 | C06 | C05 | C10 | 0.9° | 0.0° |
| C06 | C07 | C08 | H5 | 180.0° | 180.0° |
| C06 | C07 | C08 | C09 | 0.4° | 0.0° |
| C06 | C07 | C08 | H6 | 179.6° | 180.0° |
| C05 | C10 | F11 | C09 | 179.8° | 180.0° |
| C05 | C10 | C09 | C08 | 1.1° | 0.0° |
| C10 | C05 | C06 | H4 | 179.1° | 180.0° |
| C05 | C10 | C09 | H7 | 178.9° | 180.0° |
| C10 | C05 | N04 | H9 | 12.0° | 34.4° |
| C07 | C08 | C09 | C10 | 1.3° | 0.0° |
| C07 | C08 | C09 | H6 | 180.0° | 179.9° |
| C08 | C07 | C06 | H4 | 179.3° | 180.0° |
| C07 | C08 | C09 | H7 | 178.7° | 180.0° |
| F11 | C10 | C09 | C08 | 179.1° | 180.0° |
| F11 | C10 | C09 | H7 | 0.9° | 0.0° |
| C10 | C09 | C08 | H7 | 180.0° | 180.0° |
| C10 | C09 | C08 | H6 | 178.7° | 180.0° |
| C09 | C08 | C07 | H5 | 179.6° | 180.0° |
| H1 | C01 | H2 | H3 | 120.0° | 120.0° |
| H1 | C01 | N02 | H8 | 0.0° | 0.1° |
| H2 | C01 | N02 | H8 | 120.0° | 120.0° |
| H3 | C01 | N02 | H8 | 120.0° | 120.0° |
| H4 | C06 | C07 | H5 | 0.7° | 0.0° |
| H5 | C07 | C08 | H6 | 0.4° | 0.0° |
| H6 | C08 | C09 | H7 | 1.3° | 0.1° |
