HU0
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O16 | C15 | sing | 1.36Å | 1.41Å | |
| C14 | C15 | doub | 1.39Å | 1.42Å | Aromatic |
| C14 | C13 | sing | 1.38Å | 1.38Å | Aromatic |
| C15 | C17 | sing | 1.39Å | 1.41Å | Aromatic |
| C13 | C12 | doub | 1.38Å | 1.39Å | Aromatic |
| C17 | C18 | doub | 1.38Å | 1.38Å | Aromatic |
| C12 | C18 | sing | 1.38Å | 1.39Å | Aromatic |
| C12 | C11 | sing | 1.51Å | 1.51Å | |
| C11 | N10 | sing | 1.46Å | 1.44Å | |
| N10 | C09 | sing | 1.39Å | 1.44Å | |
| C06 | C05 | sing | 1.41Å | 1.42Å | Aromatic |
| C06 | N07 | doub | 1.30Å | 1.32Å | Aromatic |
| C09 | C05 | sing | 1.41Å | 1.43Å | Aromatic |
| C09 | C19 | doub | 1.38Å | 1.35Å | Aromatic |
| C05 | C04 | doub | 1.41Å | 1.39Å | Aromatic |
| N07 | N08 | sing | 1.40Å | 1.35Å | Aromatic |
| C19 | C02 | sing | 1.39Å | 1.38Å | Aromatic |
| C04 | N08 | sing | 1.37Å | 1.34Å | Aromatic |
| C04 | C03 | sing | 1.39Å | 1.38Å | Aromatic |
| C02 | C03 | doub | 1.38Å | 1.40Å | Aromatic |
| C02 | BR1 | sing | 1.89Å | 1.90Å | |
| C13 | H1 | sing | 1.08Å | 1.08Å | |
| C17 | H2 | sing | 1.08Å | 1.08Å | |
| C03 | H3 | sing | 1.08Å | 1.08Å | |
| C06 | H4 | sing | 1.08Å | 1.08Å | |
| C11 | H5 | sing | 1.09Å | 1.10Å | |
| C11 | H6 | sing | 1.09Å | 1.10Å | |
| C14 | H7 | sing | 1.08Å | 1.08Å | |
| C18 | H8 | sing | 1.08Å | 1.08Å | |
| C19 | H9 | sing | 1.08Å | 1.08Å | |
| N10 | H11 | sing | 0.97Å | 1.00Å | |
| O16 | H12 | sing | 0.97Å | 0.95Å | |
| N08 | H10 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O16 | C15 | C14 | 121.5° | 120.0° |
| O16 | C15 | C17 | 116.3° | 120.1° |
| C15 | O16 | H12 | 109.5° | 114.0° |
| C15 | C14 | C13 | 118.3° | 119.9° |
| C14 | C15 | C17 | 122.2° | 119.9° |
| C15 | C14 | H7 | 120.9° | 120.1° |
| C14 | C13 | C12 | 118.9° | 120.1° |
| C14 | C13 | H1 | 120.5° | 120.0° |
| C13 | C14 | H7 | 120.8° | 120.0° |
| C15 | C17 | C18 | 118.4° | 119.9° |
| C15 | C17 | H2 | 120.8° | 120.0° |
| C13 | C12 | C18 | 123.2° | 120.1° |
| C13 | C12 | C11 | 118.6° | 119.9° |
| C12 | C13 | H1 | 120.6° | 120.0° |
| C17 | C18 | C12 | 119.1° | 120.1° |
| C18 | C17 | H2 | 120.8° | 120.0° |
| C17 | C18 | H8 | 120.5° | 120.0° |
| C18 | C12 | C11 | 118.1° | 120.0° |
| C12 | C18 | H8 | 120.5° | 119.9° |
| C12 | C11 | N10 | 112.2° | 109.5° |
| C12 | C11 | H5 | 108.8° | 109.5° |
| C12 | C11 | H6 | 108.8° | 109.5° |
| C11 | N10 | C09 | 118.4° | 120.0° |
| N10 | C11 | H5 | 108.8° | 109.4° |
| N10 | C11 | H6 | 108.8° | 109.4° |
| C11 | N10 | H11 | 107.2° | 120.0° |
| N10 | C09 | C05 | 125.6° | 120.2° |
| N10 | C09 | C19 | 116.5° | 120.2° |
| C09 | N10 | H11 | 107.2° | 120.0° |
| C05 | C06 | N07 | 109.6° | 108.7° |
| C06 | C05 | C09 | 133.7° | 133.6° |
| C06 | C05 | C04 | 103.9° | 106.9° |
| C05 | C06 | H4 | 125.2° | 125.7° |
| C06 | N07 | N08 | 108.0° | 109.7° |
| N07 | C06 | H4 | 125.2° | 125.6° |
| C05 | C09 | C19 | 117.9° | 119.6° |
| C09 | C05 | C04 | 122.3° | 119.5° |
| C09 | C19 | C02 | 118.8° | 120.5° |
| C09 | C19 | H9 | 120.6° | 119.7° |
| C05 | C04 | N08 | 108.6° | 106.6° |
| C05 | C04 | C03 | 119.5° | 119.8° |
| N07 | N08 | C04 | 109.8° | 108.1° |
| N07 | N08 | H10 | 125.1° | 126.0° |
| C19 | C02 | C03 | 124.9° | 120.6° |
| C19 | C02 | BR1 | 112.5° | 119.7° |
| C02 | C19 | H9 | 120.6° | 119.8° |
| N08 | C04 | C03 | 131.9° | 133.7° |
| C04 | N08 | H10 | 125.1° | 125.9° |
| C04 | C03 | C02 | 116.6° | 120.0° |
| C04 | C03 | H3 | 121.7° | 120.0° |
| C03 | C02 | BR1 | 122.7° | 119.7° |
| C02 | C03 | H3 | 121.7° | 119.9° |
| H5 | C11 | H6 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O16 | C15 | C14 | C17 | 178.7° | 179.3° |
| O16 | C15 | C14 | C13 | 179.6° | 179.7° |
| O16 | C15 | C17 | C18 | 179.9° | 180.0° |
| O16 | C15 | C17 | H2 | 0.2° | 0.8° |
| O16 | C15 | C14 | H7 | 0.5° | 0.3° |
| C15 | C14 | C13 | H7 | 180.0° | 180.0° |
| C15 | C14 | C13 | C12 | 0.1° | 0.1° |
| C14 | C15 | C17 | C18 | 1.1° | 0.7° |
| C15 | C14 | C13 | H1 | 179.9° | 179.8° |
| C14 | C15 | C17 | H2 | 178.9° | 180.0° |
| C14 | C15 | O16 | H12 | 180.0° | 90.7° |
| C13 | C14 | C15 | C17 | 0.9° | 0.4° |
| C14 | C13 | C12 | H1 | 180.0° | 179.7° |
| C14 | C13 | C12 | C18 | 0.8° | 0.3° |
| C14 | C13 | C12 | C11 | 179.1° | 179.7° |
| C15 | C17 | C18 | H2 | 180.0° | 179.2° |
| C15 | C17 | C18 | C12 | 0.4° | 0.5° |
| C17 | C15 | C14 | H7 | 179.1° | 179.5° |
| C15 | C17 | C18 | H8 | 179.6° | 180.0° |
| C17 | C15 | O16 | H12 | 1.3° | 90.0° |
| C13 | C12 | C18 | C17 | 0.5° | 0.0° |
| C13 | C12 | C18 | C11 | 179.8° | 180.0° |
| C13 | C12 | C11 | N10 | 161.5° | 90.0° |
| C13 | C12 | C11 | H5 | 78.1° | 150.0° |
| C13 | C12 | C11 | H6 | 41.0° | 30.0° |
| C12 | C13 | C14 | H7 | 179.9° | 179.9° |
| C13 | C12 | C18 | H8 | 179.5° | 179.5° |
| C17 | C18 | C12 | H8 | 180.0° | 179.5° |
| C17 | C18 | C12 | C11 | 179.3° | 180.0° |
| C18 | C12 | C11 | N10 | 18.4° | 90.0° |
| C18 | C12 | C13 | H1 | 179.2° | 180.0° |
| C12 | C18 | C17 | H2 | 179.6° | 179.7° |
| C18 | C12 | C11 | H5 | 102.0° | 30.0° |
| C18 | C12 | C11 | H6 | 138.8° | 150.0° |
| C12 | C11 | N10 | H5 | 120.4° | 120.0° |
| C12 | C11 | N10 | H6 | 120.4° | 120.0° |
| C12 | C11 | N10 | C09 | 165.8° | 180.0° |
| C11 | C12 | C13 | H1 | 0.9° | 0.0° |
| C12 | C11 | H5 | H6 | 118.7° | 120.1° |
| C11 | C12 | C18 | H8 | 0.7° | 0.4° |
| C12 | C11 | N10 | H11 | 72.9° | 0.0° |
| C11 | N10 | C09 | H11 | 121.3° | 180.0° |
| C11 | N10 | C09 | C05 | 40.9° | 180.0° |
| C11 | N10 | C09 | C19 | 139.1° | 0.2° |
| N10 | C11 | H5 | H6 | 118.8° | 119.9° |
| N10 | C09 | C05 | C06 | 0.7° | 0.0° |
| N10 | C09 | C05 | C19 | 180.0° | 179.8° |
| N10 | C09 | C05 | C04 | 179.7° | 180.0° |
| N10 | C09 | C19 | C02 | 178.9° | 179.8° |
| C09 | N10 | C11 | H5 | 45.4° | 60.0° |
| C09 | N10 | C11 | H6 | 73.8° | 60.0° |
| N10 | C09 | C19 | H9 | 1.1° | 0.2° |
| C05 | C06 | N07 | H4 | 180.0° | 179.9° |
| C06 | C05 | C09 | C04 | 179.6° | 180.0° |
| C06 | C05 | C09 | C19 | 179.2° | 179.8° |
| C05 | C06 | N07 | N08 | 1.3° | 0.0° |
| C06 | C05 | C04 | N08 | 0.7° | 0.0° |
| C06 | C05 | C04 | C03 | 179.7° | 180.0° |
| N07 | C06 | C05 | C09 | 179.1° | 180.0° |
| N07 | C06 | C05 | C04 | 1.2° | 0.0° |
| C06 | N07 | N08 | C04 | 0.9° | 0.0° |
| C06 | N07 | N08 | H10 | 179.1° | 179.9° |
| C05 | C09 | C19 | C02 | 1.1° | 0.5° |
| C09 | C05 | C04 | N08 | 179.6° | 180.0° |
| C09 | C05 | C04 | C03 | 0.6° | 0.0° |
| C09 | C05 | C06 | H4 | 0.9° | 0.1° |
| C05 | C09 | C19 | H9 | 178.9° | 179.9° |
| C05 | C09 | N10 | H11 | 80.4° | 0.0° |
| C19 | C09 | C05 | C04 | 0.4° | 0.3° |
| C09 | C19 | C02 | H9 | 180.0° | 179.6° |
| C09 | C19 | C02 | C03 | 0.9° | 0.4° |
| C09 | C19 | C02 | BR1 | 178.6° | 179.8° |
| C19 | C09 | N10 | H11 | 99.7° | 179.8° |
| C05 | C04 | N08 | N07 | 0.1° | 0.0° |
| C05 | C04 | N08 | C03 | 178.8° | 180.0° |
| C05 | C04 | C03 | C02 | 0.8° | 0.0° |
| C05 | C04 | C03 | H3 | 179.2° | 180.0° |
| C04 | C05 | C06 | H4 | 178.8° | 180.0° |
| C05 | C04 | N08 | H10 | 179.9° | 180.0° |
| N07 | N08 | C04 | H10 | 180.0° | 180.0° |
| N07 | N08 | C04 | C03 | 178.7° | 180.0° |
| N08 | N07 | C06 | H4 | 178.7° | 180.0° |
| C19 | C02 | C03 | C04 | 0.1° | 0.2° |
| C19 | C02 | C03 | BR1 | 179.5° | 179.8° |
| C19 | C02 | C03 | H3 | 179.9° | 179.8° |
| N08 | C04 | C03 | C02 | 179.6° | 180.0° |
| N08 | C04 | C03 | H3 | 0.5° | 0.0° |
| C04 | C03 | C02 | H3 | 180.0° | 180.0° |
| C04 | C03 | C02 | BR1 | 179.6° | 180.0° |
| C03 | C04 | N08 | H10 | 1.3° | 0.1° |
| C03 | C02 | C19 | H9 | 179.1° | 180.0° |
| BR1 | C02 | C03 | H3 | 0.4° | 0.0° |
| BR1 | C02 | C19 | H9 | 1.4° | 0.2° |
| H1 | C13 | C14 | H7 | 0.1° | 0.2° |
| H2 | C17 | C18 | H8 | 0.4° | 0.7° |
| H5 | C11 | N10 | H11 | 166.7° | 120.0° |
| H6 | C11 | N10 | H11 | 47.5° | 120.0° |
