5IJ
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 | 1.43Å | |
| C12 | C13 | sing | 1.50Å | 1.51Å | |
| C12 | C11 | doub | 1.33Å | 1.34Å | |
| C10 | C11 | sing | 1.47Å | 1.47Å | |
| C10 | C8 | doub | 1.32Å | 1.35Å | |
| C13 | C14 | sing | 1.53Å | 1.55Å | |
| C7 | C8 | sing | 1.51Å | 1.51Å | |
| C7 | C3 | sing | 1.50Å | 1.51Å | |
| C8 | C9 | sing | 1.51Å | 1.50Å | |
| O42 | C14 | sing | 1.44Å | 1.43Å | |
| C14 | N16 | sing | 1.47Å | 1.48Å | |
| 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 | 1.38Å | |
| C40 | C39 | sing | 1.51Å | 1.50Å | |
| C2 | C1 | sing | 1.39Å | 1.40Å | Aromatic |
| C4 | C5 | doub | 1.39Å | 1.40Å | Aromatic |
| O21 | C17 | doub | 1.22Å | 1.24Å | |
| C20 | C19 | sing | 1.53Å | 1.54Å | |
| C17 | O18 | sing | 1.34Å | 1.36Å | |
| C36 | O34 | sing | 1.43Å | 1.43Å | |
| C1 | O34 | sing | 1.36Å | 1.38Å | |
| C1 | C6 | doub | 1.39Å | 1.40Å | Aromatic |
| C39 | O30 | sing | 1.34Å | 1.35Å | |
| C39 | O41 | doub | 1.21Å | 1.23Å | |
| O30 | C26 | sing | 1.45Å | 1.43Å | |
| C5 | C6 | sing | 1.39Å | 1.41Å | Aromatic |
| C5 | N31 | sing | 1.42Å | 1.40Å | |
| O18 | C19 | sing | 1.45Å | 1.43Å | |
| C6 | CL33 | sing | 1.74Å | 1.76Å | |
| C35 | N31 | sing | 1.47Å | 1.48Å | |
| C19 | C22 | sing | 1.53Å | 1.55Å | |
| N31 | C28 | sing | 1.37Å | 1.34Å | |
| C38 | C25 | sing | 1.53Å | 1.54Å | |
| C26 | C25 | sing | 1.53Å | 1.54Å | |
| C26 | C27 | sing | 1.53Å | 1.55Å | |
| C28 | C27 | sing | 1.51Å | 1.51Å | |
| C28 | O32 | doub | 1.21Å | 1.23Å | |
| C25 | C23 | sing | 1.52Å | 1.47Å | |
| C25 | O29 | sing | 1.42Å | 1.44Å | |
| C22 | C23 | sing | 1.53Å | 1.54Å | |
| C22 | C24 | sing | 1.53Å | 1.54Å | |
| C23 | O29 | sing | 1.43Å | 1.39Å | |
| 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 | 1.09Å | 1.10Å | |
| C2 | H12 | sing | 1.08Å | 1.08Å | |
| C20 | H13 | sing | 1.09Å | 1.10Å | |
| C20 | H14 | sing | 1.09Å | 1.10Å | |
| C22 | H15 | sing | 1.09Å | 1.10Å | |
| C23 | H16 | sing | 1.09Å | 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 | 1.09Å | 1.10Å | |
| C27 | H21 | sing | 1.09Å | 1.10Å | |
| C27 | H22 | sing | 1.09Å | 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 | |
| C40 | H37 | sing | 1.09Å | 1.10Å | |
| N16 | H38 | sing | 0.97Å | 1.00Å | |
| O42 | H39 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C37 | O15 | C13 | 111.6° | 114.0° |
| O15 | C37 | H29 | 109.5° | 109.4° |
| O15 | C37 | H30 | 109.4° | 109.5° |
| O15 | C37 | H31 | 109.4° | 109.5° |
| O15 | C13 | C12 | 109.9° | 109.1° |
| O15 | C13 | C14 | 111.2° | 109.1° |
| O15 | C13 | H10 | 108.8° | 109.1° |
| C13 | C12 | C11 | 122.2° | 121.4° |
| C12 | C13 | C14 | 111.6° | 111.2° |
| C13 | C12 | H9 | 118.9° | 119.5° |
| C12 | C13 | H10 | 107.8° | 109.2° |
| C12 | C11 | C10 | 122.7° | 119.2° |
| C12 | C11 | H2 | 118.6° | 120.1° |
| C11 | C12 | H9 | 118.9° | 119.1° |
| C11 | C10 | C8 | 123.1° | 122.6° |
| C10 | C11 | H2 | 118.7° | 120.6° |
| C11 | C10 | H8 | 118.5° | 118.6° |
| C10 | C8 | C7 | 122.0° | 119.4° |
| C10 | C8 | C9 | 122.0° | 120.5° |
| C8 | C10 | H8 | 118.5° | 118.8° |
| C13 | C14 | O42 | 110.3° | 109.1° |
| C13 | C14 | N16 | 108.2° | 109.4° |
| C13 | C14 | C20 | 110.9° | 110.2° |
| C14 | C13 | H10 | 107.4° | 109.1° |
| C8 | C7 | C3 | 109.7° | 111.3° |
| C7 | C8 | C9 | 115.9° | 120.1° |
| C8 | C7 | H3 | 109.4° | 109.2° |
| C8 | C7 | H4 | 109.4° | 109.1° |
| C7 | C3 | C2 | 121.0° | 119.3° |
| C7 | C3 | C4 | 120.1° | 120.8° |
| C3 | C7 | H3 | 109.4° | 109.1° |
| C3 | C7 | H4 | 109.4° | 109.1° |
| C8 | C9 | H5 | 109.5° | 109.4° |
| C8 | C9 | H6 | 109.5° | 109.5° |
| C8 | C9 | H7 | 109.4° | 109.5° |
| O42 | C14 | N16 | 108.0° | 109.0° |
| O42 | C14 | C20 | 109.6° | 109.6° |
| C14 | O42 | H39 | 109.5° | 114.0° |
| N16 | C14 | C20 | 109.8° | 109.4° |
| C14 | N16 | C17 | 125.1° | 122.4° |
| C14 | N16 | H38 | 117.4° | 118.8° |
| C14 | C20 | C19 | 110.5° | 109.0° |
| C14 | C20 | H13 | 109.2° | 109.6° |
| C14 | C20 | H14 | 109.2° | 109.6° |
| C2 | C3 | C4 | 118.9° | 119.9° |
| C3 | C2 | C1 | 119.9° | 120.2° |
| C3 | C2 | H12 | 120.0° | 119.9° |
| C3 | C4 | C5 | 121.6° | 120.0° |
| C3 | C4 | H1 | 119.2° | 120.0° |
| N16 | C17 | O21 | 121.6° | 118.1° |
| N16 | C17 | O18 | 118.5° | 123.8° |
| C17 | N16 | H38 | 117.4° | 118.8° |
| C40 | C39 | O30 | 116.8° | 120.1° |
| C40 | C39 | O41 | 123.3° | 120.0° |
| C39 | C40 | H35 | 109.5° | 109.4° |
| C39 | C40 | H36 | 109.5° | 109.5° |
| C39 | C40 | H37 | 109.4° | 109.5° |
| C2 | C1 | O34 | 120.5° | 120.0° |
| C2 | C1 | C6 | 121.5° | 120.0° |
| C1 | C2 | H12 | 120.1° | 119.9° |
| C4 | C5 | C6 | 119.8° | 120.2° |
| C4 | C5 | N31 | 115.1° | 121.0° |
| C5 | C4 | H1 | 119.2° | 120.0° |
| O21 | C17 | O18 | 119.9° | 118.1° |
| C20 | C19 | O18 | 109.8° | 109.9° |
| C20 | C19 | C22 | 112.6° | 110.0° |
| C20 | C19 | H11 | 107.7° | 109.2° |
| C19 | C20 | H13 | 109.2° | 109.5° |
| C19 | C20 | H14 | 109.2° | 109.5° |
| C17 | O18 | C19 | 120.4° | 118.6° |
| C36 | O34 | C1 | 115.8° | 117.0° |
| O34 | C36 | H26 | 109.5° | 109.5° |
| O34 | C36 | H27 | 109.5° | 109.5° |
| O34 | C36 | H28 | 109.5° | 109.4° |
| O34 | C1 | C6 | 118.0° | 120.0° |
| C1 | C6 | C5 | 118.3° | 119.7° |
| C1 | C6 | CL33 | 119.3° | 120.1° |
| O30 | C39 | O41 | 119.9° | 120.0° |
| C39 | O30 | C26 | 115.4° | 117.1° |
| O30 | C26 | C25 | 110.7° | 109.4° |
| O30 | C26 | C27 | 112.3° | 109.4° |
| O30 | C26 | H20 | 107.9° | 109.3° |
| C6 | C5 | N31 | 125.1° | 118.8° |
| C5 | C6 | CL33 | 122.4° | 120.2° |
| C5 | N31 | C35 | 115.7° | 122.1° |
| C5 | N31 | C28 | 125.6° | 115.7° |
| O18 | C19 | C22 | 109.8° | 109.3° |
| O18 | C19 | H11 | 109.1° | 108.9° |
| C35 | N31 | C28 | 118.7° | 122.2° |
| N31 | C35 | H23 | 109.5° | 109.5° |
| N31 | C35 | H24 | 109.5° | 109.4° |
| N31 | C35 | H25 | 109.4° | 109.5° |
| C19 | C22 | C23 | 112.3° | 109.6° |
| C19 | C22 | C24 | 110.6° | 109.4° |
| C22 | C19 | H11 | 107.6° | 109.6° |
| C19 | C22 | H15 | 108.0° | 109.5° |
| N31 | C28 | C27 | 116.4° | 117.9° |
| N31 | C28 | O32 | 121.8° | 121.0° |
| C38 | C25 | C26 | 116.5° | 115.0° |
| C38 | C25 | C23 | 119.1° | 117.3° |
| C38 | C25 | O29 | 117.3° | 117.6° |
| C25 | C38 | H32 | 109.5° | 109.4° |
| C25 | C38 | H33 | 109.5° | 109.4° |
| C25 | C38 | H34 | 109.4° | 109.5° |
| C25 | C26 | C27 | 112.4° | 109.9° |
| C26 | C25 | C23 | 116.4° | 117.8° |
| C26 | C25 | O29 | 117.3° | 119.4° |
| C25 | C26 | H20 | 106.6° | 109.4° |
| C26 | C27 | C28 | 110.0° | 109.9° |
| C27 | C26 | H20 | 106.5° | 109.4° |
| C26 | C27 | H21 | 109.3° | 109.4° |
| C26 | C27 | H22 | 109.3° | 109.4° |
| C27 | C28 | O32 | 121.8° | 121.0° |
| C28 | C27 | H21 | 109.3° | 109.4° |
| C28 | C27 | H22 | 109.4° | 109.4° |
| C23 | C25 | O29 | 57.3° | 58.1° |
| C25 | C23 | C22 | 120.3° | 117.7° |
| C25 | C23 | O29 | 60.1° | 57.5° |
| C25 | C23 | H16 | 115.8° | 115.9° |
| C25 | O29 | C23 | 62.6° | 64.3° |
| C23 | C22 | C24 | 109.6° | 109.5° |
| C22 | C23 | O29 | 118.1° | 118.6° |
| C23 | C22 | H15 | 108.1° | 109.4° |
| C22 | C23 | H16 | 114.6° | 116.0° |
| C24 | C22 | H15 | 108.1° | 109.5° |
| C22 | C24 | H17 | 109.5° | 109.5° |
| C22 | C24 | H18 | 109.5° | 109.5° |
| C22 | C24 | H19 | 109.5° | 109.5° |
| O29 | C23 | H16 | 117.4° | 118.3° |
| H3 | C7 | H4 | 109.5° | 109.0° |
| H5 | C9 | H6 | 109.4° | 109.5° |
| H5 | C9 | H7 | 109.5° | 109.5° |
| H6 | C9 | H7 | 109.5° | 109.5° |
| H13 | C20 | H14 | 109.5° | 109.6° |
| H17 | C24 | H18 | 109.4° | 109.5° |
| H17 | C24 | H19 | 109.4° | 109.5° |
| H18 | C24 | H19 | 109.5° | 109.4° |
| H21 | C27 | H22 | 109.5° | 109.3° |
| H23 | C35 | H24 | 109.5° | 109.5° |
| H23 | C35 | H25 | 109.4° | 109.6° |
| H24 | C35 | H25 | 109.5° | 109.5° |
| H26 | C36 | H27 | 109.5° | 109.4° |
| H26 | C36 | H28 | 109.4° | 109.4° |
| H27 | C36 | H28 | 109.5° | 109.5° |
| H29 | C37 | H30 | 109.5° | 109.5° |
| H29 | C37 | H31 | 109.5° | 109.5° |
| H30 | C37 | H31 | 109.5° | 109.5° |
| H32 | C38 | H33 | 109.5° | 109.5° |
| H32 | C38 | H34 | 109.5° | 109.5° |
| H33 | C38 | H34 | 109.5° | 109.5° |
| H35 | C40 | H36 | 109.5° | 109.4° |
| H35 | C40 | H37 | 109.5° | 109.5° |
| H36 | C40 | H37 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C37 | O15 | C13 | C12 | 125.9° | 90.0° |
| C37 | O15 | C13 | C14 | 110.1° | 148.3° |
| C37 | O15 | C13 | H10 | 8.0° | 29.2° |
| O15 | C37 | H29 | H30 | 120.0° | 120.0° |
| O15 | C37 | H29 | H31 | 120.0° | 120.0° |
| O15 | C37 | H30 | H31 | 119.9° | 120.0° |
| O15 | C13 | C12 | C14 | 123.8° | 120.4° |
| O15 | C13 | C12 | H10 | 118.5° | 119.2° |
| O15 | C13 | C12 | C11 | 144.6° | 39.0° |
| O15 | C13 | C14 | H10 | 118.9° | 119.1° |
| O15 | C13 | C14 | O42 | 66.5° | 47.5° |
| O15 | C13 | C14 | N16 | 51.4° | 71.8° |
| O15 | C13 | C14 | C20 | 171.9° | 167.8° |
| O15 | C13 | C12 | H9 | 35.4° | 141.8° |
| C13 | O15 | C37 | H29 | 180.0° | 180.0° |
| C13 | O15 | C37 | H30 | 60.0° | 60.0° |
| C13 | O15 | C37 | H31 | 60.0° | 60.0° |
| C13 | C12 | C11 | H9 | 180.0° | 179.1° |
| C13 | C12 | C11 | C10 | 179.8° | 172.5° |
| C12 | C13 | C14 | H10 | 118.0° | 120.4° |
| C12 | C13 | C14 | O42 | 56.6° | 73.0° |
| C12 | C13 | C14 | N16 | 174.5° | 167.8° |
| C12 | C13 | C14 | C20 | 65.0° | 47.4° |
| C13 | C12 | C11 | H2 | 0.2° | 5.0° |
| C12 | C11 | C10 | H2 | 180.0° | 177.4° |
| C12 | C11 | C10 | C8 | 179.9° | 143.3° |
| C11 | C12 | C13 | C14 | 91.6° | 81.4° |
| C12 | C11 | C10 | H8 | 0.0° | 37.1° |
| C11 | C12 | C13 | H10 | 26.1° | 158.2° |
| C11 | C10 | C8 | H8 | 180.0° | 179.5° |
| C11 | C10 | C8 | C7 | 179.8° | 178.2° |
| C11 | C10 | C8 | C9 | 0.1° | 2.1° |
| C10 | C11 | C12 | H9 | 0.2° | 8.4° |
| C10 | C8 | C7 | C9 | 179.7° | 179.8° |
| C10 | C8 | C7 | C3 | 119.8° | 133.2° |
| C8 | C10 | C11 | H2 | 0.1° | 39.2° |
| C10 | C8 | C7 | H3 | 0.2° | 106.4° |
| C10 | C8 | C7 | H4 | 120.2° | 12.7° |
| C10 | C8 | C9 | H5 | 180.0° | 89.8° |
| C10 | C8 | C9 | H6 | 60.0° | 30.2° |
| C10 | C8 | C9 | H7 | 60.0° | 150.3° |
| C13 | C14 | O42 | N16 | 118.0° | 119.5° |
| C13 | C14 | O42 | C20 | 122.4° | 120.8° |
| C13 | C14 | N16 | C20 | 121.2° | 120.9° |
| C13 | C14 | N16 | C17 | 125.3° | 141.1° |
| C13 | C14 | C20 | C19 | 158.5° | 169.9° |
| C14 | C13 | C12 | H9 | 88.4° | 97.7° |
| C13 | C14 | C20 | H13 | 81.3° | 70.2° |
| C13 | C14 | C20 | H14 | 38.4° | 50.1° |
| C13 | C14 | N16 | H38 | 54.8° | 38.9° |
| C13 | C14 | O42 | H39 | 180.0° | 59.6° |
| C8 | C7 | C3 | H3 | 120.1° | 120.5° |
| C8 | C7 | C3 | H4 | 120.1° | 120.5° |
| C8 | C7 | C3 | C2 | 108.6° | 144.0° |
| C8 | C7 | C3 | C4 | 71.2° | 36.4° |
| C8 | C7 | H3 | H4 | 119.9° | 119.2° |
| C7 | C8 | C9 | H5 | 0.3° | 90.0° |
| C7 | C8 | C9 | H6 | 120.3° | 150.0° |
| C7 | C8 | C9 | H7 | 119.7° | 30.0° |
| C7 | C8 | C10 | H8 | 0.2° | 1.4° |
| C3 | C7 | C8 | C9 | 59.9° | 46.6° |
| C7 | C3 | C2 | C4 | 179.7° | 179.6° |
| C7 | C3 | C2 | C1 | 179.8° | 178.5° |
| C7 | C3 | C4 | C5 | 179.7° | 178.8° |
| C7 | C3 | C4 | H1 | 0.2° | 1.5° |
| C3 | C7 | H3 | H4 | 119.9° | 119.0° |
| C7 | C3 | C2 | H12 | 0.2° | 0.9° |
| C9 | C8 | C7 | H3 | 179.9° | 73.9° |
| C9 | C8 | C7 | H4 | 60.1° | 167.0° |
| C8 | C9 | H5 | H6 | 120.0° | 120.0° |
| C8 | C9 | H5 | H7 | 120.0° | 120.0° |
| C8 | C9 | H6 | H7 | 120.0° | 120.0° |
| C9 | C8 | C10 | H8 | 179.9° | 178.4° |
| O42 | C14 | N16 | C20 | 119.5° | 119.8° |
| O42 | C14 | N16 | C17 | 115.4° | 99.6° |
| O42 | C14 | C20 | C19 | 79.4° | 70.0° |
| O42 | C14 | C13 | H10 | 174.6° | 166.6° |
| O42 | C14 | C20 | H13 | 40.7° | 49.9° |
| O42 | C14 | C20 | H14 | 160.4° | 170.2° |
| O42 | C14 | N16 | H38 | 64.6° | 80.4° |
| C14 | N16 | C17 | H38 | 180.0° | 180.0° |
| C14 | N16 | C17 | O21 | 166.0° | 176.2° |
| N16 | C14 | C20 | C19 | 39.0° | 49.5° |
| C14 | N16 | C17 | O18 | 14.1° | 3.7° |
| N16 | C14 | C13 | H10 | 67.5° | 47.3° |
| N16 | C14 | C20 | H13 | 159.1° | 169.4° |
| N16 | C14 | C20 | H14 | 81.2° | 70.3° |
| N16 | C14 | O42 | H39 | 62.0° | 59.9° |
| C20 | C14 | N16 | C17 | 4.1° | 20.3° |
| C14 | C20 | C19 | H13 | 120.1° | 119.9° |
| C14 | C20 | C19 | H14 | 120.2° | 119.9° |
| C14 | C20 | C19 | O18 | 58.5° | 58.3° |
| C14 | C20 | C19 | C22 | 178.8° | 178.6° |
| C20 | C14 | C13 | H10 | 53.0° | 73.1° |
| C14 | C20 | C19 | H11 | 60.3° | 61.1° |
| C14 | C20 | H13 | H14 | 119.6° | 120.3° |
| C20 | C14 | N16 | H38 | 175.9° | 159.7° |
| C20 | C14 | O42 | H39 | 57.6° | 179.7° |
| C3 | C2 | C1 | H12 | 180.0° | 179.5° |
| C2 | C3 | C4 | C5 | 0.0° | 0.8° |
| C3 | C2 | C1 | O34 | 179.9° | 179.7° |
| C3 | C2 | C1 | C6 | 0.0° | 0.7° |
| C2 | C3 | C4 | H1 | 180.0° | 178.9° |
| C2 | C3 | C7 | H3 | 131.4° | 23.5° |
| C2 | C3 | C7 | H4 | 11.5° | 95.5° |
| C4 | C3 | C2 | C1 | 0.1° | 1.1° |
| C3 | C4 | C5 | H1 | 180.0° | 179.7° |
| C3 | C4 | C5 | C6 | 0.1° | 0.2° |
| C3 | C4 | C5 | N31 | 179.9° | 179.7° |
| C4 | C3 | C7 | H3 | 48.9° | 156.9° |
| C4 | C3 | C7 | H4 | 168.8° | 84.1° |
| C4 | C3 | C2 | H12 | 180.0° | 179.5° |
| N16 | C17 | O21 | O18 | 179.9° | 180.0° |
| N16 | C17 | O18 | C19 | 7.2° | 4.9° |
| C40 | C39 | O30 | O41 | 179.9° | 180.0° |
| C40 | C39 | O30 | C26 | 172.4° | 180.0° |
| C39 | C40 | H35 | H36 | 120.0° | 120.0° |
| C39 | C40 | H35 | H37 | 120.0° | 120.0° |
| C39 | C40 | H36 | H37 | 120.0° | 120.0° |
| C2 | C1 | O34 | C36 | 87.4° | 0.4° |
| C2 | C1 | O34 | C6 | 179.9° | 179.6° |
| C2 | C1 | C6 | C5 | 0.1° | 0.1° |
| C2 | C1 | C6 | CL33 | 180.0° | 179.8° |
| C4 | C5 | C6 | C1 | 0.1° | 0.1° |
| C4 | C5 | C6 | N31 | 179.8° | 179.9° |
| C4 | C5 | C6 | CL33 | 179.9° | 179.9° |
| C4 | C5 | N31 | C35 | 97.0° | 174.7° |
| C4 | C5 | N31 | C28 | 83.3° | 5.3° |
| O21 | C17 | O18 | C19 | 172.8° | 175.2° |
| O21 | C17 | N16 | H38 | 14.1° | 3.8° |
| C20 | C19 | O18 | C17 | 43.0° | 36.2° |
| C20 | C19 | O18 | C22 | 124.3° | 120.8° |
| C20 | C19 | O18 | H11 | 117.9° | 119.5° |
| C20 | C19 | C22 | H11 | 118.6° | 120.0° |
| C20 | C19 | C22 | C23 | 69.8° | 106.7° |
| C20 | C19 | C22 | C24 | 167.4° | 133.3° |
| C19 | C20 | H13 | H14 | 119.5° | 120.2° |
| C20 | C19 | C22 | H15 | 49.3° | 13.3° |
| C17 | O18 | C19 | C22 | 167.4° | 157.0° |
| C17 | O18 | C19 | H11 | 74.8° | 83.3° |
| O18 | C17 | N16 | H38 | 165.9° | 176.3° |
| C36 | O34 | C1 | C6 | 92.5° | 180.0° |
| O34 | C36 | H26 | H27 | 120.0° | 120.0° |
| O34 | C36 | H26 | H28 | 120.0° | 120.0° |
| O34 | C36 | H27 | H28 | 120.0° | 120.0° |
| O34 | C1 | C6 | C5 | 180.0° | 179.7° |
| O34 | C1 | C6 | CL33 | 0.1° | 0.2° |
| O34 | C1 | C2 | H12 | 0.1° | 0.2° |
| C1 | O34 | C36 | H26 | 180.0° | 180.0° |
| C1 | O34 | C36 | H27 | 60.0° | 60.0° |
| C1 | O34 | C36 | H28 | 60.0° | 60.1° |
| C1 | C6 | C5 | CL33 | 180.0° | 179.9° |
| C1 | C6 | C5 | N31 | 179.9° | 180.0° |
| C6 | C1 | C2 | H12 | 180.0° | 179.8° |
| C39 | O30 | C26 | C25 | 110.9° | 149.9° |
| C39 | O30 | C26 | C27 | 122.6° | 89.6° |
| C39 | O30 | C26 | H20 | 5.5° | 30.2° |
| O30 | C39 | C40 | H35 | 179.9° | 0.0° |
| O30 | C39 | C40 | H36 | 60.1° | 119.9° |
| O30 | C39 | C40 | H37 | 59.9° | 120.0° |
| O41 | C39 | O30 | C26 | 7.6° | 0.0° |
| O41 | C39 | C40 | H35 | 0.0° | 180.0° |
| O41 | C39 | C40 | H36 | 120.0° | 60.0° |
| O41 | C39 | C40 | H37 | 120.0° | 60.0° |
| O30 | C26 | C25 | C38 | 58.9° | 114.9° |
| O30 | C26 | C25 | C27 | 126.5° | 120.1° |
| O30 | C26 | C25 | H20 | 117.2° | 119.7° |
| O30 | C26 | C27 | H20 | 117.9° | 119.7° |
| O30 | C26 | C27 | C28 | 62.5° | 7.9° |
| O30 | C26 | C25 | C23 | 89.7° | 29.9° |
| O30 | C26 | C25 | O29 | 154.7° | 97.0° |
| O30 | C26 | C27 | H21 | 57.6° | 128.0° |
| O30 | C26 | C27 | H22 | 177.4° | 112.2° |
| C6 | C5 | N31 | C35 | 82.7° | 5.1° |
| C6 | C5 | N31 | C28 | 96.9° | 174.8° |
| C6 | C5 | C4 | H1 | 179.9° | 179.5° |
| N31 | C5 | C6 | CL33 | 0.2° | 0.1° |
| C5 | N31 | C35 | C28 | 179.7° | 180.0° |
| C5 | N31 | C28 | C27 | 0.3° | 178.9° |
| C5 | N31 | C28 | O32 | 180.0° | 1.1° |
| N31 | C5 | C4 | H1 | 0.1° | 0.6° |
| C5 | N31 | C35 | H23 | 180.0° | 54.9° |
| C5 | N31 | C35 | H24 | 60.0° | 174.8° |
| C5 | N31 | C35 | H25 | 60.0° | 65.2° |
| O18 | C19 | C22 | H11 | 118.7° | 119.2° |
| O18 | C19 | C22 | C23 | 167.5° | 132.6° |
| O18 | C19 | C22 | C24 | 44.7° | 12.6° |
| O18 | C19 | C20 | H13 | 178.6° | 178.1° |
| O18 | C19 | C20 | H14 | 61.7° | 61.6° |
| O18 | C19 | C22 | H15 | 73.4° | 107.4° |
| C35 | N31 | C28 | C27 | 180.0° | 1.1° |
| C35 | N31 | C28 | O32 | 0.3° | 178.9° |
| N31 | C35 | H23 | H24 | 120.0° | 119.9° |
| N31 | C35 | H23 | H25 | 120.0° | 120.1° |
| N31 | C35 | H24 | H25 | 120.0° | 119.9° |
| C19 | C22 | C23 | C25 | 94.4° | 136.7° |
| C19 | C22 | C23 | C24 | 123.4° | 120.0° |
| C19 | C22 | C23 | H15 | 119.1° | 120.0° |
| C19 | C22 | C24 | H15 | 118.1° | 120.0° |
| C19 | C22 | C23 | O29 | 164.4° | 157.1° |
| C22 | C19 | C20 | H13 | 58.7° | 61.5° |
| C22 | C19 | C20 | H14 | 61.0° | 58.8° |
| C19 | C22 | C23 | H16 | 50.9° | 7.0° |
| C19 | C22 | C24 | H17 | 180.0° | 60.0° |
| C19 | C22 | C24 | H18 | 60.0° | 180.0° |
| C19 | C22 | C24 | H19 | 60.0° | 60.0° |
| N31 | C28 | C27 | C26 | 124.0° | 129.5° |
| N31 | C28 | C27 | O32 | 179.6° | 180.0° |
| N31 | C28 | C27 | H21 | 3.9° | 110.4° |
| N31 | C28 | C27 | H22 | 115.9° | 9.3° |
| C28 | N31 | C35 | H23 | 0.3° | 125.1° |
| C28 | N31 | C35 | H24 | 120.3° | 5.2° |
| C28 | N31 | C35 | H25 | 119.7° | 114.7° |
| C38 | C25 | C26 | C23 | 148.5° | 144.7° |
| C38 | C25 | C26 | O29 | 146.5° | 148.1° |
| C38 | C25 | C26 | C27 | 67.6° | 5.3° |
| C38 | C25 | C23 | O29 | 105.4° | 107.0° |
| C38 | C25 | C23 | C22 | 1.6° | 0.8° |
| C38 | C25 | C23 | H16 | 146.5° | 144.6° |
| C38 | C25 | C26 | H20 | 176.0° | 125.4° |
| C25 | C38 | H32 | H33 | 120.0° | 119.9° |
| C25 | C38 | H32 | H34 | 120.0° | 120.0° |
| C25 | C38 | H33 | H34 | 120.0° | 120.0° |
| C25 | C26 | C27 | H20 | 116.4° | 120.1° |
| C25 | C26 | C27 | C28 | 171.9° | 112.2° |
| C26 | C25 | C23 | O29 | 106.9° | 109.1° |
| C26 | C25 | C23 | C22 | 146.1° | 143.1° |
| C26 | C25 | C23 | H16 | 1.2° | 0.7° |
| C25 | C26 | C27 | H21 | 68.1° | 7.9° |
| C25 | C26 | C27 | H22 | 51.8° | 127.6° |
| C26 | C25 | C38 | H32 | 180.0° | 175.8° |
| C26 | C25 | C38 | H33 | 60.0° | 55.9° |
| C26 | C25 | C38 | H34 | 60.0° | 64.1° |
| C26 | C27 | C28 | H21 | 120.1° | 120.1° |
| C26 | C27 | C28 | H22 | 120.1° | 120.1° |
| C26 | C27 | C28 | O32 | 55.6° | 50.6° |
| C27 | C26 | C25 | C23 | 143.8° | 150.0° |
| C27 | C26 | C25 | O29 | 78.8° | 142.8° |
| C26 | C27 | H21 | H22 | 119.8° | 119.8° |
| C28 | C27 | C26 | H20 | 55.4° | 127.6° |
| C28 | C27 | H21 | H22 | 119.8° | 119.8° |
| O32 | C28 | C27 | H21 | 175.7° | 69.5° |
| O32 | C28 | C27 | H22 | 64.4° | 170.7° |
| C25 | C23 | C22 | O29 | 70.0° | 66.1° |
| C25 | C23 | C22 | H16 | 145.3° | 143.7° |
| C25 | C23 | C22 | C24 | 142.2° | 103.3° |
| C25 | C23 | O29 | H16 | 105.5° | 104.2° |
| C25 | C23 | C22 | H15 | 24.6° | 16.7° |
| C23 | C25 | C26 | H20 | 27.5° | 89.9° |
| C23 | C25 | C38 | H32 | 32.4° | 39.3° |
| C23 | C25 | C38 | H33 | 152.4° | 159.2° |
| C23 | C25 | C38 | H34 | 87.6° | 80.8° |
| O29 | C25 | C26 | H20 | 37.5° | 22.7° |
| O29 | C25 | C38 | H32 | 33.5° | 27.1° |
| O29 | C25 | C38 | H33 | 86.5° | 92.8° |
| O29 | C25 | C38 | H34 | 153.5° | 147.2° |
| C23 | C22 | C24 | H15 | 117.5° | 120.0° |
| C22 | C23 | O29 | H16 | 143.8° | 149.5° |
| C23 | C22 | C19 | H11 | 48.8° | 13.3° |
| C23 | C22 | C24 | H17 | 55.6° | 60.1° |
| C23 | C22 | C24 | H18 | 175.6° | 59.9° |
| C23 | C22 | C24 | H19 | 64.4° | 179.9° |
| C24 | C22 | C23 | O29 | 72.2° | 37.1° |
| C24 | C22 | C19 | H11 | 74.1° | 106.7° |
| C24 | C22 | C23 | H16 | 72.5° | 113.0° |
| C22 | C24 | H17 | H18 | 120.0° | 120.0° |
| C22 | C24 | H17 | H19 | 120.0° | 120.0° |
| C22 | C24 | H18 | H19 | 120.0° | 120.0° |
| O29 | C23 | C22 | H15 | 45.3° | 82.9° |
| H2 | C11 | C10 | H8 | 180.0° | 140.3° |
| H2 | C11 | C12 | H9 | 179.8° | 174.2° |
| H5 | C9 | H6 | H7 | 120.0° | 120.0° |
| H9 | C12 | C13 | H10 | 153.9° | 22.7° |
| H11 | C19 | C20 | H13 | 59.9° | 58.8° |
| H11 | C19 | C20 | H14 | 179.5° | 179.1° |
| H11 | C19 | C22 | H15 | 167.8° | 133.3° |
| H15 | C22 | C23 | H16 | 169.9° | 127.0° |
| H15 | C22 | C24 | H17 | 61.9° | 180.0° |
| H15 | C22 | C24 | H18 | 58.0° | 60.0° |
| H15 | C22 | C24 | H19 | 178.1° | 60.0° |
| H17 | C24 | H18 | H19 | 119.9° | 120.0° |
| H20 | C26 | C27 | H21 | 175.5° | 112.2° |
| H20 | C26 | C27 | H22 | 64.6° | 7.5° |
| H23 | C35 | H24 | H25 | 120.0° | 120.1° |
| H26 | C36 | H27 | H28 | 120.0° | 120.0° |
| H29 | C37 | H30 | H31 | 120.0° | 120.0° |
| H32 | C38 | H33 | H34 | 120.0° | 120.1° |
| H35 | C40 | H36 | H37 | 120.0° | 120.0° |
