Q0F
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C37 | O15 | sing | 1.43Å | 1.43Å | |
| O15 | C13 | sing | 1.43Å | 1.44Å | |
| C45 | C44 | doub | 1.31Å | 1.33Å | |
| C12 | C13 | sing | 1.51Å | 1.51Å | |
| C12 | C11 | doub | 1.34Å | 1.34Å | |
| C10 | C11 | sing | 1.46Å | 1.47Å | |
| C10 | C8 | doub | 1.33Å | 1.34Å | |
| C7 | C8 | sing | 1.50Å | 1.51Å | |
| C7 | C3 | sing | 1.50Å | 1.51Å | |
| C13 | C14 | sing | 1.53Å | 1.56Å | |
| C44 | C43 | sing | 1.51Å | 1.50Å | |
| C8 | C9 | sing | 1.50Å | 1.51Å | |
| O42 | C14 | sing | 1.43Å | 1.43Å | |
| C43 | C40 | sing | 1.53Å | 1.53Å | |
| C14 | N16 | sing | 1.47Å | 1.46Å | |
| C14 | C20 | sing | 1.53Å | 1.54Å | |
| C3 | C2 | doub | 1.39Å | 1.39Å | Aromatic |
| C3 | C4 | sing | 1.38Å | 1.39Å | Aromatic |
| N16 | C17 | sing | 1.34Å | 1.31Å | |
| C2 | C1 | sing | 1.38Å | 1.40Å | Aromatic |
| C4 | C5 | doub | 1.38Å | 1.39Å | Aromatic |
| C40 | C39 | sing | 1.51Å | 1.50Å | |
| C17 | O21 | doub | 1.21Å | 1.29Å | |
| C17 | O18 | sing | 1.33Å | 1.38Å | |
| C20 | C19 | sing | 1.52Å | 1.54Å | |
| C39 | O30 | sing | 1.34Å | 1.35Å | |
| C39 | O41 | doub | 1.21Å | 1.23Å | |
| C1 | O34 | sing | 1.36Å | 1.38Å | |
| C1 | C6 | doub | 1.39Å | 1.40Å | Aromatic |
| C36 | O34 | sing | 1.43Å | 1.43Å | |
| O30 | C26 | sing | 1.45Å | 1.43Å | |
| C5 | C6 | sing | 1.39Å | 1.41Å | Aromatic |
| C5 | N31 | sing | 1.41Å | 1.45Å | |
| C35 | N31 | sing | 1.46Å | 1.48Å | |
| C19 | O18 | sing | 1.45Å | 1.43Å | |
| C19 | C22 | sing | 1.51Å | 1.55Å | |
| C6 | CL33 | sing | 1.74Å | 1.76Å | |
| N31 | C28 | sing | 1.38Å | 1.42Å | |
| C38 | C25 | sing | 1.53Å | 1.54Å | |
| C26 | C25 | sing | 1.53Å | 1.54Å | |
| C26 | C27 | sing | 1.52Å | 1.55Å | |
| C28 | C27 | sing | 1.51Å | 1.51Å | |
| C28 | O32 | doub | 1.21Å | 1.24Å | |
| C25 | C23 | sing | 1.52Å | 1.47Å | |
| C25 | O29 | sing | 1.44Å | 1.43Å | |
| C22 | C23 | sing | 1.52Å | 1.54Å | |
| C22 | C24 | sing | 1.52Å | 1.54Å | |
| C23 | O29 | sing | 1.43Å | 1.40Å | |
| C4 | H1 | sing | 1.08Å | 1.08Å | |
| C11 | H2 | sing | 1.08Å | 1.08Å | |
| C7 | H3 | sing | 1.09Å | 1.10Å | |
| C7 | H4 | sing | 1.09Å | 1.10Å | |
| C9 | H5 | sing | 1.09Å | 1.10Å | |
| C9 | H6 | sing | 1.09Å | 1.10Å | |
| C9 | H7 | sing | 1.09Å | 1.10Å | |
| C10 | H8 | sing | 1.09Å | 1.08Å | |
| C12 | H9 | sing | 1.08Å | 1.08Å | |
| C13 | H10 | sing | 1.09Å | 1.10Å | |
| C19 | H11 | sing | 1.10Å | 1.10Å | |
| C2 | H12 | sing | 1.08Å | 1.08Å | |
| C20 | H13 | sing | 1.08Å | 1.10Å | |
| C20 | H14 | sing | 1.12Å | 1.10Å | |
| C22 | H15 | sing | 1.11Å | 1.10Å | |
| C23 | H16 | sing | 1.11Å | 1.10Å | |
| C24 | H17 | sing | 1.09Å | 1.10Å | |
| C24 | H18 | sing | 1.09Å | 1.10Å | |
| C24 | H19 | sing | 1.09Å | 1.10Å | |
| C26 | H20 | sing | 1.10Å | 1.10Å | |
| C27 | H21 | sing | 1.09Å | 1.10Å | |
| C27 | H22 | sing | 1.10Å | 1.10Å | |
| C35 | H23 | sing | 1.09Å | 1.10Å | |
| C35 | H24 | sing | 1.09Å | 1.10Å | |
| C35 | H25 | sing | 1.09Å | 1.10Å | |
| C36 | H26 | sing | 1.09Å | 1.10Å | |
| C36 | H27 | sing | 1.09Å | 1.10Å | |
| C36 | H28 | sing | 1.09Å | 1.10Å | |
| C37 | H29 | sing | 1.09Å | 1.10Å | |
| C37 | H30 | sing | 1.09Å | 1.10Å | |
| C37 | H31 | sing | 1.09Å | 1.10Å | |
| C38 | H32 | sing | 1.09Å | 1.10Å | |
| C38 | H33 | sing | 1.09Å | 1.10Å | |
| C38 | H34 | sing | 1.09Å | 1.10Å | |
| C40 | H35 | sing | 1.09Å | 1.10Å | |
| C40 | H36 | sing | 1.09Å | 1.10Å | |
| C43 | H37 | sing | 1.09Å | 1.10Å | |
| C43 | H38 | sing | 1.09Å | 1.10Å | |
| C44 | H39 | sing | 1.08Å | 1.08Å | |
| C45 | H40 | sing | 1.08Å | 1.08Å | |
| C45 | H41 | sing | 1.08Å | 1.08Å | |
| N16 | H42 | sing | 0.96Å | 1.00Å | |
| O42 | H43 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C37 | O15 | C13 | 113.9° | 114.0° |
| O15 | C37 | H29 | 109.5° | 109.4° |
| O15 | C37 | H30 | 109.5° | 109.5° |
| O15 | C37 | H31 | 109.4° | 109.5° |
| O15 | C13 | C12 | 110.9° | 109.6° |
| O15 | C13 | C14 | 111.2° | 109.5° |
| O15 | C13 | H10 | 108.0° | 109.6° |
| C45 | C44 | C43 | 122.5° | 120.0° |
| C45 | C44 | H39 | 118.7° | 120.0° |
| C44 | C45 | H40 | 120.0° | 120.0° |
| C44 | C45 | H41 | 120.0° | 120.0° |
| C13 | C12 | C11 | 122.7° | 120.8° |
| C12 | C13 | C14 | 112.6° | 109.3° |
| C13 | C12 | H9 | 118.6° | 119.2° |
| C12 | C13 | H10 | 107.1° | 109.5° |
| C12 | C11 | C10 | 122.4° | 118.5° |
| C12 | C11 | H2 | 118.8° | 119.5° |
| C11 | C12 | H9 | 118.7° | 120.0° |
| C11 | C10 | C8 | 123.3° | 123.8° |
| C10 | C11 | H2 | 118.8° | 122.0° |
| C11 | C10 | H8 | 118.3° | 118.3° |
| C10 | C8 | C7 | 121.6° | 118.4° |
| C10 | C8 | C9 | 122.0° | 121.2° |
| C8 | C10 | H8 | 118.3° | 118.0° |
| C8 | C7 | C3 | 109.4° | 112.5° |
| C7 | C8 | C9 | 116.4° | 120.4° |
| C8 | C7 | H3 | 109.5° | 108.7° |
| C8 | C7 | H4 | 109.5° | 108.9° |
| C7 | C3 | C2 | 120.8° | 118.3° |
| C7 | C3 | C4 | 120.0° | 122.4° |
| C3 | C7 | H3 | 109.5° | 109.0° |
| C3 | C7 | H4 | 109.5° | 109.0° |
| C13 | C14 | O42 | 110.2° | 108.9° |
| C13 | C14 | N16 | 107.1° | 111.1° |
| C13 | C14 | C20 | 111.7° | 109.7° |
| C14 | C13 | H10 | 106.6° | 109.3° |
| C44 | C43 | C40 | 109.6° | 109.4° |
| C44 | C43 | H37 | 109.4° | 109.5° |
| C44 | C43 | H38 | 109.4° | 109.4° |
| C43 | C44 | H39 | 118.7° | 120.0° |
| C8 | C9 | H5 | 109.5° | 109.5° |
| C8 | C9 | H6 | 109.5° | 109.5° |
| C8 | C9 | H7 | 109.5° | 109.5° |
| O42 | C14 | N16 | 107.2° | 108.3° |
| O42 | C14 | C20 | 108.9° | 110.4° |
| C14 | O42 | H43 | 109.5° | 114.0° |
| C43 | C40 | C39 | 110.6° | 109.5° |
| C43 | C40 | H35 | 109.2° | 109.5° |
| C43 | C40 | H36 | 109.2° | 109.5° |
| C40 | C43 | H37 | 109.4° | 109.4° |
| C40 | C43 | H38 | 109.4° | 109.5° |
| N16 | C14 | C20 | 111.6° | 108.3° |
| C14 | N16 | C17 | 124.8° | 118.4° |
| C14 | N16 | H42 | 117.6° | 120.7° |
| C14 | C20 | C19 | 111.2° | 112.3° |
| C14 | C20 | H13 | 109.0° | 111.7° |
| C14 | C20 | H14 | 109.1° | 106.5° |
| C2 | C3 | C4 | 119.2° | 119.3° |
| C3 | C2 | C1 | 119.8° | 120.2° |
| C3 | C2 | H12 | 120.1° | 119.8° |
| C3 | C4 | C5 | 121.4° | 121.2° |
| C3 | C4 | H1 | 119.3° | 119.4° |
| N16 | C17 | O21 | 125.6° | 117.7° |
| N16 | C17 | O18 | 120.1° | 123.8° |
| C17 | N16 | H42 | 117.6° | 121.0° |
| C2 | C1 | O34 | 120.4° | 120.1° |
| C2 | C1 | C6 | 121.4° | 120.2° |
| C1 | C2 | H12 | 120.1° | 120.0° |
| C4 | C5 | C6 | 119.8° | 119.2° |
| C4 | C5 | N31 | 115.5° | 122.2° |
| C5 | C4 | H1 | 119.3° | 119.3° |
| C40 | C39 | O30 | 116.0° | 120.0° |
| C40 | C39 | O41 | 123.9° | 120.0° |
| C39 | C40 | H35 | 109.2° | 109.4° |
| C39 | C40 | H36 | 109.2° | 109.4° |
| O21 | C17 | O18 | 114.3° | 118.6° |
| C17 | O18 | C19 | 120.2° | 122.7° |
| C20 | C19 | O18 | 110.6° | 111.8° |
| C20 | C19 | C22 | 114.7° | 114.1° |
| C20 | C19 | H11 | 107.2° | 107.1° |
| C19 | C20 | H13 | 109.0° | 114.0° |
| C19 | C20 | H14 | 109.0° | 107.2° |
| O30 | C39 | O41 | 120.0° | 119.9° |
| C39 | O30 | C26 | 114.8° | 117.0° |
| O34 | C1 | C6 | 118.3° | 119.7° |
| C1 | O34 | C36 | 116.1° | 117.0° |
| C1 | C6 | C5 | 118.4° | 119.9° |
| C1 | C6 | CL33 | 119.2° | 119.0° |
| O34 | C36 | H26 | 109.5° | 109.4° |
| O34 | C36 | H27 | 109.5° | 109.5° |
| O34 | C36 | H28 | 109.5° | 109.5° |
| O30 | C26 | C25 | 110.9° | 109.4° |
| O30 | C26 | C27 | 112.3° | 109.2° |
| O30 | C26 | H20 | 107.5° | 107.9° |
| C6 | C5 | N31 | 124.7° | 118.6° |
| C5 | C6 | CL33 | 122.3° | 121.1° |
| C5 | N31 | C35 | 116.2° | 123.7° |
| C5 | N31 | C28 | 125.1° | 115.4° |
| C35 | N31 | C28 | 118.7° | 120.9° |
| N31 | C35 | H23 | 109.5° | 109.5° |
| N31 | C35 | H24 | 109.5° | 109.5° |
| N31 | C35 | H25 | 109.5° | 109.5° |
| O18 | C19 | C22 | 108.4° | 109.2° |
| O18 | C19 | H11 | 108.6° | 105.4° |
| C19 | C22 | C23 | 116.1° | 114.0° |
| C19 | C22 | C24 | 109.8° | 114.5° |
| C22 | C19 | H11 | 107.0° | 108.8° |
| C19 | C22 | H15 | 107.4° | 106.5° |
| N31 | C28 | C27 | 116.5° | 117.9° |
| N31 | C28 | O32 | 121.7° | 120.1° |
| C38 | C25 | C26 | 116.6° | 116.4° |
| C38 | C25 | C23 | 119.9° | 120.9° |
| C38 | C25 | O29 | 117.9° | 115.1° |
| C25 | C38 | H32 | 109.5° | 109.4° |
| C25 | C38 | H33 | 109.5° | 109.4° |
| C25 | C38 | H34 | 109.5° | 109.5° |
| C25 | C26 | C27 | 113.2° | 113.5° |
| C26 | C25 | C23 | 115.7° | 115.9° |
| C26 | C25 | O29 | 116.3° | 118.1° |
| C25 | C26 | H20 | 106.3° | 108.1° |
| C26 | C27 | C28 | 109.4° | 112.8° |
| C27 | C26 | H20 | 106.1° | 108.5° |
| C26 | C27 | H21 | 109.5° | 110.6° |
| C26 | C27 | H22 | 109.5° | 107.2° |
| C27 | C28 | O32 | 121.8° | 122.0° |
| C28 | C27 | H21 | 109.5° | 110.6° |
| C28 | C27 | H22 | 109.5° | 108.3° |
| C23 | C25 | O29 | 57.4° | 57.6° |
| C25 | C23 | C22 | 123.8° | 121.0° |
| C25 | C23 | O29 | 59.8° | 58.2° |
| C25 | C23 | H16 | 115.6° | 116.3° |
| C25 | O29 | C23 | 62.8° | 64.3° |
| C23 | C22 | C24 | 108.1° | 109.1° |
| C22 | C23 | O29 | 115.0° | 121.7° |
| C23 | C22 | H15 | 107.5° | 106.0° |
| C22 | C23 | H16 | 114.4° | 112.9° |
| C24 | C22 | H15 | 107.6° | 106.2° |
| C22 | C24 | H17 | 109.5° | 109.5° |
| C22 | C24 | H18 | 109.5° | 109.5° |
| C22 | C24 | H19 | 109.5° | 109.5° |
| O29 | C23 | H16 | 117.2° | 116.4° |
| H3 | C7 | H4 | 109.5° | 108.7° |
| H5 | C9 | H6 | 109.4° | 109.4° |
| H5 | C9 | H7 | 109.5° | 109.5° |
| H6 | C9 | H7 | 109.5° | 109.5° |
| H13 | C20 | H14 | 109.5° | 104.4° |
| H17 | C24 | H18 | 109.5° | 109.4° |
| H17 | C24 | H19 | 109.5° | 109.5° |
| H18 | C24 | H19 | 109.4° | 109.5° |
| H21 | C27 | H22 | 109.4° | 107.0° |
| H23 | C35 | H24 | 109.4° | 109.5° |
| H23 | C35 | H25 | 109.4° | 109.4° |
| H24 | C35 | H25 | 109.5° | 109.5° |
| H26 | C36 | H27 | 109.4° | 109.5° |
| H26 | C36 | H28 | 109.5° | 109.4° |
| H27 | C36 | H28 | 109.5° | 109.5° |
| H29 | C37 | H30 | 109.5° | 109.4° |
| H29 | C37 | H31 | 109.5° | 109.4° |
| H30 | C37 | H31 | 109.5° | 109.5° |
| H32 | C38 | H33 | 109.5° | 109.5° |
| H32 | C38 | H34 | 109.5° | 109.5° |
| H33 | C38 | H34 | 109.4° | 109.5° |
| H35 | C40 | H36 | 109.5° | 109.5° |
| H37 | C43 | H38 | 109.5° | 109.5° |
| H40 | C45 | H41 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C37 | O15 | C13 | C12 | 30.3° | 90.0° |
| C37 | O15 | C13 | C14 | 95.8° | 150.1° |
| C37 | O15 | C13 | H10 | 147.5° | 30.2° |
| O15 | C37 | H29 | H30 | 120.0° | 120.0° |
| O15 | C37 | H29 | H31 | 120.0° | 120.0° |
| O15 | C37 | H30 | H31 | 120.0° | 120.1° |
| O15 | C13 | C12 | C14 | 125.4° | 120.0° |
| O15 | C13 | C12 | H10 | 117.7° | 120.3° |
| O15 | C13 | C12 | C11 | 119.4° | 53.9° |
| O15 | C13 | C14 | H10 | 117.6° | 120.1° |
| O15 | C13 | C14 | O42 | 64.8° | 40.7° |
| O15 | C13 | C14 | N16 | 51.5° | 78.6° |
| O15 | C13 | C14 | C20 | 174.0° | 161.7° |
| O15 | C13 | C12 | H9 | 60.6° | 126.2° |
| C13 | O15 | C37 | H29 | 180.0° | 60.0° |
| C13 | O15 | C37 | H30 | 60.0° | 60.0° |
| C13 | O15 | C37 | H31 | 60.0° | 180.0° |
| C45 | C44 | C43 | H39 | 180.0° | 180.0° |
| C45 | C44 | C43 | C40 | 119.4° | 125.0° |
| C45 | C44 | C43 | H37 | 0.6° | 5.1° |
| C45 | C44 | C43 | H38 | 120.6° | 115.0° |
| C44 | C45 | H40 | H41 | 180.0° | 179.9° |
| C13 | C12 | C11 | H9 | 180.0° | 179.9° |
| C13 | C12 | C11 | C10 | 179.9° | 178.4° |
| C12 | C13 | C14 | H10 | 117.2° | 119.8° |
| C12 | C13 | C14 | O42 | 60.4° | 79.4° |
| C12 | C13 | C14 | N16 | 176.7° | 161.4° |
| C12 | C13 | C14 | C20 | 60.8° | 41.6° |
| C13 | C12 | C11 | H2 | 0.1° | 0.6° |
| C12 | C11 | C10 | H2 | 180.0° | 179.1° |
| C12 | C11 | C10 | C8 | 179.9° | 171.3° |
| C11 | C12 | C13 | C14 | 115.2° | 66.1° |
| C12 | C11 | C10 | H8 | 0.1° | 8.9° |
| C11 | C12 | C13 | H10 | 1.7° | 174.2° |
| C11 | C10 | C8 | H8 | 180.0° | 179.8° |
| C11 | C10 | C8 | C7 | 179.7° | 179.3° |
| C11 | C10 | C8 | C9 | 0.3° | 0.6° |
| C10 | C11 | C12 | H9 | 0.1° | 1.5° |
| C10 | C8 | C7 | C9 | 179.4° | 179.9° |
| C10 | C8 | C7 | C3 | 111.9° | 121.6° |
| C8 | C10 | C11 | H2 | 0.1° | 7.7° |
| C10 | C8 | C7 | H3 | 8.1° | 117.7° |
| C10 | C8 | C7 | H4 | 128.1° | 0.6° |
| C10 | C8 | C9 | H5 | 180.0° | 90.1° |
| C10 | C8 | C9 | H6 | 60.0° | 29.8° |
| C10 | C8 | C9 | H7 | 60.0° | 149.9° |
| C8 | C7 | C3 | H3 | 120.0° | 120.6° |
| C8 | C7 | C3 | H4 | 120.0° | 121.0° |
| C8 | C7 | C3 | C2 | 106.7° | 126.5° |
| C8 | C7 | C3 | C4 | 72.9° | 53.7° |
| C8 | C7 | H3 | H4 | 120.0° | 118.4° |
| C7 | C8 | C9 | H5 | 0.6° | 90.0° |
| C7 | C8 | C9 | H6 | 120.6° | 150.0° |
| C7 | C8 | C9 | H7 | 119.4° | 30.0° |
| C7 | C8 | C10 | H8 | 0.3° | 0.5° |
| C3 | C7 | C8 | C9 | 67.5° | 58.6° |
| C7 | C3 | C2 | C4 | 179.6° | 179.8° |
| C7 | C3 | C2 | C1 | 179.7° | 179.7° |
| C7 | C3 | C4 | C5 | 179.6° | 178.0° |
| C7 | C3 | C4 | H1 | 0.4° | 1.0° |
| C3 | C7 | H3 | H4 | 120.1° | 118.6° |
| C7 | C3 | C2 | H12 | 0.3° | 0.1° |
| C13 | C14 | O42 | N16 | 116.3° | 121.0° |
| C13 | C14 | O42 | C20 | 122.9° | 120.6° |
| C13 | C14 | N16 | C20 | 122.6° | 120.6° |
| C13 | C14 | N16 | C17 | 99.7° | 160.8° |
| C13 | C14 | C20 | C19 | 80.3° | 175.9° |
| C14 | C13 | C12 | H9 | 64.8° | 113.8° |
| C13 | C14 | C20 | H13 | 159.5° | 54.6° |
| C13 | C14 | C20 | H14 | 40.0° | 58.8° |
| C13 | C14 | N16 | H42 | 80.3° | 19.4° |
| C13 | C14 | O42 | H43 | 180.0° | 60.9° |
| C44 | C43 | C40 | H37 | 120.0° | 120.0° |
| C44 | C43 | C40 | H38 | 120.0° | 119.9° |
| C44 | C43 | C40 | C39 | 43.5° | 180.0° |
| C44 | C43 | C40 | H35 | 76.6° | 60.0° |
| C44 | C43 | C40 | H36 | 163.7° | 60.1° |
| C44 | C43 | H37 | H38 | 119.9° | 120.0° |
| C43 | C44 | C45 | H40 | 180.0° | 0.1° |
| C43 | C44 | C45 | H41 | 0.0° | 180.0° |
| C9 | C8 | C7 | H3 | 172.5° | 62.2° |
| C9 | C8 | C7 | H4 | 52.5° | 179.6° |
| C8 | C9 | H5 | H6 | 120.0° | 120.0° |
| C8 | C9 | H5 | H7 | 120.0° | 120.1° |
| C8 | C9 | H6 | H7 | 120.0° | 120.0° |
| C9 | C8 | C10 | H8 | 179.7° | 179.6° |
| O42 | C14 | N16 | C20 | 119.1° | 119.8° |
| O42 | C14 | N16 | C17 | 142.0° | 79.6° |
| O42 | C14 | C20 | C19 | 157.7° | 64.0° |
| O42 | C14 | C13 | H10 | 177.6° | 160.8° |
| O42 | C14 | C20 | H13 | 37.5° | 65.5° |
| O42 | C14 | C20 | H14 | 82.0° | 178.9° |
| O42 | C14 | N16 | H42 | 38.0° | 100.2° |
| C43 | C40 | C39 | H35 | 120.2° | 120.0° |
| C43 | C40 | C39 | H36 | 120.2° | 120.0° |
| C43 | C40 | C39 | O30 | 80.1° | 180.0° |
| C43 | C40 | C39 | O41 | 100.1° | 0.0° |
| C43 | C40 | H35 | H36 | 119.5° | 120.1° |
| C40 | C43 | H37 | H38 | 119.9° | 120.0° |
| C40 | C43 | C44 | H39 | 60.6° | 55.0° |
| C14 | N16 | C17 | H42 | 180.0° | 179.8° |
| C14 | N16 | C17 | O21 | 166.1° | 171.8° |
| C14 | N16 | C17 | O18 | 13.9° | 7.5° |
| N16 | C14 | C20 | C19 | 39.7° | 54.5° |
| N16 | C14 | C13 | H10 | 66.1° | 41.5° |
| N16 | C14 | C20 | H13 | 80.6° | 176.0° |
| N16 | C14 | C20 | H14 | 159.9° | 62.6° |
| N16 | C14 | O42 | H43 | 63.7° | 60.0° |
| C20 | C14 | N16 | C17 | 22.9° | 40.2° |
| C14 | C20 | C19 | H13 | 120.2° | 128.3° |
| C14 | C20 | C19 | H14 | 120.3° | 116.7° |
| C14 | C20 | C19 | O18 | 49.4° | 37.3° |
| C14 | C20 | C19 | C22 | 172.4° | 87.2° |
| C20 | C14 | C13 | H10 | 56.4° | 78.2° |
| C14 | C20 | C19 | H11 | 68.8° | 152.4° |
| C14 | C20 | H13 | H14 | 119.3° | 114.7° |
| C20 | C14 | N16 | H42 | 157.1° | 140.0° |
| C20 | C14 | O42 | H43 | 57.1° | 178.5° |
| C3 | C2 | C1 | H12 | 180.0° | 179.8° |
| C2 | C3 | C4 | C5 | 0.0° | 1.8° |
| C3 | C2 | C1 | O34 | 179.8° | 179.5° |
| C3 | C2 | C1 | C6 | 0.1° | 0.5° |
| C2 | C3 | C4 | H1 | 180.0° | 179.1° |
| C2 | C3 | C7 | H3 | 133.4° | 5.9° |
| C2 | C3 | C7 | H4 | 13.3° | 112.6° |
| C4 | C3 | C2 | C1 | 0.1° | 0.1° |
| C3 | C4 | C5 | H1 | 180.0° | 179.0° |
| C3 | C4 | C5 | C6 | 0.0° | 2.9° |
| C3 | C4 | C5 | N31 | 180.0° | 177.1° |
| C4 | C3 | C7 | H3 | 47.1° | 174.3° |
| C4 | C3 | C7 | H4 | 167.1° | 67.3° |
| C4 | C3 | C2 | H12 | 179.9° | 179.9° |
| N16 | C17 | O21 | O18 | 179.9° | 179.4° |
| N16 | C17 | O18 | C19 | 24.4° | 12.8° |
| C2 | C1 | O34 | C6 | 180.0° | 179.9° |
| C2 | C1 | O34 | C36 | 87.3° | 0.1° |
| C2 | C1 | C6 | C5 | 0.1° | 0.6° |
| C2 | C1 | C6 | CL33 | 180.0° | 179.5° |
| C4 | C5 | C6 | C1 | 0.0° | 2.3° |
| C4 | C5 | C6 | N31 | 179.9° | 180.0° |
| C4 | C5 | N31 | C35 | 93.9° | 126.5° |
| C4 | C5 | C6 | CL33 | 179.9° | 177.8° |
| C4 | C5 | N31 | C28 | 86.8° | 54.6° |
| C40 | C39 | O30 | O41 | 179.8° | 180.0° |
| C40 | C39 | O30 | C26 | 121.2° | 180.0° |
| C39 | C40 | H35 | H36 | 119.4° | 120.0° |
| C39 | C40 | C43 | H37 | 163.6° | 60.0° |
| C39 | C40 | C43 | H38 | 76.5° | 60.0° |
| O21 | C17 | O18 | C19 | 155.6° | 167.8° |
| O21 | C17 | N16 | H42 | 13.9° | 8.0° |
| C17 | O18 | C19 | C20 | 42.5° | 3.8° |
| C17 | O18 | C19 | C22 | 169.2° | 123.4° |
| C17 | O18 | C19 | H11 | 74.9° | 119.9° |
| O18 | C17 | N16 | H42 | 166.1° | 172.7° |
| C20 | C19 | O18 | C22 | 126.6° | 127.2° |
| C20 | C19 | O18 | H11 | 117.4° | 116.1° |
| C20 | C19 | C22 | H11 | 118.9° | 119.5° |
| C20 | C19 | C22 | C23 | 17.2° | 130.4° |
| C20 | C19 | C22 | C24 | 105.8° | 3.9° |
| C19 | C20 | H13 | H14 | 119.2° | 116.6° |
| C20 | C19 | C22 | H15 | 137.5° | 113.1° |
| C39 | O30 | C26 | C25 | 114.8° | 150.0° |
| C39 | O30 | C26 | C27 | 117.4° | 85.2° |
| C39 | O30 | C26 | H20 | 1.0° | 32.6° |
| O30 | C39 | C40 | H35 | 159.7° | 60.0° |
| O30 | C39 | C40 | H36 | 40.1° | 60.0° |
| O41 | C39 | O30 | C26 | 58.6° | 0.0° |
| O41 | C39 | C40 | H35 | 20.0° | 120.0° |
| O41 | C39 | C40 | H36 | 139.7° | 120.0° |
| O34 | C1 | C6 | C5 | 179.9° | 179.3° |
| O34 | C1 | C6 | CL33 | 0.0° | 0.5° |
| O34 | C1 | C2 | H12 | 0.1° | 0.6° |
| C1 | O34 | C36 | H26 | 180.0° | 180.0° |
| C1 | O34 | C36 | H27 | 60.0° | 60.0° |
| C1 | O34 | C36 | H28 | 60.0° | 60.1° |
| C6 | C1 | O34 | C36 | 92.7° | 180.0° |
| C1 | C6 | C5 | CL33 | 179.9° | 179.9° |
| C1 | C6 | C5 | N31 | 180.0° | 177.7° |
| C6 | C1 | C2 | H12 | 179.9° | 179.3° |
| O34 | C36 | H26 | H27 | 120.0° | 120.1° |
| O34 | C36 | H26 | H28 | 120.0° | 120.0° |
| O34 | C36 | H27 | H28 | 120.0° | 120.0° |
| O30 | C26 | C25 | C38 | 62.7° | 130.0° |
| O30 | C26 | C25 | C27 | 127.3° | 122.3° |
| O30 | C26 | C25 | H20 | 116.6° | 117.2° |
| O30 | C26 | C27 | H20 | 117.3° | 117.4° |
| O30 | C26 | C27 | C28 | 54.7° | 52.3° |
| O30 | C26 | C25 | C23 | 86.5° | 21.4° |
| O30 | C26 | C25 | O29 | 151.1° | 86.8° |
| O30 | C26 | C27 | H21 | 65.3° | 176.9° |
| O30 | C26 | C27 | H22 | 174.7° | 66.8° |
| C6 | C5 | N31 | C35 | 86.0° | 53.5° |
| C6 | C5 | N31 | C28 | 93.3° | 125.4° |
| C6 | C5 | C4 | H1 | 179.9° | 178.1° |
| C5 | N31 | C35 | C28 | 179.3° | 178.9° |
| N31 | C5 | C6 | CL33 | 0.0° | 2.2° |
| C5 | N31 | C28 | C27 | 0.8° | 171.7° |
| C5 | N31 | C28 | O32 | 179.8° | 9.1° |
| N31 | C5 | C4 | H1 | 0.0° | 1.9° |
| C5 | N31 | C35 | H23 | 180.0° | 90.0° |
| C5 | N31 | C35 | H24 | 60.0° | 150.0° |
| C5 | N31 | C35 | H25 | 60.0° | 30.0° |
| C35 | N31 | C28 | C27 | 180.0° | 9.4° |
| C35 | N31 | C28 | O32 | 0.5° | 169.8° |
| N31 | C35 | H23 | H24 | 120.0° | 120.0° |
| N31 | C35 | H23 | H25 | 120.0° | 120.0° |
| N31 | C35 | H24 | H25 | 120.0° | 120.0° |
| O18 | C19 | C22 | H11 | 117.0° | 114.6° |
| O18 | C19 | C22 | C23 | 141.4° | 103.7° |
| O18 | C19 | C22 | C24 | 18.4° | 129.8° |
| O18 | C19 | C20 | H13 | 70.8° | 165.6° |
| O18 | C19 | C20 | H14 | 169.7° | 79.4° |
| O18 | C19 | C22 | H15 | 98.4° | 12.8° |
| C19 | C22 | C23 | C25 | 79.7° | 65.9° |
| C19 | C22 | C23 | C24 | 123.9° | 129.3° |
| C19 | C22 | C23 | H15 | 120.2° | 116.7° |
| C19 | C22 | C24 | H15 | 116.6° | 117.1° |
| C19 | C22 | C23 | O29 | 148.8° | 3.5° |
| C22 | C19 | C20 | H13 | 52.2° | 41.1° |
| C22 | C19 | C20 | H14 | 67.3° | 156.1° |
| C19 | C22 | C23 | H16 | 71.3° | 149.4° |
| C19 | C22 | C24 | H17 | 180.0° | 51.5° |
| C19 | C22 | C24 | H18 | 60.0° | 171.5° |
| C19 | C22 | C24 | H19 | 60.0° | 68.5° |
| N31 | C28 | C27 | C26 | 118.5° | 176.2° |
| N31 | C28 | C27 | O32 | 179.4° | 179.2° |
| N31 | C28 | C27 | H21 | 1.5° | 59.3° |
| N31 | C28 | C27 | H22 | 121.5° | 57.7° |
| C28 | N31 | C35 | H23 | 0.7° | 91.2° |
| C28 | N31 | C35 | H24 | 120.6° | 28.9° |
| C28 | N31 | C35 | H25 | 119.3° | 148.9° |
| C38 | C25 | C26 | C23 | 149.2° | 151.4° |
| C38 | C25 | C26 | O29 | 146.2° | 143.2° |
| C38 | C25 | C26 | C27 | 64.6° | 7.7° |
| C38 | C25 | C23 | O29 | 105.8° | 101.8° |
| C38 | C25 | C23 | C22 | 4.4° | 8.6° |
| C38 | C25 | C23 | H16 | 146.3° | 152.2° |
| C38 | C25 | C26 | H20 | 179.3° | 112.8° |
| C25 | C38 | H32 | H33 | 120.0° | 120.0° |
| C25 | C38 | H32 | H34 | 120.0° | 120.0° |
| C25 | C38 | H33 | H34 | 120.0° | 120.0° |
| C25 | C26 | C27 | H20 | 116.2° | 120.2° |
| C25 | C26 | C27 | C28 | 178.8° | 70.0° |
| C26 | C25 | C23 | O29 | 106.0° | 108.2° |
| C26 | C25 | C23 | C22 | 152.5° | 141.4° |
| C26 | C25 | C23 | H16 | 1.8° | 2.2° |
| C25 | C26 | C27 | H21 | 61.2° | 54.5° |
| C25 | C26 | C27 | H22 | 58.8° | 170.9° |
| C26 | C25 | C38 | H32 | 180.0° | 150.2° |
| C26 | C25 | C38 | H33 | 60.0° | 30.2° |
| C26 | C25 | C38 | H34 | 60.0° | 89.8° |
| C26 | C27 | C28 | H21 | 120.0° | 124.5° |
| C26 | C27 | C28 | H22 | 120.0° | 118.5° |
| C26 | C27 | C28 | O32 | 61.0° | 3.0° |
| C27 | C26 | C25 | C23 | 146.2° | 143.7° |
| C27 | C26 | C25 | O29 | 81.6° | 150.9° |
| C26 | C27 | H21 | H22 | 120.0° | 116.5° |
| C28 | C27 | C26 | H20 | 62.6° | 169.7° |
| C28 | C27 | H21 | H22 | 120.1° | 117.7° |
| O32 | C28 | C27 | H21 | 179.1° | 121.5° |
| O32 | C28 | C27 | H22 | 59.0° | 121.5° |
| C25 | C23 | C22 | O29 | 69.1° | 69.4° |
| C25 | C23 | C22 | H16 | 151.0° | 144.7° |
| C25 | C23 | C22 | C24 | 156.4° | 63.5° |
| C25 | C23 | O29 | H16 | 105.2° | 106.0° |
| C25 | C23 | C22 | H15 | 40.5° | 177.4° |
| C23 | C25 | C26 | H20 | 30.1° | 95.8° |
| C23 | C25 | C38 | H32 | 32.1° | 60.0° |
| C23 | C25 | C38 | H33 | 152.2° | 180.0° |
| C23 | C25 | C38 | H34 | 87.9° | 60.0° |
| O29 | C25 | C26 | H20 | 34.5° | 30.5° |
| O29 | C25 | C38 | H32 | 34.3° | 5.8° |
| O29 | C25 | C38 | H33 | 85.7° | 114.2° |
| O29 | C25 | C38 | H34 | 154.3° | 125.8° |
| C23 | C22 | C24 | H15 | 115.8° | 113.8° |
| C22 | C23 | O29 | H16 | 138.7° | 144.8° |
| C23 | C22 | C19 | H11 | 101.7° | 10.9° |
| C23 | C22 | C24 | H17 | 52.4° | 77.5° |
| C23 | C22 | C24 | H18 | 172.5° | 42.5° |
| C23 | C22 | C24 | H19 | 67.6° | 162.5° |
| C24 | C22 | C23 | O29 | 87.3° | 132.9° |
| C24 | C22 | C19 | H11 | 135.3° | 115.6° |
| C24 | C22 | C23 | H16 | 52.5° | 81.2° |
| C22 | C24 | H17 | H18 | 120.0° | 120.0° |
| C22 | C24 | H17 | H19 | 120.0° | 120.1° |
| C22 | C24 | H18 | H19 | 120.0° | 120.0° |
| O29 | C23 | C22 | H15 | 28.6° | 113.2° |
| H2 | C11 | C10 | H8 | 179.9° | 172.1° |
| H2 | C11 | C12 | H9 | 179.9° | 179.4° |
| H5 | C9 | H6 | H7 | 120.0° | 120.0° |
| H9 | C12 | C13 | H10 | 178.3° | 5.9° |
| H11 | C19 | C20 | H13 | 170.9° | 79.3° |
| H11 | C19 | C20 | H14 | 51.4° | 35.7° |
| H11 | C19 | C22 | H15 | 18.6° | 127.4° |
| H15 | C22 | C23 | H16 | 168.4° | 32.7° |
| H15 | C22 | C24 | H17 | 63.4° | 168.7° |
| H15 | C22 | C24 | H18 | 56.6° | 71.3° |
| H15 | C22 | C24 | H19 | 176.6° | 48.7° |
| H17 | C24 | H18 | H19 | 120.0° | 120.0° |
| H20 | C26 | C27 | H21 | 177.4° | 65.7° |
| H20 | C26 | C27 | H22 | 57.4° | 50.6° |
| H23 | C35 | H24 | H25 | 119.9° | 119.9° |
| H26 | C36 | H27 | H28 | 120.0° | 120.0° |
| H29 | C37 | H30 | H31 | 120.0° | 119.9° |
| H32 | C38 | H33 | H34 | 120.0° | 120.0° |
| H35 | C40 | C43 | H37 | 43.4° | 179.9° |
| H35 | C40 | C43 | H38 | 163.4° | 59.9° |
| H36 | C40 | C43 | H37 | 76.3° | 60.0° |
| H36 | C40 | C43 | H38 | 43.7° | 180.0° |
| H37 | C43 | C44 | H39 | 179.4° | 174.9° |
| H38 | C43 | C44 | H39 | 59.4° | 65.0° |
| H39 | C44 | C45 | H40 | 0.0° | 179.9° |
| H39 | C44 | C45 | H41 | 180.0° | 0.0° |
