HU6
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O11 | C10 | sing | 1.43Å | 1.41Å | |
| C12 | C10 | sing | 1.53Å | 1.50Å | |
| C12 | C13 | sing | 1.53Å | 1.53Å | |
| C10 | C09 | sing | 1.53Å | 1.54Å | |
| C13 | C14 | sing | 1.53Å | 1.53Å | |
| C09 | C15 | sing | 1.53Å | 1.55Å | |
| C09 | C08 | sing | 1.53Å | 1.50Å | |
| C15 | C14 | sing | 1.53Å | 1.53Å | |
| C08 | N07 | sing | 1.47Å | 1.40Å | |
| N07 | C06 | sing | 1.39Å | 1.44Å | |
| C06 | C16 | doub | 1.38Å | 1.34Å | Aromatic |
| C06 | C05 | sing | 1.41Å | 1.43Å | Aromatic |
| C16 | C02 | sing | 1.39Å | 1.35Å | Aromatic |
| C17 | C05 | sing | 1.42Å | 1.42Å | Aromatic |
| C17 | N18 | doub | 1.30Å | 1.34Å | Aromatic |
| C05 | C04 | doub | 1.41Å | 1.39Å | Aromatic |
| N18 | N19 | sing | 1.40Å | 1.34Å | Aromatic |
| C02 | BR1 | sing | 1.89Å | 1.87Å | |
| C02 | C03 | doub | 1.38Å | 1.37Å | Aromatic |
| C04 | N19 | sing | 1.37Å | 1.34Å | Aromatic |
| C04 | C03 | sing | 1.39Å | 1.39Å | Aromatic |
| C10 | H1 | sing | 1.09Å | 1.10Å | |
| C12 | H2 | sing | 1.09Å | 1.10Å | |
| C12 | H3 | sing | 1.09Å | 1.10Å | |
| C13 | H4 | sing | 1.09Å | 1.10Å | |
| C13 | H5 | sing | 1.09Å | 1.10Å | |
| C14 | H6 | sing | 1.09Å | 1.10Å | |
| C14 | H7 | sing | 1.09Å | 1.10Å | |
| C16 | H8 | sing | 1.08Å | 1.08Å | |
| C15 | H9 | sing | 1.09Å | 1.10Å | |
| C15 | H10 | sing | 1.09Å | 1.10Å | |
| C03 | H11 | sing | 1.08Å | 1.08Å | |
| N07 | H12 | sing | 0.97Å | 1.00Å | |
| C08 | H13 | sing | 1.09Å | 1.10Å | |
| C08 | H14 | sing | 1.09Å | 1.10Å | |
| C09 | H15 | sing | 1.09Å | 1.10Å | |
| O11 | H16 | sing | 0.97Å | 0.95Å | |
| C17 | H17 | sing | 1.08Å | 1.08Å | |
| N19 | H18 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O11 | C10 | C12 | 108.4° | 109.4° |
| O11 | C10 | C09 | 113.4° | 109.5° |
| O11 | C10 | H1 | 109.5° | 109.4° |
| C10 | O11 | H16 | 109.5° | 114.0° |
| C10 | C12 | C13 | 107.6° | 109.5° |
| C12 | C10 | C09 | 109.0° | 109.5° |
| C12 | C10 | H1 | 108.4° | 109.4° |
| C10 | C12 | H2 | 110.0° | 109.5° |
| C10 | C12 | H3 | 109.9° | 109.5° |
| C12 | C13 | C14 | 113.9° | 109.5° |
| C13 | C12 | H2 | 109.9° | 109.4° |
| C13 | C12 | H3 | 109.9° | 109.5° |
| C12 | C13 | H4 | 108.4° | 109.5° |
| C12 | C13 | H5 | 108.3° | 109.5° |
| C10 | C09 | C15 | 117.0° | 109.5° |
| C10 | C09 | C08 | 105.2° | 109.5° |
| C09 | C10 | H1 | 107.9° | 109.5° |
| C10 | C09 | H15 | 108.6° | 109.5° |
| C13 | C14 | C15 | 116.9° | 109.5° |
| C14 | C13 | H4 | 108.3° | 109.5° |
| C14 | C13 | H5 | 108.3° | 109.5° |
| C13 | C14 | H6 | 107.6° | 109.5° |
| C13 | C14 | H7 | 107.6° | 109.5° |
| C15 | C09 | C08 | 108.2° | 109.5° |
| C09 | C15 | C14 | 117.5° | 109.5° |
| C09 | C15 | H9 | 107.4° | 109.5° |
| C09 | C15 | H10 | 107.4° | 109.5° |
| C15 | C09 | H15 | 108.5° | 109.5° |
| C09 | C08 | N07 | 108.9° | 109.4° |
| C09 | C08 | H13 | 109.6° | 109.5° |
| C09 | C08 | H14 | 109.6° | 109.5° |
| C08 | C09 | H15 | 109.1° | 109.5° |
| C15 | C14 | H6 | 107.6° | 109.5° |
| C15 | C14 | H7 | 107.6° | 109.5° |
| C14 | C15 | H9 | 107.4° | 109.5° |
| C14 | C15 | H10 | 107.4° | 109.5° |
| C08 | N07 | C06 | 122.0° | 120.0° |
| C08 | N07 | H12 | 106.3° | 120.0° |
| N07 | C08 | H13 | 109.6° | 109.5° |
| N07 | C08 | H14 | 109.6° | 109.5° |
| N07 | C06 | C16 | 107.6° | 120.2° |
| N07 | C06 | C05 | 132.9° | 120.2° |
| C06 | N07 | H12 | 106.2° | 120.0° |
| C16 | C06 | C05 | 119.4° | 119.6° |
| C06 | C16 | C02 | 119.6° | 120.5° |
| C06 | C16 | H8 | 120.2° | 119.8° |
| C06 | C05 | C17 | 136.4° | 133.6° |
| C06 | C05 | C04 | 119.9° | 119.5° |
| C16 | C02 | BR1 | 110.1° | 119.7° |
| C16 | C02 | C03 | 124.1° | 120.6° |
| C02 | C16 | H8 | 120.2° | 119.7° |
| C05 | C17 | N18 | 109.0° | 108.7° |
| C17 | C05 | C04 | 103.6° | 106.9° |
| C05 | C17 | H17 | 125.5° | 125.6° |
| C17 | N18 | N19 | 108.5° | 109.8° |
| N18 | C17 | H17 | 125.5° | 125.7° |
| C05 | C04 | N19 | 109.8° | 106.6° |
| C05 | C04 | C03 | 119.4° | 119.8° |
| N18 | N19 | C04 | 109.1° | 108.1° |
| N18 | N19 | H18 | 125.5° | 126.0° |
| BR1 | C02 | C03 | 125.7° | 119.7° |
| C02 | C03 | C04 | 117.5° | 120.0° |
| C02 | C03 | H11 | 121.3° | 120.0° |
| N19 | C04 | C03 | 130.8° | 133.7° |
| C04 | N19 | H18 | 125.5° | 125.9° |
| C04 | C03 | H11 | 121.3° | 120.0° |
| H2 | C12 | H3 | 109.5° | 109.5° |
| H4 | C13 | H5 | 109.5° | 109.4° |
| H6 | C14 | H7 | 109.5° | 109.5° |
| H9 | C15 | H10 | 109.5° | 109.4° |
| H13 | C08 | H14 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O11 | C10 | C12 | C09 | 124.0° | 120.0° |
| O11 | C10 | C12 | H1 | 118.8° | 119.9° |
| O11 | C10 | C12 | C13 | 167.6° | 180.0° |
| O11 | C10 | C09 | H1 | 121.6° | 120.0° |
| O11 | C10 | C09 | C15 | 157.2° | 180.0° |
| O11 | C10 | C09 | C08 | 82.7° | 60.0° |
| O11 | C10 | C12 | H2 | 72.7° | 60.1° |
| O11 | C10 | C12 | H3 | 47.9° | 60.0° |
| O11 | C10 | C09 | H15 | 34.0° | 60.0° |
| C10 | C12 | C13 | H2 | 119.7° | 120.0° |
| C10 | C12 | C13 | H3 | 119.7° | 120.1° |
| C12 | C10 | C09 | H1 | 117.5° | 120.0° |
| C10 | C12 | C13 | C14 | 58.7° | 60.0° |
| C12 | C10 | C09 | C15 | 36.3° | 60.0° |
| C12 | C10 | C09 | C08 | 156.4° | 180.0° |
| C10 | C12 | H2 | H3 | 120.9° | 120.1° |
| C10 | C12 | C13 | H4 | 179.3° | 180.0° |
| C10 | C12 | C13 | H5 | 62.0° | 60.1° |
| C12 | C10 | C09 | H15 | 86.9° | 60.0° |
| C12 | C10 | O11 | H16 | 180.0° | 60.0° |
| C13 | C12 | C10 | C09 | 68.5° | 60.0° |
| C12 | C13 | C14 | H4 | 120.7° | 120.0° |
| C12 | C13 | C14 | H5 | 120.6° | 120.0° |
| C12 | C13 | C14 | C15 | 14.9° | 60.0° |
| C13 | C12 | C10 | H1 | 48.7° | 60.1° |
| C13 | C12 | H2 | H3 | 120.8° | 120.0° |
| C12 | C13 | H4 | H5 | 117.9° | 120.0° |
| C12 | C13 | C14 | H6 | 106.1° | 60.0° |
| C12 | C13 | C14 | H7 | 136.0° | 180.0° |
| C10 | C09 | C15 | C08 | 118.5° | 120.0° |
| C10 | C09 | C15 | H15 | 123.2° | 120.0° |
| C10 | C09 | C08 | H15 | 116.4° | 120.0° |
| C10 | C09 | C15 | C14 | 6.7° | 60.0° |
| C10 | C09 | C08 | N07 | 168.7° | 175.0° |
| C09 | C10 | C12 | H2 | 51.3° | 60.0° |
| C09 | C10 | C12 | H3 | 171.8° | 180.0° |
| C10 | C09 | C15 | H9 | 127.9° | 180.0° |
| C10 | C09 | C15 | H10 | 114.4° | 60.1° |
| C10 | C09 | C08 | H13 | 48.7° | 55.0° |
| C10 | C09 | C08 | H14 | 71.4° | 65.0° |
| C09 | C10 | O11 | H16 | 58.7° | 180.0° |
| C13 | C14 | C15 | C09 | 17.5° | 60.0° |
| C13 | C14 | C15 | H6 | 121.1° | 120.0° |
| C13 | C14 | C15 | H7 | 121.1° | 120.0° |
| C14 | C13 | C12 | H2 | 61.1° | 60.0° |
| C14 | C13 | C12 | H3 | 178.4° | 180.0° |
| C14 | C13 | H4 | H5 | 118.0° | 120.0° |
| C13 | C14 | H6 | H7 | 116.7° | 120.0° |
| C13 | C14 | C15 | H9 | 138.7° | 180.0° |
| C13 | C14 | C15 | H10 | 103.6° | 60.0° |
| C15 | C09 | C08 | H15 | 117.9° | 120.0° |
| C09 | C15 | C14 | H9 | 121.2° | 120.0° |
| C09 | C15 | C14 | H10 | 121.1° | 120.0° |
| C15 | C09 | C08 | N07 | 42.9° | 65.0° |
| C15 | C09 | C10 | H1 | 81.2° | 60.0° |
| C09 | C15 | C14 | H6 | 138.6° | 60.0° |
| C09 | C15 | C14 | H7 | 103.5° | 180.0° |
| C09 | C15 | H9 | H10 | 116.3° | 120.0° |
| C15 | C09 | C08 | H13 | 77.0° | 175.0° |
| C15 | C09 | C08 | H14 | 162.8° | 55.0° |
| C08 | C09 | C15 | C14 | 111.8° | 180.0° |
| C09 | C08 | N07 | H13 | 119.9° | 120.0° |
| C09 | C08 | N07 | H14 | 119.9° | 120.0° |
| C09 | C08 | N07 | C06 | 119.9° | 180.0° |
| C08 | C09 | C10 | H1 | 38.9° | 60.0° |
| C08 | C09 | C15 | H9 | 9.4° | 60.0° |
| C08 | C09 | C15 | H10 | 127.1° | 60.0° |
| C09 | C08 | N07 | H12 | 118.4° | 0.1° |
| C09 | C08 | H13 | H14 | 120.3° | 120.0° |
| C15 | C14 | C13 | H4 | 135.6° | 180.0° |
| C15 | C14 | C13 | H5 | 105.7° | 60.0° |
| C15 | C14 | H6 | H7 | 116.6° | 120.0° |
| C14 | C15 | H9 | H10 | 116.3° | 120.0° |
| C14 | C15 | C09 | H15 | 129.9° | 60.0° |
| C08 | N07 | C06 | H12 | 121.7° | 179.9° |
| C08 | N07 | C06 | C16 | 164.1° | 0.0° |
| C08 | N07 | C06 | C05 | 18.1° | 179.5° |
| N07 | C08 | H13 | H14 | 120.2° | 120.0° |
| N07 | C08 | C09 | H15 | 75.0° | 55.0° |
| N07 | C06 | C16 | C05 | 178.2° | 179.5° |
| N07 | C06 | C16 | C02 | 179.4° | 180.0° |
| N07 | C06 | C05 | C17 | 3.8° | 0.3° |
| N07 | C06 | C05 | C04 | 179.4° | 180.0° |
| N07 | C06 | C16 | H8 | 0.6° | 0.2° |
| C06 | N07 | C08 | H13 | 0.0° | 60.0° |
| C06 | N07 | C08 | H14 | 120.2° | 60.0° |
| C06 | C16 | C02 | H8 | 180.0° | 179.8° |
| C16 | C06 | C05 | C17 | 178.6° | 179.9° |
| C16 | C06 | C05 | C04 | 1.8° | 0.5° |
| C06 | C16 | C02 | BR1 | 178.4° | 179.8° |
| C06 | C16 | C02 | C03 | 0.9° | 0.1° |
| C16 | C06 | N07 | H12 | 74.2° | 179.9° |
| C05 | C06 | C16 | C02 | 1.2° | 0.4° |
| C06 | C05 | C17 | C04 | 177.1° | 179.7° |
| C06 | C05 | C17 | N18 | 177.9° | 179.8° |
| C06 | C05 | C04 | N19 | 178.3° | 179.8° |
| C06 | C05 | C04 | C03 | 2.0° | 0.2° |
| C05 | C06 | C16 | H8 | 178.8° | 179.8° |
| C05 | C06 | N07 | H12 | 103.6° | 0.6° |
| C06 | C05 | C17 | H17 | 2.1° | 0.3° |
| C16 | C02 | BR1 | C03 | 177.4° | 179.9° |
| C16 | C02 | C03 | C04 | 1.1° | 0.1° |
| C16 | C02 | C03 | H11 | 178.9° | 180.0° |
| C05 | C17 | N18 | H17 | 180.0° | 179.9° |
| C05 | C17 | N18 | N19 | 0.7° | 0.1° |
| C17 | C05 | C04 | N19 | 0.6° | 0.0° |
| C17 | C05 | C04 | C03 | 179.7° | 179.9° |
| N18 | C17 | C05 | C04 | 0.8° | 0.0° |
| C17 | N18 | N19 | C04 | 0.3° | 0.1° |
| C17 | N18 | N19 | H18 | 179.7° | 180.0° |
| C05 | C04 | N19 | N18 | 0.2° | 0.0° |
| C05 | C04 | C03 | C02 | 1.6° | 0.1° |
| C05 | C04 | N19 | C03 | 179.6° | 180.0° |
| C05 | C04 | C03 | H11 | 178.3° | 180.0° |
| C04 | C05 | C17 | H17 | 179.2° | 180.0° |
| C05 | C04 | N19 | H18 | 179.8° | 180.0° |
| N18 | N19 | C04 | H18 | 180.0° | 180.0° |
| N18 | N19 | C04 | C03 | 179.8° | 180.0° |
| N19 | N18 | C17 | H17 | 179.3° | 180.0° |
| BR1 | C02 | C03 | C04 | 178.2° | 179.9° |
| BR1 | C02 | C16 | H8 | 1.6° | 0.0° |
| BR1 | C02 | C03 | H11 | 1.8° | 0.1° |
| C02 | C03 | C04 | N19 | 178.8° | 179.9° |
| C02 | C03 | C04 | H11 | 180.0° | 179.9° |
| C03 | C02 | C16 | H8 | 179.1° | 179.9° |
| N19 | C04 | C03 | H11 | 1.3° | 0.0° |
| C03 | C04 | N19 | H18 | 0.2° | 0.1° |
| H1 | C10 | C12 | H2 | 168.5° | 180.0° |
| H1 | C10 | C12 | H3 | 70.9° | 60.0° |
| H1 | C10 | C09 | H15 | 155.6° | 180.0° |
| H1 | C10 | O11 | H16 | 61.9° | 60.0° |
| H2 | C12 | C13 | H4 | 59.6° | 60.0° |
| H2 | C12 | C13 | H5 | 178.3° | 180.0° |
| H3 | C12 | C13 | H4 | 61.0° | 60.0° |
| H3 | C12 | C13 | H5 | 57.7° | 60.0° |
| H4 | C13 | C14 | H6 | 14.5° | 60.0° |
| H4 | C13 | C14 | H7 | 103.4° | 60.0° |
| H5 | C13 | C14 | H6 | 133.2° | NaN° |
| H5 | C13 | C14 | H7 | 15.3° | 60.0° |
| H6 | C14 | C15 | H9 | 100.2° | 60.0° |
| H6 | C14 | C15 | H10 | 17.5° | 180.0° |
| H7 | C14 | C15 | H9 | 17.6° | 60.0° |
| H7 | C14 | C15 | H10 | 135.4° | 60.0° |
| H9 | C15 | C09 | H15 | 108.9° | 60.0° |
| H10 | C15 | C09 | H15 | 8.8° | 179.9° |
| H12 | N07 | C08 | H13 | 121.7° | 119.9° |
| H12 | N07 | C08 | H14 | 1.5° | 120.1° |
| H13 | C08 | C09 | H15 | 165.1° | 65.0° |
| H14 | C08 | C09 | H15 | 44.9° | 175.0° |
