YH8
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.50Å | 1.49Å | |
| C1 | O6 | sing | 1.43Å | 1.43Å | |
| C2 | C3 | doub | 1.32Å | 1.36Å | |
| C37 | N10 | sing | 1.46Å | 1.46Å | |
| C37 | C35 | sing | 1.51Å | 1.52Å | |
| O6 | C5 | sing | 1.43Å | 1.43Å | |
| N15 | C9 | doub | 1.32Å | 1.32Å | Aromatic |
| N15 | C7 | sing | 1.34Å | 1.38Å | Aromatic |
| N10 | C9 | sing | 1.38Å | 1.38Å | |
| N10 | C11 | sing | 1.37Å | 1.42Å | |
| C3 | C7 | sing | 1.48Å | 1.46Å | |
| C3 | C4 | sing | 1.50Å | 1.52Å | |
| C16 | C11 | sing | 1.51Å | 1.51Å | |
| C16 | C48 | sing | 1.53Å | 1.52Å | |
| N34 | C35 | sing | 1.35Å | 1.35Å | |
| N34 | C29 | sing | 1.40Å | 1.42Å | |
| C9 | N8 | sing | 1.36Å | 1.34Å | Aromatic |
| C7 | N14 | doub | 1.32Å | 1.34Å | Aromatic |
| C11 | C12 | doub | 1.36Å | 1.38Å | |
| C28 | C29 | doub | 1.39Å | 1.40Å | Aromatic |
| C28 | C27 | sing | 1.38Å | 1.38Å | Aromatic |
| C35 | O36 | doub | 1.21Å | 1.22Å | |
| C23 | C22 | sing | 1.53Å | 1.53Å | |
| C23 | N17 | sing | 1.47Å | 1.48Å | |
| C5 | C4 | sing | 1.53Å | 1.55Å | |
| C43 | C44 | doub | 1.39Å | 1.37Å | Aromatic |
| C43 | N42 | sing | 1.31Å | 1.35Å | Aromatic |
| N8 | N14 | sing | 1.40Å | 1.37Å | Aromatic |
| N8 | C13 | sing | 1.35Å | 1.39Å | |
| C44 | C45 | sing | 1.38Å | 1.38Å | Aromatic |
| C22 | N21 | sing | 1.47Å | 1.47Å | |
| C29 | C24 | sing | 1.39Å | 1.42Å | Aromatic |
| C12 | C13 | sing | 1.41Å | 1.44Å | |
| C12 | N17 | sing | 1.41Å | 1.38Å | |
| C27 | C26 | doub | 1.38Å | 1.39Å | Aromatic |
| C13 | O18 | doub | 1.22Å | 1.22Å | |
| N42 | C41 | doub | 1.33Å | 1.35Å | Aromatic |
| N17 | C19 | sing | 1.47Å | 1.48Å | |
| C45 | C46 | doub | 1.39Å | 1.39Å | Aromatic |
| C41 | C46 | sing | 1.40Å | 1.40Å | Aromatic |
| C41 | C39 | sing | 1.48Å | 1.51Å | |
| C24 | C38 | sing | 1.51Å | 1.51Å | |
| C24 | C25 | doub | 1.38Å | 1.39Å | Aromatic |
| C46 | O47 | sing | 1.36Å | 1.36Å | |
| N21 | C39 | sing | 1.35Å | 1.35Å | |
| N21 | C20 | sing | 1.47Å | 1.47Å | |
| C26 | C25 | sing | 1.38Å | 1.39Å | Aromatic |
| C26 | C30 | sing | 1.51Å | 1.50Å | |
| F33 | C30 | sing | 1.40Å | 1.30Å | |
| C19 | C20 | sing | 1.53Å | 1.52Å | |
| C39 | O40 | doub | 1.22Å | 1.22Å | |
| C30 | F31 | sing | 1.40Å | 1.27Å | |
| C30 | F32 | sing | 1.40Å | 1.31Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C2 | H3 | sing | 1.08Å | 1.08Å | |
| C43 | H4 | sing | 1.08Å | 1.08Å | |
| C44 | H5 | sing | 1.08Å | 1.08Å | |
| C45 | H6 | sing | 1.08Å | 1.08Å | |
| C48 | H7 | sing | 1.09Å | 1.10Å | |
| C48 | H8 | sing | 1.09Å | 1.10Å | |
| C48 | H9 | sing | 1.09Å | 1.10Å | |
| C16 | H10 | sing | 1.09Å | 1.10Å | |
| C16 | H11 | sing | 1.09Å | 1.10Å | |
| C19 | H12 | sing | 1.09Å | 1.10Å | |
| C19 | H13 | sing | 1.09Å | 1.10Å | |
| C20 | H14 | sing | 1.09Å | 1.10Å | |
| C20 | H15 | sing | 1.09Å | 1.10Å | |
| C22 | H16 | sing | 1.09Å | 1.10Å | |
| C22 | H17 | sing | 1.09Å | 1.10Å | |
| C23 | H18 | sing | 1.09Å | 1.10Å | |
| C23 | H19 | sing | 1.09Å | 1.10Å | |
| C25 | H20 | sing | 1.08Å | 1.08Å | |
| C27 | H21 | sing | 1.08Å | 1.08Å | |
| C28 | H22 | sing | 1.08Å | 1.08Å | |
| C4 | H23 | sing | 1.09Å | 1.10Å | |
| C4 | H24 | sing | 1.09Å | 1.10Å | |
| C5 | H25 | sing | 1.09Å | 1.10Å | |
| C5 | H26 | sing | 1.09Å | 1.10Å | |
| N34 | H27 | sing | 0.97Å | 1.00Å | |
| C37 | H28 | sing | 1.09Å | 1.10Å | |
| C37 | H29 | sing | 1.09Å | 1.10Å | |
| C38 | H30 | sing | 1.09Å | 1.10Å | |
| C38 | H31 | sing | 1.09Å | 1.10Å | |
| C38 | H32 | sing | 1.09Å | 1.10Å | |
| O47 | H33 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | O6 | 112.9° | 110.2° |
| C1 | C2 | C3 | 120.9° | 122.6° |
| C2 | C1 | H1 | 108.6° | 109.4° |
| C2 | C1 | H2 | 108.6° | 109.3° |
| C1 | C2 | H3 | 119.5° | 118.8° |
| C1 | O6 | C5 | 112.1° | 113.1° |
| O6 | C1 | H1 | 108.6° | 109.4° |
| O6 | C1 | H2 | 108.6° | 109.4° |
| C2 | C3 | C7 | 119.9° | 118.9° |
| C2 | C3 | C4 | 121.9° | 122.3° |
| C3 | C2 | H3 | 119.5° | 118.6° |
| N10 | C37 | C35 | 109.3° | 109.5° |
| C37 | N10 | C9 | 119.0° | 119.8° |
| C37 | N10 | C11 | 122.5° | 119.9° |
| N10 | C37 | H28 | 109.5° | 109.5° |
| N10 | C37 | H29 | 109.5° | 109.5° |
| C37 | C35 | N34 | 114.7° | 120.0° |
| C37 | C35 | O36 | 121.2° | 120.0° |
| C35 | C37 | H28 | 109.5° | 109.5° |
| C35 | C37 | H29 | 109.5° | 109.5° |
| O6 | C5 | C4 | 111.4° | 108.5° |
| O6 | C5 | H25 | 109.0° | 109.7° |
| O6 | C5 | H26 | 109.0° | 109.9° |
| C9 | N15 | C7 | 101.8° | 109.7° |
| N15 | C9 | N10 | 127.3° | 132.1° |
| N15 | C9 | N8 | 111.1° | 107.8° |
| N15 | C7 | C3 | 122.4° | 125.4° |
| N15 | C7 | N14 | 115.6° | 109.2° |
| C9 | N10 | C11 | 118.2° | 120.3° |
| N10 | C9 | N8 | 121.5° | 120.1° |
| N10 | C11 | C16 | 120.6° | 120.0° |
| N10 | C11 | C12 | 119.2° | 119.9° |
| C7 | C3 | C4 | 118.2° | 118.8° |
| C3 | C7 | N14 | 122.0° | 125.4° |
| C3 | C4 | C5 | 110.3° | 109.5° |
| C3 | C4 | H23 | 109.3° | 109.5° |
| C3 | C4 | H24 | 109.3° | 109.4° |
| C11 | C16 | C48 | 112.2° | 109.5° |
| C16 | C11 | C12 | 120.2° | 120.0° |
| C11 | C16 | H10 | 108.7° | 109.5° |
| C11 | C16 | H11 | 108.7° | 109.5° |
| C16 | C48 | H7 | 109.5° | 109.5° |
| C16 | C48 | H8 | 109.5° | 109.5° |
| C16 | C48 | H9 | 109.5° | 109.5° |
| C48 | C16 | H10 | 108.8° | 109.5° |
| C48 | C16 | H11 | 108.8° | 109.5° |
| C35 | N34 | C29 | 126.0° | 120.0° |
| N34 | C35 | O36 | 124.0° | 120.0° |
| C35 | N34 | H27 | 117.0° | 120.0° |
| N34 | C29 | C28 | 118.3° | 120.0° |
| N34 | C29 | C24 | 121.2° | 120.1° |
| C29 | N34 | H27 | 117.0° | 120.0° |
| C9 | N8 | N14 | 110.5° | 106.6° |
| C9 | N8 | C13 | 124.6° | 120.5° |
| C7 | N14 | N8 | 101.0° | 106.8° |
| C11 | C12 | C13 | 123.0° | 119.5° |
| C11 | C12 | N17 | 126.4° | 120.2° |
| C29 | C28 | C27 | 119.5° | 119.9° |
| C28 | C29 | C24 | 120.5° | 119.9° |
| C29 | C28 | H22 | 120.2° | 120.1° |
| C28 | C27 | C26 | 121.0° | 120.0° |
| C28 | C27 | H21 | 119.5° | 120.0° |
| C27 | C28 | H22 | 120.2° | 120.0° |
| C22 | C23 | N17 | 111.0° | 108.6° |
| C23 | C22 | N21 | 110.2° | 108.6° |
| C23 | C22 | H16 | 109.3° | 109.6° |
| C23 | C22 | H17 | 109.3° | 109.8° |
| C22 | C23 | H18 | 109.1° | 109.6° |
| C22 | C23 | H19 | 109.1° | 109.6° |
| C23 | N17 | C12 | 119.7° | 120.6° |
| C23 | N17 | C19 | 117.0° | 118.8° |
| N17 | C23 | H18 | 109.1° | 109.6° |
| N17 | C23 | H19 | 109.1° | 109.7° |
| C5 | C4 | H23 | 109.3° | 109.5° |
| C5 | C4 | H24 | 109.3° | 109.5° |
| C4 | C5 | H25 | 109.0° | 109.6° |
| C4 | C5 | H26 | 109.0° | 109.7° |
| C44 | C43 | N42 | 123.5° | 121.1° |
| C43 | C44 | C45 | 118.4° | 119.4° |
| C44 | C43 | H4 | 118.2° | 119.5° |
| C43 | C44 | H5 | 120.8° | 120.3° |
| C43 | N42 | C41 | 117.9° | 121.7° |
| N42 | C43 | H4 | 118.3° | 119.4° |
| N14 | N8 | C13 | 124.9° | 132.9° |
| N8 | C13 | C12 | 113.4° | 119.7° |
| N8 | C13 | O18 | 120.2° | 120.2° |
| C44 | C45 | C46 | 119.6° | 118.5° |
| C45 | C44 | H5 | 120.8° | 120.3° |
| C44 | C45 | H6 | 120.2° | 120.8° |
| C22 | N21 | C39 | 125.3° | 120.6° |
| C22 | N21 | C20 | 112.6° | 118.8° |
| N21 | C22 | H16 | 109.3° | 109.6° |
| N21 | C22 | H17 | 109.3° | 109.6° |
| C29 | C24 | C38 | 122.8° | 120.1° |
| C29 | C24 | C25 | 117.9° | 119.9° |
| C13 | C12 | N17 | 110.6° | 120.3° |
| C12 | C13 | O18 | 126.3° | 120.1° |
| C12 | N17 | C19 | 120.5° | 120.6° |
| C27 | C26 | C25 | 119.2° | 120.2° |
| C27 | C26 | C30 | 120.6° | 119.9° |
| C26 | C27 | H21 | 119.5° | 120.0° |
| N42 | C41 | C46 | 122.3° | 120.5° |
| N42 | C41 | C39 | 118.1° | 119.8° |
| N17 | C19 | C20 | 111.0° | 108.6° |
| N17 | C19 | H12 | 109.1° | 109.7° |
| N17 | C19 | H13 | 109.1° | 109.8° |
| C45 | C46 | C41 | 118.3° | 118.9° |
| C45 | C46 | O47 | 119.2° | 120.6° |
| C46 | C45 | H6 | 120.2° | 120.7° |
| C46 | C41 | C39 | 119.4° | 119.8° |
| C41 | C46 | O47 | 122.4° | 120.6° |
| C41 | C39 | N21 | 119.1° | 120.0° |
| C41 | C39 | O40 | 118.2° | 120.0° |
| C38 | C24 | C25 | 119.2° | 120.0° |
| C24 | C38 | H30 | 109.5° | 109.4° |
| C24 | C38 | H31 | 109.5° | 109.4° |
| C24 | C38 | H32 | 109.5° | 109.5° |
| C24 | C25 | C26 | 121.9° | 120.1° |
| C24 | C25 | H20 | 119.0° | 120.0° |
| C46 | O47 | H33 | 109.5° | 114.0° |
| C39 | N21 | C20 | 122.0° | 120.6° |
| N21 | C39 | O40 | 122.7° | 120.0° |
| N21 | C20 | C19 | 110.1° | 108.6° |
| N21 | C20 | H14 | 109.3° | 109.6° |
| N21 | C20 | H15 | 109.3° | 109.8° |
| C25 | C26 | C30 | 120.3° | 119.9° |
| C26 | C25 | H20 | 119.1° | 119.9° |
| C26 | C30 | F33 | 112.3° | 109.5° |
| C26 | C30 | F31 | 112.5° | 109.5° |
| C26 | C30 | F32 | 114.1° | 109.4° |
| F33 | C30 | F31 | 106.9° | 109.5° |
| F33 | C30 | F32 | 107.3° | 109.5° |
| C20 | C19 | H12 | 109.1° | 109.6° |
| C20 | C19 | H13 | 109.1° | 109.6° |
| C19 | C20 | H14 | 109.3° | 109.6° |
| C19 | C20 | H15 | 109.3° | 109.6° |
| F31 | C30 | F32 | 103.2° | 109.5° |
| H1 | C1 | H2 | 109.5° | 109.2° |
| H7 | C48 | H8 | 109.5° | 109.5° |
| H7 | C48 | H9 | 109.4° | 109.4° |
| H8 | C48 | H9 | 109.5° | 109.5° |
| H10 | C16 | H11 | 109.5° | 109.4° |
| H12 | C19 | H13 | 109.5° | 109.6° |
| H14 | C20 | H15 | 109.4° | 109.6° |
| H16 | C22 | H17 | 109.4° | 109.6° |
| H18 | C23 | H19 | 109.5° | 109.7° |
| H23 | C4 | H24 | 109.5° | 109.4° |
| H25 | C5 | H26 | 109.5° | 109.6° |
| H28 | C37 | H29 | 109.5° | 109.4° |
| H30 | C38 | H31 | 109.4° | 109.4° |
| H30 | C38 | H32 | 109.5° | 109.5° |
| H31 | C38 | H32 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | O6 | H1 | 120.5° | 120.2° |
| C2 | C1 | O6 | H2 | 120.5° | 120.2° |
| C1 | C2 | C3 | H3 | 180.0° | 180.0° |
| C2 | C1 | O6 | C5 | 51.6° | 50.4° |
| C1 | C2 | C3 | C7 | 177.6° | 179.7° |
| C1 | C2 | C3 | C4 | 2.8° | 0.4° |
| C2 | C1 | H1 | H2 | 118.4° | 119.6° |
| O6 | C1 | C2 | C3 | 20.5° | 15.6° |
| C1 | O6 | C5 | C4 | 64.6° | 68.7° |
| O6 | C1 | H1 | H2 | 118.4° | 119.7° |
| O6 | C1 | C2 | H3 | 159.5° | 164.4° |
| C1 | O6 | C5 | H25 | 55.6° | 171.6° |
| C1 | O6 | C5 | H26 | 175.1° | 51.1° |
| C2 | C3 | C7 | N15 | 9.7° | 0.0° |
| C2 | C3 | C7 | C4 | 179.6° | 179.9° |
| C2 | C3 | C7 | N14 | 167.5° | 179.9° |
| C2 | C3 | C4 | C5 | 13.9° | 16.7° |
| C3 | C2 | C1 | H1 | 100.0° | 104.6° |
| C3 | C2 | C1 | H2 | 141.0° | 135.9° |
| C2 | C3 | C4 | H23 | 106.2° | 103.4° |
| C2 | C3 | C4 | H24 | 134.0° | 136.7° |
| N10 | C37 | C35 | H28 | 120.0° | 120.0° |
| N10 | C37 | C35 | H29 | 120.0° | 120.1° |
| C37 | N10 | C9 | N15 | 4.4° | 0.4° |
| C37 | N10 | C9 | C11 | 173.8° | 179.4° |
| C37 | N10 | C11 | C16 | 8.4° | 0.3° |
| N10 | C37 | C35 | N34 | 175.1° | 180.0° |
| C37 | N10 | C9 | N8 | 172.6° | 180.0° |
| C37 | N10 | C11 | C12 | 172.5° | 180.0° |
| N10 | C37 | C35 | O36 | 1.1° | 0.1° |
| N10 | C37 | H28 | H29 | 120.1° | 120.0° |
| C35 | C37 | N10 | C9 | 75.6° | 90.0° |
| C35 | C37 | N10 | C11 | 97.9° | 89.4° |
| C37 | C35 | N34 | O36 | 176.2° | 179.9° |
| C37 | C35 | N34 | C29 | 175.1° | 175.1° |
| C37 | C35 | N34 | H27 | 4.8° | 4.8° |
| C35 | C37 | H28 | H29 | 120.1° | 120.0° |
| O6 | C5 | C4 | C3 | 43.5° | 48.1° |
| O6 | C5 | C4 | H25 | 120.3° | 119.7° |
| O6 | C5 | C4 | H26 | 120.3° | 120.0° |
| C5 | O6 | C1 | H1 | 68.9° | 69.8° |
| C5 | O6 | C1 | H2 | 172.1° | 170.6° |
| O6 | C5 | C4 | H23 | 76.6° | 71.9° |
| O6 | C5 | C4 | H24 | 163.6° | 168.1° |
| O6 | C5 | H25 | H26 | 119.1° | 120.7° |
| N15 | C9 | N10 | N8 | 177.1° | 179.6° |
| N15 | C9 | N10 | C11 | 178.2° | 179.8° |
| C9 | N15 | C7 | C3 | 174.4° | 180.0° |
| C9 | N15 | C7 | N14 | 3.0° | 0.1° |
| N15 | C9 | N8 | N14 | 2.6° | 0.0° |
| N15 | C9 | N8 | C13 | 178.0° | 180.0° |
| C7 | N15 | C9 | N10 | 179.5° | 179.7° |
| N15 | C7 | C3 | N14 | 177.2° | 179.9° |
| N15 | C7 | C3 | C4 | 170.7° | 179.9° |
| C7 | N15 | C9 | N8 | 3.2° | 0.1° |
| N15 | C7 | N14 | N8 | 1.5° | 0.0° |
| C9 | N10 | C11 | C16 | 178.0° | 179.7° |
| C9 | N10 | C11 | C12 | 1.1° | 0.5° |
| N10 | C9 | N8 | N14 | 179.9° | 179.7° |
| N10 | C9 | N8 | C13 | 0.5° | 0.3° |
| C9 | N10 | C37 | H28 | 164.4° | 150.0° |
| C9 | N10 | C37 | H29 | 44.3° | 30.0° |
| N10 | C11 | C16 | C12 | 179.1° | 179.7° |
| N10 | C11 | C16 | C48 | 91.4° | 83.3° |
| C11 | N10 | C9 | N8 | 1.2° | 0.6° |
| N10 | C11 | C12 | C13 | 0.3° | 0.2° |
| N10 | C11 | C12 | N17 | 179.2° | 179.7° |
| N10 | C11 | C16 | H10 | 148.2° | 156.6° |
| N10 | C11 | C16 | H11 | 29.0° | 36.7° |
| C11 | N10 | C37 | H28 | 22.1° | 30.6° |
| C11 | N10 | C37 | H29 | 142.1° | 150.5° |
| C7 | C3 | C4 | C5 | 166.5° | 163.4° |
| C3 | C7 | N14 | N8 | 175.9° | 179.9° |
| C7 | C3 | C2 | H3 | 2.4° | 0.3° |
| C7 | C3 | C4 | H23 | 73.4° | 76.6° |
| C7 | C3 | C4 | H24 | 46.3° | 43.4° |
| C4 | C3 | C7 | N14 | 12.1° | 0.0° |
| C3 | C4 | C5 | H23 | 120.1° | 120.1° |
| C3 | C4 | C5 | H24 | 120.1° | 119.9° |
| C4 | C3 | C2 | H3 | 177.2° | 179.6° |
| C3 | C4 | H23 | H24 | 119.6° | 119.9° |
| C3 | C4 | C5 | H25 | 76.8° | 167.8° |
| C3 | C4 | C5 | H26 | 163.8° | 71.8° |
| C11 | C16 | C48 | H10 | 120.4° | 120.0° |
| C11 | C16 | C48 | H11 | 120.4° | 120.0° |
| C16 | C11 | C12 | C13 | 178.8° | 180.0° |
| C16 | C11 | C12 | N17 | 0.1° | 0.0° |
| C11 | C16 | C48 | H7 | 180.0° | 180.0° |
| C11 | C16 | C48 | H8 | 60.0° | 60.0° |
| C11 | C16 | C48 | H9 | 60.0° | 60.0° |
| C11 | C16 | H10 | H11 | 118.7° | 120.0° |
| C48 | C16 | C11 | C12 | 89.5° | 96.4° |
| C16 | C48 | H7 | H8 | 120.0° | 120.0° |
| C16 | C48 | H7 | H9 | 120.0° | 120.0° |
| C16 | C48 | H8 | H9 | 120.0° | 120.0° |
| C48 | C16 | H10 | H11 | 118.8° | 120.0° |
| C35 | N34 | C29 | H27 | 180.0° | 180.0° |
| C35 | N34 | C29 | C28 | 121.8° | 33.6° |
| C35 | N34 | C29 | C24 | 57.5° | 145.9° |
| N34 | C35 | C37 | H28 | 55.2° | 60.0° |
| N34 | C35 | C37 | H29 | 64.9° | 59.9° |
| N34 | C29 | C28 | C24 | 179.4° | 179.5° |
| N34 | C29 | C28 | C27 | 179.4° | 180.0° |
| C29 | N34 | C35 | O36 | 8.7° | 4.9° |
| N34 | C29 | C24 | C38 | 5.0° | 0.3° |
| N34 | C29 | C24 | C25 | 179.1° | 180.0° |
| N34 | C29 | C28 | H22 | 0.6° | 0.5° |
| C9 | N8 | N14 | C7 | 0.7° | 0.0° |
| C9 | N8 | N14 | C13 | 179.4° | 180.0° |
| C9 | N8 | C13 | C12 | 0.3° | 0.0° |
| C9 | N8 | C13 | O18 | 179.8° | 180.0° |
| C7 | N14 | N8 | C13 | 180.0° | 180.0° |
| C11 | C12 | N17 | C23 | 98.3° | 67.1° |
| C11 | C12 | C13 | N8 | 0.3° | 0.1° |
| C11 | C12 | C13 | N17 | 179.0° | 179.9° |
| C11 | C12 | C13 | O18 | 179.8° | 180.0° |
| C11 | C12 | N17 | C19 | 101.6° | 112.8° |
| C12 | C11 | C16 | H10 | 30.9° | 23.7° |
| C12 | C11 | C16 | H11 | 150.1° | 143.6° |
| C29 | C28 | C27 | H22 | 180.0° | 179.5° |
| C29 | C28 | C27 | C26 | 0.3° | 0.2° |
| C28 | C29 | C24 | C38 | 175.6° | 179.8° |
| C28 | C29 | C24 | C25 | 0.3° | 0.5° |
| C29 | C28 | C27 | H21 | 179.7° | 179.8° |
| C28 | C29 | N34 | H27 | 58.1° | 146.5° |
| C27 | C28 | C29 | C24 | 0.0° | 0.5° |
| C28 | C27 | C26 | H21 | 180.0° | 180.0° |
| C28 | C27 | C26 | C25 | 0.3° | 0.0° |
| C28 | C27 | C26 | C30 | 178.7° | 180.0° |
| O36 | C35 | N34 | H27 | 171.3° | 175.1° |
| O36 | C35 | C37 | H28 | 121.1° | 120.0° |
| O36 | C35 | C37 | H29 | 118.8° | 120.0° |
| C22 | C23 | N17 | H18 | 120.2° | 119.7° |
| C22 | C23 | N17 | H19 | 120.3° | 119.8° |
| C23 | C22 | N21 | H16 | 120.1° | 119.7° |
| C23 | C22 | N21 | H17 | 120.1° | 120.0° |
| C22 | C23 | N17 | C12 | 151.8° | 124.8° |
| C22 | C23 | N17 | C19 | 47.4° | 55.3° |
| C23 | C22 | N21 | C39 | 121.6° | 124.8° |
| C23 | C22 | N21 | C20 | 59.4° | 55.2° |
| C23 | C22 | H16 | H17 | 119.7° | 120.5° |
| C22 | C23 | H18 | H19 | 119.3° | 120.4° |
| N17 | C23 | C22 | N21 | 50.9° | 49.5° |
| C23 | N17 | C12 | C13 | 80.7° | 113.0° |
| C23 | N17 | C12 | C19 | 160.2° | 179.9° |
| C23 | N17 | C19 | C20 | 47.8° | 55.3° |
| C23 | N17 | C19 | H12 | 168.1° | 64.4° |
| C23 | N17 | C19 | H13 | 72.4° | 175.1° |
| N17 | C23 | C22 | H16 | 171.0° | 169.2° |
| N17 | C23 | C22 | H17 | 69.2° | 70.4° |
| N17 | C23 | H18 | H19 | 119.3° | 120.5° |
| C5 | C4 | H23 | H24 | 119.7° | 120.0° |
| C4 | C5 | H25 | H26 | 119.1° | 120.4° |
| C44 | C43 | N42 | H4 | 180.0° | 179.7° |
| C43 | C44 | C45 | H5 | 180.0° | 179.6° |
| C44 | C43 | N42 | C41 | 0.3° | 0.0° |
| C43 | C44 | C45 | C46 | 0.3° | 0.6° |
| C43 | C44 | C45 | H6 | 179.7° | 180.0° |
| N42 | C43 | C44 | C45 | 0.3° | 0.3° |
| C43 | N42 | C41 | C46 | 0.1° | 0.0° |
| C43 | N42 | C41 | C39 | 174.6° | 179.7° |
| N42 | C43 | C44 | H5 | 179.7° | 179.9° |
| N14 | N8 | C13 | C12 | 179.0° | 179.9° |
| N14 | N8 | C13 | O18 | 0.9° | 0.0° |
| N8 | C13 | C12 | O18 | 179.9° | 179.9° |
| N8 | C13 | C12 | N17 | 178.7° | 180.0° |
| C44 | C45 | C46 | H6 | 180.0° | 179.3° |
| C44 | C45 | C46 | C41 | 0.1° | 0.6° |
| C44 | C45 | C46 | O47 | 178.6° | 179.4° |
| C45 | C44 | C43 | H4 | 179.6° | 180.0° |
| C22 | N21 | C39 | C41 | 13.7° | 11.1° |
| C22 | N21 | C39 | C20 | 178.9° | 180.0° |
| C22 | N21 | C20 | C19 | 59.8° | 55.2° |
| C22 | N21 | C39 | O40 | 167.9° | 168.9° |
| C22 | N21 | C20 | H14 | 179.9° | 64.5° |
| C22 | N21 | C20 | H15 | 60.4° | 175.1° |
| N21 | C22 | H16 | H17 | 119.7° | 120.3° |
| N21 | C22 | C23 | H18 | 171.1° | 169.2° |
| N21 | C22 | C23 | H19 | 69.4° | 70.3° |
| C29 | C24 | C38 | C25 | 175.9° | 179.7° |
| C29 | C24 | C25 | C26 | 0.4° | 0.3° |
| C29 | C24 | C25 | H20 | 179.7° | 179.7° |
| C24 | C29 | C28 | H22 | 180.0° | 180.0° |
| C24 | C29 | N34 | H27 | 122.5° | 34.0° |
| C29 | C24 | C38 | H30 | 87.8° | 90.3° |
| C29 | C24 | C38 | H31 | 152.2° | 29.6° |
| C29 | C24 | C38 | H32 | 32.2° | 149.7° |
| C13 | C12 | N17 | C19 | 79.5° | 67.1° |
| N17 | C12 | C13 | O18 | 1.3° | 0.1° |
| C12 | N17 | C19 | C20 | 151.5° | 124.8° |
| C12 | N17 | C19 | H12 | 31.3° | 115.5° |
| C12 | N17 | C19 | H13 | 88.2° | 5.0° |
| C12 | N17 | C23 | H18 | 31.6° | 5.1° |
| C12 | N17 | C23 | H19 | 87.9° | 115.4° |
| C27 | C26 | C25 | C24 | 0.1° | 0.0° |
| C27 | C26 | C25 | C30 | 179.0° | 180.0° |
| C27 | C26 | C30 | F33 | 72.1° | 150.0° |
| C27 | C26 | C30 | F31 | 48.5° | 90.0° |
| C27 | C26 | C30 | F32 | 165.5° | 30.0° |
| C27 | C26 | C25 | H20 | 179.9° | 180.0° |
| C26 | C27 | C28 | H22 | 179.7° | 179.7° |
| N42 | C41 | C46 | C45 | 0.1° | 0.3° |
| N42 | C41 | C46 | C39 | 174.7° | 179.7° |
| N42 | C41 | C46 | O47 | 178.5° | 179.7° |
| N42 | C41 | C39 | N21 | 61.7° | 7.1° |
| N42 | C41 | C39 | O40 | 116.7° | 172.9° |
| C41 | N42 | C43 | H4 | 179.7° | 179.7° |
| N17 | C19 | C20 | N21 | 51.7° | 49.4° |
| N17 | C19 | C20 | H12 | 120.3° | 119.8° |
| N17 | C19 | C20 | H13 | 120.2° | 119.9° |
| N17 | C19 | H12 | H13 | 119.3° | 120.6° |
| N17 | C19 | C20 | H14 | 171.8° | 70.3° |
| N17 | C19 | C20 | H15 | 68.4° | 169.4° |
| C19 | N17 | C23 | H18 | 167.6° | 175.0° |
| C19 | N17 | C23 | H19 | 72.9° | 64.5° |
| C45 | C46 | C41 | O47 | 178.4° | 179.9° |
| C45 | C46 | C41 | C39 | 174.6° | 180.0° |
| C46 | C45 | C44 | H5 | 179.7° | 179.7° |
| C45 | C46 | O47 | H33 | 157.3° | 90.0° |
| C46 | C41 | C39 | N21 | 123.4° | 173.2° |
| C46 | C41 | C39 | O40 | 58.2° | 6.8° |
| C41 | C46 | C45 | H6 | 179.9° | 180.0° |
| C41 | C46 | O47 | H33 | 21.2° | 90.0° |
| C39 | C41 | C46 | O47 | 3.8° | 0.0° |
| C41 | C39 | N21 | O40 | 178.3° | 180.0° |
| C41 | C39 | N21 | C20 | 165.2° | 168.9° |
| C38 | C24 | C25 | C26 | 175.7° | 180.0° |
| C38 | C24 | C25 | H20 | 4.2° | 0.0° |
| C24 | C38 | H30 | H31 | 120.0° | 119.9° |
| C24 | C38 | H30 | H32 | 120.0° | 120.0° |
| C24 | C38 | H31 | H32 | 120.0° | 120.0° |
| C24 | C25 | C26 | H20 | 180.0° | 180.0° |
| C24 | C25 | C26 | C30 | 179.1° | 180.0° |
| C25 | C24 | C38 | H30 | 88.1° | 90.1° |
| C25 | C24 | C38 | H31 | 31.9° | 150.0° |
| C25 | C24 | C38 | H32 | 151.9° | 30.0° |
| O47 | C46 | C45 | H6 | 1.4° | 0.1° |
| C39 | N21 | C20 | C19 | 121.2° | 124.8° |
| C39 | N21 | C20 | H14 | 1.1° | 115.5° |
| C39 | N21 | C20 | H15 | 118.7° | 5.0° |
| C39 | N21 | C22 | H16 | 1.5° | 5.1° |
| C39 | N21 | C22 | H17 | 118.3° | 115.3° |
| N21 | C20 | C19 | H14 | 120.1° | 119.7° |
| N21 | C20 | C19 | H15 | 120.1° | 120.0° |
| C20 | N21 | C39 | O40 | 13.1° | 11.1° |
| N21 | C20 | C19 | H12 | 171.9° | 70.4° |
| N21 | C20 | C19 | H13 | 68.6° | 169.3° |
| N21 | C20 | H14 | H15 | 119.7° | 120.5° |
| C20 | N21 | C22 | H16 | 179.5° | 175.0° |
| C20 | N21 | C22 | H17 | 60.7° | 64.7° |
| C25 | C26 | C30 | F33 | 108.9° | 30.0° |
| C25 | C26 | C30 | F31 | 130.5° | 90.0° |
| C25 | C26 | C30 | F32 | 13.5° | 150.0° |
| C25 | C26 | C27 | H21 | 179.7° | 180.0° |
| C26 | C30 | F33 | F31 | 123.8° | 120.0° |
| C26 | C30 | F33 | F32 | 126.1° | 120.0° |
| C26 | C30 | F31 | F32 | 123.4° | 120.0° |
| C30 | C26 | C25 | H20 | 0.9° | 0.0° |
| C30 | C26 | C27 | H21 | 1.3° | 0.0° |
| F33 | C30 | F31 | F32 | 113.0° | 120.0° |
| C20 | C19 | H12 | H13 | 119.3° | 120.3° |
| C19 | C20 | H14 | H15 | 119.7° | 120.4° |
| H1 | C1 | C2 | H3 | 80.0° | 75.4° |
| H2 | C1 | C2 | H3 | 39.0° | 44.1° |
| H4 | C43 | C44 | H5 | 0.4° | 0.4° |
| H5 | C44 | C45 | H6 | 0.3° | 0.4° |
| H7 | C48 | H8 | H9 | 119.9° | 120.0° |
| H7 | C48 | C16 | H10 | 59.6° | 60.0° |
| H7 | C48 | C16 | H11 | 59.6° | 59.9° |
| H8 | C48 | C16 | H10 | 179.6° | 60.0° |
| H8 | C48 | C16 | H11 | 60.4° | 180.0° |
| H9 | C48 | C16 | H10 | 60.4° | 179.9° |
| H9 | C48 | C16 | H11 | 179.6° | 60.0° |
| H12 | C19 | C20 | H14 | 68.0° | 170.0° |
| H12 | C19 | C20 | H15 | 51.8° | 49.6° |
| H13 | C19 | C20 | H14 | 51.5° | 49.7° |
| H13 | C19 | C20 | H15 | 171.3° | 70.7° |
| H16 | C22 | C23 | H18 | 68.7° | 71.1° |
| H16 | C22 | C23 | H19 | 50.8° | 49.4° |
| H17 | C22 | C23 | H18 | 51.0° | 49.3° |
| H17 | C22 | C23 | H19 | 170.5° | 169.8° |
| H21 | C27 | C28 | H22 | 0.3° | 0.3° |
| H23 | C4 | C5 | H25 | 163.1° | 47.8° |
| H23 | C4 | C5 | H26 | 43.7° | 168.1° |
| H24 | C4 | C5 | H25 | 43.4° | 72.2° |
| H24 | C4 | C5 | H26 | 76.1° | 48.1° |
| H30 | C38 | H31 | H32 | 120.0° | 120.1° |
