H6R
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N26 | C27 | sing | 1.34Å | 1.62Å | |
| N26 | C25 | sing | 1.47Å | 1.59Å | |
| O28 | C27 | doub | 1.21Å | 1.17Å | |
| C27 | C23 | sing | 1.51Å | 1.31Å | |
| C25 | C24 | sing | 1.55Å | 1.29Å | |
| C24 | C23 | sing | 1.55Å | 1.72Å | |
| O21 | C20 | doub | 1.21Å | 1.20Å | |
| C22 | C23 | sing | 1.53Å | 1.55Å | |
| C22 | C19 | sing | 1.53Å | 1.57Å | |
| C20 | C19 | sing | 1.51Å | 1.55Å | |
| C19 | N18 | sing | 1.46Å | 1.44Å | |
| N18 | C02 | sing | 1.35Å | 1.51Å | |
| O01 | C02 | doub | 1.21Å | 1.20Å | |
| C02 | C03 | sing | 1.51Å | 1.54Å | |
| O17 | C08 | doub | 1.22Å | 1.18Å | |
| C10 | C11 | sing | 1.47Å | 1.55Å | |
| C10 | C09 | doub | 1.35Å | 1.34Å | |
| C08 | N07 | sing | 1.35Å | 1.47Å | |
| C08 | C09 | sing | 1.46Å | 1.55Å | |
| C12 | C11 | doub | 1.40Å | 1.39Å | Aromatic |
| C12 | C13 | sing | 1.38Å | 1.37Å | Aromatic |
| C03 | N07 | sing | 1.46Å | 1.45Å | |
| C03 | C04 | sing | 1.53Å | 1.52Å | |
| C11 | C16 | sing | 1.40Å | 1.38Å | Aromatic |
| C13 | C14 | doub | 1.38Å | 1.37Å | Aromatic |
| C04 | C05 | sing | 1.47Å | 1.51Å | |
| C16 | C15 | doub | 1.38Å | 1.36Å | Aromatic |
| C14 | C15 | sing | 1.38Å | 1.38Å | Aromatic |
| C05 | C06 | trip | 1.17Å | 1.21Å | |
| C10 | H1 | sing | 1.08Å | 1.08Å | |
| C13 | H3 | sing | 1.08Å | 1.08Å | |
| C15 | H4 | sing | 1.08Å | 1.08Å | |
| C20 | H5 | sing | 1.08Å | 1.08Å | |
| C22 | H6 | sing | 1.09Å | 1.10Å | |
| C22 | H7 | sing | 1.09Å | 1.10Å | |
| C24 | H8 | sing | 1.09Å | 1.10Å | |
| C24 | H9 | sing | 1.09Å | 1.10Å | |
| C03 | H10 | sing | 1.09Å | 1.10Å | |
| C04 | H11 | sing | 1.09Å | 1.10Å | |
| C04 | H12 | sing | 1.09Å | 1.10Å | |
| C06 | H13 | sing | 1.05Å | 1.06Å | |
| C09 | H14 | sing | 1.08Å | 1.08Å | |
| C12 | H16 | sing | 1.08Å | 1.08Å | |
| C14 | H17 | sing | 1.08Å | 1.08Å | |
| C16 | H18 | sing | 1.08Å | 1.08Å | |
| C19 | H19 | sing | 1.09Å | 1.10Å | |
| C23 | H20 | sing | 1.09Å | 1.10Å | |
| C25 | H21 | sing | 1.09Å | 1.10Å | |
| C25 | H22 | sing | 1.09Å | 1.10Å | |
| N07 | H23 | sing | 0.97Å | 1.00Å | |
| N18 | H24 | sing | 0.97Å | 1.00Å | |
| N26 | H25 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C27 | N26 | C25 | 105.4° | 111.3° |
| N26 | C27 | O28 | 125.7° | 125.0° |
| N26 | C27 | C23 | 106.1° | 110.1° |
| C27 | N26 | H25 | 127.3° | 124.3° |
| N26 | C25 | C24 | 105.1° | 105.5° |
| N26 | C25 | H21 | 110.6° | 110.2° |
| N26 | C25 | H22 | 110.6° | 110.2° |
| C25 | N26 | H25 | 127.3° | 124.4° |
| O28 | C27 | C23 | 128.1° | 124.9° |
| C27 | C23 | C24 | 106.3° | 104.3° |
| C27 | C23 | C22 | 111.5° | 110.5° |
| C27 | C23 | H20 | 112.3° | 110.5° |
| C25 | C24 | C23 | 106.3° | 101.8° |
| C25 | C24 | H8 | 110.3° | 111.0° |
| C25 | C24 | H9 | 110.3° | 110.9° |
| C24 | C25 | H21 | 110.6° | 110.3° |
| C24 | C25 | H22 | 110.6° | 110.2° |
| C24 | C23 | C22 | 111.1° | 110.5° |
| C23 | C24 | H8 | 110.3° | 111.1° |
| C23 | C24 | H9 | 110.2° | 110.8° |
| C24 | C23 | H20 | 106.8° | 110.4° |
| O21 | C20 | C19 | 119.8° | 120.0° |
| O21 | C20 | H5 | 120.1° | 120.0° |
| C23 | C22 | C19 | 114.1° | 109.5° |
| C23 | C22 | H6 | 108.3° | 109.5° |
| C23 | C22 | H7 | 108.3° | 109.5° |
| C22 | C23 | H20 | 108.7° | 110.6° |
| C22 | C19 | C20 | 112.3° | 109.5° |
| C22 | C19 | N18 | 111.6° | 109.5° |
| C19 | C22 | H6 | 108.3° | 109.5° |
| C19 | C22 | H7 | 108.3° | 109.5° |
| C22 | C19 | H19 | 108.4° | 109.5° |
| C20 | C19 | N18 | 105.8° | 109.4° |
| C19 | C20 | H5 | 120.1° | 120.0° |
| C20 | C19 | H19 | 108.6° | 109.4° |
| C19 | N18 | C02 | 118.5° | 119.9° |
| N18 | C19 | H19 | 110.1° | 109.5° |
| C19 | N18 | H24 | 120.7° | 120.0° |
| N18 | C02 | O01 | 120.0° | 120.0° |
| N18 | C02 | C03 | 118.1° | 120.0° |
| C02 | N18 | H24 | 120.7° | 120.1° |
| O01 | C02 | C03 | 121.9° | 120.0° |
| C02 | C03 | N07 | 113.3° | 109.5° |
| C02 | C03 | C04 | 109.5° | 109.5° |
| C02 | C03 | H10 | 108.9° | 109.5° |
| O17 | C08 | N07 | 121.6° | 120.0° |
| O17 | C08 | C09 | 122.2° | 120.0° |
| C11 | C10 | C09 | 111.2° | 120.0° |
| C10 | C11 | C12 | 119.8° | 120.2° |
| C10 | C11 | C16 | 119.8° | 120.2° |
| C11 | C10 | H1 | 124.4° | 120.0° |
| C10 | C09 | C08 | 112.7° | 120.0° |
| C09 | C10 | H1 | 124.4° | 120.0° |
| C10 | C09 | H14 | 123.6° | 120.0° |
| N07 | C08 | C09 | 116.1° | 120.0° |
| C08 | N07 | C03 | 122.8° | 120.0° |
| C08 | N07 | H23 | 118.6° | 120.0° |
| C08 | C09 | H14 | 123.7° | 120.0° |
| C11 | C12 | C13 | 119.7° | 119.8° |
| C12 | C11 | C16 | 120.4° | 119.6° |
| C11 | C12 | H16 | 120.1° | 120.1° |
| C12 | C13 | C14 | 119.9° | 120.2° |
| C12 | C13 | H3 | 120.1° | 120.0° |
| C13 | C12 | H16 | 120.2° | 120.0° |
| N07 | C03 | C04 | 105.8° | 109.5° |
| N07 | C03 | H10 | 110.1° | 109.5° |
| C03 | N07 | H23 | 118.6° | 120.0° |
| C03 | C04 | C05 | 110.0° | 109.5° |
| C04 | C03 | H10 | 109.2° | 109.4° |
| C03 | C04 | H11 | 109.3° | 109.4° |
| C03 | C04 | H12 | 109.4° | 109.5° |
| C11 | C16 | C15 | 119.5° | 119.8° |
| C11 | C16 | H18 | 120.3° | 120.1° |
| C13 | C14 | C15 | 119.9° | 120.3° |
| C14 | C13 | H3 | 120.0° | 119.9° |
| C13 | C14 | H17 | 120.0° | 119.9° |
| C04 | C05 | C06 | 179.8° | 180.0° |
| C05 | C04 | H11 | 109.3° | 109.5° |
| C05 | C04 | H12 | 109.3° | 109.5° |
| C16 | C15 | C14 | 120.5° | 120.2° |
| C16 | C15 | H4 | 119.7° | 119.9° |
| C15 | C16 | H18 | 120.2° | 120.1° |
| C14 | C15 | H4 | 119.8° | 119.9° |
| C15 | C14 | H17 | 120.0° | 119.8° |
| C05 | C06 | H13 | 180.0° | 179.9° |
| H6 | C22 | H7 | 109.5° | 109.4° |
| H8 | C24 | H9 | 109.5° | 110.9° |
| H11 | C04 | H12 | 109.5° | 109.5° |
| H21 | C25 | H22 | 109.5° | 110.3° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C27 | N26 | C25 | H25 | 180.0° | 180.0° |
| N26 | C27 | O28 | C23 | 179.3° | 179.7° |
| C27 | N26 | C25 | C24 | 22.1° | 17.0° |
| N26 | C27 | C23 | C24 | 16.9° | 15.9° |
| N26 | C27 | C23 | C22 | 138.1° | 134.7° |
| N26 | C27 | C23 | H20 | 99.5° | 102.6° |
| C27 | N26 | C25 | H21 | 97.2° | 102.0° |
| C27 | N26 | C25 | H22 | 141.4° | 136.0° |
| C25 | N26 | C27 | O28 | 179.7° | 179.6° |
| C25 | N26 | C27 | C23 | 0.3° | 0.6° |
| N26 | C25 | C24 | H21 | 119.3° | 119.0° |
| N26 | C25 | C24 | H22 | 119.3° | 119.0° |
| N26 | C25 | C24 | C23 | 31.0° | 25.2° |
| N26 | C25 | C24 | H8 | 150.5° | 143.5° |
| N26 | C25 | C24 | H9 | 88.5° | 92.7° |
| N26 | C25 | H21 | H22 | 122.0° | 122.0° |
| O28 | C27 | C23 | C24 | 163.7° | 163.8° |
| O28 | C27 | C23 | C22 | 42.5° | 45.1° |
| O28 | C27 | C23 | H20 | 79.9° | 77.6° |
| O28 | C27 | N26 | H25 | 0.3° | 0.4° |
| C27 | C23 | C24 | C25 | 33.7° | 24.5° |
| C27 | C23 | C24 | C22 | 121.5° | 118.7° |
| C27 | C23 | C24 | H20 | 120.1° | 118.7° |
| C27 | C23 | C22 | H20 | 124.4° | 122.6° |
| C27 | C23 | C22 | C19 | 177.1° | 175.2° |
| C27 | C23 | C22 | H6 | 56.4° | 64.8° |
| C27 | C23 | C22 | H7 | 62.2° | 55.2° |
| C27 | C23 | C24 | H8 | 153.2° | 142.7° |
| C27 | C23 | C24 | H9 | 85.8° | 93.5° |
| C23 | C27 | N26 | H25 | 179.7° | 179.4° |
| C25 | C24 | C23 | H8 | 119.5° | 118.2° |
| C25 | C24 | C23 | H9 | 119.5° | 118.0° |
| C25 | C24 | C23 | C22 | 155.2° | 143.2° |
| C25 | C24 | H8 | H9 | 121.5° | 123.8° |
| C25 | C24 | C23 | H20 | 86.4° | 94.1° |
| C24 | C25 | H21 | H22 | 122.0° | 122.0° |
| C24 | C25 | N26 | H25 | 157.9° | 163.0° |
| C24 | C23 | C22 | H20 | 117.2° | 122.5° |
| C24 | C23 | C22 | C19 | 58.7° | 69.9° |
| C24 | C23 | C22 | H6 | 62.0° | 50.1° |
| C24 | C23 | C22 | H7 | 179.4° | 170.1° |
| C23 | C24 | H8 | H9 | 121.5° | 123.7° |
| C23 | C24 | C25 | H21 | 88.3° | 93.8° |
| C23 | C24 | C25 | H22 | 150.3° | 144.2° |
| O21 | C20 | C19 | C22 | 65.4° | 120.0° |
| O21 | C20 | C19 | H5 | 180.0° | 180.0° |
| O21 | C20 | C19 | N18 | 172.7° | 0.0° |
| O21 | C20 | C19 | H19 | 54.5° | 120.0° |
| C23 | C22 | C19 | H6 | 120.7° | 120.0° |
| C23 | C22 | C19 | H7 | 120.7° | 120.0° |
| C23 | C22 | C19 | C20 | 166.7° | 175.2° |
| C23 | C22 | C19 | N18 | 74.8° | 64.8° |
| C23 | C22 | H6 | H7 | 117.8° | 120.0° |
| C22 | C23 | C24 | H8 | 85.3° | 98.5° |
| C22 | C23 | C24 | H9 | 35.7° | 25.2° |
| C23 | C22 | C19 | H19 | 46.6° | 55.3° |
| C22 | C19 | C20 | N18 | 121.9° | 120.0° |
| C22 | C19 | C20 | H19 | 119.9° | 120.0° |
| C22 | C19 | N18 | H19 | 120.4° | 120.1° |
| C22 | C19 | N18 | C02 | 106.7° | 153.3° |
| C22 | C19 | C20 | H5 | 114.7° | 60.0° |
| C19 | C22 | H6 | H7 | 117.9° | 120.0° |
| C19 | C22 | C23 | H20 | 58.5° | 52.6° |
| C22 | C19 | N18 | H24 | 73.3° | 26.7° |
| C20 | C19 | N18 | H19 | 117.2° | 120.0° |
| C20 | C19 | N18 | C02 | 130.9° | 86.7° |
| C20 | C19 | C22 | H6 | 46.0° | 55.2° |
| C20 | C19 | C22 | H7 | 72.7° | 64.8° |
| C20 | C19 | N18 | H24 | 49.2° | 93.3° |
| C19 | N18 | C02 | H24 | 180.0° | 180.0° |
| C19 | N18 | C02 | O01 | 0.4° | 0.1° |
| C19 | N18 | C02 | C03 | 178.9° | 180.0° |
| N18 | C19 | C20 | H5 | 7.3° | 179.9° |
| N18 | C19 | C22 | H6 | 164.5° | 175.2° |
| N18 | C19 | C22 | H7 | 45.9° | 55.2° |
| N18 | C02 | O01 | C03 | 179.2° | 180.0° |
| N18 | C02 | C03 | N07 | 144.2° | 180.0° |
| N18 | C02 | C03 | C04 | 98.0° | 60.0° |
| N18 | C02 | C03 | H10 | 21.3° | 60.0° |
| C02 | N18 | C19 | H19 | 13.7° | 33.2° |
| O01 | C02 | C03 | N07 | 36.6° | 0.0° |
| O01 | C02 | C03 | C04 | 81.2° | 120.0° |
| O01 | C02 | C03 | H10 | 159.5° | 120.1° |
| O01 | C02 | N18 | H24 | 179.6° | 180.0° |
| C02 | C03 | N07 | C08 | 54.2° | 155.0° |
| C02 | C03 | N07 | C04 | 119.9° | 120.0° |
| C02 | C03 | N07 | H10 | 122.2° | 120.0° |
| C02 | C03 | C04 | H10 | 119.1° | 120.0° |
| C02 | C03 | C04 | C05 | 174.9° | 175.0° |
| C02 | C03 | C04 | H11 | 65.1° | 55.0° |
| C02 | C03 | C04 | H12 | 54.8° | 65.0° |
| C02 | C03 | N07 | H23 | 125.8° | 25.0° |
| C03 | C02 | N18 | H24 | 1.2° | 0.0° |
| O17 | C08 | C09 | C10 | 17.1° | 0.3° |
| O17 | C08 | N07 | C09 | 179.5° | 179.7° |
| O17 | C08 | N07 | C03 | 0.8° | 0.3° |
| O17 | C08 | C09 | H14 | 162.9° | 179.7° |
| O17 | C08 | N07 | H23 | 179.2° | 179.7° |
| C11 | C10 | C09 | H1 | 180.0° | 180.0° |
| C11 | C10 | C09 | C08 | 179.6° | 180.0° |
| C10 | C11 | C12 | C16 | 179.7° | 179.7° |
| C10 | C11 | C12 | C13 | 179.9° | 180.0° |
| C10 | C11 | C16 | C15 | 179.9° | 179.7° |
| C11 | C10 | C09 | H14 | 0.4° | 0.1° |
| C10 | C11 | C12 | H16 | 0.1° | 0.0° |
| C10 | C11 | C16 | H18 | 0.0° | 0.1° |
| C10 | C09 | C08 | N07 | 163.4° | 180.0° |
| C10 | C09 | C08 | H14 | 180.0° | 179.9° |
| C09 | C10 | C11 | C12 | 173.3° | 0.3° |
| C09 | C10 | C11 | C16 | 6.4° | 180.0° |
| C08 | N07 | C03 | H23 | 180.0° | 180.0° |
| C08 | N07 | C03 | C04 | 174.1° | 85.0° |
| C08 | N07 | C03 | H10 | 68.0° | 35.0° |
| N07 | C08 | C09 | H14 | 16.6° | 0.1° |
| C09 | C08 | N07 | C03 | 178.7° | 180.0° |
| C08 | C09 | C10 | H1 | 0.4° | 0.0° |
| C09 | C08 | N07 | H23 | 1.3° | 0.0° |
| C11 | C12 | C13 | H16 | 180.0° | 180.0° |
| C11 | C12 | C13 | C14 | 0.1° | 0.0° |
| C12 | C11 | C16 | C15 | 0.2° | 0.6° |
| C12 | C11 | C10 | H1 | 6.6° | 179.7° |
| C11 | C12 | C13 | H3 | 179.9° | 180.0° |
| C12 | C11 | C16 | H18 | 179.8° | 179.7° |
| C13 | C12 | C11 | C16 | 0.2° | 0.3° |
| C12 | C13 | C14 | H3 | 180.0° | 179.9° |
| C12 | C13 | C14 | C15 | 0.3° | 0.0° |
| C12 | C13 | C14 | H17 | 179.7° | 180.0° |
| N07 | C03 | C04 | H10 | 118.5° | 120.0° |
| N07 | C03 | C04 | C05 | 62.8° | 65.0° |
| N07 | C03 | C04 | H11 | 57.3° | 175.0° |
| N07 | C03 | C04 | H12 | 177.1° | 55.0° |
| C03 | C04 | C05 | H11 | 120.1° | 120.0° |
| C03 | C04 | C05 | H12 | 120.1° | 120.0° |
| C03 | C04 | C05 | C06 | 135.7° | 141.1° |
| C03 | C04 | H11 | H12 | 119.8° | 120.0° |
| C04 | C03 | N07 | H23 | 5.9° | 95.0° |
| C11 | C16 | C15 | H18 | 180.0° | 179.7° |
| C11 | C16 | C15 | C14 | 0.0° | 0.6° |
| C16 | C11 | C10 | H1 | 173.6° | 0.0° |
| C11 | C16 | C15 | H4 | 180.0° | 179.7° |
| C16 | C11 | C12 | H16 | 179.8° | 179.7° |
| C13 | C14 | C15 | C16 | 0.3° | 0.3° |
| C13 | C14 | C15 | H17 | 180.0° | 180.0° |
| C13 | C14 | C15 | H4 | 179.8° | 179.9° |
| C14 | C13 | C12 | H16 | 179.9° | 180.0° |
| C05 | C04 | C03 | H10 | 55.7° | 55.0° |
| C05 | C04 | H11 | H12 | 119.8° | 120.1° |
| C04 | C05 | C06 | H13 | 90.9° | 175.0° |
| C16 | C15 | C14 | H4 | 180.0° | 179.8° |
| C16 | C15 | C14 | H17 | 179.7° | 179.7° |
| C15 | C14 | C13 | H3 | 179.7° | 180.0° |
| C14 | C15 | C16 | H18 | 180.0° | 179.7° |
| C06 | C05 | C04 | H11 | 104.2° | 98.9° |
| C06 | C05 | C04 | H12 | 15.6° | 21.1° |
| H1 | C10 | C09 | H14 | 179.6° | 180.0° |
| H3 | C13 | C12 | H16 | 0.1° | 0.0° |
| H3 | C13 | C14 | H17 | 0.3° | 0.1° |
| H4 | C15 | C14 | H17 | 0.3° | 0.0° |
| H4 | C15 | C16 | H18 | 0.0° | 0.0° |
| H5 | C20 | C19 | H19 | 125.4° | 60.0° |
| H6 | C22 | C19 | H19 | 74.1° | 64.8° |
| H6 | C22 | C23 | H20 | 179.2° | 172.6° |
| H7 | C22 | C19 | H19 | 167.3° | 175.3° |
| H7 | C22 | C23 | H20 | 62.2° | 67.5° |
| H8 | C24 | C23 | H20 | 33.1° | 24.1° |
| H8 | C24 | C25 | H21 | 31.2° | 24.5° |
| H8 | C24 | C25 | H22 | 90.2° | 97.5° |
| H9 | C24 | C23 | H20 | 154.1° | 147.8° |
| H9 | C24 | C25 | H21 | 152.2° | 148.3° |
| H9 | C24 | C25 | H22 | 30.8° | 26.3° |
| H10 | C03 | C04 | H11 | 175.8° | 65.0° |
| H10 | C03 | C04 | H12 | 64.4° | 175.0° |
| H10 | C03 | N07 | H23 | 111.9° | 145.0° |
| H19 | C19 | N18 | H24 | 166.3° | 146.7° |
| H21 | C25 | N26 | H25 | 82.8° | 78.0° |
| H22 | C25 | N26 | H25 | 38.6° | 44.0° |
