YHR
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C40 | O39 | sing | 1.43Å | 1.42Å | |
| O39 | C37 | sing | 1.36Å | 1.37Å | |
| O41 | C42 | sing | 1.43Å | 1.42Å | |
| O41 | C36 | sing | 1.36Å | 1.38Å | |
| C37 | C36 | doub | 1.39Å | 1.40Å | Aromatic |
| C37 | C38 | sing | 1.38Å | 1.38Å | Aromatic |
| C36 | C35 | sing | 1.39Å | 1.40Å | Aromatic |
| C38 | C33 | doub | 1.40Å | 1.39Å | Aromatic |
| C35 | O43 | sing | 1.36Å | 1.36Å | |
| C35 | C34 | doub | 1.38Å | 1.38Å | Aromatic |
| O43 | C44 | sing | 1.43Å | 1.42Å | |
| C33 | C34 | sing | 1.40Å | 1.39Å | Aromatic |
| C33 | C31 | sing | 1.47Å | 1.49Å | |
| O32 | C31 | doub | 1.21Å | 1.21Å | |
| C31 | O30 | sing | 1.35Å | 1.34Å | |
| O30 | C4 | sing | 1.45Å | 1.46Å | |
| C4 | C5 | sing | 1.53Å | 1.51Å | |
| C4 | C3 | sing | 1.53Å | 1.52Å | |
| O2 | C1 | sing | 1.43Å | 1.42Å | |
| O2 | C3 | sing | 1.43Å | 1.42Å | |
| C5 | C6 | sing | 1.53Å | 1.53Å | |
| C3 | C16 | sing | 1.53Å | 1.53Å | |
| C6 | C7 | sing | 1.53Å | 1.53Å | |
| C6 | C15 | sing | 1.53Å | 1.54Å | |
| C16 | C15 | sing | 1.53Å | 1.54Å | |
| C16 | C17 | sing | 1.51Å | 1.51Å | |
| C7 | N8 | sing | 1.47Å | 1.51Å | |
| C15 | C14 | sing | 1.53Å | 1.53Å | |
| C17 | O18 | doub | 1.21Å | 1.20Å | |
| C17 | O19 | sing | 1.34Å | 1.33Å | |
| O19 | C20 | sing | 1.45Å | 1.45Å | |
| N8 | C9 | sing | 1.48Å | 1.50Å | |
| N8 | C13 | sing | 1.47Å | 1.51Å | |
| C14 | C13 | sing | 1.52Å | 1.52Å | |
| C9 | C10 | sing | 1.54Å | 1.52Å | |
| C13 | C12 | sing | 1.51Å | 1.45Å | |
| C10 | C11 | sing | 1.51Å | 1.50Å | |
| C12 | C11 | doub | 1.35Å | 1.36Å | Aromatic |
| C12 | N21 | sing | 1.37Å | 1.38Å | Aromatic |
| C11 | C23 | sing | 1.45Å | 1.44Å | Aromatic |
| N21 | C22 | sing | 1.37Å | 1.38Å | Aromatic |
| C23 | C22 | doub | 1.42Å | 1.41Å | Aromatic |
| C23 | C24 | sing | 1.40Å | 1.39Å | Aromatic |
| C22 | C27 | sing | 1.39Å | 1.39Å | Aromatic |
| C24 | C25 | doub | 1.37Å | 1.39Å | Aromatic |
| C27 | C26 | doub | 1.39Å | 1.39Å | Aromatic |
| C25 | C26 | sing | 1.39Å | 1.39Å | Aromatic |
| C26 | O28 | sing | 1.36Å | 1.37Å | |
| O28 | C29 | sing | 1.43Å | 1.42Å | |
| C4 | H1 | sing | 1.09Å | 1.10Å | |
| C3 | H2 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C1 | H4 | sing | 1.09Å | 1.10Å | |
| C1 | H5 | sing | 1.09Å | 1.10Å | |
| C10 | H6 | sing | 1.09Å | 1.10Å | |
| C10 | H7 | sing | 1.09Å | 1.10Å | |
| C13 | H8 | sing | 1.09Å | 1.10Å | |
| C14 | H9 | sing | 1.09Å | 1.10Å | |
| C14 | H10 | sing | 1.09Å | 1.10Å | |
| C15 | H11 | sing | 1.09Å | 1.10Å | |
| C16 | H12 | sing | 1.09Å | 1.10Å | |
| C20 | H13 | sing | 1.09Å | 1.10Å | |
| C20 | H14 | sing | 1.09Å | 1.10Å | |
| C20 | H15 | sing | 1.09Å | 1.10Å | |
| C24 | H16 | sing | 1.08Å | 1.08Å | |
| C25 | H17 | sing | 1.08Å | 1.08Å | |
| C27 | H18 | sing | 1.08Å | 1.08Å | |
| C29 | H19 | sing | 1.09Å | 1.10Å | |
| C29 | H20 | sing | 1.09Å | 1.10Å | |
| C29 | H21 | sing | 1.09Å | 1.10Å | |
| C34 | H22 | sing | 1.08Å | 1.08Å | |
| C38 | H23 | sing | 1.08Å | 1.08Å | |
| C40 | H24 | sing | 1.09Å | 1.10Å | |
| C40 | H25 | sing | 1.09Å | 1.10Å | |
| C40 | H26 | sing | 1.09Å | 1.10Å | |
| C42 | H27 | sing | 1.09Å | 1.10Å | |
| C42 | H28 | sing | 1.09Å | 1.10Å | |
| C42 | H29 | sing | 1.09Å | 1.10Å | |
| C44 | H30 | sing | 1.09Å | 1.10Å | |
| C44 | H31 | sing | 1.09Å | 1.10Å | |
| C44 | H32 | sing | 1.09Å | 1.10Å | |
| C5 | H33 | sing | 1.09Å | 1.10Å | |
| C5 | H34 | sing | 1.09Å | 1.10Å | |
| C6 | H35 | sing | 1.09Å | 1.10Å | |
| C7 | H36 | sing | 1.09Å | 1.10Å | |
| C7 | H37 | sing | 1.09Å | 1.10Å | |
| C9 | H38 | sing | 1.09Å | 1.10Å | |
| C9 | H39 | sing | 1.09Å | 1.10Å | |
| N21 | H40 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C40 | O39 | C37 | 117.5° | 117.0° |
| O39 | C40 | H24 | 109.5° | 109.5° |
| O39 | C40 | H25 | 109.5° | 109.5° |
| O39 | C40 | H26 | 109.5° | 109.4° |
| O39 | C37 | C36 | 115.6° | 120.0° |
| O39 | C37 | C38 | 124.2° | 120.0° |
| C42 | O41 | C36 | 115.1° | 117.0° |
| O41 | C42 | H27 | 109.5° | 109.5° |
| O41 | C42 | H28 | 109.5° | 109.6° |
| O41 | C42 | H29 | 109.5° | 109.5° |
| O41 | C36 | C37 | 120.2° | 119.9° |
| O41 | C36 | C35 | 120.1° | 120.0° |
| C36 | C37 | C38 | 120.2° | 120.1° |
| C37 | C36 | C35 | 119.6° | 120.1° |
| C37 | C38 | C33 | 119.8° | 120.0° |
| C37 | C38 | H23 | 120.1° | 120.0° |
| C36 | C35 | O43 | 115.6° | 120.0° |
| C36 | C35 | C34 | 120.2° | 120.1° |
| C38 | C33 | C34 | 120.2° | 119.8° |
| C38 | C33 | C31 | 120.0° | 120.1° |
| C33 | C38 | H23 | 120.1° | 120.0° |
| O43 | C35 | C34 | 124.2° | 120.0° |
| C35 | O43 | C44 | 117.5° | 117.0° |
| C35 | C34 | C33 | 119.9° | 120.0° |
| C35 | C34 | H22 | 120.0° | 120.1° |
| O43 | C44 | H30 | 109.5° | 109.5° |
| O43 | C44 | H31 | 109.5° | 109.4° |
| O43 | C44 | H32 | 109.4° | 109.5° |
| C34 | C33 | C31 | 119.8° | 120.1° |
| C33 | C34 | H22 | 120.0° | 120.0° |
| C33 | C31 | O32 | 124.3° | 120.0° |
| C33 | C31 | O30 | 111.8° | 120.0° |
| O32 | C31 | O30 | 123.9° | 120.0° |
| C31 | O30 | C4 | 117.6° | 117.0° |
| O30 | C4 | C5 | 110.1° | 109.5° |
| O30 | C4 | C3 | 108.5° | 109.5° |
| O30 | C4 | H1 | 110.0° | 109.5° |
| C5 | C4 | C3 | 109.9° | 109.4° |
| C4 | C5 | C6 | 107.9° | 109.5° |
| C5 | C4 | H1 | 109.2° | 109.5° |
| C4 | C5 | H33 | 109.8° | 109.5° |
| C4 | C5 | H34 | 109.9° | 109.4° |
| C4 | C3 | O2 | 108.8° | 109.5° |
| C4 | C3 | C16 | 109.1° | 109.4° |
| C3 | C4 | H1 | 109.1° | 109.5° |
| C4 | C3 | H2 | 110.4° | 109.4° |
| C1 | O2 | C3 | 114.5° | 114.0° |
| O2 | C1 | H3 | 109.5° | 109.5° |
| O2 | C1 | H4 | 109.5° | 109.4° |
| O2 | C1 | H5 | 109.5° | 109.5° |
| O2 | C3 | C16 | 106.2° | 109.5° |
| O2 | C3 | H2 | 111.9° | 109.5° |
| C5 | C6 | C7 | 112.4° | 109.4° |
| C5 | C6 | C15 | 110.9° | 109.4° |
| C6 | C5 | H33 | 109.9° | 109.5° |
| C6 | C5 | H34 | 109.9° | 109.4° |
| C5 | C6 | H35 | 106.7° | 109.7° |
| C3 | C16 | C15 | 111.6° | 109.6° |
| C3 | C16 | C17 | 112.0° | 109.4° |
| C16 | C3 | H2 | 110.3° | 109.5° |
| C3 | C16 | H12 | 107.1° | 109.4° |
| C7 | C6 | C15 | 113.0° | 108.7° |
| C6 | C7 | N8 | 112.5° | 110.0° |
| C7 | C6 | H35 | 106.7° | 109.6° |
| C6 | C7 | H36 | 108.7° | 109.4° |
| C6 | C7 | H37 | 108.7° | 109.4° |
| C6 | C15 | C16 | 111.1° | 109.5° |
| C6 | C15 | C14 | 108.4° | 108.6° |
| C6 | C15 | H11 | 107.7° | 109.6° |
| C15 | C6 | H35 | 106.6° | 110.1° |
| C15 | C16 | C17 | 111.5° | 109.4° |
| C16 | C15 | C14 | 113.9° | 109.6° |
| C16 | C15 | H11 | 107.7° | 110.0° |
| C15 | C16 | H12 | 106.9° | 109.5° |
| C16 | C17 | O18 | 125.1° | 120.0° |
| C16 | C17 | O19 | 111.0° | 120.0° |
| C17 | C16 | H12 | 107.3° | 109.5° |
| C7 | N8 | C9 | 110.8° | 109.2° |
| C7 | N8 | C13 | 111.1° | 111.6° |
| N8 | C7 | H36 | 108.7° | 109.4° |
| N8 | C7 | H37 | 108.7° | 109.4° |
| C15 | C14 | C13 | 109.9° | 110.3° |
| C15 | C14 | H9 | 109.4° | 109.4° |
| C15 | C14 | H10 | 109.4° | 109.2° |
| C14 | C15 | H11 | 107.8° | 109.6° |
| O18 | C17 | O19 | 123.9° | 120.0° |
| C17 | O19 | C20 | 115.8° | 117.0° |
| O19 | C20 | H13 | 109.5° | 109.4° |
| O19 | C20 | H14 | 109.5° | 109.4° |
| O19 | C20 | H15 | 109.5° | 109.4° |
| C9 | N8 | C13 | 110.3° | 109.9° |
| N8 | C9 | C10 | 112.5° | 108.9° |
| N8 | C9 | H38 | 108.7° | 109.5° |
| N8 | C9 | H39 | 108.7° | 109.6° |
| N8 | C13 | C14 | 112.7° | 111.7° |
| N8 | C13 | C12 | 108.5° | 108.6° |
| N8 | C13 | H8 | 106.8° | 108.6° |
| C14 | C13 | C12 | 114.3° | 111.4° |
| C14 | C13 | H8 | 106.6° | 107.9° |
| C13 | C14 | H9 | 109.4° | 109.3° |
| C13 | C14 | H10 | 109.4° | 109.3° |
| C9 | C10 | C11 | 109.8° | 108.4° |
| C9 | C10 | H6 | 109.4° | 109.7° |
| C9 | C10 | H7 | 109.4° | 109.7° |
| C10 | C9 | H38 | 108.7° | 109.6° |
| C10 | C9 | H39 | 108.7° | 109.6° |
| C13 | C12 | C11 | 126.1° | 122.3° |
| C13 | C12 | N21 | 123.8° | 127.9° |
| C12 | C13 | H8 | 107.4° | 108.6° |
| C10 | C11 | C12 | 122.0° | 123.5° |
| C10 | C11 | C23 | 131.1° | 129.4° |
| C11 | C10 | H6 | 109.4° | 109.7° |
| C11 | C10 | H7 | 109.4° | 109.7° |
| C11 | C12 | N21 | 110.1° | 109.8° |
| C12 | C11 | C23 | 106.9° | 107.1° |
| C12 | N21 | C22 | 108.4° | 109.7° |
| C12 | N21 | H40 | 125.8° | 125.1° |
| C11 | C23 | C22 | 106.8° | 106.0° |
| C11 | C23 | C24 | 134.8° | 132.7° |
| N21 | C22 | C23 | 107.8° | 107.4° |
| N21 | C22 | C27 | 130.0° | 132.0° |
| C22 | N21 | H40 | 125.8° | 125.1° |
| C22 | C23 | C24 | 118.4° | 121.3° |
| C23 | C22 | C27 | 122.1° | 120.7° |
| C23 | C24 | C25 | 120.2° | 117.0° |
| C23 | C24 | H16 | 119.9° | 121.5° |
| C22 | C27 | C26 | 117.9° | 116.9° |
| C22 | C27 | H18 | 121.0° | 121.5° |
| C24 | C25 | C26 | 120.1° | 122.1° |
| C25 | C24 | H16 | 119.9° | 121.5° |
| C24 | C25 | H17 | 119.9° | 119.0° |
| C27 | C26 | C25 | 121.3° | 122.1° |
| C27 | C26 | O28 | 115.0° | 118.9° |
| C26 | C27 | H18 | 121.1° | 121.6° |
| C25 | C26 | O28 | 123.8° | 119.0° |
| C26 | C25 | H17 | 119.9° | 118.9° |
| C26 | O28 | C29 | 117.6° | 117.0° |
| O28 | C29 | H19 | 109.5° | 109.5° |
| O28 | C29 | H20 | 109.5° | 109.4° |
| O28 | C29 | H21 | 109.5° | 109.5° |
| H3 | C1 | H4 | 109.5° | 109.5° |
| H3 | C1 | H5 | 109.5° | 109.5° |
| H4 | C1 | H5 | 109.4° | 109.4° |
| H6 | C10 | H7 | 109.5° | 109.7° |
| H9 | C14 | H10 | 109.5° | 109.4° |
| H13 | C20 | H14 | 109.5° | 109.5° |
| H13 | C20 | H15 | 109.5° | 109.4° |
| H14 | C20 | H15 | 109.5° | 109.5° |
| H19 | C29 | H20 | 109.5° | 109.5° |
| H19 | C29 | H21 | 109.5° | 109.5° |
| H20 | C29 | H21 | 109.5° | 109.5° |
| H24 | C40 | H25 | 109.5° | 109.5° |
| H24 | C40 | H26 | 109.5° | 109.5° |
| H25 | C40 | H26 | 109.4° | 109.5° |
| H27 | C42 | H28 | 109.4° | 109.4° |
| H27 | C42 | H29 | 109.5° | 109.4° |
| H28 | C42 | H29 | 109.5° | 109.4° |
| H30 | C44 | H31 | 109.5° | 109.5° |
| H30 | C44 | H32 | 109.5° | 109.5° |
| H31 | C44 | H32 | 109.5° | 109.5° |
| H33 | C5 | H34 | 109.5° | 109.5° |
| H36 | C7 | H37 | 109.5° | 109.2° |
| H38 | C9 | H39 | 109.5° | 109.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C40 | O39 | C37 | C36 | 179.5° | 180.0° |
| C40 | O39 | C37 | C38 | 0.1° | 0.2° |
| O39 | C40 | H24 | H25 | 120.0° | 120.0° |
| O39 | C40 | H24 | H26 | 120.0° | 120.0° |
| O39 | C40 | H25 | H26 | 120.0° | 120.0° |
| O39 | C37 | C36 | O41 | 1.1° | 0.1° |
| O39 | C37 | C36 | C38 | 179.6° | 179.8° |
| O39 | C37 | C36 | C35 | 179.5° | 180.0° |
| O39 | C37 | C38 | C33 | 179.4° | 179.7° |
| O39 | C37 | C38 | H23 | 0.6° | 0.2° |
| C37 | O39 | C40 | H24 | 180.0° | 180.0° |
| C37 | O39 | C40 | H25 | 60.0° | 60.0° |
| C37 | O39 | C40 | H26 | 60.0° | 60.0° |
| C42 | O41 | C36 | C37 | 91.0° | 90.0° |
| C42 | O41 | C36 | C35 | 90.6° | 90.0° |
| O41 | C42 | H27 | H28 | 120.0° | 120.1° |
| O41 | C42 | H27 | H29 | 120.0° | 120.0° |
| O41 | C42 | H28 | H29 | 120.0° | 120.1° |
| O41 | C36 | C37 | C35 | 178.4° | 180.0° |
| O41 | C36 | C37 | C38 | 178.5° | 179.7° |
| O41 | C36 | C35 | O43 | 0.1° | 0.0° |
| O41 | C36 | C35 | C34 | 178.6° | 180.0° |
| C36 | O41 | C42 | H27 | 180.0° | 60.0° |
| C36 | O41 | C42 | H28 | 60.0° | 180.0° |
| C36 | O41 | C42 | H29 | 60.0° | 60.0° |
| C36 | C37 | C38 | C33 | 0.2° | 0.5° |
| C37 | C36 | C35 | O43 | 178.4° | 180.0° |
| C37 | C36 | C35 | C34 | 0.1° | 0.0° |
| C36 | C37 | C38 | H23 | 179.8° | 180.0° |
| C38 | C37 | C36 | C35 | 0.1° | 0.3° |
| C37 | C38 | C33 | H23 | 180.0° | 179.5° |
| C37 | C38 | C33 | C34 | 0.3° | 0.5° |
| C37 | C38 | C33 | C31 | 177.0° | 179.7° |
| C36 | C35 | O43 | C34 | 178.4° | 180.0° |
| C36 | C35 | O43 | C44 | 174.6° | 180.0° |
| C36 | C35 | C34 | C33 | 0.3° | 0.0° |
| C36 | C35 | C34 | H22 | 179.7° | 180.0° |
| C38 | C33 | C34 | C35 | 0.4° | 0.3° |
| C38 | C33 | C34 | C31 | 177.3° | 179.7° |
| C38 | C33 | C31 | O32 | 6.8° | 179.8° |
| C38 | C33 | C31 | O30 | 173.8° | 0.3° |
| C38 | C33 | C34 | H22 | 179.6° | 179.7° |
| O43 | C35 | C34 | C33 | 178.1° | 180.0° |
| O43 | C35 | C34 | H22 | 1.9° | 0.0° |
| C35 | O43 | C44 | H30 | 180.0° | 180.0° |
| C35 | O43 | C44 | H31 | 60.0° | 60.0° |
| C35 | O43 | C44 | H32 | 60.0° | 59.9° |
| C34 | C35 | O43 | C44 | 3.9° | 0.0° |
| C35 | C34 | C33 | H22 | 180.0° | 180.0° |
| C35 | C34 | C33 | C31 | 176.9° | 180.0° |
| O43 | C44 | H30 | H31 | 120.0° | 119.9° |
| O43 | C44 | H30 | H32 | 120.0° | 120.1° |
| O43 | C44 | H31 | H32 | 120.0° | 120.0° |
| C34 | C33 | C31 | O32 | 170.5° | 0.1° |
| C34 | C33 | C31 | O30 | 8.8° | 180.0° |
| C34 | C33 | C38 | H23 | 179.7° | 180.0° |
| C33 | C31 | O32 | O30 | 179.3° | 179.9° |
| C33 | C31 | O30 | C4 | 175.5° | 180.0° |
| C31 | C33 | C34 | H22 | 3.1° | 0.0° |
| C31 | C33 | C38 | H23 | 3.0° | 0.3° |
| O32 | C31 | O30 | C4 | 3.8° | 0.1° |
| C31 | O30 | C4 | C5 | 75.5° | 90.0° |
| C31 | O30 | C4 | C3 | 164.2° | 150.0° |
| C31 | O30 | C4 | H1 | 44.9° | 30.1° |
| O30 | C4 | C5 | C3 | 119.5° | 120.0° |
| O30 | C4 | C5 | H1 | 120.9° | 120.0° |
| O30 | C4 | C3 | H1 | 119.9° | 120.0° |
| O30 | C4 | C3 | O2 | 61.5° | 60.0° |
| O30 | C4 | C5 | C6 | 176.0° | 179.9° |
| O30 | C4 | C3 | C16 | 176.9° | 179.9° |
| O30 | C4 | C3 | H2 | 61.7° | 60.1° |
| O30 | C4 | C5 | H33 | 64.2° | 60.1° |
| O30 | C4 | C5 | H34 | 56.2° | 59.9° |
| C5 | C4 | C3 | H1 | 119.7° | 120.1° |
| C5 | C4 | C3 | O2 | 178.1° | 179.9° |
| C4 | C5 | C6 | H33 | 119.7° | 120.0° |
| C4 | C5 | C6 | H34 | 119.8° | 120.0° |
| C5 | C4 | C3 | C16 | 62.7° | 60.1° |
| C4 | C5 | C6 | C7 | 172.5° | 178.9° |
| C4 | C5 | C6 | C15 | 59.9° | 60.0° |
| C5 | C4 | C3 | H2 | 58.7° | 59.9° |
| C4 | C5 | H33 | H34 | 120.7° | 120.0° |
| C4 | C5 | C6 | H35 | 55.8° | 60.9° |
| C4 | C3 | O2 | C1 | 107.5° | 90.0° |
| C4 | C3 | O2 | C16 | 117.3° | 119.9° |
| C4 | C3 | O2 | H2 | 122.3° | 120.0° |
| C3 | C4 | C5 | C6 | 64.5° | 60.2° |
| C4 | C3 | C16 | H2 | 121.5° | 119.9° |
| C4 | C3 | C16 | C15 | 55.8° | 60.0° |
| C4 | C3 | C16 | C17 | 178.3° | 180.0° |
| C4 | C3 | C16 | H12 | 60.9° | 60.1° |
| C3 | C4 | C5 | H33 | 55.2° | 59.9° |
| C3 | C4 | C5 | H34 | 175.7° | 179.8° |
| C1 | O2 | C3 | C16 | 135.2° | 150.1° |
| C1 | O2 | C3 | H2 | 14.8° | 30.0° |
| O2 | C1 | H3 | H4 | 120.0° | 120.0° |
| O2 | C1 | H3 | H5 | 120.0° | 120.1° |
| O2 | C1 | H4 | H5 | 120.0° | 119.9° |
| O2 | C3 | C16 | H2 | 121.5° | 120.1° |
| O2 | C3 | C16 | C15 | 172.8° | 180.0° |
| O2 | C3 | C16 | C17 | 61.3° | 60.0° |
| O2 | C3 | C4 | H1 | 58.4° | 60.0° |
| C3 | O2 | C1 | H3 | 180.0° | 60.0° |
| C3 | O2 | C1 | H4 | 60.0° | 60.0° |
| C3 | O2 | C1 | H5 | 60.0° | 179.9° |
| O2 | C3 | C16 | H12 | 56.1° | 59.9° |
| C5 | C6 | C7 | C15 | 126.4° | 119.4° |
| C5 | C6 | C7 | H35 | 116.7° | 120.3° |
| C5 | C6 | C15 | H35 | 115.8° | 120.6° |
| C5 | C6 | C15 | C16 | 54.1° | 59.8° |
| C5 | C6 | C7 | N8 | 74.0° | 58.4° |
| C5 | C6 | C15 | C14 | 71.8° | 59.8° |
| C6 | C5 | C4 | H1 | 55.1° | 59.9° |
| C5 | C6 | C15 | H11 | 171.8° | 179.5° |
| C6 | C5 | H33 | H34 | 120.7° | 120.0° |
| C5 | C6 | C7 | H36 | 46.4° | 61.8° |
| C5 | C6 | C7 | H37 | 165.5° | 178.6° |
| C3 | C16 | C15 | C6 | 52.0° | 59.9° |
| C3 | C16 | C15 | C17 | 126.2° | 119.9° |
| C3 | C16 | C15 | H12 | 116.8° | 120.1° |
| C3 | C16 | C17 | H12 | 117.3° | 119.9° |
| C3 | C16 | C15 | C14 | 70.8° | 59.1° |
| C3 | C16 | C17 | O18 | 153.1° | 120.0° |
| C3 | C16 | C17 | O19 | 27.2° | 60.0° |
| C16 | C3 | C4 | H1 | 57.0° | 60.0° |
| C3 | C16 | C15 | H11 | 169.7° | 179.7° |
| C7 | C6 | C15 | H35 | 117.0° | 120.1° |
| C7 | C6 | C15 | C16 | 178.6° | 179.2° |
| C6 | C7 | N8 | H36 | 120.5° | 120.2° |
| C6 | C7 | N8 | H37 | 120.4° | 120.2° |
| C7 | C6 | C15 | C14 | 55.4° | 59.5° |
| C6 | C7 | N8 | C9 | 173.6° | 178.8° |
| C6 | C7 | N8 | C13 | 50.6° | 59.6° |
| C7 | C6 | C15 | H11 | 61.0° | 60.2° |
| C7 | C6 | C5 | H33 | 67.8° | 58.8° |
| C7 | C6 | C5 | H34 | 52.7° | 61.1° |
| C6 | C7 | H36 | H37 | 118.6° | 119.7° |
| C6 | C15 | C16 | C14 | 122.8° | 119.0° |
| C6 | C15 | C16 | H11 | 117.7° | 120.4° |
| C6 | C15 | C16 | C17 | 178.2° | 179.9° |
| C15 | C6 | C7 | N8 | 52.4° | 61.0° |
| C6 | C15 | C14 | H11 | 116.3° | 119.7° |
| C6 | C15 | C14 | C13 | 57.9° | 56.9° |
| C6 | C15 | C14 | H9 | 178.0° | 63.3° |
| C6 | C15 | C14 | H10 | 62.2° | 177.0° |
| C6 | C15 | C16 | H12 | 64.8° | 60.1° |
| C15 | C6 | C5 | H33 | 59.8° | 60.1° |
| C15 | C6 | C5 | H34 | 179.7° | 179.9° |
| C15 | C6 | C7 | H36 | 172.9° | 178.8° |
| C15 | C6 | C7 | H37 | 68.1° | 59.2° |
| C15 | C16 | C17 | H12 | 116.8° | 120.0° |
| C16 | C15 | C14 | H11 | 119.4° | 120.8° |
| C15 | C16 | C17 | O18 | 81.0° | 0.0° |
| C15 | C16 | C17 | O19 | 98.7° | 179.9° |
| C16 | C15 | C14 | C13 | 177.8° | 176.5° |
| C15 | C16 | C3 | H2 | 65.7° | 59.9° |
| C16 | C15 | C14 | H9 | 57.8° | 56.3° |
| C16 | C15 | C14 | H10 | 62.1° | 63.4° |
| C16 | C15 | C6 | H35 | 61.7° | 60.8° |
| C17 | C16 | C15 | C14 | 55.4° | 60.9° |
| C16 | C17 | O18 | O19 | 179.6° | 179.9° |
| C16 | C17 | O19 | C20 | 180.0° | 180.0° |
| C17 | C16 | C3 | H2 | 60.2° | 60.1° |
| C17 | C16 | C15 | H11 | 64.1° | 59.7° |
| C7 | N8 | C9 | C13 | 123.4° | 122.7° |
| C7 | N8 | C13 | C14 | 55.0° | 56.9° |
| C7 | N8 | C9 | C10 | 58.4° | 50.1° |
| C7 | N8 | C13 | C12 | 72.7° | 66.3° |
| C7 | N8 | C13 | H8 | 171.8° | 175.8° |
| N8 | C7 | C6 | H35 | 169.3° | 178.7° |
| N8 | C7 | H36 | H37 | 118.6° | 119.7° |
| C7 | N8 | C9 | H38 | 178.8° | 69.8° |
| C7 | N8 | C9 | H39 | 62.1° | 169.9° |
| C15 | C14 | C13 | N8 | 59.6° | 55.6° |
| C15 | C14 | C13 | H9 | 120.1° | 120.3° |
| C15 | C14 | C13 | H10 | 120.0° | 120.0° |
| C15 | C14 | C13 | C12 | 64.9° | 66.1° |
| C15 | C14 | C13 | H8 | 176.5° | 174.9° |
| C15 | C14 | H9 | H10 | 119.8° | 119.6° |
| C14 | C15 | C16 | H12 | 172.4° | 179.1° |
| C14 | C15 | C6 | H35 | 172.4° | 179.6° |
| O18 | C17 | O19 | C20 | 0.4° | 0.0° |
| O18 | C17 | C16 | H12 | 35.8° | 120.1° |
| O19 | C17 | C16 | H12 | 144.5° | 59.9° |
| C17 | O19 | C20 | H13 | 180.0° | 180.0° |
| C17 | O19 | C20 | H14 | 60.0° | 60.0° |
| C17 | O19 | C20 | H15 | 60.0° | 60.0° |
| O19 | C20 | H13 | H14 | 120.0° | 120.0° |
| O19 | C20 | H13 | H15 | 120.0° | 119.9° |
| O19 | C20 | H14 | H15 | 120.0° | 120.0° |
| C9 | N8 | C13 | C14 | 178.3° | 178.2° |
| N8 | C9 | C10 | H38 | 120.4° | 119.8° |
| N8 | C9 | C10 | H39 | 120.5° | 119.8° |
| C9 | N8 | C13 | C12 | 50.6° | 55.0° |
| N8 | C9 | C10 | C11 | 42.1° | 48.4° |
| N8 | C9 | C10 | H6 | 162.2° | 71.4° |
| N8 | C9 | C10 | H7 | 77.9° | 168.1° |
| C9 | N8 | C13 | H8 | 64.9° | 63.0° |
| C9 | N8 | C7 | H36 | 66.0° | 58.6° |
| C9 | N8 | C7 | H37 | 53.1° | 61.1° |
| N8 | C9 | H38 | H39 | 118.6° | 120.3° |
| N8 | C13 | C14 | C12 | 124.5° | 121.7° |
| N8 | C13 | C14 | H8 | 116.9° | 119.3° |
| C13 | N8 | C9 | C10 | 65.1° | 72.6° |
| N8 | C13 | C12 | H8 | 115.2° | 117.9° |
| N8 | C13 | C12 | C11 | 20.5° | 19.8° |
| N8 | C13 | C12 | N21 | 158.6° | 160.4° |
| N8 | C13 | C14 | H9 | 179.7° | 64.7° |
| N8 | C13 | C14 | H10 | 60.4° | 175.6° |
| C13 | N8 | C7 | H36 | 171.0° | 179.7° |
| C13 | N8 | C7 | H37 | 69.9° | 60.6° |
| C13 | N8 | C9 | H38 | 55.4° | 167.5° |
| C13 | N8 | C9 | H39 | 174.5° | 47.2° |
| C14 | C13 | C12 | H8 | 118.1° | 118.6° |
| C14 | C13 | C12 | C11 | 147.2° | 143.2° |
| C14 | C13 | C12 | N21 | 31.9° | 37.0° |
| C13 | C14 | H9 | H10 | 119.8° | 119.6° |
| C13 | C14 | C15 | H11 | 58.4° | 62.7° |
| C9 | C10 | C11 | H6 | 120.1° | 119.7° |
| C9 | C10 | C11 | H7 | 120.1° | 119.7° |
| C9 | C10 | C11 | C12 | 10.8° | 14.6° |
| C9 | C10 | C11 | C23 | 170.8° | 165.3° |
| C9 | C10 | H6 | H7 | 119.9° | 120.5° |
| C10 | C9 | H38 | H39 | 118.6° | 120.3° |
| C13 | C12 | C11 | C10 | 0.5° | 0.3° |
| C13 | C12 | C11 | N21 | 179.2° | 179.8° |
| C13 | C12 | C11 | C23 | 179.2° | 179.5° |
| C13 | C12 | N21 | C22 | 179.3° | 179.5° |
| C12 | C13 | C14 | H9 | 55.1° | 173.6° |
| C12 | C13 | C14 | H10 | 175.0° | 54.0° |
| C13 | C12 | N21 | H40 | 0.7° | 0.5° |
| C10 | C11 | C12 | C23 | 178.7° | 179.9° |
| C10 | C11 | C12 | N21 | 178.7° | 179.8° |
| C10 | C11 | C23 | C22 | 178.6° | 179.9° |
| C10 | C11 | C23 | C24 | 0.4° | 0.2° |
| C11 | C10 | H6 | H7 | 119.8° | 120.5° |
| C11 | C10 | C9 | H38 | 78.3° | 168.2° |
| C11 | C10 | C9 | H39 | 162.6° | 71.5° |
| C11 | C12 | N21 | C22 | 0.0° | 0.3° |
| C12 | C11 | C23 | C22 | 0.0° | 0.2° |
| C12 | C11 | C23 | C24 | 179.0° | 179.7° |
| C12 | C11 | C10 | H6 | 130.9° | 105.2° |
| C12 | C11 | C10 | H7 | 109.3° | 134.3° |
| C11 | C12 | C13 | H8 | 94.6° | 98.1° |
| C11 | C12 | N21 | H40 | 180.0° | 179.7° |
| N21 | C12 | C11 | C23 | 0.0° | 0.3° |
| C12 | N21 | C22 | H40 | 180.0° | 180.0° |
| C12 | N21 | C22 | C23 | 0.0° | 0.2° |
| C12 | N21 | C22 | C27 | 179.0° | 179.7° |
| N21 | C12 | C13 | H8 | 86.2° | 81.7° |
| C11 | C23 | C22 | N21 | 0.0° | 0.0° |
| C11 | C23 | C22 | C24 | 179.2° | 179.9° |
| C11 | C23 | C22 | C27 | 179.1° | 179.9° |
| C11 | C23 | C24 | C25 | 178.7° | 179.9° |
| C23 | C11 | C10 | H6 | 50.7° | 75.0° |
| C23 | C11 | C10 | H7 | 69.1° | 45.6° |
| C11 | C23 | C24 | H16 | 1.2° | 0.1° |
| N21 | C22 | C23 | C27 | 179.1° | 179.9° |
| N21 | C22 | C23 | C24 | 179.2° | 179.9° |
| N21 | C22 | C27 | C26 | 178.9° | 179.9° |
| N21 | C22 | C27 | H18 | 1.1° | 0.1° |
| C22 | C23 | C24 | C25 | 0.1° | 0.0° |
| C23 | C22 | C27 | C26 | 0.0° | 0.1° |
| C22 | C23 | C24 | H16 | 179.9° | 180.0° |
| C23 | C22 | C27 | H18 | 179.9° | 179.9° |
| C23 | C22 | N21 | H40 | 180.0° | 179.8° |
| C24 | C23 | C22 | C27 | 0.1° | 0.0° |
| C23 | C24 | C25 | H16 | 180.0° | 180.0° |
| C23 | C24 | C25 | C26 | 0.1° | 0.0° |
| C23 | C24 | C25 | H17 | 179.9° | 180.0° |
| C22 | C27 | C26 | H18 | 180.0° | 180.0° |
| C22 | C27 | C26 | C25 | 0.0° | 0.1° |
| C22 | C27 | C26 | O28 | 179.8° | 180.0° |
| C27 | C22 | N21 | H40 | 1.0° | 0.3° |
| C24 | C25 | C26 | C27 | 0.0° | 0.0° |
| C24 | C25 | C26 | H17 | 180.0° | 180.0° |
| C24 | C25 | C26 | O28 | 179.7° | 180.0° |
| C27 | C26 | C25 | O28 | 179.8° | 180.0° |
| C27 | C26 | O28 | C29 | 178.5° | 180.0° |
| C27 | C26 | C25 | H17 | 180.0° | 179.9° |
| C25 | C26 | O28 | C29 | 1.3° | 0.0° |
| C26 | C25 | C24 | H16 | 179.9° | 180.0° |
| C25 | C26 | C27 | H18 | 180.0° | 179.9° |
| O28 | C26 | C25 | H17 | 0.3° | 0.0° |
| O28 | C26 | C27 | H18 | 0.2° | 0.0° |
| C26 | O28 | C29 | H19 | 180.0° | 60.1° |
| C26 | O28 | C29 | H20 | 60.0° | 180.0° |
| C26 | O28 | C29 | H21 | 60.0° | 60.0° |
| O28 | C29 | H19 | H20 | 120.0° | 120.0° |
| O28 | C29 | H19 | H21 | 120.0° | 120.0° |
| O28 | C29 | H20 | H21 | 120.0° | 120.0° |
| H1 | C4 | C3 | H2 | 178.4° | 180.0° |
| H1 | C4 | C5 | H33 | 174.9° | 179.9° |
| H1 | C4 | C5 | H34 | 64.6° | 60.1° |
| H2 | C3 | C16 | H12 | 177.6° | 180.0° |
| H3 | C1 | H4 | H5 | 120.0° | 120.0° |
| H6 | C10 | C9 | H38 | 41.7° | 48.4° |
| H6 | C10 | C9 | H39 | 77.4° | 168.8° |
| H7 | C10 | C9 | H38 | 161.6° | 72.1° |
| H7 | C10 | C9 | H39 | 42.5° | 48.2° |
| H8 | C13 | C14 | H9 | 63.4° | 54.6° |
| H8 | C13 | C14 | H10 | 56.5° | 65.1° |
| H9 | C14 | C15 | H11 | 61.6° | 177.0° |
| H10 | C14 | C15 | H11 | 178.5° | 57.3° |
| H11 | C15 | C16 | H12 | 52.9° | 60.3° |
| H11 | C15 | C6 | H35 | 56.0° | 59.9° |
| H13 | C20 | H14 | H15 | 120.0° | 120.0° |
| H16 | C24 | C25 | H17 | 0.1° | 0.0° |
| H19 | C29 | H20 | H21 | 120.0° | 120.0° |
| H24 | C40 | H25 | H26 | 120.0° | 120.0° |
| H27 | C42 | H28 | H29 | 120.0° | 119.9° |
| H30 | C44 | H31 | H32 | 120.0° | 120.1° |
| H33 | C5 | C6 | H35 | 175.5° | 179.1° |
| H34 | C5 | C6 | H35 | 64.0° | 59.1° |
| H35 | C6 | C7 | H36 | 70.2° | 58.4° |
| H35 | C6 | C7 | H37 | 48.8° | 61.2° |
