UI7
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O03 | C02 | doub | 1.21Å | 1.19Å | |
| C01 | C02 | sing | 1.51Å | 1.53Å | |
| C02 | N04 | sing | 1.35Å | 1.48Å | |
| N04 | C05 | sing | 1.40Å | 1.54Å | |
| C06 | C05 | doub | 1.39Å | 1.44Å | Aromatic |
| C06 | C07 | sing | 1.38Å | 1.41Å | Aromatic |
| C05 | C12 | sing | 1.39Å | 1.42Å | Aromatic |
| C07 | C08 | doub | 1.38Å | 1.40Å | Aromatic |
| C12 | C09 | doub | 1.38Å | 1.39Å | Aromatic |
| C08 | C09 | sing | 1.38Å | 1.45Å | Aromatic |
| C09 | C10 | sing | 1.51Å | 1.55Å | |
| C10 | O11 | sing | 1.43Å | 1.46Å | |
| C10 | H1 | sing | 1.09Å | 1.10Å | |
| C10 | H2 | sing | 1.09Å | 1.10Å | |
| C01 | H3 | sing | 1.09Å | 1.10Å | |
| C01 | H4 | sing | 1.09Å | 1.10Å | |
| C01 | H5 | sing | 1.09Å | 1.10Å | |
| C06 | H6 | sing | 1.08Å | 1.08Å | |
| C07 | H7 | sing | 1.08Å | 1.08Å | |
| C08 | H8 | sing | 1.08Å | 1.08Å | |
| C12 | H9 | sing | 1.08Å | 1.08Å | |
| N04 | H10 | sing | 0.97Å | 1.00Å | |
| O11 | H11 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O03 | C02 | C01 | 119.9° | 120.0° |
| O03 | C02 | N04 | 122.2° | 120.0° |
| C01 | C02 | N04 | 117.9° | 120.0° |
| C02 | C01 | H3 | 109.5° | 109.5° |
| C02 | C01 | H4 | 109.5° | 109.5° |
| C02 | C01 | H5 | 109.5° | 109.5° |
| C02 | N04 | C05 | 125.8° | 120.0° |
| C02 | N04 | H10 | 117.1° | 120.0° |
| N04 | C05 | C06 | 122.1° | 120.1° |
| N04 | C05 | C12 | 117.8° | 120.1° |
| C05 | N04 | H10 | 117.1° | 120.0° |
| C05 | C06 | C07 | 119.6° | 119.9° |
| C06 | C05 | C12 | 120.1° | 119.8° |
| C05 | C06 | H6 | 120.2° | 120.0° |
| C06 | C07 | C08 | 120.3° | 120.1° |
| C07 | C06 | H6 | 120.2° | 120.1° |
| C06 | C07 | H7 | 119.8° | 119.9° |
| C05 | C12 | C09 | 119.8° | 120.0° |
| C05 | C12 | H9 | 120.1° | 120.0° |
| C07 | C08 | C09 | 120.0° | 120.1° |
| C08 | C07 | H7 | 119.9° | 120.0° |
| C07 | C08 | H8 | 120.0° | 120.0° |
| C12 | C09 | C08 | 120.2° | 120.1° |
| C12 | C09 | C10 | 120.6° | 120.0° |
| C09 | C12 | H9 | 120.1° | 120.1° |
| C08 | C09 | C10 | 119.2° | 119.9° |
| C09 | C08 | H8 | 120.0° | 119.9° |
| C09 | C10 | O11 | 107.0° | 109.4° |
| C09 | C10 | H1 | 110.1° | 109.4° |
| C09 | C10 | H2 | 110.1° | 109.5° |
| O11 | C10 | H1 | 110.1° | 109.5° |
| O11 | C10 | H2 | 110.1° | 109.5° |
| C10 | O11 | H11 | 109.5° | 113.9° |
| H1 | C10 | H2 | 109.5° | 109.5° |
| H3 | C01 | H4 | 109.5° | 109.5° |
| H3 | C01 | H5 | 109.4° | 109.5° |
| H4 | C01 | H5 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O03 | C02 | C01 | N04 | 179.0° | 180.0° |
| O03 | C02 | N04 | C05 | 3.2° | 4.7° |
| O03 | C02 | C01 | H3 | 0.0° | 180.0° |
| O03 | C02 | C01 | H4 | 120.0° | 59.9° |
| O03 | C02 | C01 | H5 | 120.0° | 60.0° |
| O03 | C02 | N04 | H10 | 176.8° | 175.4° |
| C01 | C02 | N04 | C05 | 177.9° | 175.4° |
| C02 | C01 | H3 | H4 | 120.0° | 120.0° |
| C02 | C01 | H3 | H5 | 120.0° | 120.0° |
| C02 | C01 | H4 | H5 | 120.0° | 119.9° |
| C01 | C02 | N04 | H10 | 2.2° | 4.6° |
| C02 | N04 | C05 | H10 | 180.0° | 180.0° |
| C02 | N04 | C05 | C06 | 20.6° | 35.4° |
| C02 | N04 | C05 | C12 | 158.1° | 144.9° |
| N04 | C02 | C01 | H3 | 179.0° | 0.0° |
| N04 | C02 | C01 | H4 | 59.0° | 120.1° |
| N04 | C02 | C01 | H5 | 61.0° | 120.0° |
| N04 | C05 | C06 | C12 | 178.7° | 179.7° |
| N04 | C05 | C06 | C07 | 179.8° | 179.7° |
| N04 | C05 | C12 | C09 | 179.2° | 179.7° |
| N04 | C05 | C06 | H6 | 0.2° | 0.3° |
| N04 | C05 | C12 | H9 | 0.9° | 0.2° |
| C05 | C06 | C07 | H6 | 180.0° | 180.0° |
| C05 | C06 | C07 | C08 | 1.0° | 0.0° |
| C06 | C05 | C12 | C09 | 0.4° | 0.0° |
| C05 | C06 | C07 | H7 | 179.0° | 180.0° |
| C06 | C05 | C12 | H9 | 179.6° | 179.9° |
| C06 | C05 | N04 | H10 | 159.3° | 144.6° |
| C07 | C06 | C05 | C12 | 1.1° | 0.0° |
| C06 | C07 | C08 | H7 | 180.0° | 180.0° |
| C06 | C07 | C08 | C09 | 0.3° | 0.0° |
| C06 | C07 | C08 | H8 | 179.7° | 180.0° |
| C05 | C12 | C09 | H9 | 180.0° | 179.9° |
| C05 | C12 | C09 | C08 | 0.3° | 0.0° |
| C05 | C12 | C09 | C10 | 180.0° | 180.0° |
| C12 | C05 | C06 | H6 | 178.9° | 180.0° |
| C12 | C05 | N04 | H10 | 21.9° | 35.0° |
| C07 | C08 | C09 | C12 | 0.4° | 0.0° |
| C07 | C08 | C09 | H8 | 180.0° | 179.9° |
| C07 | C08 | C09 | C10 | 179.9° | 179.9° |
| C08 | C07 | C06 | H6 | 178.9° | 180.0° |
| C12 | C09 | C08 | C10 | 179.7° | 180.0° |
| C12 | C09 | C10 | O11 | 65.2° | 90.0° |
| C12 | C09 | C10 | H1 | 175.2° | 30.0° |
| C12 | C09 | C10 | H2 | 54.4° | 150.0° |
| C12 | C09 | C08 | H8 | 179.6° | 180.0° |
| C08 | C09 | C10 | O11 | 114.5° | 90.0° |
| C08 | C09 | C10 | H1 | 5.1° | 150.0° |
| C08 | C09 | C10 | H2 | 125.9° | 30.0° |
| C09 | C08 | C07 | H7 | 179.7° | 180.0° |
| C08 | C09 | C12 | H9 | 179.7° | 179.9° |
| C09 | C10 | O11 | H1 | 119.6° | 119.9° |
| C09 | C10 | O11 | H2 | 119.6° | 120.0° |
| C09 | C10 | H1 | H2 | 121.1° | 120.0° |
| C10 | C09 | C08 | H8 | 0.1° | 0.0° |
| C10 | C09 | C12 | H9 | 0.1° | 0.1° |
| C09 | C10 | O11 | H11 | 180.0° | 180.0° |
| O11 | C10 | H1 | H2 | 121.1° | 120.1° |
| H1 | C10 | O11 | H11 | 60.4° | 60.1° |
| H2 | C10 | O11 | H11 | 60.4° | 60.0° |
| H3 | C01 | H4 | H5 | 120.0° | 120.0° |
| H6 | C06 | C07 | H7 | 1.1° | 0.0° |
| H7 | C07 | C08 | H8 | 0.3° | 0.0° |
