A1H84
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O43 | C46 | sing | 1.43Å | 1.43Å | |
| O43 | C45 | sing | 1.43Å | 1.43Å | |
| C46 | C47 | sing | 1.53Å | 1.51Å | |
| C45 | C44 | sing | 1.53Å | 1.51Å | |
| C47 | N43 | sing | 1.47Å | 1.47Å | |
| C44 | N43 | sing | 1.47Å | 1.47Å | |
| O20 | C20 | doub | 1.21Å | 1.23Å | |
| N43 | C43 | sing | 1.47Å | 1.47Å | |
| C19 | C18 | sing | 1.53Å | 1.50Å | |
| C19 | N20 | sing | 1.46Å | 1.46Å | |
| O18 | C18 | sing | 1.43Å | 1.42Å | |
| C20 | N20 | sing | 1.35Å | 1.33Å | |
| C20 | C21 | sing | 1.51Å | 1.51Å | |
| C43 | C42 | sing | 1.53Å | 1.53Å | |
| C21 | C22 | sing | 1.53Å | 1.52Å | |
| C42 | N42 | sing | 1.46Å | 1.47Å | |
| C22 | C23 | sing | 1.53Å | 1.51Å | |
| C33 | C34 | doub | 1.37Å | 1.38Å | Aromatic |
| C33 | C32 | sing | 1.39Å | 1.38Å | Aromatic |
| C23 | O24 | sing | 1.43Å | 1.44Å | |
| N42 | C32 | sing | 1.38Å | 1.38Å | Aromatic |
| N42 | C30 | sing | 1.36Å | 1.37Å | Aromatic |
| C34 | C35 | sing | 1.40Å | 1.40Å | Aromatic |
| C32 | C31 | doub | 1.41Å | 1.39Å | Aromatic |
| C25 | C26 | doub | 1.38Å | 1.38Å | Aromatic |
| C25 | C24 | sing | 1.39Å | 1.38Å | Aromatic |
| C38 | C37 | sing | 1.51Å | 1.48Å | |
| C26 | C27 | sing | 1.38Å | 1.39Å | Aromatic |
| O24 | C24 | sing | 1.36Å | 1.37Å | |
| C30 | C29 | sing | 1.51Å | 1.49Å | |
| C30 | N31 | doub | 1.30Å | 1.32Å | Aromatic |
| C24 | C49 | doub | 1.39Å | 1.39Å | Aromatic |
| C29 | C28 | sing | 1.53Å | 1.52Å | |
| C35 | C36 | sing | 1.48Å | 1.48Å | |
| C35 | C41 | doub | 1.39Å | 1.40Å | Aromatic |
| C31 | N31 | sing | 1.36Å | 1.39Å | Aromatic |
| C31 | C41 | sing | 1.40Å | 1.39Å | Aromatic |
| C37 | C36 | doub | 1.37Å | 1.36Å | Aromatic |
| C37 | O37 | sing | 1.34Å | 1.34Å | Aromatic |
| C27 | C28 | sing | 1.51Å | 1.51Å | |
| C27 | C48 | doub | 1.38Å | 1.39Å | Aromatic |
| C36 | C39 | sing | 1.42Å | 1.41Å | Aromatic |
| O37 | N37 | sing | 1.21Å | 1.42Å | Aromatic |
| C49 | C48 | sing | 1.38Å | 1.38Å | Aromatic |
| C39 | N37 | doub | 1.30Å | 1.30Å | Aromatic |
| C39 | C40 | sing | 1.51Å | 1.49Å | |
| O18 | C17 | sing | 1.43Å | 28.58Å | |
| C17 | C16 | sing | 1.53Å | 0.00Å | |
| C16 | O16 | sing | 1.43Å | 0.00Å | |
| O16 | C15 | sing | 1.43Å | 0.00Å | |
| C15 | C14 | sing | 1.53Å | 0.00Å | |
| C14 | O14 | sing | 1.43Å | 0.00Å | |
| C28 | H1 | sing | 1.09Å | 1.10Å | |
| C28 | H2 | sing | 1.09Å | 1.10Å | |
| C29 | H3 | sing | 1.09Å | 1.10Å | |
| C29 | H4 | sing | 1.09Å | 1.10Å | |
| C26 | H5 | sing | 1.08Å | 1.08Å | |
| C25 | H6 | sing | 1.08Å | 1.08Å | |
| C23 | H7 | sing | 1.09Å | 1.10Å | |
| C23 | H8 | sing | 1.09Å | 1.10Å | |
| C22 | H10 | sing | 1.09Å | 1.10Å | |
| C22 | H11 | sing | 1.09Å | 1.10Å | |
| C21 | H16 | sing | 1.09Å | 1.10Å | |
| C21 | H17 | sing | 1.09Å | 1.10Å | |
| C33 | H18 | sing | 1.08Å | 1.08Å | |
| C34 | H19 | sing | 1.08Å | 1.08Å | |
| C38 | H20 | sing | 1.09Å | 1.10Å | |
| C38 | H21 | sing | 1.09Å | 1.10Å | |
| C38 | H22 | sing | 1.09Å | 1.10Å | |
| C40 | H23 | sing | 1.09Å | 1.10Å | |
| C40 | H24 | sing | 1.09Å | 1.10Å | |
| C40 | H25 | sing | 1.09Å | 1.10Å | |
| C41 | H26 | sing | 1.08Å | 1.08Å | |
| C42 | H27 | sing | 1.09Å | 1.10Å | |
| C42 | H28 | sing | 1.09Å | 1.10Å | |
| C43 | H29 | sing | 1.09Å | 1.10Å | |
| C43 | H30 | sing | 1.09Å | 1.10Å | |
| C44 | H31 | sing | 1.09Å | 1.10Å | |
| C44 | H32 | sing | 1.09Å | 1.10Å | |
| C45 | H33 | sing | 1.09Å | 1.10Å | |
| C45 | H34 | sing | 1.09Å | 1.10Å | |
| C46 | H35 | sing | 1.09Å | 1.10Å | |
| C46 | H36 | sing | 1.09Å | 1.10Å | |
| C47 | H37 | sing | 1.09Å | 1.10Å | |
| C47 | H38 | sing | 1.09Å | 1.10Å | |
| C48 | H39 | sing | 1.08Å | 1.08Å | |
| C49 | H40 | sing | 1.08Å | 1.08Å | |
| O14 | C13 | sing | 1.43Å | 0.00Å | |
| C13 | C12 | sing | 1.53Å | 0.00Å | |
| C12 | N12 | sing | 1.47Å | 0.00Å | |
| N12 | C11 | sing | 1.35Å | 0.00Å | |
| C11 | O11 | doub | 1.21Å | 0.00Å | |
| C11 | C10 | sing | 1.51Å | 0.00Å | |
| C10 | O10 | sing | 1.43Å | 0.00Å | |
| O10 | CA | sing | 1.36Å | 0.00Å | |
| CD | CC | doub | 1.39Å | 0.00Å | Aromatic |
| CC | CB | sing | 1.38Å | 0.00Å | Aromatic |
| CB | CA | doub | 1.39Å | 0.00Å | Aromatic |
| CA | CE | sing | 1.39Å | 0.00Å | Aromatic |
| CD | CF | sing | 1.38Å | 0.00Å | Aromatic |
| CE | CF | doub | 1.41Å | 0.00Å | Aromatic |
| CF | CG | sing | 1.48Å | 0.00Å | |
| CG | NG | sing | 1.35Å | 0.00Å | |
| NG | CH | sing | 1.35Å | 0.00Å | |
| CH | CE | sing | 1.47Å | 0.00Å | |
| CD | H56 | sing | 1.08Å | 0.00Å | |
| CC | H57 | sing | 1.08Å | 0.00Å | |
| CB | H58 | sing | 1.08Å | 0.00Å | |
| NG | CI | sing | 1.46Å | 0.00Å | |
| CG | OG | doub | 1.21Å | 0.00Å | |
| CH | OH | doub | 1.21Å | 0.00Å | |
| N20 | H9 | sing | 0.97Å | 1.00Å | |
| C18 | H12 | sing | 1.09Å | 1.10Å | |
| C18 | H13 | sing | 1.09Å | 1.10Å | |
| C19 | H14 | sing | 1.09Å | 1.10Å | |
| C19 | H15 | sing | 1.09Å | 1.10Å | |
| C17 | H41 | sing | 1.09Å | 0.00Å | |
| C17 | H42 | sing | 1.09Å | 0.00Å | |
| C16 | H43 | sing | 1.09Å | 0.00Å | |
| C16 | H44 | sing | 1.09Å | 0.00Å | |
| C15 | H45 | sing | 1.09Å | 0.00Å | |
| C15 | H46 | sing | 1.09Å | 0.00Å | |
| C14 | H47 | sing | 1.09Å | 0.00Å | |
| C14 | H48 | sing | 1.09Å | 0.00Å | |
| C13 | H49 | sing | 1.09Å | 0.00Å | |
| C13 | H50 | sing | 1.09Å | 0.00Å | |
| C12 | H51 | sing | 1.09Å | 0.00Å | |
| C12 | H52 | sing | 1.09Å | 0.00Å | |
| N12 | H53 | sing | 0.97Å | 0.00Å | |
| C10 | H54 | sing | 1.09Å | 0.00Å | |
| C10 | H55 | sing | 1.09Å | 0.00Å | |
| CI | CJ | sing | 1.51Å | 0.00Å | |
| CJ | NK | sing | 1.34Å | 0.00Å | |
| NK | CL | sing | 1.34Å | 0.00Å | |
| CL | CM | sing | 1.51Å | 0.00Å | |
| CM | CN | sing | 1.53Å | 0.00Å | |
| CN | CI | sing | 1.53Å | 0.00Å | |
| CJ | OJ | doub | 1.21Å | 0.00Å | |
| CL | OL | doub | 1.21Å | 0.00Å | |
| CI | H59 | sing | 1.09Å | 0.00Å | |
| NK | H60 | sing | 0.97Å | 0.00Å | |
| CM | H61 | sing | 1.09Å | 0.00Å | |
| CM | H62 | sing | 1.09Å | 0.00Å | |
| CN | H63 | sing | 1.09Å | 0.00Å | |
| CN | H64 | sing | 1.09Å | 0.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C46 | O43 | C45 | 110.4° | 113.7° |
| O43 | C46 | C47 | 111.7° | 109.2° |
| O43 | C46 | H35 | 108.9° | 109.5° |
| O43 | C46 | H36 | 108.9° | 109.5° |
| O43 | C45 | C44 | 111.9° | 109.2° |
| O43 | C45 | H33 | 108.9° | 109.5° |
| O43 | C45 | H34 | 108.9° | 109.5° |
| C46 | C47 | N43 | 110.5° | 109.3° |
| C47 | C46 | H35 | 108.9° | 109.5° |
| C47 | C46 | H36 | 108.9° | 109.6° |
| C46 | C47 | H37 | 109.2° | 109.5° |
| C46 | C47 | H38 | 109.2° | 109.4° |
| C45 | C44 | N43 | 110.1° | 109.3° |
| C45 | C44 | H31 | 109.3° | 109.5° |
| C45 | C44 | H32 | 109.3° | 109.5° |
| C44 | C45 | H33 | 108.8° | 109.5° |
| C44 | C45 | H34 | 108.9° | 109.5° |
| C47 | N43 | C44 | 109.3° | 110.8° |
| C47 | N43 | C43 | 111.2° | 111.0° |
| N43 | C47 | H37 | 109.2° | 109.5° |
| N43 | C47 | H38 | 109.2° | 109.6° |
| C44 | N43 | C43 | 110.4° | 111.0° |
| N43 | C44 | H31 | 109.3° | 109.5° |
| N43 | C44 | H32 | 109.3° | 109.5° |
| O20 | C20 | N20 | 122.8° | 120.0° |
| O20 | C20 | C21 | 121.6° | 120.0° |
| N43 | C43 | C42 | 115.9° | 109.4° |
| N43 | C43 | H29 | 107.9° | 109.5° |
| N43 | C43 | H30 | 107.9° | 109.5° |
| C18 | C19 | N20 | 111.7° | 109.5° |
| C19 | C18 | O18 | 109.3° | 109.5° |
| C19 | C18 | H12 | 109.5° | 109.5° |
| C19 | C18 | H13 | 109.5° | 109.4° |
| C18 | C19 | H14 | 108.9° | 109.4° |
| C18 | C19 | H15 | 108.9° | 109.5° |
| C19 | N20 | C20 | 123.0° | 120.0° |
| C19 | N20 | H9 | 118.5° | 120.0° |
| N20 | C19 | H14 | 108.9° | 109.5° |
| N20 | C19 | H15 | 108.9° | 109.5° |
| C18 | O18 | C17 | 44.4° | 114.0° |
| O18 | C18 | H12 | 109.5° | 109.5° |
| O18 | C18 | H13 | 109.5° | 109.5° |
| N20 | C20 | C21 | 115.6° | 120.0° |
| C20 | N20 | H9 | 118.5° | 120.0° |
| C20 | C21 | C22 | 114.1° | 109.5° |
| C20 | C21 | H16 | 108.3° | 109.5° |
| C20 | C21 | H17 | 108.3° | 109.4° |
| C43 | C42 | N42 | 111.2° | 109.4° |
| C43 | C42 | H27 | 109.0° | 109.4° |
| C43 | C42 | H28 | 109.1° | 109.4° |
| C42 | C43 | H29 | 107.8° | 109.5° |
| C42 | C43 | H30 | 107.8° | 109.5° |
| C21 | C22 | C23 | 112.7° | 109.5° |
| C21 | C22 | H10 | 108.6° | 109.5° |
| C21 | C22 | H11 | 108.6° | 109.5° |
| C22 | C21 | H16 | 108.3° | 109.5° |
| C22 | C21 | H17 | 108.3° | 109.5° |
| C42 | N42 | C32 | 125.1° | 126.3° |
| C42 | N42 | C30 | 127.9° | 126.4° |
| N42 | C42 | H27 | 109.0° | 109.5° |
| N42 | C42 | H28 | 109.0° | 109.5° |
| C22 | C23 | O24 | 109.2° | 109.5° |
| C22 | C23 | H7 | 109.5° | 109.4° |
| C22 | C23 | H8 | 109.5° | 109.5° |
| C23 | C22 | H10 | 108.6° | 109.5° |
| C23 | C22 | H11 | 108.7° | 109.4° |
| C34 | C33 | C32 | 117.8° | 120.1° |
| C33 | C34 | C35 | 121.2° | 120.5° |
| C34 | C33 | H18 | 121.1° | 120.0° |
| C33 | C34 | H19 | 119.4° | 119.7° |
| C33 | C32 | N42 | 132.2° | 133.9° |
| C33 | C32 | C31 | 122.3° | 120.1° |
| C32 | C33 | H18 | 121.1° | 119.9° |
| C23 | O24 | C24 | 117.5° | 117.0° |
| O24 | C23 | H7 | 109.6° | 109.5° |
| O24 | C23 | H8 | 109.5° | 109.5° |
| C32 | N42 | C30 | 106.7° | 107.3° |
| N42 | C32 | C31 | 105.5° | 105.9° |
| N42 | C30 | C29 | 122.5° | 124.9° |
| N42 | C30 | N31 | 112.7° | 110.1° |
| C34 | C35 | C36 | 119.6° | 119.8° |
| C34 | C35 | C41 | 120.3° | 120.3° |
| C35 | C34 | H19 | 119.4° | 119.8° |
| C32 | C31 | N31 | 110.1° | 107.0° |
| C32 | C31 | C41 | 119.6° | 119.5° |
| C26 | C25 | C24 | 119.8° | 119.9° |
| C25 | C26 | C27 | 121.2° | 120.1° |
| C25 | C26 | H5 | 119.4° | 119.9° |
| C26 | C25 | H6 | 120.1° | 120.0° |
| C25 | C24 | O24 | 118.6° | 120.0° |
| C25 | C24 | C49 | 119.8° | 119.9° |
| C24 | C25 | H6 | 120.1° | 120.1° |
| C38 | C37 | C36 | 134.1° | 126.9° |
| C38 | C37 | O37 | 116.6° | 126.9° |
| C37 | C38 | H20 | 109.5° | 109.5° |
| C37 | C38 | H21 | 109.5° | 109.5° |
| C37 | C38 | H22 | 109.5° | 109.4° |
| C26 | C27 | C28 | 120.7° | 119.9° |
| C26 | C27 | C48 | 118.2° | 120.1° |
| C27 | C26 | H5 | 119.4° | 120.0° |
| O24 | C24 | C49 | 121.6° | 120.1° |
| C29 | C30 | N31 | 124.6° | 125.0° |
| C30 | C29 | C28 | 112.6° | 109.5° |
| C30 | C29 | H3 | 108.7° | 109.5° |
| C30 | C29 | H4 | 108.7° | 109.5° |
| C30 | N31 | C31 | 105.0° | 109.7° |
| C24 | C49 | C48 | 119.8° | 119.9° |
| C24 | C49 | H40 | 120.1° | 120.0° |
| C29 | C28 | C27 | 110.9° | 109.5° |
| C29 | C28 | H1 | 109.1° | 109.5° |
| C29 | C28 | H2 | 109.1° | 109.5° |
| C28 | C29 | H3 | 108.7° | 109.4° |
| C28 | C29 | H4 | 108.7° | 109.5° |
| C36 | C35 | C41 | 120.0° | 119.9° |
| C35 | C36 | C37 | 126.4° | 128.1° |
| C35 | C36 | C39 | 128.5° | 128.2° |
| C35 | C41 | C31 | 118.8° | 119.5° |
| C35 | C41 | H26 | 120.6° | 120.2° |
| N31 | C31 | C41 | 130.3° | 133.5° |
| C31 | C41 | H26 | 120.6° | 120.2° |
| C36 | C37 | O37 | 109.4° | 106.2° |
| C37 | C36 | C39 | 105.0° | 103.6° |
| C37 | O37 | N37 | 108.4° | 111.8° |
| C28 | C27 | C48 | 121.1° | 120.0° |
| C27 | C28 | H1 | 109.1° | 109.5° |
| C27 | C28 | H2 | 109.1° | 109.5° |
| C27 | C48 | C49 | 121.2° | 120.1° |
| C27 | C48 | H39 | 119.4° | 119.9° |
| C36 | C39 | N37 | 111.2° | 106.3° |
| C36 | C39 | C40 | 128.5° | 126.8° |
| O37 | N37 | C39 | 106.0° | 112.0° |
| C49 | C48 | H39 | 119.4° | 120.0° |
| C48 | C49 | H40 | 120.1° | 120.0° |
| N37 | C39 | C40 | 120.2° | 126.9° |
| C39 | C40 | H23 | 109.5° | 109.4° |
| C39 | C40 | H24 | 109.5° | 109.5° |
| C39 | C40 | H25 | 109.5° | 109.5° |
| O18 | C17 | C16 | 90.0° | 109.5° |
| O18 | C17 | H41 | 90.0° | 109.5° |
| O18 | C17 | H42 | 90.0° | 109.4° |
| C17 | C16 | O16 | 90.0° | 109.4° |
| C16 | C17 | H41 | 90.0° | 109.5° |
| C16 | C17 | H42 | 90.0° | 109.5° |
| C17 | C16 | H43 | 90.0° | 109.5° |
| C17 | C16 | H44 | 90.0° | 109.5° |
| C16 | O16 | C15 | 90.0° | 114.0° |
| O16 | C16 | H43 | 90.0° | 109.5° |
| O16 | C16 | H44 | 90.0° | 109.5° |
| O16 | C15 | C14 | 90.0° | 109.4° |
| O16 | C15 | H45 | 90.0° | 109.4° |
| O16 | C15 | H46 | 90.0° | 109.5° |
| C15 | C14 | O14 | 90.0° | 109.5° |
| C14 | C15 | H45 | 90.0° | 109.5° |
| C14 | C15 | H46 | 90.0° | 109.5° |
| C15 | C14 | H47 | 90.0° | 109.4° |
| C15 | C14 | H48 | 90.0° | 109.4° |
| C14 | O14 | C13 | 90.0° | 114.0° |
| O14 | C14 | H47 | 90.0° | 109.5° |
| O14 | C14 | H48 | 90.0° | 109.5° |
| H1 | C28 | H2 | 109.5° | 109.4° |
| H3 | C29 | H4 | 109.5° | 109.4° |
| H7 | C23 | H8 | 109.5° | 109.5° |
| H10 | C22 | H11 | 109.5° | 109.4° |
| H16 | C21 | H17 | 109.5° | 109.5° |
| H20 | C38 | H21 | 109.5° | 109.5° |
| H20 | C38 | H22 | 109.4° | 109.5° |
| H21 | C38 | H22 | 109.5° | 109.4° |
| H23 | C40 | H24 | 109.5° | 109.5° |
| H23 | C40 | H25 | 109.5° | 109.5° |
| H24 | C40 | H25 | 109.4° | 109.5° |
| H27 | C42 | H28 | 109.4° | 109.5° |
| H29 | C43 | H30 | 109.5° | 109.5° |
| H31 | C44 | H32 | 109.4° | 109.5° |
| H33 | C45 | H34 | 109.5° | 109.6° |
| H35 | C46 | H36 | 109.5° | 109.5° |
| H37 | C47 | H38 | 109.5° | 109.5° |
| O14 | C13 | C12 | 90.0° | 109.5° |
| O14 | C13 | H49 | 90.0° | 109.5° |
| O14 | C13 | H50 | 90.0° | 109.5° |
| C13 | C12 | N12 | 90.0° | 109.5° |
| C12 | C13 | H49 | 90.0° | 109.5° |
| C12 | C13 | H50 | 90.0° | 109.4° |
| C13 | C12 | H51 | 90.0° | 109.5° |
| C13 | C12 | H52 | 90.0° | 109.5° |
| C12 | N12 | C11 | 90.0° | 120.0° |
| N12 | C12 | H51 | 90.0° | 109.5° |
| N12 | C12 | H52 | 90.0° | 109.4° |
| C12 | N12 | H53 | 90.0° | 119.9° |
| N12 | C11 | O11 | 90.0° | 120.0° |
| N12 | C11 | C10 | 90.0° | 120.0° |
| C11 | N12 | H53 | 90.0° | 120.0° |
| O11 | C11 | C10 | 90.0° | 120.0° |
| C11 | C10 | O10 | 90.0° | 109.5° |
| C11 | C10 | H54 | 90.0° | 109.5° |
| C11 | C10 | H55 | 90.0° | 109.4° |
| C10 | O10 | CA | 90.0° | 117.0° |
| O10 | C10 | H54 | 90.0° | 109.5° |
| O10 | C10 | H55 | 90.0° | 109.5° |
| O10 | CA | CB | 90.0° | 120.2° |
| O10 | CA | CE | 90.0° | 120.2° |
| CD | CC | CB | 90.0° | 120.6° |
| CC | CD | CF | 90.0° | 119.9° |
| CC | CD | H56 | 90.0° | 120.1° |
| CD | CC | H57 | 90.0° | 119.7° |
| CC | CB | CA | 90.0° | 120.4° |
| CB | CC | H57 | 90.0° | 119.7° |
| CC | CB | H58 | 90.0° | 119.8° |
| CB | CA | CE | 90.0° | 119.6° |
| CA | CB | H58 | 90.0° | 119.9° |
| CA | CE | CF | 90.0° | 119.8° |
| CA | CE | CH | 90.0° | 134.3° |
| CD | CF | CE | 90.0° | 119.8° |
| CD | CF | CG | 90.0° | 134.3° |
| CF | CD | H56 | 90.0° | 120.0° |
| CE | CF | CG | 90.0° | 105.9° |
| CF | CE | CH | 90.0° | 105.9° |
| CF | CG | NG | 90.0° | 108.5° |
| CF | CG | OG | 90.0° | 125.7° |
| CG | NG | CH | 90.0° | 111.1° |
| CG | NG | CI | 90.0° | 124.5° |
| NG | CG | OG | 90.0° | 125.8° |
| NG | CH | CE | 90.0° | 108.6° |
| CH | NG | CI | 90.0° | 124.4° |
| NG | CH | OH | 90.0° | 125.7° |
| CE | CH | OH | 90.0° | 125.7° |
| NG | CI | CJ | 90.0° | 109.5° |
| NG | CI | CN | 90.0° | 109.5° |
| NG | CI | H59 | 90.0° | 109.6° |
| H12 | C18 | H13 | 109.5° | 109.4° |
| H14 | C19 | H15 | 109.5° | 109.4° |
| H41 | C17 | H42 | 90.0° | 109.5° |
| H43 | C16 | H44 | 90.0° | 109.5° |
| H45 | C15 | H46 | 90.0° | 109.5° |
| H47 | C14 | H48 | 90.0° | 109.5° |
| H49 | C13 | H50 | 90.0° | 109.4° |
| H51 | C12 | H52 | 90.0° | 109.5° |
| H54 | C10 | H55 | 90.0° | 109.5° |
| CI | CJ | NK | 90.0° | 121.3° |
| CJ | CI | CN | 90.0° | 109.2° |
| CI | CJ | OJ | 90.0° | 119.3° |
| CJ | CI | H59 | 90.0° | 109.5° |
| CJ | NK | CL | 90.0° | 122.6° |
| NK | CJ | OJ | 90.0° | 119.4° |
| CJ | NK | H60 | 90.0° | 118.7° |
| NK | CL | CM | 90.0° | 121.3° |
| NK | CL | OL | 90.0° | 119.4° |
| CL | NK | H60 | 90.0° | 118.7° |
| CL | CM | CN | 90.0° | 109.2° |
| CM | CL | OL | 90.0° | 119.4° |
| CL | CM | H61 | 90.0° | 109.6° |
| CL | CM | H62 | 90.0° | 109.5° |
| CM | CN | CI | 90.0° | 108.5° |
| CN | CM | H61 | 90.0° | 109.5° |
| CN | CM | H62 | 90.0° | 109.5° |
| CM | CN | H63 | 90.0° | 109.6° |
| CM | CN | H64 | 90.0° | 109.6° |
| CN | CI | H59 | 90.0° | 109.5° |
| CI | CN | H63 | 90.0° | 109.7° |
| CI | CN | H64 | 90.0° | 109.6° |
| H61 | CM | H62 | 90.0° | 109.5° |
| H63 | CN | H64 | 90.0° | 109.8° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O43 | C46 | C47 | H35 | 120.3° | 120.0° |
| O43 | C46 | C47 | H36 | 120.3° | 119.9° |
| C46 | O43 | C45 | C44 | 8.6° | 58.7° |
| O43 | C46 | C47 | N43 | 51.8° | 56.9° |
| C46 | O43 | C45 | H33 | 128.9° | 178.6° |
| C46 | O43 | C45 | H34 | 111.8° | 61.2° |
| O43 | C46 | H35 | H36 | 119.0° | 120.1° |
| O43 | C46 | C47 | H37 | 171.9° | 63.1° |
| O43 | C46 | C47 | H38 | 68.4° | 176.8° |
| C45 | O43 | C46 | C47 | 61.3° | 58.7° |
| O43 | C45 | C44 | H33 | 120.4° | 119.9° |
| O43 | C45 | C44 | H34 | 120.4° | 119.9° |
| O43 | C45 | C44 | N43 | 52.4° | 56.8° |
| O43 | C45 | C44 | H31 | 172.5° | 176.8° |
| O43 | C45 | C44 | H32 | 67.7° | 63.1° |
| O43 | C45 | H33 | H34 | 118.9° | 120.1° |
| C45 | O43 | C46 | H35 | 59.0° | 61.3° |
| C45 | O43 | C46 | H36 | 178.4° | 178.7° |
| C46 | C47 | N43 | H37 | 120.1° | 119.9° |
| C46 | C47 | N43 | H38 | 120.1° | 119.9° |
| C46 | C47 | N43 | C44 | 9.6° | 58.6° |
| C46 | C47 | N43 | C43 | 131.8° | 177.6° |
| C47 | C46 | H35 | H36 | 119.0° | 120.2° |
| C46 | C47 | H37 | H38 | 119.5° | 120.0° |
| C45 | C44 | N43 | C47 | 60.5° | 58.6° |
| C45 | C44 | N43 | H31 | 120.1° | 120.0° |
| C45 | C44 | N43 | H32 | 120.1° | 119.9° |
| C45 | C44 | N43 | C43 | 176.8° | 177.6° |
| C45 | C44 | H31 | H32 | 119.7° | 120.1° |
| C44 | C45 | H33 | H34 | 118.9° | 120.1° |
| C47 | N43 | C44 | C43 | 122.7° | 123.8° |
| C47 | N43 | C43 | C42 | 70.3° | 66.4° |
| C47 | N43 | C43 | H29 | 168.8° | 53.6° |
| C47 | N43 | C43 | H30 | 50.6° | 173.7° |
| C47 | N43 | C44 | H31 | 179.4° | 178.6° |
| C47 | N43 | C44 | H32 | 59.6° | 61.3° |
| N43 | C47 | C46 | H35 | 68.6° | 63.1° |
| N43 | C47 | C46 | H36 | 172.1° | 176.8° |
| N43 | C47 | H37 | H38 | 119.5° | 120.2° |
| C44 | N43 | C43 | C42 | 168.1° | 170.0° |
| C44 | N43 | C43 | H29 | 47.2° | 70.0° |
| C44 | N43 | C43 | H30 | 70.9° | 50.0° |
| N43 | C44 | H31 | H32 | 119.7° | 120.1° |
| N43 | C44 | C45 | H33 | 68.0° | 176.7° |
| N43 | C44 | C45 | H34 | 172.8° | 63.1° |
| C44 | N43 | C47 | H37 | 110.6° | 61.3° |
| C44 | N43 | C47 | H38 | 129.7° | 178.5° |
| O20 | C20 | N20 | C19 | 22.3° | 0.0° |
| O20 | C20 | N20 | C21 | 179.4° | 180.0° |
| O20 | C20 | C21 | C22 | 71.3° | 0.0° |
| O20 | C20 | C21 | H16 | 49.4° | 120.0° |
| O20 | C20 | C21 | H17 | 168.1° | 120.0° |
| O20 | C20 | N20 | H9 | 157.7° | 180.0° |
| N43 | C43 | C42 | H29 | 120.9° | 120.0° |
| N43 | C43 | C42 | H30 | 120.9° | 120.0° |
| N43 | C43 | C42 | N42 | 175.3° | 180.0° |
| N43 | C43 | C42 | H27 | 55.0° | 60.0° |
| N43 | C43 | C42 | H28 | 64.4° | 60.0° |
| N43 | C43 | H29 | H30 | 117.1° | 120.0° |
| C43 | N43 | C44 | H31 | 56.7° | 57.6° |
| C43 | N43 | C44 | H32 | 63.1° | 62.5° |
| C43 | N43 | C47 | H37 | 11.7° | 62.5° |
| C43 | N43 | C47 | H38 | 108.0° | 57.7° |
| C18 | C19 | N20 | H14 | 120.3° | 120.0° |
| C18 | C19 | N20 | H15 | 120.3° | 120.1° |
| C19 | C18 | O18 | H12 | 120.0° | 120.1° |
| C19 | C18 | O18 | H13 | 120.0° | 120.0° |
| C18 | C19 | N20 | C20 | 139.8° | 180.0° |
| C19 | C18 | O18 | C17 | 144.2° | 180.0° |
| C18 | C19 | N20 | H9 | 40.3° | 0.0° |
| C19 | C18 | H12 | H13 | 120.1° | 119.9° |
| C18 | C19 | H14 | H15 | 118.9° | 120.0° |
| N20 | C19 | C18 | O18 | 151.6° | 65.0° |
| C19 | N20 | C20 | H9 | 180.0° | 180.0° |
| C19 | N20 | C20 | C21 | 157.1° | 180.0° |
| N20 | C19 | C18 | H12 | 88.4° | 175.0° |
| N20 | C19 | C18 | H13 | 31.6° | 55.0° |
| N20 | C19 | H14 | H15 | 119.0° | 120.0° |
| C18 | O18 | C17 | C16 | 90.0° | 180.0° |
| O18 | C18 | H12 | H13 | 120.1° | 120.0° |
| O18 | C18 | C19 | H14 | 88.0° | 55.1° |
| O18 | C18 | C19 | H15 | 31.3° | 174.9° |
| C18 | O18 | C17 | H41 | 90.0° | 59.9° |
| C18 | O18 | C17 | H42 | 90.0° | 60.0° |
| N20 | C20 | C21 | C22 | 109.3° | 180.0° |
| N20 | C20 | C21 | H16 | 130.0° | 60.0° |
| N20 | C20 | C21 | H17 | 11.4° | 60.0° |
| C20 | N20 | C19 | H14 | 19.4° | 60.0° |
| C20 | N20 | C19 | H15 | 99.9° | 59.9° |
| C20 | C21 | C22 | H16 | 120.7° | 120.0° |
| C20 | C21 | C22 | H17 | 120.7° | 119.9° |
| C20 | C21 | C22 | C23 | 17.1° | 180.0° |
| C20 | C21 | C22 | H10 | 103.4° | 60.0° |
| C20 | C21 | C22 | H11 | 137.6° | 60.0° |
| C20 | C21 | H16 | H17 | 117.9° | 120.0° |
| C21 | C20 | N20 | H9 | 22.9° | 0.0° |
| C43 | C42 | N42 | H27 | 120.3° | 120.0° |
| C43 | C42 | N42 | H28 | 120.3° | 120.0° |
| C43 | C42 | N42 | C32 | 72.3° | 90.0° |
| C43 | C42 | N42 | C30 | 100.7° | 90.0° |
| C43 | C42 | H27 | H28 | 119.2° | 120.0° |
| C42 | C43 | H29 | H30 | 117.1° | 120.0° |
| C21 | C22 | C23 | H10 | 120.5° | 120.1° |
| C21 | C22 | C23 | H11 | 120.5° | 120.0° |
| C21 | C22 | C23 | O24 | 104.5° | 180.0° |
| C21 | C22 | C23 | H7 | 15.5° | 60.0° |
| C21 | C22 | C23 | H8 | 135.6° | 59.9° |
| C21 | C22 | H10 | H11 | 118.5° | 120.0° |
| C22 | C21 | H16 | H17 | 117.9° | 120.0° |
| C42 | N42 | C32 | C33 | 10.0° | 0.2° |
| C42 | N42 | C32 | C30 | 174.2° | 180.0° |
| C42 | N42 | C32 | C31 | 172.3° | 179.8° |
| C42 | N42 | C30 | C29 | 12.6° | 0.0° |
| C42 | N42 | C30 | N31 | 171.3° | 179.8° |
| N42 | C42 | H27 | H28 | 119.1° | 120.1° |
| N42 | C42 | C43 | H29 | 63.7° | 60.0° |
| N42 | C42 | C43 | H30 | 54.4° | 60.0° |
| C22 | C23 | O24 | H7 | 120.0° | 119.9° |
| C22 | C23 | O24 | H8 | 120.0° | 120.0° |
| C22 | C23 | O24 | C24 | 171.3° | 180.0° |
| C22 | C23 | H7 | H8 | 120.1° | 120.0° |
| C23 | C22 | H10 | H11 | 118.5° | 119.9° |
| C23 | C22 | C21 | H16 | 137.8° | 60.0° |
| C23 | C22 | C21 | H17 | 103.6° | 60.1° |
| C34 | C33 | C32 | H18 | 180.0° | 180.0° |
| C34 | C33 | C32 | N42 | 176.7° | 180.0° |
| C33 | C34 | C35 | H19 | 180.0° | 180.0° |
| C34 | C33 | C32 | C31 | 0.6° | 0.0° |
| C33 | C34 | C35 | C36 | 176.6° | 180.0° |
| C33 | C34 | C35 | C41 | 0.5° | 0.2° |
| C33 | C32 | N42 | C31 | 177.7° | 180.0° |
| C33 | C32 | N42 | C30 | 175.7° | 179.8° |
| C32 | C33 | C34 | C35 | 0.4° | 0.0° |
| C33 | C32 | C31 | N31 | 177.3° | 180.0° |
| C33 | C32 | C31 | C41 | 0.1° | 0.2° |
| C32 | C33 | C34 | H19 | 179.6° | 180.0° |
| C23 | O24 | C24 | C25 | 8.1° | 180.0° |
| C23 | O24 | C24 | C49 | 171.8° | 0.0° |
| O24 | C23 | H7 | H8 | 120.1° | 120.1° |
| O24 | C23 | C22 | H10 | 135.0° | 59.9° |
| O24 | C23 | C22 | H11 | 16.0° | 60.0° |
| C32 | N42 | C30 | C29 | 173.4° | 180.0° |
| C32 | N42 | C30 | N31 | 2.7° | 0.2° |
| N42 | C32 | C31 | N31 | 0.7° | 0.0° |
| N42 | C32 | C31 | C41 | 178.1° | 179.9° |
| N42 | C32 | C33 | H18 | 3.3° | 0.1° |
| C32 | N42 | C42 | H27 | 48.0° | 30.0° |
| C32 | N42 | C42 | H28 | 167.4° | 150.1° |
| C30 | N42 | C32 | C31 | 1.9° | 0.1° |
| N42 | C30 | C29 | N31 | 175.6° | 179.7° |
| N42 | C30 | C29 | C28 | 140.6° | 90.3° |
| N42 | C30 | N31 | C31 | 2.2° | 0.2° |
| N42 | C30 | C29 | H3 | 98.9° | 149.8° |
| N42 | C30 | C29 | H4 | 20.2° | 29.8° |
| C30 | N42 | C42 | H27 | 139.0° | 150.0° |
| C30 | N42 | C42 | H28 | 19.6° | 30.0° |
| C34 | C35 | C36 | C41 | 177.1° | 179.9° |
| C34 | C35 | C41 | C31 | 1.3° | 0.3° |
| C34 | C35 | C36 | C37 | 48.1° | 114.7° |
| C34 | C35 | C36 | C39 | 128.0° | 65.0° |
| C35 | C34 | C33 | H18 | 179.5° | 180.0° |
| C34 | C35 | C41 | H26 | 178.7° | 179.9° |
| C32 | C31 | N31 | C30 | 0.9° | 0.1° |
| C32 | C31 | C41 | C35 | 1.1° | 0.3° |
| C32 | C31 | N31 | C41 | 177.0° | 179.8° |
| C31 | C32 | C33 | H18 | 179.3° | 180.0° |
| C32 | C31 | C41 | H26 | 178.9° | 179.9° |
| C26 | C25 | C24 | H6 | 180.0° | 180.0° |
| C25 | C26 | C27 | H5 | 180.0° | 180.0° |
| C26 | C25 | C24 | O24 | 180.0° | 180.0° |
| C26 | C25 | C24 | C49 | 0.1° | 0.0° |
| C25 | C26 | C27 | C28 | 179.8° | 180.0° |
| C25 | C26 | C27 | C48 | 0.2° | 0.3° |
| C24 | C25 | C26 | C27 | 0.1° | 0.0° |
| C25 | C24 | O24 | C49 | 179.9° | 179.9° |
| C25 | C24 | C49 | C48 | 0.2° | 0.3° |
| C24 | C25 | C26 | H5 | 179.9° | 180.0° |
| C25 | C24 | C49 | H40 | 179.8° | 180.0° |
| C38 | C37 | C36 | C35 | 2.5° | 0.1° |
| C38 | C37 | C36 | O37 | 179.1° | 179.9° |
| C38 | C37 | C36 | C39 | 179.4° | 179.7° |
| C38 | C37 | O37 | N37 | 179.3° | 179.8° |
| C37 | C38 | H20 | H21 | 120.0° | 120.0° |
| C37 | C38 | H20 | H22 | 120.0° | 120.0° |
| C37 | C38 | H21 | H22 | 120.0° | 119.9° |
| C26 | C27 | C28 | C29 | 53.3° | 89.7° |
| C26 | C27 | C28 | C48 | 180.0° | 179.7° |
| C26 | C27 | C48 | C49 | 0.1° | 0.5° |
| C26 | C27 | C28 | H1 | 173.6° | 30.3° |
| C26 | C27 | C28 | H2 | 66.9° | 150.3° |
| C27 | C26 | C25 | H6 | 179.9° | 179.9° |
| C26 | C27 | C48 | H39 | 179.9° | 179.7° |
| O24 | C24 | C49 | C48 | 179.9° | 179.8° |
| O24 | C24 | C25 | H6 | 0.0° | 0.0° |
| C24 | O24 | C23 | H7 | 68.7° | 60.0° |
| C24 | O24 | C23 | H8 | 51.4° | 60.0° |
| O24 | C24 | C49 | H40 | 0.1° | 0.0° |
| C30 | C29 | C28 | H3 | 120.5° | 120.0° |
| C30 | C29 | C28 | H4 | 120.5° | 120.1° |
| C29 | C30 | N31 | C31 | 173.8° | 180.0° |
| C30 | C29 | C28 | C27 | 76.6° | 180.0° |
| C30 | C29 | C28 | H1 | 43.6° | 60.0° |
| C30 | C29 | C28 | H2 | 163.2° | 59.9° |
| C30 | C29 | H3 | H4 | 118.6° | 120.0° |
| N31 | C30 | C29 | C28 | 43.8° | 90.0° |
| C30 | N31 | C31 | C41 | 176.1° | 180.0° |
| N31 | C30 | C29 | H3 | 76.7° | 29.9° |
| N31 | C30 | C29 | H4 | 164.3° | 149.9° |
| C24 | C49 | C48 | C27 | 0.1° | 0.5° |
| C24 | C49 | C48 | H40 | 180.0° | 179.8° |
| C49 | C24 | C25 | H6 | 179.9° | 179.9° |
| C24 | C49 | C48 | H39 | 179.9° | 179.7° |
| C29 | C28 | C27 | H1 | 120.2° | 120.0° |
| C29 | C28 | C27 | H2 | 120.2° | 120.0° |
| C29 | C28 | C27 | C48 | 126.7° | 90.0° |
| C29 | C28 | H1 | H2 | 119.3° | 120.0° |
| C28 | C29 | H3 | H4 | 118.6° | 120.0° |
| C36 | C35 | C41 | C31 | 175.8° | 179.8° |
| C35 | C36 | C37 | C39 | 176.9° | 179.8° |
| C35 | C36 | C37 | O37 | 176.6° | 180.0° |
| C35 | C36 | C39 | N37 | 176.2° | 180.0° |
| C35 | C36 | C39 | C40 | 4.2° | 0.0° |
| C36 | C35 | C34 | H19 | 3.4° | 0.0° |
| C36 | C35 | C41 | H26 | 4.2° | 0.0° |
| C35 | C41 | C31 | N31 | 175.7° | 179.8° |
| C35 | C41 | C31 | H26 | 180.0° | 179.8° |
| C41 | C35 | C36 | C37 | 134.8° | 65.2° |
| C41 | C35 | C36 | C39 | 49.1° | 115.1° |
| C41 | C35 | C34 | H19 | 179.5° | 179.8° |
| N31 | C31 | C41 | H26 | 4.3° | 0.1° |
| C36 | C37 | O37 | N37 | 0.0° | 0.2° |
| C37 | C36 | C39 | N37 | 0.6° | 0.2° |
| C37 | C36 | C39 | C40 | 179.0° | 179.8° |
| C36 | C37 | C38 | H20 | 179.0° | 90.0° |
| C36 | C37 | C38 | H21 | 60.9° | 150.0° |
| C36 | C37 | C38 | H22 | 59.1° | 30.1° |
| O37 | C37 | C36 | C39 | 0.3° | 0.2° |
| C37 | O37 | N37 | C39 | 0.4° | 0.0° |
| O37 | C37 | C38 | H20 | 0.0° | 89.9° |
| O37 | C37 | C38 | H21 | 120.0° | 30.1° |
| O37 | C37 | C38 | H22 | 120.0° | 150.0° |
| C28 | C27 | C48 | C49 | 179.8° | 179.8° |
| C27 | C28 | H1 | H2 | 119.4° | 120.0° |
| C27 | C28 | C29 | H3 | 163.0° | 60.0° |
| C27 | C28 | C29 | H4 | 43.9° | 60.0° |
| C28 | C27 | C26 | H5 | 0.2° | 0.0° |
| C28 | C27 | C48 | H39 | 0.1° | 0.0° |
| C27 | C48 | C49 | H39 | 180.0° | 179.8° |
| C48 | C27 | C28 | H1 | 6.5° | 150.0° |
| C48 | C27 | C28 | H2 | 113.1° | 30.0° |
| C48 | C27 | C26 | H5 | 179.8° | 179.7° |
| C27 | C48 | C49 | H40 | 179.9° | 179.7° |
| C36 | C39 | N37 | O37 | 0.6° | 0.2° |
| C36 | C39 | N37 | C40 | 179.6° | 180.0° |
| C36 | C39 | C40 | H23 | 179.6° | 90.0° |
| C36 | C39 | C40 | H24 | 60.4° | 150.0° |
| C36 | C39 | C40 | H25 | 59.5° | 30.0° |
| O37 | N37 | C39 | C40 | 179.0° | 179.8° |
| N37 | C39 | C40 | H23 | 0.0° | 90.0° |
| N37 | C39 | C40 | H24 | 120.0° | 30.0° |
| N37 | C39 | C40 | H25 | 120.0° | 150.0° |
| C39 | C40 | H23 | H24 | 120.0° | 119.9° |
| C39 | C40 | H23 | H25 | 120.0° | 120.0° |
| C39 | C40 | H24 | H25 | 120.0° | 120.0° |
| O18 | C17 | C16 | H41 | 90.0° | 120.1° |
| O18 | C17 | C16 | H42 | 90.0° | 119.9° |
| O18 | C17 | C16 | O16 | 90.0° | 65.0° |
| C17 | O18 | C18 | H12 | 95.9° | 59.9° |
| C17 | O18 | C18 | H13 | 24.2° | 60.0° |
| O18 | C17 | H41 | H42 | 90.0° | 119.9° |
| O18 | C17 | C16 | H43 | 90.0° | 174.9° |
| O18 | C17 | C16 | H44 | 90.0° | 54.9° |
| C17 | C16 | O16 | H43 | 90.0° | 120.0° |
| C17 | C16 | O16 | H44 | 90.0° | 120.0° |
| C17 | C16 | O16 | C15 | 90.0° | 180.0° |
| C16 | C17 | H41 | H42 | 90.0° | 120.0° |
| C17 | C16 | H43 | H44 | 90.0° | 120.0° |
| C16 | O16 | C15 | C14 | 90.0° | 180.0° |
| O16 | C16 | C17 | H41 | 90.0° | 55.0° |
| O16 | C16 | C17 | H42 | 90.0° | 175.1° |
| O16 | C16 | H43 | H44 | 90.0° | 120.0° |
| C16 | O16 | C15 | H45 | 90.0° | 60.0° |
| C16 | O16 | C15 | H46 | 90.0° | 60.0° |
| O16 | C15 | C14 | H45 | 90.0° | 119.9° |
| O16 | C15 | C14 | H46 | 90.0° | 120.0° |
| O16 | C15 | C14 | O14 | 90.0° | 65.0° |
| C15 | O16 | C16 | H43 | 90.0° | 60.0° |
| C15 | O16 | C16 | H44 | 90.0° | 60.0° |
| O16 | C15 | H45 | H46 | 90.0° | 120.0° |
| O16 | C15 | C14 | H47 | 90.0° | 175.0° |
| O16 | C15 | C14 | H48 | 90.0° | 55.0° |
| C15 | C14 | O14 | H47 | 90.0° | 119.9° |
| C15 | C14 | O14 | H48 | 90.0° | 120.0° |
| C15 | C14 | O14 | C13 | 90.0° | 180.0° |
| C14 | C15 | H45 | H46 | 90.0° | 120.1° |
| C15 | C14 | H47 | H48 | 90.0° | 119.9° |
| C14 | O14 | C13 | C12 | 90.0° | 180.0° |
| O14 | C14 | C15 | H45 | 90.0° | 54.9° |
| O14 | C14 | C15 | H46 | 90.0° | 175.0° |
| O14 | C14 | H47 | H48 | 90.0° | 120.1° |
| C14 | O14 | C13 | H49 | 90.0° | 60.0° |
| C14 | O14 | C13 | H50 | 90.0° | 60.0° |
| H1 | C28 | C29 | H3 | 76.8° | 180.0° |
| H1 | C28 | C29 | H4 | 164.1° | 60.1° |
| H2 | C28 | C29 | H3 | 42.8° | 60.0° |
| H2 | C28 | C29 | H4 | 76.3° | 180.0° |
| H5 | C26 | C25 | H6 | 0.1° | 0.1° |
| H7 | C23 | C22 | H10 | 105.0° | 60.1° |
| H7 | C23 | C22 | H11 | 136.0° | 180.0° |
| H8 | C23 | C22 | H10 | 15.1° | 180.0° |
| H8 | C23 | C22 | H11 | 104.0° | 60.0° |
| H10 | C22 | C21 | H16 | 17.3° | 180.0° |
| H10 | C22 | C21 | H17 | 136.0° | 60.0° |
| H11 | C22 | C21 | H16 | 101.7° | 60.0° |
| H11 | C22 | C21 | H17 | 16.9° | 180.0° |
| H18 | C33 | C34 | H19 | 0.5° | 0.0° |
| H20 | C38 | H21 | H22 | 120.0° | 120.0° |
| H23 | C40 | H24 | H25 | 120.0° | 120.1° |
| H27 | C42 | C43 | H29 | 176.0° | 60.0° |
| H27 | C42 | C43 | H30 | 65.9° | 179.9° |
| H28 | C42 | C43 | H29 | 56.5° | 180.0° |
| H28 | C42 | C43 | H30 | 174.6° | 60.0° |
| H31 | C44 | C45 | H33 | 52.2° | 63.3° |
| H31 | C44 | C45 | H34 | 67.1° | 56.9° |
| H32 | C44 | C45 | H33 | 171.9° | 56.8° |
| H32 | C44 | C45 | H34 | 52.7° | 177.0° |
| H35 | C46 | C47 | H37 | 51.5° | 176.9° |
| H35 | C46 | C47 | H38 | 171.3° | 56.9° |
| H36 | C46 | C47 | H37 | 67.8° | 56.8° |
| H36 | C46 | C47 | H38 | 51.9° | 63.2° |
| H39 | C48 | C49 | H40 | 0.1° | 0.0° |
| O14 | C13 | C12 | H49 | 90.0° | 120.1° |
| O14 | C13 | C12 | H50 | 90.0° | 120.0° |
| O14 | C13 | C12 | N12 | 90.0° | 65.0° |
| C13 | O14 | C14 | H47 | 90.0° | 60.0° |
| C13 | O14 | C14 | H48 | 90.0° | 60.1° |
| O14 | C13 | H49 | H50 | 90.0° | 120.0° |
| O14 | C13 | C12 | H51 | 90.0° | 175.0° |
| O14 | C13 | C12 | H52 | 90.0° | 54.9° |
| C13 | C12 | N12 | H51 | 90.0° | 120.1° |
| C13 | C12 | N12 | H52 | 90.0° | 120.0° |
| C13 | C12 | N12 | C11 | 90.0° | 180.0° |
| C12 | C13 | H49 | H50 | 90.0° | 119.9° |
| C13 | C12 | H51 | H52 | 90.0° | 120.0° |
| C13 | C12 | N12 | H53 | 90.0° | 0.1° |
| C12 | N12 | C11 | H53 | 90.0° | 179.9° |
| C12 | N12 | C11 | O11 | 90.0° | 0.1° |
| C12 | N12 | C11 | C10 | 90.0° | 180.0° |
| N12 | C12 | C13 | H49 | 90.0° | 55.1° |
| N12 | C12 | C13 | H50 | 90.0° | 175.0° |
| N12 | C12 | H51 | H52 | 90.0° | 119.9° |
| N12 | C11 | O11 | C10 | 90.0° | 180.0° |
| N12 | C11 | C10 | O10 | 90.0° | 180.0° |
| C11 | N12 | C12 | H51 | 90.0° | 59.9° |
| C11 | N12 | C12 | H52 | 90.0° | 60.1° |
| N12 | C11 | C10 | H54 | 90.0° | 60.0° |
| N12 | C11 | C10 | H55 | 90.0° | 60.0° |
| O11 | C11 | C10 | O10 | 90.0° | 0.0° |
| O11 | C11 | N12 | H53 | 90.0° | 180.0° |
| O11 | C11 | C10 | H54 | 90.0° | 120.0° |
| O11 | C11 | C10 | H55 | 90.0° | 120.0° |
| C11 | C10 | O10 | H54 | 90.0° | 120.0° |
| C11 | C10 | O10 | H55 | 90.0° | 120.0° |
| C11 | C10 | O10 | CA | 90.0° | 180.0° |
| C10 | C11 | N12 | H53 | 90.0° | 0.1° |
| C11 | C10 | H54 | H55 | 90.0° | 120.0° |
| C10 | O10 | CA | CB | 90.0° | 0.3° |
| C10 | O10 | CA | CE | 90.0° | 180.0° |
| O10 | C10 | H54 | H55 | 90.0° | 120.0° |
| O10 | CA | CB | CC | 90.0° | 180.0° |
| O10 | CA | CB | CE | 90.0° | 179.7° |
| O10 | CA | CE | CF | 90.0° | 180.0° |
| O10 | CA | CE | CH | 90.0° | 0.0° |
| O10 | CA | CB | H58 | 90.0° | 0.0° |
| CA | O10 | C10 | H54 | 90.0° | 60.0° |
| CA | O10 | C10 | H55 | 90.0° | 60.0° |
| CD | CC | CB | H57 | 90.0° | 179.7° |
| CD | CC | CB | CA | 90.0° | 0.0° |
| CC | CD | CF | H56 | 90.0° | 179.7° |
| CC | CD | CF | CE | 90.0° | 0.3° |
| CC | CD | CF | CG | 90.0° | 180.0° |
| CD | CC | CB | H58 | 90.0° | 180.0° |
| CC | CB | CA | H58 | 90.0° | 180.0° |
| CC | CB | CA | CE | 90.0° | 0.4° |
| CB | CC | CD | CF | 90.0° | 0.3° |
| CB | CC | CD | H56 | 90.0° | 180.0° |
| CB | CA | CE | CF | 90.0° | 0.4° |
| CB | CA | CE | CH | 90.0° | 179.7° |
| CA | CB | CC | H57 | 90.0° | 179.7° |
| CA | CE | CF | CD | 90.0° | 0.0° |
| CA | CE | CF | CH | 90.0° | 179.9° |
| CA | CE | CF | CG | 90.0° | 179.8° |
| CA | CE | CH | NG | 90.0° | 179.9° |
| CE | CA | CB | H58 | 90.0° | 179.7° |
| CA | CE | CH | OH | 90.0° | 0.3° |
| CD | CF | CE | CG | 90.0° | 179.8° |
| CD | CF | CG | NG | 90.0° | 180.0° |
| CD | CF | CE | CH | 90.0° | 180.0° |
| CF | CD | CC | H57 | 90.0° | 180.0° |
| CD | CF | CG | OG | 90.0° | 0.0° |
| CE | CF | CG | NG | 90.0° | 0.3° |
| CF | CE | CH | NG | 90.0° | 0.1° |
| CE | CF | CD | H56 | 90.0° | 180.0° |
| CE | CF | CG | OG | 90.0° | 179.8° |
| CF | CE | CH | OH | 90.0° | 179.8° |
| CF | CG | NG | OG | 90.0° | 180.0° |
| CF | CG | NG | CH | 90.0° | 0.2° |
| CG | CF | CE | CH | 90.0° | 0.2° |
| CG | CF | CD | H56 | 90.0° | 0.3° |
| CF | CG | NG | CI | 90.0° | 180.0° |
| CG | NG | CH | CI | 90.0° | 179.8° |
| CG | NG | CH | CE | 90.0° | 0.1° |
| CG | NG | CH | OH | 90.0° | 179.9° |
| CG | NG | CI | CJ | 90.0° | 44.8° |
| CG | NG | CI | CN | 90.0° | 74.9° |
| CG | NG | CI | H59 | 90.0° | 165.0° |
| NG | CH | CE | OH | 90.0° | 179.8° |
| CH | NG | CG | OG | 90.0° | 179.8° |
| CH | NG | CI | CJ | 90.0° | 134.9° |
| CH | NG | CI | CN | 90.0° | 105.4° |
| CH | NG | CI | H59 | 90.0° | 14.8° |
| CE | CH | NG | CI | 90.0° | 179.9° |
| H56 | CD | CC | H57 | 90.0° | 0.3° |
| H57 | CC | CB | H58 | 90.0° | 0.3° |
| CI | NG | CG | OG | 90.0° | 0.0° |
| CI | NG | CH | OH | 90.0° | 0.3° |
| NG | CI | CJ | CN | 90.0° | 119.9° |
| NG | CI | CJ | H59 | 90.0° | 120.2° |
| NG | CI | CJ | NK | 90.0° | 90.8° |
| NG | CI | CN | CM | 90.0° | 64.3° |
| NG | CI | CN | H59 | 90.0° | 120.2° |
| NG | CI | CJ | OJ | 90.0° | 89.2° |
| NG | CI | CN | H63 | 90.0° | 55.4° |
| NG | CI | CN | H64 | 90.0° | 176.0° |
| H9 | N20 | C19 | H14 | 160.6° | 120.0° |
| H9 | N20 | C19 | H15 | 80.1° | 120.1° |
| H12 | C18 | C19 | H14 | 32.0° | 65.0° |
| H12 | C18 | C19 | H15 | 151.3° | 54.9° |
| H13 | C18 | C19 | H14 | 152.0° | 175.1° |
| H13 | C18 | C19 | H15 | 88.7° | 65.1° |
| H41 | C17 | C16 | H43 | 90.0° | 65.0° |
| H41 | C17 | C16 | H44 | 90.0° | 175.0° |
| H42 | C17 | C16 | H43 | 90.0° | 55.0° |
| H42 | C17 | C16 | H44 | 90.0° | 65.0° |
| H45 | C15 | C14 | H47 | 90.0° | 65.1° |
| H45 | C15 | C14 | H48 | 90.0° | 174.9° |
| H46 | C15 | C14 | H47 | 90.0° | 55.0° |
| H46 | C15 | C14 | H48 | 90.0° | 65.0° |
| H49 | C13 | C12 | H51 | 90.0° | 65.0° |
| H49 | C13 | C12 | H52 | 90.0° | 175.0° |
| H50 | C13 | C12 | H51 | 90.0° | 55.0° |
| H50 | C13 | C12 | H52 | 90.0° | 65.0° |
| H51 | C12 | N12 | H53 | 90.0° | 120.0° |
| H52 | C12 | N12 | H53 | 90.0° | 120.0° |
| CI | CJ | NK | OJ | 90.0° | 180.0° |
| CI | CJ | NK | CL | 90.0° | 0.5° |
| CJ | CI | CN | CM | 90.0° | 55.6° |
| CJ | CI | CN | H59 | 90.0° | 119.9° |
| CI | CJ | NK | H60 | 90.0° | 179.4° |
| CJ | CI | CN | H63 | 90.0° | 175.3° |
| CJ | CI | CN | H64 | 90.0° | 64.1° |
| CJ | NK | CL | H60 | 90.0° | 179.9° |
| CJ | NK | CL | CM | 90.0° | 0.4° |
| NK | CJ | CI | CN | 90.0° | 29.1° |
| CJ | NK | CL | OL | 90.0° | 179.5° |
| NK | CJ | CI | H59 | 90.0° | 149.0° |
| NK | CL | CM | OL | 90.0° | 179.9° |
| NK | CL | CM | CN | 90.0° | 29.0° |
| CL | NK | CJ | OJ | 90.0° | 179.5° |
| NK | CL | CM | H61 | 90.0° | 149.0° |
| NK | CL | CM | H62 | 90.0° | 90.9° |
| CL | CM | CN | H61 | 90.0° | 120.0° |
| CL | CM | CN | H62 | 90.0° | 119.9° |
| CL | CM | CN | CI | 90.0° | 55.6° |
| CM | CL | NK | H60 | 90.0° | 179.4° |
| CL | CM | H61 | H62 | 90.0° | 120.1° |
| CL | CM | CN | H63 | 90.0° | 175.3° |
| CL | CM | CN | H64 | 90.0° | 64.1° |
| CM | CN | CI | H63 | 90.0° | 119.7° |
| CM | CN | CI | H64 | 90.0° | 119.7° |
| CN | CM | CL | OL | 90.0° | 150.9° |
| CM | CN | CI | H59 | 90.0° | 175.5° |
| CN | CM | H61 | H62 | 90.0° | 120.1° |
| CM | CN | H63 | H64 | 90.0° | 120.4° |
| CN | CI | CJ | OJ | 90.0° | 150.9° |
| CI | CN | CM | H61 | 90.0° | 175.6° |
| CI | CN | CM | H62 | 90.0° | 64.3° |
| CI | CN | H63 | H64 | 90.0° | 120.5° |
| OJ | CJ | CI | H59 | 90.0° | 31.0° |
| OJ | CJ | NK | H60 | 90.0° | 0.6° |
| OL | CL | NK | H60 | 90.0° | 0.7° |
| OL | CL | CM | H61 | 90.0° | 30.9° |
| OL | CL | CM | H62 | 90.0° | 89.2° |
| H59 | CI | CN | H63 | 90.0° | 64.8° |
| H59 | CI | CN | H64 | 90.0° | 55.9° |
| H61 | CM | CN | H63 | 90.0° | 64.7° |
| H61 | CM | CN | H64 | 90.0° | 55.9° |
| H62 | CM | CN | H63 | 90.0° | 55.4° |
| H62 | CM | CN | H64 | 90.0° | 176.0° |
