U8H
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C01 | C02 | sing | 1.51Å | 1.46Å | |
| C01 | C03 | sing | 1.46Å | 1.45Å | |
| C01 | N04 | doub | 1.30Å | 1.34Å | |
| C02 | C05 | sing | 1.51Å | 1.60Å | |
| C03 | N06 | sing | 1.35Å | 1.35Å | |
| C03 | S07 | doub | 1.71Å | 1.67Å | |
| N04 | N08 | sing | 1.40Å | 1.37Å | |
| C05 | C09 | doub | 1.38Å | 1.37Å | Aromatic |
| C05 | C10 | sing | 1.38Å | 1.41Å | Aromatic |
| N06 | C11 | sing | 1.35Å | 1.35Å | |
| N08 | C11 | sing | 1.35Å | 1.43Å | |
| C09 | C12 | sing | 1.38Å | 1.39Å | Aromatic |
| C10 | C13 | doub | 1.38Å | 1.40Å | Aromatic |
| C11 | S14 | doub | 1.71Å | 1.67Å | |
| C12 | C15 | doub | 1.39Å | 1.40Å | Aromatic |
| C13 | C15 | sing | 1.39Å | 1.38Å | Aromatic |
| C15 | O16 | sing | 1.36Å | 1.35Å | |
| O16 | C17 | sing | 1.43Å | 1.38Å | |
| C02 | H18 | sing | 1.09Å | 1.10Å | |
| C02 | H19 | sing | 1.09Å | 1.10Å | |
| C10 | H23 | sing | 1.08Å | 1.08Å | |
| C13 | H25 | sing | 1.08Å | 1.08Å | |
| C17 | H28 | sing | 1.09Å | 1.10Å | |
| C17 | H26 | sing | 1.09Å | 1.10Å | |
| C17 | H27 | sing | 1.09Å | 1.10Å | |
| N06 | H20 | sing | 0.97Å | 1.00Å | |
| N08 | H21 | sing | 0.97Å | 1.00Å | |
| C09 | H22 | sing | 1.08Å | 1.08Å | |
| C12 | H24 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C02 | C01 | C03 | 117.7° | 120.4° |
| C02 | C01 | N04 | 117.7° | 120.5° |
| C01 | C02 | C05 | 106.4° | 109.5° |
| C01 | C02 | H18 | 110.3° | 109.5° |
| C01 | C02 | H19 | 110.2° | 109.5° |
| C03 | C01 | N04 | 124.4° | 119.1° |
| C01 | C03 | N06 | 114.4° | 119.2° |
| C01 | C03 | S07 | 122.6° | 120.4° |
| C01 | N04 | N08 | 117.7° | 119.9° |
| C02 | C05 | C09 | 119.1° | 119.9° |
| C02 | C05 | C10 | 124.9° | 119.9° |
| C05 | C02 | H18 | 110.2° | 109.5° |
| C05 | C02 | H19 | 110.2° | 109.5° |
| N06 | C03 | S07 | 122.9° | 120.4° |
| C03 | N06 | C11 | 123.8° | 120.0° |
| C03 | N06 | H20 | 118.1° | 120.0° |
| N04 | N08 | C11 | 120.1° | 120.8° |
| N04 | N08 | H21 | 120.0° | 119.6° |
| C09 | C05 | C10 | 115.9° | 120.2° |
| C05 | C09 | C12 | 120.7° | 120.0° |
| C05 | C09 | H22 | 119.6° | 120.0° |
| C05 | C10 | C13 | 123.8° | 120.0° |
| C05 | C10 | H23 | 118.1° | 120.0° |
| N06 | C11 | N08 | 119.2° | 121.0° |
| N06 | C11 | S14 | 123.8° | 119.5° |
| C11 | N06 | H20 | 118.1° | 119.9° |
| N08 | C11 | S14 | 117.0° | 119.5° |
| C11 | N08 | H21 | 119.9° | 119.6° |
| C09 | C12 | C15 | 123.1° | 119.9° |
| C12 | C09 | H22 | 119.7° | 120.0° |
| C09 | C12 | H24 | 118.5° | 120.0° |
| C10 | C13 | C15 | 119.2° | 120.0° |
| C13 | C10 | H23 | 118.1° | 120.0° |
| C10 | C13 | H25 | 120.4° | 120.0° |
| C12 | C15 | C13 | 117.0° | 119.9° |
| C12 | C15 | O16 | 119.2° | 120.1° |
| C15 | C12 | H24 | 118.5° | 120.0° |
| C13 | C15 | O16 | 123.7° | 120.1° |
| C15 | C13 | H25 | 120.4° | 120.0° |
| C15 | O16 | C17 | 119.0° | 117.0° |
| O16 | C17 | H28 | 109.5° | 109.5° |
| O16 | C17 | H26 | 109.5° | 109.5° |
| O16 | C17 | H27 | 109.4° | 109.4° |
| H18 | C02 | H19 | 109.5° | 109.5° |
| H28 | C17 | H26 | 109.5° | 109.5° |
| H28 | C17 | H27 | 109.5° | 109.5° |
| H26 | C17 | H27 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C02 | C01 | C03 | N04 | 175.9° | 179.7° |
| C01 | C02 | C05 | H18 | 119.5° | 120.0° |
| C01 | C02 | C05 | H19 | 119.5° | 120.1° |
| C02 | C01 | C03 | N06 | 170.0° | 180.0° |
| C02 | C01 | C03 | S07 | 14.4° | 0.0° |
| C02 | C01 | N04 | N08 | 171.7° | 180.0° |
| C01 | C02 | C05 | C09 | 112.1° | 90.0° |
| C01 | C02 | C05 | C10 | 66.2° | 89.8° |
| C01 | C02 | H18 | H19 | 121.5° | 120.1° |
| C03 | C01 | C02 | C05 | 81.4° | 180.0° |
| C01 | C03 | N06 | S07 | 175.6° | 179.9° |
| C03 | C01 | N04 | N08 | 4.2° | 0.3° |
| C01 | C03 | N06 | C11 | 1.3° | 0.0° |
| C03 | C01 | C02 | H18 | 159.1° | 60.0° |
| C03 | C01 | C02 | H19 | 38.1° | 60.0° |
| C01 | C03 | N06 | H20 | 178.7° | 179.9° |
| N04 | C01 | C02 | C05 | 94.7° | 0.3° |
| N04 | C01 | C03 | N06 | 5.9° | 0.3° |
| N04 | C01 | C03 | S07 | 169.8° | 179.8° |
| C01 | N04 | N08 | C11 | 1.9° | 0.0° |
| N04 | C01 | C02 | H18 | 24.8° | 119.7° |
| N04 | C01 | C02 | H19 | 145.8° | 120.3° |
| C01 | N04 | N08 | H21 | 178.1° | 180.0° |
| C02 | C05 | C09 | C10 | 178.4° | 179.7° |
| C02 | C05 | C09 | C12 | 177.9° | 179.7° |
| C02 | C05 | C10 | C13 | 179.4° | 180.0° |
| C05 | C02 | H18 | H19 | 121.4° | 120.0° |
| C02 | C05 | C10 | H23 | 0.6° | 0.0° |
| C02 | C05 | C09 | H22 | 2.1° | 0.0° |
| C03 | N06 | C11 | H20 | 180.0° | 179.9° |
| C03 | N06 | C11 | N08 | 4.3° | 0.2° |
| C03 | N06 | C11 | S14 | 174.2° | 180.0° |
| S07 | C03 | N06 | C11 | 174.3° | 180.0° |
| S07 | C03 | N06 | H20 | 5.7° | 0.1° |
| N04 | N08 | C11 | N06 | 6.1° | 0.3° |
| N04 | N08 | C11 | H21 | 180.0° | 180.0° |
| N04 | N08 | C11 | S14 | 172.5° | 180.0° |
| C05 | C09 | C12 | H22 | 180.0° | 179.7° |
| C09 | C05 | C10 | C13 | 2.2° | 0.3° |
| C05 | C09 | C12 | C15 | 5.5° | 0.5° |
| C09 | C05 | C02 | H18 | 128.4° | 30.0° |
| C09 | C05 | C02 | H19 | 7.4° | 150.0° |
| C09 | C05 | C10 | H23 | 177.8° | 179.7° |
| C05 | C09 | C12 | H24 | 174.5° | 180.0° |
| C10 | C05 | C09 | C12 | 3.6° | 0.5° |
| C05 | C10 | C13 | H23 | 180.0° | 180.0° |
| C05 | C10 | C13 | C15 | 2.3° | 0.0° |
| C10 | C05 | C02 | H18 | 53.3° | 150.3° |
| C10 | C05 | C02 | H19 | 174.3° | 30.3° |
| C05 | C10 | C13 | H25 | 177.6° | 180.0° |
| C10 | C05 | C09 | H22 | 176.3° | 179.7° |
| N06 | C11 | N08 | S14 | 178.6° | 179.8° |
| N06 | C11 | N08 | H21 | 173.9° | 179.7° |
| N08 | C11 | N06 | H20 | 175.7° | 179.7° |
| C09 | C12 | C15 | H24 | 180.0° | 179.5° |
| C09 | C12 | C15 | C13 | 5.3° | 0.2° |
| C09 | C12 | C15 | O16 | 178.0° | 179.8° |
| C10 | C13 | C15 | C12 | 3.7° | 0.1° |
| C10 | C13 | C15 | H25 | 180.0° | 179.9° |
| C10 | C13 | C15 | O16 | 179.8° | 180.0° |
| S14 | C11 | N06 | H20 | 5.8° | 0.1° |
| S14 | C11 | N08 | H21 | 7.5° | 0.0° |
| C12 | C15 | C13 | O16 | 176.6° | 180.0° |
| C12 | C15 | O16 | C17 | 171.8° | 0.0° |
| C12 | C15 | C13 | H25 | 176.3° | 180.0° |
| C15 | C12 | C09 | H22 | 174.5° | 179.8° |
| C13 | C15 | O16 | C17 | 11.7° | 180.0° |
| C15 | C13 | C10 | H23 | 177.7° | 180.0° |
| C13 | C15 | C12 | H24 | 174.6° | 179.7° |
| O16 | C15 | C13 | H25 | 0.2° | 0.0° |
| C15 | O16 | C17 | H28 | 180.0° | 180.0° |
| C15 | O16 | C17 | H26 | 60.0° | 60.0° |
| C15 | O16 | C17 | H27 | 60.0° | 60.0° |
| O16 | C15 | C12 | H24 | 2.1° | 0.2° |
| O16 | C17 | H28 | H26 | 120.0° | 120.0° |
| O16 | C17 | H28 | H27 | 120.0° | 120.0° |
| O16 | C17 | H26 | H27 | 120.0° | 119.9° |
| H23 | C10 | C13 | H25 | 2.3° | 0.0° |
| H28 | C17 | H26 | H27 | 120.0° | 120.0° |
| H22 | C09 | C12 | H24 | 5.5° | 0.2° |
