U5H
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C04 | N03 | sing | 1.47Å | 1.46Å | |
| O01 | C02 | doub | 1.21Å | 1.19Å | |
| N03 | C02 | sing | 1.34Å | 1.50Å | |
| N03 | C05 | sing | 1.47Å | 1.44Å | |
| C02 | C13 | sing | 1.51Å | 1.46Å | |
| C05 | C12 | sing | 1.54Å | 1.56Å | |
| C05 | C06 | sing | 1.51Å | 1.51Å | |
| C13 | C12 | sing | 1.55Å | 1.52Å | |
| C11 | C06 | doub | 1.39Å | 1.38Å | Aromatic |
| C11 | C10 | sing | 1.39Å | 1.39Å | Aromatic |
| C06 | C07 | sing | 1.38Å | 1.39Å | Aromatic |
| C10 | C09 | doub | 1.38Å | 1.39Å | Aromatic |
| C07 | N08 | doub | 1.32Å | 1.32Å | Aromatic |
| C09 | N08 | sing | 1.32Å | 1.32Å | Aromatic |
| C04 | H1 | sing | 1.09Å | 1.10Å | |
| C04 | H2 | sing | 1.09Å | 1.10Å | |
| C04 | H3 | sing | 1.09Å | 1.10Å | |
| C05 | H4 | sing | 1.09Å | 1.10Å | |
| C07 | H5 | sing | 1.08Å | 1.08Å | |
| C09 | H6 | sing | 1.08Å | 1.08Å | |
| C10 | H7 | sing | 1.08Å | 1.08Å | |
| C11 | H8 | sing | 1.08Å | 1.08Å | |
| C12 | H9 | sing | 1.09Å | 1.10Å | |
| C12 | H10 | sing | 1.09Å | 1.10Å | |
| C13 | H11 | sing | 1.09Å | 1.10Å | |
| C13 | H12 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C04 | N03 | C02 | 124.2° | 124.3° |
| C04 | N03 | C05 | 126.4° | 124.4° |
| N03 | C04 | H1 | 109.5° | 109.5° |
| N03 | C04 | H2 | 109.4° | 109.4° |
| N03 | C04 | H3 | 109.5° | 109.5° |
| O01 | C02 | N03 | 124.6° | 125.0° |
| O01 | C02 | C13 | 127.2° | 124.9° |
| C02 | N03 | C05 | 109.4° | 111.3° |
| N03 | C02 | C13 | 108.2° | 110.1° |
| N03 | C05 | C12 | 105.7° | 105.5° |
| N03 | C05 | C06 | 111.2° | 110.3° |
| N03 | C05 | H4 | 110.3° | 110.3° |
| C02 | C13 | C12 | 106.5° | 104.2° |
| C02 | C13 | H11 | 110.2° | 110.5° |
| C02 | C13 | H12 | 110.2° | 110.4° |
| C12 | C05 | C06 | 111.7° | 110.3° |
| C05 | C12 | C13 | 104.8° | 101.7° |
| C12 | C05 | H4 | 108.7° | 110.3° |
| C05 | C12 | H9 | 110.6° | 111.0° |
| C05 | C12 | H10 | 110.6° | 111.0° |
| C05 | C06 | C11 | 120.3° | 120.5° |
| C05 | C06 | C07 | 120.9° | 120.4° |
| C06 | C05 | H4 | 109.3° | 110.2° |
| C13 | C12 | H9 | 110.6° | 110.9° |
| C13 | C12 | H10 | 110.6° | 111.0° |
| C12 | C13 | H11 | 110.2° | 110.5° |
| C12 | C13 | H12 | 110.2° | 110.5° |
| C06 | C11 | C10 | 118.5° | 118.5° |
| C11 | C06 | C07 | 118.8° | 119.1° |
| C06 | C11 | H8 | 120.8° | 120.7° |
| C11 | C10 | C09 | 119.2° | 119.2° |
| C11 | C10 | H7 | 120.4° | 120.4° |
| C10 | C11 | H8 | 120.7° | 120.8° |
| C06 | C07 | N08 | 121.3° | 120.8° |
| C06 | C07 | H5 | 119.3° | 119.6° |
| C10 | C09 | N08 | 121.0° | 120.8° |
| C10 | C09 | H6 | 119.5° | 119.7° |
| C09 | C10 | H7 | 120.4° | 120.4° |
| C07 | N08 | C09 | 121.2° | 121.7° |
| N08 | C07 | H5 | 119.3° | 119.7° |
| N08 | C09 | H6 | 119.5° | 119.6° |
| H1 | C04 | H2 | 109.5° | 109.5° |
| H1 | C04 | H3 | 109.5° | 109.5° |
| H2 | C04 | H3 | 109.4° | 109.4° |
| H9 | C12 | H10 | 109.5° | 110.9° |
| H11 | C13 | H12 | 109.4° | 110.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C04 | N03 | C02 | O01 | 1.4° | 0.5° |
| C04 | N03 | C02 | C05 | 178.6° | 179.9° |
| C04 | N03 | C02 | C13 | 179.3° | 179.6° |
| C04 | N03 | C05 | C12 | 166.8° | 163.0° |
| C04 | N03 | C05 | C06 | 45.5° | 77.9° |
| N03 | C04 | H1 | H2 | 120.0° | 119.9° |
| N03 | C04 | H1 | H3 | 120.0° | 120.1° |
| N03 | C04 | H2 | H3 | 120.0° | 120.0° |
| C04 | N03 | C05 | H4 | 75.9° | 44.0° |
| O01 | C02 | N03 | C13 | 179.3° | 179.8° |
| O01 | C02 | N03 | C05 | 180.0° | 179.4° |
| O01 | C02 | C13 | C12 | 165.3° | 163.9° |
| O01 | C02 | C13 | H11 | 75.1° | 45.2° |
| O01 | C02 | C13 | H12 | 45.8° | 77.4° |
| C02 | N03 | C05 | C12 | 14.7° | 17.1° |
| C02 | N03 | C05 | C06 | 136.0° | 102.0° |
| N03 | C02 | C13 | C12 | 13.9° | 16.2° |
| C02 | N03 | C04 | H1 | 180.0° | 0.1° |
| C02 | N03 | C04 | H2 | 60.0° | 120.1° |
| C02 | N03 | C04 | H3 | 60.0° | 120.0° |
| C02 | N03 | C05 | H4 | 102.6° | 136.1° |
| N03 | C02 | C13 | H11 | 105.6° | 134.9° |
| N03 | C02 | C13 | H12 | 133.5° | 102.5° |
| C05 | N03 | C02 | C13 | 0.7° | 0.5° |
| N03 | C05 | C12 | C06 | 121.0° | 119.0° |
| N03 | C05 | C12 | H4 | 118.3° | 119.1° |
| N03 | C05 | C06 | H4 | 122.0° | 121.9° |
| N03 | C05 | C12 | C13 | 22.7° | 25.5° |
| N03 | C05 | C06 | C11 | 130.3° | 143.7° |
| N03 | C05 | C06 | C07 | 49.7° | 36.1° |
| C05 | N03 | C04 | H1 | 1.6° | 180.0° |
| C05 | N03 | C04 | H2 | 121.7° | 60.0° |
| C05 | N03 | C04 | H3 | 118.4° | 59.9° |
| N03 | C05 | C12 | H9 | 96.5° | 143.5° |
| N03 | C05 | C12 | H10 | 142.0° | 92.7° |
| C02 | C13 | C12 | C05 | 22.3° | 24.8° |
| C02 | C13 | C12 | H11 | 119.5° | 118.7° |
| C02 | C13 | C12 | H12 | 119.6° | 118.7° |
| C02 | C13 | C12 | H9 | 96.9° | 142.9° |
| C02 | C13 | C12 | H10 | 141.6° | 93.4° |
| C02 | C13 | H11 | H12 | 121.4° | 122.5° |
| C12 | C05 | C06 | H4 | 120.3° | 121.9° |
| C05 | C12 | C13 | H9 | 119.2° | 118.1° |
| C05 | C12 | C13 | H10 | 119.3° | 118.2° |
| C12 | C05 | C06 | C11 | 112.0° | 100.2° |
| C12 | C05 | C06 | C07 | 68.1° | 80.0° |
| C05 | C12 | H9 | H10 | 122.2° | 123.9° |
| C05 | C12 | C13 | H11 | 97.2° | 143.5° |
| C05 | C12 | C13 | H12 | 141.9° | 93.9° |
| C06 | C05 | C12 | C13 | 143.7° | 93.6° |
| C05 | C06 | C11 | C07 | 180.0° | 179.8° |
| C05 | C06 | C11 | C10 | 179.9° | 180.0° |
| C05 | C06 | C07 | N08 | 179.7° | 180.0° |
| C05 | C06 | C07 | H5 | 0.3° | 0.0° |
| C05 | C06 | C11 | H8 | 0.1° | 0.1° |
| C06 | C05 | C12 | H9 | 24.5° | 24.5° |
| C06 | C05 | C12 | H10 | 97.0° | 148.3° |
| C13 | C12 | C05 | H4 | 95.6° | 144.5° |
| C13 | C12 | H9 | H10 | 122.2° | 123.8° |
| C12 | C13 | H11 | H12 | 121.4° | 122.7° |
| C06 | C11 | C10 | H8 | 180.0° | 179.8° |
| C06 | C11 | C10 | C09 | 0.5° | 0.1° |
| C11 | C06 | C07 | N08 | 0.3° | 0.2° |
| C11 | C06 | C05 | H4 | 8.3° | 21.7° |
| C11 | C06 | C07 | H5 | 179.7° | 179.8° |
| C06 | C11 | C10 | H7 | 179.5° | 179.8° |
| C10 | C11 | C06 | C07 | 0.2° | 0.2° |
| C11 | C10 | C09 | H7 | 180.0° | 179.7° |
| C11 | C10 | C09 | N08 | 0.3° | 0.3° |
| C11 | C10 | C09 | H6 | 179.6° | 180.0° |
| C06 | C07 | N08 | H5 | 180.0° | 180.0° |
| C06 | C07 | N08 | C09 | 0.5° | 0.0° |
| C07 | C06 | C05 | H4 | 171.7° | 158.1° |
| C07 | C06 | C11 | H8 | 179.8° | 179.7° |
| C10 | C09 | N08 | C07 | 0.2° | 0.3° |
| C10 | C09 | N08 | H6 | 180.0° | 179.7° |
| C09 | C10 | C11 | H8 | 179.5° | 179.9° |
| C07 | N08 | C09 | H6 | 179.9° | 180.0° |
| C09 | N08 | C07 | H5 | 179.5° | 180.0° |
| N08 | C09 | C10 | H7 | 179.7° | 180.0° |
| H1 | C04 | H2 | H3 | 120.0° | 120.0° |
| H4 | C05 | C12 | H9 | 145.1° | 97.4° |
| H4 | C05 | C12 | H10 | 23.6° | 26.4° |
| H6 | C09 | C10 | H7 | 0.4° | 0.3° |
| H7 | C10 | C11 | H8 | 0.5° | 0.4° |
| H9 | C12 | C13 | H11 | 143.6° | 98.4° |
| H9 | C12 | C13 | H12 | 22.7° | 24.2° |
| H10 | C12 | C13 | H11 | 22.1° | 25.3° |
| H10 | C12 | C13 | H12 | 98.8° | 148.0° |
