5KI
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 | 1.51Å | 1.51Å | |
| C12 | C11 | doub | 1.33Å | 1.34Å | |
| C13 | C14 | sing | 1.51Å | 1.51Å | |
| C10 | C11 | sing | 1.47Å | 1.47Å | |
| C10 | C8 | doub | 1.33Å | 1.35Å | |
| C7 | C8 | sing | 1.51Å | 1.51Å | |
| C7 | C3 | sing | 1.50Å | 1.51Å | |
| C8 | C9 | sing | 1.50Å | 1.50Å | |
| C14 | N16 | sing | 1.39Å | 1.44Å | |
| C14 | C20 | doub | 1.31Å | 1.34Å | |
| N16 | C17 | sing | 1.34Å | 1.42Å | |
| C40 | C39 | sing | 1.51Å | 1.50Å | |
| C3 | C2 | doub | 1.38Å | 1.39Å | Aromatic |
| C3 | C4 | sing | 1.38Å | 1.39Å | Aromatic |
| C2 | C1 | sing | 1.39Å | 1.40Å | Aromatic |
| C4 | C5 | doub | 1.39Å | 1.39Å | Aromatic |
| C20 | C19 | sing | 1.50Å | 1.51Å | |
| C17 | O21 | doub | 1.21Å | 1.24Å | |
| C17 | O18 | sing | 1.33Å | 1.36Å | |
| C39 | O30 | sing | 1.34Å | 1.35Å | |
| C39 | O41 | doub | 1.21Å | 1.23Å | |
| C36 | O34 | sing | 1.43Å | 1.43Å | |
| C1 | O34 | sing | 1.36Å | 1.39Å | |
| C1 | C6 | doub | 1.39Å | 1.40Å | Aromatic |
| O30 | C26 | sing | 1.45Å | 1.43Å | |
| C5 | C6 | sing | 1.39Å | 1.41Å | Aromatic |
| C5 | N31 | sing | 1.42Å | 1.40Å | |
| C19 | O18 | sing | 1.44Å | 1.44Å | |
| C19 | C22 | sing | 1.53Å | 1.55Å | |
| C35 | N31 | sing | 1.47Å | 1.48Å | |
| C6 | CL33 | sing | 1.74Å | 1.76Å | |
| C38 | C25 | sing | 1.53Å | 1.54Å | |
| N31 | C28 | sing | 1.37Å | 1.34Å | |
| C26 | C25 | sing | 1.53Å | 1.52Å | |
| C26 | C27 | sing | 1.53Å | 1.55Å | |
| C22 | C23 | sing | 1.53Å | 1.52Å | |
| C22 | C24 | sing | 1.53Å | 1.54Å | |
| C25 | C23 | sing | 1.52Å | 1.51Å | |
| C25 | O29 | sing | 1.42Å | 1.44Å | |
| C28 | C27 | sing | 1.51Å | 1.51Å | |
| C28 | O32 | doub | 1.21Å | 1.23Å | |
| 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 | 1.08Å | 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 | 1.08Å | 1.08Å | |
| C22 | H14 | sing | 1.09Å | 1.10Å | |
| C23 | H15 | sing | 1.09Å | 1.10Å | |
| C24 | H16 | sing | 1.09Å | 1.10Å | |
| C24 | H17 | sing | 1.09Å | 1.10Å | |
| C24 | H18 | sing | 1.09Å | 1.10Å | |
| C26 | H19 | sing | 1.09Å | 1.10Å | |
| C27 | H20 | sing | 1.09Å | 1.10Å | |
| C27 | H21 | sing | 1.09Å | 1.10Å | |
| C35 | H22 | sing | 1.09Å | 1.10Å | |
| C35 | H23 | sing | 1.09Å | 1.10Å | |
| C35 | H24 | sing | 1.09Å | 1.10Å | |
| C36 | H25 | sing | 1.09Å | 1.10Å | |
| C36 | H26 | sing | 1.09Å | 1.10Å | |
| C36 | H27 | sing | 1.09Å | 1.10Å | |
| C37 | H28 | sing | 1.09Å | 1.10Å | |
| C37 | H29 | sing | 1.09Å | 1.10Å | |
| C37 | H30 | sing | 1.09Å | 1.10Å | |
| C38 | H31 | sing | 1.09Å | 1.10Å | |
| C38 | H32 | sing | 1.09Å | 1.10Å | |
| C38 | H33 | sing | 1.09Å | 1.10Å | |
| C40 | H34 | sing | 1.09Å | 1.10Å | |
| C40 | H35 | sing | 1.09Å | 1.10Å | |
| C40 | H36 | sing | 1.09Å | 1.10Å | |
| N16 | H37 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C37 | O15 | C13 | 112.0° | 114.0° |
| O15 | C37 | H28 | 109.5° | 109.4° |
| O15 | C37 | H29 | 109.5° | 109.5° |
| O15 | C37 | H30 | 109.5° | 109.4° |
| O15 | C13 | C12 | 110.6° | 109.3° |
| O15 | C13 | C14 | 110.3° | 109.4° |
| O15 | C13 | H10 | 108.5° | 109.3° |
| C13 | C12 | C11 | 122.1° | 119.8° |
| C12 | C13 | C14 | 112.0° | 110.1° |
| C13 | C12 | H9 | 119.0° | 120.2° |
| C12 | C13 | H10 | 107.6° | 109.4° |
| C12 | C11 | C10 | 122.7° | 119.9° |
| C12 | C11 | H2 | 118.6° | 119.8° |
| C11 | C12 | H9 | 119.0° | 120.0° |
| C13 | C14 | N16 | 113.7° | 119.6° |
| C13 | C14 | C20 | 127.2° | 120.2° |
| C14 | C13 | H10 | 107.6° | 109.4° |
| C11 | C10 | C8 | 123.5° | 120.7° |
| C10 | C11 | H2 | 118.7° | 120.3° |
| C11 | C10 | H8 | 118.3° | 119.7° |
| C10 | C8 | C7 | 121.7° | 119.5° |
| C10 | C8 | C9 | 122.1° | 120.2° |
| C8 | C10 | H8 | 118.2° | 119.7° |
| C8 | C7 | C3 | 110.6° | 110.5° |
| C7 | C8 | C9 | 116.3° | 120.3° |
| C8 | C7 | H3 | 109.2° | 109.3° |
| C8 | C7 | H4 | 109.2° | 109.3° |
| C7 | C3 | C2 | 121.4° | 119.9° |
| C7 | C3 | C4 | 119.7° | 120.3° |
| C3 | C7 | H3 | 109.2° | 109.3° |
| C3 | C7 | H4 | 109.2° | 109.3° |
| C8 | C9 | H5 | 109.5° | 109.5° |
| C8 | C9 | H6 | 109.5° | 109.5° |
| C8 | C9 | H7 | 109.4° | 109.4° |
| N16 | C14 | C20 | 119.1° | 120.2° |
| C14 | N16 | C17 | 119.6° | 120.2° |
| C14 | N16 | H37 | 120.2° | 119.9° |
| C14 | C20 | C19 | 121.8° | 122.4° |
| C14 | C20 | H13 | 119.1° | 118.8° |
| N16 | C17 | O21 | 121.7° | 118.6° |
| N16 | C17 | O18 | 117.6° | 122.8° |
| C17 | N16 | H37 | 120.2° | 119.8° |
| C40 | C39 | O30 | 116.7° | 120.0° |
| C40 | C39 | O41 | 123.3° | 120.0° |
| C39 | C40 | H34 | 109.5° | 109.5° |
| C39 | C40 | H35 | 109.4° | 109.4° |
| C39 | C40 | H36 | 109.5° | 109.5° |
| C2 | C3 | C4 | 118.9° | 119.8° |
| C3 | C2 | C1 | 119.8° | 120.4° |
| C3 | C2 | H12 | 120.1° | 119.8° |
| C3 | C4 | C5 | 121.8° | 120.1° |
| C3 | C4 | H1 | 119.1° | 120.0° |
| C2 | C1 | O34 | 120.4° | 120.1° |
| C2 | C1 | C6 | 121.5° | 119.9° |
| C1 | C2 | H12 | 120.1° | 119.8° |
| C4 | C5 | C6 | 119.8° | 120.2° |
| C4 | C5 | N31 | 114.2° | 120.6° |
| C5 | C4 | H1 | 119.1° | 119.9° |
| C20 | C19 | O18 | 112.9° | 112.8° |
| C20 | C19 | C22 | 112.6° | 108.8° |
| C20 | C19 | H11 | 106.8° | 109.0° |
| C19 | C20 | H13 | 119.1° | 118.8° |
| O21 | C17 | O18 | 120.7° | 118.6° |
| C17 | O18 | C19 | 124.3° | 121.6° |
| O30 | C39 | O41 | 120.1° | 120.1° |
| C39 | O30 | C26 | 115.9° | 117.0° |
| C36 | O34 | C1 | 116.1° | 117.0° |
| O34 | C36 | H25 | 109.5° | 109.5° |
| O34 | C36 | H26 | 109.5° | 109.4° |
| O34 | C36 | H27 | 109.4° | 109.4° |
| O34 | C1 | C6 | 118.0° | 120.1° |
| C1 | C6 | C5 | 118.2° | 119.7° |
| C1 | C6 | CL33 | 119.3° | 120.1° |
| O30 | C26 | C25 | 110.9° | 109.5° |
| O30 | C26 | C27 | 112.4° | 109.5° |
| O30 | C26 | H19 | 108.0° | 109.5° |
| C6 | C5 | N31 | 126.0° | 119.2° |
| C5 | C6 | CL33 | 122.5° | 120.2° |
| C5 | N31 | C35 | 116.1° | 122.3° |
| C5 | N31 | C28 | 125.3° | 115.4° |
| O18 | C19 | C22 | 110.0° | 108.6° |
| O18 | C19 | H11 | 107.7° | 108.9° |
| C19 | C22 | C23 | 112.4° | 109.4° |
| C19 | C22 | C24 | 110.3° | 109.5° |
| C22 | C19 | H11 | 106.4° | 108.7° |
| C19 | C22 | H14 | 108.3° | 109.5° |
| C35 | N31 | C28 | 118.6° | 122.3° |
| N31 | C35 | H22 | 109.5° | 109.5° |
| N31 | C35 | H23 | 109.5° | 109.5° |
| N31 | C35 | H24 | 109.5° | 109.5° |
| C38 | C25 | C26 | 116.6° | 115.0° |
| C38 | C25 | C23 | 119.4° | 117.7° |
| C38 | C25 | O29 | 117.6° | 117.6° |
| C25 | C38 | H31 | 109.5° | 109.5° |
| C25 | C38 | H32 | 109.5° | 109.5° |
| C25 | C38 | H33 | 109.5° | 109.5° |
| N31 | C28 | C27 | 115.6° | 118.3° |
| N31 | C28 | O32 | 122.3° | 120.8° |
| C25 | C26 | C27 | 111.8° | 109.4° |
| C26 | C25 | C23 | 115.8° | 118.0° |
| C26 | C25 | O29 | 117.6° | 118.9° |
| C25 | C26 | H19 | 106.9° | 109.5° |
| C26 | C27 | C28 | 110.1° | 109.8° |
| C27 | C26 | H19 | 106.5° | 109.5° |
| C26 | C27 | H20 | 109.3° | 109.4° |
| C26 | C27 | H21 | 109.3° | 109.4° |
| C23 | C22 | C24 | 108.8° | 109.5° |
| C22 | C23 | C25 | 121.3° | 118.0° |
| C22 | C23 | O29 | 117.4° | 118.2° |
| C23 | C22 | H14 | 108.6° | 109.5° |
| C22 | C23 | H15 | 115.1° | 116.1° |
| C24 | C22 | H14 | 108.4° | 109.5° |
| C22 | C24 | H16 | 109.5° | 109.4° |
| C22 | C24 | H17 | 109.5° | 109.5° |
| C22 | C24 | H18 | 109.5° | 109.5° |
| C23 | C25 | O29 | 56.5° | 57.9° |
| C25 | C23 | O29 | 59.1° | 57.6° |
| C25 | C23 | H15 | 115.2° | 116.3° |
| C25 | O29 | C23 | 64.4° | 64.4° |
| C27 | C28 | O32 | 122.1° | 120.9° |
| C28 | C27 | H20 | 109.3° | 109.4° |
| C28 | C27 | H21 | 109.3° | 109.4° |
| O29 | C23 | H15 | 117.4° | 117.9° |
| H3 | C7 | H4 | 109.5° | 109.1° |
| H5 | C9 | H6 | 109.5° | 109.5° |
| H5 | C9 | H7 | 109.4° | 109.4° |
| H6 | C9 | H7 | 109.5° | 109.5° |
| H16 | C24 | H17 | 109.5° | 109.5° |
| H16 | C24 | H18 | 109.4° | 109.4° |
| H17 | C24 | H18 | 109.5° | 109.5° |
| H20 | C27 | H21 | 109.4° | 109.3° |
| H22 | C35 | H23 | 109.5° | 109.4° |
| H22 | C35 | H24 | 109.5° | 109.5° |
| H23 | C35 | H24 | 109.4° | 109.5° |
| H25 | C36 | H26 | 109.5° | 109.6° |
| H25 | C36 | H27 | 109.5° | 109.4° |
| H26 | C36 | H27 | 109.5° | 109.5° |
| H28 | C37 | H29 | 109.5° | 109.5° |
| H28 | C37 | H30 | 109.5° | 109.5° |
| H29 | C37 | H30 | 109.5° | 109.5° |
| H31 | C38 | H32 | 109.5° | 109.5° |
| H31 | C38 | H33 | 109.5° | 109.5° |
| H32 | C38 | H33 | 109.4° | 109.5° |
| H34 | C40 | H35 | 109.4° | 109.5° |
| H34 | C40 | H36 | 109.4° | 109.5° |
| H35 | C40 | H36 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C37 | O15 | C13 | C12 | 29.0° | 90.0° |
| C37 | O15 | C13 | C14 | 95.6° | 149.3° |
| C37 | O15 | C13 | H10 | 146.8° | 29.6° |
| O15 | C37 | H28 | H29 | 120.0° | 120.0° |
| O15 | C37 | H28 | H30 | 120.0° | 119.9° |
| O15 | C37 | H29 | H30 | 120.0° | 120.0° |
| O15 | C13 | C12 | C14 | 123.6° | 120.2° |
| O15 | C13 | C12 | H10 | 118.4° | 119.6° |
| O15 | C13 | C12 | C11 | 155.1° | 7.1° |
| O15 | C13 | C14 | H10 | 118.2° | 119.6° |
| O15 | C13 | C14 | N16 | 39.7° | 128.2° |
| O15 | C13 | C14 | C20 | 140.7° | 51.0° |
| O15 | C13 | C12 | H9 | 24.9° | 172.4° |
| C13 | O15 | C37 | H28 | 180.0° | 180.0° |
| C13 | O15 | C37 | H29 | 60.0° | 60.0° |
| C13 | O15 | C37 | H30 | 60.0° | 60.0° |
| C13 | C12 | C11 | H9 | 180.0° | 179.4° |
| C12 | C13 | C14 | H10 | 118.0° | 120.2° |
| C13 | C12 | C11 | C10 | 180.0° | 179.2° |
| C12 | C13 | C14 | N16 | 163.4° | 111.6° |
| C12 | C13 | C14 | C20 | 17.0° | 69.2° |
| C13 | C12 | C11 | H2 | 0.0° | 1.4° |
| C11 | C12 | C13 | C14 | 81.3° | 127.3° |
| C12 | C11 | C10 | H2 | 180.0° | 179.4° |
| C12 | C11 | C10 | C8 | 179.8° | 158.8° |
| C12 | C11 | C10 | H8 | 0.3° | 21.7° |
| C11 | C12 | C13 | H10 | 36.7° | 112.5° |
| C13 | C14 | N16 | C20 | 179.6° | 179.2° |
| C13 | C14 | N16 | C17 | 160.6° | 178.8° |
| C13 | C14 | C20 | C19 | 179.9° | 178.6° |
| C14 | C13 | C12 | H9 | 98.7° | 52.1° |
| C13 | C14 | C20 | H13 | 0.1° | 1.5° |
| C13 | C14 | N16 | H37 | 19.4° | 1.2° |
| C11 | C10 | C8 | H8 | 180.0° | 179.5° |
| C11 | C10 | C8 | C7 | 179.9° | 179.1° |
| C11 | C10 | C8 | C9 | 0.5° | 1.1° |
| C10 | C11 | C12 | H9 | 0.0° | 1.4° |
| C10 | C8 | C7 | C9 | 179.5° | 179.8° |
| C10 | C8 | C7 | C3 | 122.8° | 128.5° |
| C8 | C10 | C11 | H2 | 0.2° | 20.6° |
| C10 | C8 | C7 | H3 | 2.7° | 111.1° |
| C10 | C8 | C7 | H4 | 117.0° | 8.2° |
| C10 | C8 | C9 | H5 | 180.0° | 89.9° |
| C10 | C8 | C9 | H6 | 60.0° | 30.1° |
| C10 | C8 | C9 | H7 | 60.0° | 150.2° |
| C8 | C7 | C3 | H3 | 120.2° | 120.3° |
| C8 | C7 | C3 | H4 | 120.2° | 120.3° |
| C8 | C7 | C3 | C2 | 96.5° | 135.5° |
| C8 | C7 | C3 | C4 | 83.5° | 44.5° |
| C8 | C7 | H3 | H4 | 119.5° | 119.4° |
| C7 | C8 | C9 | H5 | 0.5° | 89.9° |
| C7 | C8 | C9 | H6 | 120.6° | 150.0° |
| C7 | C8 | C9 | H7 | 119.4° | 30.0° |
| C7 | C8 | C10 | H8 | 0.1° | 0.4° |
| C3 | C7 | C8 | C9 | 56.6° | 51.3° |
| C7 | C3 | C2 | C4 | 179.9° | 179.9° |
| C7 | C3 | C2 | C1 | 179.9° | 179.1° |
| C7 | C3 | C4 | C5 | 179.9° | 179.3° |
| C7 | C3 | C4 | H1 | 0.1° | 1.1° |
| C3 | C7 | H3 | H4 | 119.5° | 119.5° |
| C7 | C3 | C2 | H12 | 0.0° | 0.4° |
| C9 | C8 | C7 | H3 | 176.8° | 69.0° |
| C9 | C8 | C7 | H4 | 63.5° | 171.7° |
| C8 | C9 | H5 | H6 | 120.0° | 120.1° |
| C8 | C9 | H5 | H7 | 120.0° | 119.9° |
| C8 | C9 | H6 | H7 | 120.0° | 120.0° |
| C9 | C8 | C10 | H8 | 179.5° | 179.4° |
| C14 | N16 | C17 | H37 | 180.0° | 179.9° |
| N16 | C14 | C20 | C19 | 0.3° | 0.6° |
| C14 | N16 | C17 | O21 | 156.7° | 179.7° |
| C14 | N16 | C17 | O18 | 22.8° | 0.4° |
| N16 | C14 | C13 | H10 | 78.6° | 8.6° |
| N16 | C14 | C20 | H13 | 179.7° | 179.3° |
| C20 | C14 | N16 | C17 | 19.0° | 0.3° |
| C14 | C20 | C19 | H13 | 180.0° | 179.9° |
| C14 | C20 | C19 | O18 | 14.5° | 0.1° |
| C14 | C20 | C19 | C22 | 139.8° | 120.7° |
| C20 | C14 | C13 | H10 | 101.0° | 170.6° |
| C14 | C20 | C19 | H11 | 103.7° | 121.0° |
| C20 | C14 | N16 | H37 | 161.0° | 179.6° |
| N16 | C17 | O21 | O18 | 179.5° | 179.9° |
| N16 | C17 | O18 | C19 | 7.3° | 0.9° |
| C40 | C39 | O30 | O41 | 179.9° | 180.0° |
| C40 | C39 | O30 | C26 | 168.2° | 180.0° |
| C39 | C40 | H34 | H35 | 120.0° | 120.0° |
| C39 | C40 | H34 | H36 | 120.0° | 120.0° |
| C39 | C40 | H35 | H36 | 120.0° | 120.0° |
| C3 | C2 | C1 | H12 | 180.0° | 179.5° |
| C2 | C3 | C4 | C5 | 0.0° | 0.7° |
| C3 | C2 | C1 | O34 | 180.0° | 179.9° |
| C3 | C2 | C1 | C6 | 0.0° | 0.5° |
| C2 | C3 | C4 | H1 | 180.0° | 179.0° |
| C2 | C3 | C7 | H3 | 143.4° | 15.2° |
| C2 | C3 | C7 | H4 | 23.7° | 104.2° |
| C4 | C3 | C2 | C1 | 0.0° | 0.9° |
| C3 | C4 | C5 | H1 | 180.0° | 179.7° |
| C3 | C4 | C5 | C6 | 0.1° | 0.1° |
| C3 | C4 | C5 | N31 | 180.0° | 179.9° |
| C4 | C3 | C7 | H3 | 36.7° | 164.8° |
| C4 | C3 | C7 | H4 | 156.4° | 75.8° |
| C4 | C3 | C2 | H12 | 180.0° | 179.6° |
| C2 | C1 | O34 | C36 | 78.0° | 0.5° |
| C2 | C1 | O34 | C6 | 180.0° | 179.5° |
| C2 | C1 | C6 | C5 | 0.0° | 0.0° |
| C2 | C1 | C6 | CL33 | 180.0° | 180.0° |
| C4 | C5 | C6 | C1 | 0.0° | 0.2° |
| C4 | C5 | C6 | N31 | 179.9° | 180.0° |
| C4 | C5 | N31 | C35 | 92.0° | 173.3° |
| C4 | C5 | C6 | CL33 | 180.0° | 179.8° |
| C4 | C5 | N31 | C28 | 88.2° | 6.8° |
| C20 | C19 | O18 | C17 | 10.6° | 0.6° |
| C20 | C19 | O18 | C22 | 126.7° | 120.7° |
| C20 | C19 | O18 | H11 | 117.7° | 121.2° |
| C20 | C19 | C22 | H11 | 116.7° | 118.5° |
| C20 | C19 | C22 | C23 | 79.9° | 82.3° |
| C20 | C19 | C22 | C24 | 158.5° | 157.7° |
| C20 | C19 | C22 | H14 | 40.1° | 37.6° |
| O21 | C17 | O18 | C19 | 172.2° | 179.2° |
| O21 | C17 | N16 | H37 | 23.2° | 0.3° |
| C17 | O18 | C19 | C22 | 137.3° | 120.1° |
| C17 | O18 | C19 | H11 | 107.1° | 121.7° |
| O18 | C17 | N16 | H37 | 157.2° | 179.7° |
| C39 | O30 | C26 | C25 | 95.0° | 150.0° |
| C39 | O30 | C26 | C27 | 138.9° | 90.1° |
| C39 | O30 | C26 | H19 | 21.7° | 30.0° |
| O30 | C39 | C40 | H34 | 179.9° | 0.0° |
| O30 | C39 | C40 | H35 | 60.1° | 120.0° |
| O30 | C39 | C40 | H36 | 59.9° | 120.0° |
| O41 | C39 | O30 | C26 | 11.7° | 0.0° |
| O41 | C39 | C40 | H34 | 0.0° | 180.0° |
| O41 | C39 | C40 | H35 | 120.0° | 60.0° |
| O41 | C39 | C40 | H36 | 120.0° | 60.0° |
| C36 | O34 | C1 | C6 | 102.0° | 180.0° |
| O34 | C36 | H25 | H26 | 120.0° | 120.0° |
| O34 | C36 | H25 | H27 | 120.0° | 119.9° |
| O34 | C36 | H26 | H27 | 120.0° | 119.9° |
| O34 | C1 | C6 | C5 | 180.0° | 179.5° |
| O34 | C1 | C6 | CL33 | 0.0° | 0.5° |
| O34 | C1 | C2 | H12 | 0.0° | 0.5° |
| C1 | O34 | C36 | H25 | 180.0° | 59.9° |
| C1 | O34 | C36 | H26 | 60.0° | 180.0° |
| C1 | O34 | C36 | H27 | 60.0° | 60.0° |
| C1 | C6 | C5 | CL33 | 180.0° | 180.0° |
| C1 | C6 | C5 | N31 | 179.9° | 179.8° |
| C6 | C1 | C2 | H12 | 180.0° | 180.0° |
| O30 | C26 | C25 | C38 | 54.3° | 120.5° |
| O30 | C26 | C25 | C27 | 126.3° | 119.9° |
| O30 | C26 | C25 | H19 | 117.4° | 120.0° |
| O30 | C26 | C27 | H19 | 118.0° | 120.0° |
| O30 | C26 | C25 | C23 | 94.1° | 25.3° |
| O30 | C26 | C25 | O29 | 158.1° | 92.2° |
| O30 | C26 | C27 | C28 | 57.5° | 10.0° |
| O30 | C26 | C27 | H20 | 62.6° | 130.2° |
| O30 | C26 | C27 | H21 | 177.7° | 110.1° |
| C6 | C5 | N31 | C35 | 87.9° | 6.7° |
| C6 | C5 | N31 | C28 | 91.9° | 173.3° |
| C6 | C5 | C4 | H1 | 179.9° | 179.6° |
| C5 | N31 | C35 | C28 | 179.8° | 179.9° |
| N31 | C5 | C6 | CL33 | 0.1° | 0.2° |
| C5 | N31 | C28 | C27 | 0.2° | 179.5° |
| C5 | N31 | C28 | O32 | 179.9° | 0.5° |
| N31 | C5 | C4 | H1 | 0.0° | 0.5° |
| C5 | N31 | C35 | H22 | 180.0° | 54.6° |
| C5 | N31 | C35 | H23 | 60.0° | 174.5° |
| C5 | N31 | C35 | H24 | 60.0° | 65.4° |
| O18 | C19 | C22 | H11 | 116.4° | 118.3° |
| O18 | C19 | C22 | C23 | 153.2° | 154.5° |
| O18 | C19 | C22 | C24 | 31.7° | 34.6° |
| O18 | C19 | C20 | H13 | 165.5° | 179.8° |
| O18 | C19 | C22 | H14 | 86.8° | 85.5° |
| C19 | C22 | C23 | C24 | 122.4° | 120.0° |
| C19 | C22 | C23 | H14 | 119.8° | 120.0° |
| C19 | C22 | C24 | H14 | 118.4° | 120.1° |
| C19 | C22 | C23 | C25 | 104.3° | 167.9° |
| C19 | C22 | C23 | O29 | 173.1° | 125.9° |
| C22 | C19 | C20 | H13 | 40.2° | 59.3° |
| C19 | C22 | C23 | H15 | 42.2° | 22.9° |
| C19 | C22 | C24 | H16 | 180.0° | 51.1° |
| C19 | C22 | C24 | H17 | 60.0° | 171.1° |
| C19 | C22 | C24 | H18 | 60.0° | 68.9° |
| C35 | N31 | C28 | C27 | 179.9° | 0.5° |
| C35 | N31 | C28 | O32 | 0.2° | 179.5° |
| N31 | C35 | H22 | H23 | 120.0° | 120.0° |
| N31 | C35 | H22 | H24 | 120.0° | 120.1° |
| N31 | C35 | H23 | H24 | 120.0° | 120.1° |
| C38 | C25 | C26 | C23 | 148.4° | 145.8° |
| C38 | C25 | C26 | O29 | 147.7° | 147.3° |
| C38 | C25 | C26 | C27 | 72.1° | 0.5° |
| C38 | C25 | C23 | C22 | 0.0° | 0.4° |
| C38 | C25 | C23 | O29 | 105.3° | 106.8° |
| C38 | C25 | C23 | H15 | 146.6° | 145.4° |
| C38 | C25 | C26 | H19 | 171.7° | 119.5° |
| C25 | C38 | H31 | H32 | 120.0° | 120.0° |
| C25 | C38 | H31 | H33 | 120.0° | 120.0° |
| C25 | C38 | H32 | H33 | 120.0° | 120.0° |
| N31 | C28 | C27 | C26 | 113.0° | 133.0° |
| N31 | C28 | C27 | O32 | 179.8° | 180.0° |
| N31 | C28 | C27 | H20 | 7.2° | 106.8° |
| N31 | C28 | C27 | H21 | 126.9° | 12.9° |
| C28 | N31 | C35 | H22 | 0.2° | 125.4° |
| C28 | N31 | C35 | H23 | 120.3° | 5.5° |
| C28 | N31 | C35 | H24 | 119.8° | 114.5° |
| C25 | C26 | C27 | H19 | 116.4° | 120.0° |
| C26 | C25 | C23 | C22 | 147.4° | 144.5° |
| C26 | C25 | C23 | O29 | 107.3° | 108.3° |
| C25 | C26 | C27 | C28 | 176.9° | 109.9° |
| C26 | C25 | C23 | H15 | 0.9° | 0.5° |
| C25 | C26 | C27 | H20 | 62.9° | 10.2° |
| C25 | C26 | C27 | H21 | 56.8° | 129.9° |
| C26 | C25 | C38 | H31 | 180.0° | 171.6° |
| C26 | C25 | C38 | H32 | 60.0° | 51.6° |
| C26 | C25 | C38 | H33 | 60.0° | 68.4° |
| C27 | C26 | C25 | C23 | 139.5° | 145.3° |
| C27 | C26 | C25 | O29 | 75.6° | 147.9° |
| C26 | C27 | C28 | H20 | 120.1° | 120.1° |
| C26 | C27 | C28 | H21 | 120.1° | 120.1° |
| C26 | C27 | C28 | O32 | 66.9° | 47.0° |
| C26 | C27 | H20 | H21 | 119.7° | 119.8° |
| C23 | C22 | C24 | H14 | 117.9° | 120.0° |
| C22 | C23 | C25 | O29 | 105.3° | 107.3° |
| C22 | C23 | C25 | H15 | 146.6° | 145.0° |
| C22 | C23 | O29 | H15 | 143.8° | 148.2° |
| C23 | C22 | C19 | H11 | 36.8° | 36.2° |
| C23 | C22 | C24 | H16 | 56.3° | 68.8° |
| C23 | C22 | C24 | H17 | 176.3° | 51.2° |
| C23 | C22 | C24 | H18 | 63.7° | 171.2° |
| C24 | C22 | C23 | C25 | 133.2° | 72.1° |
| C24 | C22 | C23 | O29 | 64.5° | 5.9° |
| C24 | C22 | C19 | H11 | 84.7° | 83.8° |
| C24 | C22 | C23 | H15 | 80.2° | 142.9° |
| C22 | C24 | H16 | H17 | 120.0° | 120.0° |
| C22 | C24 | H16 | H18 | 120.0° | 120.0° |
| C22 | C24 | H17 | H18 | 120.0° | 120.1° |
| C25 | C23 | O29 | H15 | 104.3° | 105.0° |
| C25 | C23 | C22 | H14 | 15.5° | 48.0° |
| C23 | C25 | C26 | H19 | 23.3° | 94.7° |
| C23 | C25 | C38 | H31 | 32.8° | 42.5° |
| C23 | C25 | C38 | H32 | 152.8° | 162.5° |
| C23 | C25 | C38 | H33 | 87.2° | 77.5° |
| O29 | C25 | C26 | H19 | 40.6° | 27.8° |
| O29 | C25 | C38 | H31 | 32.3° | 23.8° |
| O29 | C25 | C38 | H32 | 87.7° | 96.2° |
| O29 | C25 | C38 | H33 | 152.3° | 143.8° |
| C28 | C27 | C26 | H19 | 60.5° | 130.1° |
| C28 | C27 | H20 | H21 | 119.7° | 119.8° |
| O32 | C28 | C27 | H20 | 173.0° | 73.2° |
| O32 | C28 | C27 | H21 | 53.2° | 167.1° |
| O29 | C23 | C22 | H14 | 53.3° | 114.2° |
| H2 | C11 | C10 | H8 | 179.7° | 158.9° |
| H2 | C11 | C12 | H9 | 180.0° | 178.0° |
| H5 | C9 | H6 | H7 | 120.0° | 119.9° |
| H9 | C12 | C13 | H10 | 143.3° | 68.1° |
| H11 | C19 | C20 | H13 | 76.3° | 59.1° |
| H11 | C19 | C22 | H14 | 156.8° | 156.1° |
| H14 | C22 | C23 | H15 | 162.0° | 97.1° |
| H14 | C22 | C24 | H16 | 61.6° | 171.1° |
| H14 | C22 | C24 | H17 | 58.4° | 68.9° |
| H14 | C22 | C24 | H18 | 178.4° | 51.2° |
| H16 | C24 | H17 | H18 | 120.0° | 120.0° |
| H19 | C26 | C27 | H20 | 179.4° | 109.8° |
| H19 | C26 | C27 | H21 | 59.6° | 9.9° |
| H22 | C35 | H23 | H24 | 120.0° | 120.0° |
| H25 | C36 | H26 | H27 | 120.0° | 120.0° |
| H28 | C37 | H29 | H30 | 120.0° | 120.0° |
| H31 | C38 | H32 | H33 | 120.0° | 120.0° |
| H34 | C40 | H35 | H36 | 120.0° | 120.0° |
