PRD_900128
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.53Å | 1.53Å | |
| C1 | O1 | sing | 1.43Å | 1.42Å | |
| C1 | O6 | sing | 1.43Å | 1.46Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C2 | C3 | sing | 1.53Å | 1.51Å | |
| C2 | N1 | sing | 1.47Å | 1.45Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C3 | C4 | sing | 1.53Å | 1.52Å | |
| C3 | O2 | sing | 1.43Å | 1.48Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C4 | C5 | sing | 1.53Å | 1.55Å | |
| C4 | O3 | sing | 1.43Å | 1.41Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C5 | C6 | sing | 1.53Å | 1.51Å | |
| C5 | O1 | sing | 1.43Å | 1.44Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C6 | O4 | sing | 1.43Å | 1.43Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| C6 | H7 | sing | 1.09Å | 1.10Å | |
| C7 | C8 | sing | 1.51Å | 1.53Å | |
| C7 | O5 | doub | 1.21Å | 1.22Å | |
| C7 | N1 | sing | 1.35Å | 1.33Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| C8 | H9 | sing | 1.09Å | 1.10Å | |
| C8 | H10 | sing | 1.09Å | 1.10Å | |
| O4 | H11 | sing | 0.97Å | 0.95Å | |
| N1 | H12 | sing | 0.97Å | 1.00Å | |
| O6 | H13 | sing | 0.97Å | 0.95Å | |
| C9 | C10 | sing | 1.53Å | 1.49Å | |
| C9 | O10 | sing | 1.43Å | 1.43Å | |
| C9 | H14 | sing | 1.09Å | 1.10Å | |
| C10 | C11 | sing | 1.53Å | 1.50Å | |
| C10 | O7 | sing | 1.43Å | 1.45Å | |
| C10 | H15 | sing | 1.09Å | 1.10Å | |
| C11 | C12 | sing | 1.53Å | 1.52Å | |
| C11 | O8 | sing | 1.43Å | 1.47Å | |
| C11 | H16 | sing | 1.09Å | 1.10Å | |
| C12 | C13 | sing | 1.53Å | 1.50Å | |
| C12 | O9 | sing | 1.43Å | 1.48Å | |
| C12 | H17 | sing | 1.09Å | 1.10Å | |
| C13 | C14 | sing | 1.53Å | 1.51Å | |
| C13 | O10 | sing | 1.43Å | 1.44Å | |
| C13 | H18 | sing | 1.09Å | 1.10Å | |
| C14 | O11 | sing | 1.43Å | 1.41Å | |
| C14 | H19 | sing | 1.09Å | 1.10Å | |
| C14 | H20 | sing | 1.09Å | 1.10Å | |
| O9 | H21 | sing | 0.97Å | 0.95Å | |
| O11 | H22 | sing | 0.97Å | 0.95Å | |
| C15 | C16 | sing | 1.53Å | 1.56Å | |
| C15 | O15 | sing | 1.43Å | 1.50Å | |
| C15 | H23 | sing | 1.09Å | 1.10Å | |
| C16 | C17 | sing | 1.53Å | 1.55Å | |
| C16 | O12 | sing | 1.43Å | 1.45Å | |
| C16 | H24 | sing | 1.09Å | 1.10Å | |
| C17 | C18 | sing | 1.53Å | 1.55Å | |
| C17 | O13 | sing | 1.43Å | 1.43Å | |
| C17 | H25 | sing | 1.09Å | 1.10Å | |
| C18 | C19 | sing | 1.53Å | 1.53Å | |
| C18 | O14 | sing | 1.43Å | 1.45Å | |
| C18 | H26 | sing | 1.09Å | 1.10Å | |
| C19 | C20 | sing | 1.53Å | 1.53Å | |
| C19 | O15 | sing | 1.43Å | 1.43Å | |
| C19 | H27 | sing | 1.09Å | 1.10Å | |
| C20 | H28 | sing | 1.09Å | 1.10Å | |
| C20 | H29 | sing | 1.09Å | 1.10Å | |
| C20 | H30 | sing | 1.09Å | 1.10Å | |
| O12 | H31 | sing | 0.97Å | 0.95Å | |
| O13 | H32 | sing | 0.97Å | 0.95Å | |
| O14 | H33 | sing | 0.97Å | 0.95Å | |
| O16 | C25 | sing | 1.43Å | 1.47Å | |
| C21 | O16 | sing | 1.43Å | 1.50Å | |
| C21 | C22 | sing | 1.53Å | 1.54Å | |
| C21 | H34 | sing | 1.09Å | 1.10Å | |
| C22 | C23 | sing | 1.53Å | 1.52Å | |
| C22 | H35 | sing | 1.09Å | 1.10Å | |
| N2 | C22 | sing | 1.47Å | 1.48Å | |
| N2 | H36 | sing | 0.97Å | 1.00Å | |
| C23 | C24 | sing | 1.53Å | 1.52Å | |
| C23 | O17 | sing | 1.43Å | 1.45Å | |
| C23 | H37 | sing | 1.09Å | 1.10Å | |
| O17 | H38 | sing | 0.97Å | 0.95Å | |
| C24 | O18 | sing | 1.43Å | 1.43Å | |
| C24 | H39 | sing | 1.09Å | 1.10Å | |
| O18 | H40 | sing | 0.97Å | 0.95Å | |
| C25 | C24 | sing | 1.53Å | 1.55Å | |
| C25 | C26 | sing | 1.53Å | 1.53Å | |
| C25 | H41 | sing | 1.09Å | 1.10Å | |
| C26 | O19 | sing | 1.43Å | 1.46Å | |
| C26 | H42 | sing | 1.09Å | 1.10Å | |
| C27 | N2 | sing | 1.35Å | 1.35Å | |
| O20 | C27 | doub | 1.21Å | 1.24Å | |
| C28 | C27 | sing | 1.51Å | 1.54Å | |
| C28 | H43 | sing | 1.09Å | 1.10Å | |
| C28 | H44 | sing | 1.09Å | 1.10Å | |
| C28 | H45 | sing | 1.09Å | 1.10Å | |
| C26 | H46 | sing | 1.09Å | 1.10Å | |
| O19 | H47 | sing | 0.97Å | 0.95Å | |
| C29 | C30 | sing | 1.53Å | 1.56Å | |
| C29 | O24 | sing | 1.43Å | 1.43Å | |
| C29 | H48 | sing | 1.09Å | 1.10Å | |
| C30 | C31 | sing | 1.53Å | 1.50Å | |
| C30 | O21 | sing | 1.43Å | 1.43Å | |
| C30 | H49 | sing | 1.09Å | 1.10Å | |
| C31 | C32 | sing | 1.53Å | 1.54Å | |
| C31 | O22 | sing | 1.43Å | 1.43Å | |
| C31 | H50 | sing | 1.09Å | 1.10Å | |
| C32 | C33 | sing | 1.53Å | 1.55Å | |
| C32 | O23 | sing | 1.43Å | 1.46Å | |
| C32 | H51 | sing | 1.09Å | 1.10Å | |
| C33 | C34 | sing | 1.53Å | 1.50Å | |
| C33 | O24 | sing | 1.43Å | 1.41Å | |
| C33 | H52 | sing | 1.09Å | 1.10Å | |
| C34 | H53 | sing | 1.09Å | 1.10Å | |
| C34 | H54 | sing | 1.09Å | 1.10Å | |
| C34 | H55 | sing | 1.09Å | 1.10Å | |
| O21 | H56 | sing | 0.97Å | 0.95Å | |
| O22 | H57 | sing | 0.97Å | 0.95Å | |
| O23 | H58 | sing | 0.97Å | 0.95Å | |
| O3 | C9 | sing | 1.43Å | 1.43Å | |
| O2 | C29 | sing | 1.43Å | 1.48Å | |
| O7 | C15 | sing | 1.43Å | 1.46Å | |
| O8 | C21 | sing | 1.43Å | 1.47Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | O1 | 112.1° | 109.4° |
| C2 | C1 | O6 | 108.5° | 109.5° |
| C2 | C1 | H1 | 108.3° | 109.5° |
| C1 | C2 | C3 | 111.2° | 109.2° |
| C1 | C2 | N1 | 103.2° | 109.5° |
| C1 | C2 | H2 | 110.2° | 109.5° |
| O1 | C1 | O6 | 108.8° | 109.5° |
| O1 | C1 | H1 | 109.8° | 109.4° |
| C1 | O1 | C5 | 112.6° | 114.1° |
| O6 | C1 | H1 | 109.3° | 109.5° |
| C1 | O6 | H13 | 109.5° | 114.0° |
| C3 | C2 | N1 | 110.2° | 109.5° |
| C3 | C2 | H2 | 110.5° | 109.5° |
| C2 | C3 | C4 | 109.5° | 109.0° |
| C2 | C3 | O2 | 110.8° | 109.6° |
| C2 | C3 | H3 | 110.0° | 109.5° |
| N1 | C2 | H2 | 111.4° | 109.5° |
| C2 | N1 | C7 | 120.6° | 120.0° |
| C2 | N1 | H12 | 119.7° | 119.9° |
| C4 | C3 | O2 | 106.2° | 109.5° |
| C4 | C3 | H3 | 109.9° | 109.6° |
| C3 | C4 | C5 | 112.5° | 109.1° |
| C3 | C4 | O3 | 105.8° | 109.5° |
| C3 | C4 | H4 | 108.6° | 109.5° |
| O2 | C3 | H3 | 110.4° | 109.6° |
| C3 | O2 | C29 | 118.6° | 114.0° |
| C5 | C4 | O3 | 111.6° | 109.5° |
| C5 | C4 | H4 | 108.2° | 109.5° |
| C4 | C5 | C6 | 110.7° | 109.4° |
| C4 | C5 | O1 | 108.7° | 109.4° |
| C4 | C5 | H5 | 109.8° | 109.5° |
| O3 | C4 | H4 | 110.1° | 109.6° |
| C4 | O3 | C9 | 114.0° | 114.0° |
| C6 | C5 | O1 | 105.7° | 109.5° |
| C6 | C5 | H5 | 110.4° | 109.5° |
| C5 | C6 | O4 | 105.4° | 109.4° |
| C5 | C6 | H6 | 110.5° | 109.5° |
| C5 | C6 | H7 | 110.4° | 109.5° |
| O1 | C5 | H5 | 111.4° | 109.5° |
| O4 | C6 | H6 | 110.5° | 109.5° |
| O4 | C6 | H7 | 110.5° | 109.5° |
| C6 | O4 | H11 | 109.5° | 114.0° |
| H6 | C6 | H7 | 109.5° | 109.5° |
| C8 | C7 | O5 | 120.7° | 120.0° |
| C8 | C7 | N1 | 115.6° | 120.0° |
| C7 | C8 | H8 | 109.5° | 109.5° |
| C7 | C8 | H9 | 109.4° | 109.5° |
| C7 | C8 | H10 | 109.5° | 109.5° |
| O5 | C7 | N1 | 123.7° | 120.0° |
| C7 | N1 | H12 | 119.7° | 120.0° |
| H8 | C8 | H9 | 109.5° | 109.4° |
| H8 | C8 | H10 | 109.5° | 109.5° |
| H9 | C8 | H10 | 109.5° | 109.5° |
| C10 | C9 | O10 | 112.3° | 109.4° |
| C10 | C9 | H14 | 108.2° | 109.5° |
| C9 | C10 | C11 | 108.1° | 109.2° |
| C9 | C10 | O7 | 108.1° | 109.5° |
| C9 | C10 | H15 | 110.9° | 109.5° |
| C10 | C9 | O3 | 107.9° | 109.5° |
| O10 | C9 | H14 | 108.9° | 109.5° |
| C9 | O10 | C13 | 113.0° | 114.1° |
| O10 | C9 | O3 | 110.4° | 109.5° |
| H14 | C9 | O3 | 109.0° | 109.5° |
| C11 | C10 | O7 | 107.4° | 109.5° |
| C11 | C10 | H15 | 110.7° | 109.6° |
| C10 | C11 | C12 | 111.3° | 109.0° |
| C10 | C11 | O8 | 105.4° | 109.6° |
| C10 | C11 | H16 | 109.4° | 109.6° |
| O7 | C10 | H15 | 111.5° | 109.5° |
| C10 | O7 | C15 | 117.7° | 114.0° |
| C12 | C11 | O8 | 111.9° | 109.5° |
| C12 | C11 | H16 | 109.0° | 109.6° |
| C11 | C12 | C13 | 108.3° | 109.1° |
| C11 | C12 | O9 | 109.3° | 109.6° |
| C11 | C12 | H17 | 108.7° | 109.5° |
| O8 | C11 | H16 | 109.7° | 109.6° |
| C11 | O8 | C21 | 113.6° | 114.0° |
| C13 | C12 | O9 | 112.0° | 109.6° |
| C13 | C12 | H17 | 109.0° | 109.5° |
| C12 | C13 | C14 | 108.2° | 109.5° |
| C12 | C13 | O10 | 110.5° | 109.4° |
| C12 | C13 | H18 | 109.3° | 109.5° |
| O9 | C12 | H17 | 109.4° | 109.6° |
| C12 | O9 | H21 | 109.5° | 114.0° |
| C14 | C13 | O10 | 109.5° | 109.4° |
| C14 | C13 | H18 | 109.2° | 109.4° |
| C13 | C14 | O11 | 104.9° | 109.5° |
| C13 | C14 | H19 | 110.6° | 109.5° |
| C13 | C14 | H20 | 110.6° | 109.4° |
| O10 | C13 | H18 | 110.1° | 109.5° |
| O11 | C14 | H19 | 110.6° | 109.5° |
| O11 | C14 | H20 | 110.6° | 109.4° |
| C14 | O11 | H22 | 109.5° | 114.0° |
| H19 | C14 | H20 | 109.5° | 109.5° |
| C16 | C15 | O15 | 111.1° | 109.4° |
| C16 | C15 | H23 | 108.3° | 109.5° |
| C15 | C16 | C17 | 109.6° | 109.2° |
| C15 | C16 | O12 | 109.2° | 109.6° |
| C15 | C16 | H24 | 109.1° | 109.5° |
| C16 | C15 | O7 | 109.6° | 109.5° |
| O15 | C15 | H23 | 109.1° | 109.5° |
| C15 | O15 | C19 | 114.2° | 114.1° |
| O15 | C15 | O7 | 109.1° | 109.5° |
| H23 | C15 | O7 | 109.7° | 109.5° |
| C17 | C16 | O12 | 108.9° | 109.5° |
| C17 | C16 | H24 | 109.3° | 109.5° |
| C16 | C17 | C18 | 111.5° | 109.0° |
| C16 | C17 | O13 | 110.2° | 109.5° |
| C16 | C17 | H25 | 108.3° | 109.6° |
| O12 | C16 | H24 | 110.6° | 109.6° |
| C16 | O12 | H31 | 109.5° | 114.0° |
| C18 | C17 | O13 | 108.3° | 109.5° |
| C18 | C17 | H25 | 108.4° | 109.5° |
| C17 | C18 | C19 | 109.4° | 109.2° |
| C17 | C18 | O14 | 108.2° | 109.5° |
| C17 | C18 | H26 | 108.8° | 109.5° |
| O13 | C17 | H25 | 110.0° | 109.6° |
| C17 | O13 | H32 | 109.5° | 114.0° |
| C19 | C18 | O14 | 111.1° | 109.5° |
| C19 | C18 | H26 | 109.1° | 109.5° |
| C18 | C19 | C20 | 111.0° | 109.5° |
| C18 | C19 | O15 | 109.7° | 109.4° |
| C18 | C19 | H27 | 109.3° | 109.5° |
| O14 | C18 | H26 | 110.2° | 109.6° |
| C18 | O14 | H33 | 109.5° | 114.0° |
| C20 | C19 | O15 | 107.2° | 109.5° |
| C20 | C19 | H27 | 109.2° | 109.5° |
| C19 | C20 | H28 | 109.5° | 109.5° |
| C19 | C20 | H29 | 109.5° | 109.5° |
| C19 | C20 | H30 | 109.5° | 109.5° |
| O15 | C19 | H27 | 110.5° | 109.5° |
| H28 | C20 | H29 | 109.5° | 109.5° |
| H28 | C20 | H30 | 109.5° | 109.5° |
| H29 | C20 | H30 | 109.5° | 109.5° |
| C25 | O16 | C21 | 112.1° | 114.1° |
| O16 | C25 | C24 | 110.3° | 109.4° |
| O16 | C25 | C26 | 111.0° | 109.4° |
| O16 | C25 | H41 | 108.9° | 109.5° |
| O16 | C21 | C22 | 110.0° | 109.4° |
| O16 | C21 | H34 | 108.2° | 109.4° |
| O16 | C21 | O8 | 113.4° | 109.5° |
| C22 | C21 | H34 | 107.7° | 109.5° |
| C21 | C22 | C23 | 111.3° | 109.1° |
| C21 | C22 | H35 | 107.9° | 109.5° |
| C21 | C22 | N2 | 112.4° | 109.5° |
| C22 | C21 | O8 | 108.9° | 109.5° |
| H34 | C21 | O8 | 108.5° | 109.4° |
| C23 | C22 | H35 | 108.1° | 109.5° |
| C23 | C22 | N2 | 108.4° | 109.5° |
| C22 | C23 | C24 | 109.5° | 109.0° |
| C22 | C23 | O17 | 108.4° | 109.5° |
| C22 | C23 | H37 | 109.6° | 109.5° |
| H35 | C22 | N2 | 108.7° | 109.6° |
| C22 | N2 | H36 | 118.6° | 120.0° |
| C22 | N2 | C27 | 122.9° | 120.0° |
| H36 | N2 | C27 | 118.5° | 120.0° |
| C24 | C23 | O17 | 109.0° | 109.5° |
| C24 | C23 | H37 | 109.7° | 109.6° |
| C23 | C24 | O18 | 107.0° | 109.5° |
| C23 | C24 | H39 | 109.3° | 109.5° |
| C23 | C24 | C25 | 111.1° | 109.2° |
| O17 | C23 | H37 | 110.6° | 109.6° |
| C23 | O17 | H38 | 109.5° | 114.0° |
| O18 | C24 | H39 | 110.7° | 109.5° |
| C24 | O18 | H40 | 109.5° | 114.0° |
| O18 | C24 | C25 | 109.6° | 109.5° |
| H39 | C24 | C25 | 109.0° | 109.6° |
| C24 | C25 | C26 | 110.6° | 109.5° |
| C24 | C25 | H41 | 107.9° | 109.5° |
| C26 | C25 | H41 | 108.1° | 109.5° |
| C25 | C26 | O19 | 103.8° | 109.5° |
| C25 | C26 | H42 | 110.8° | 109.4° |
| C25 | C26 | H46 | 110.9° | 109.5° |
| O19 | C26 | H42 | 110.8° | 109.5° |
| O19 | C26 | H46 | 110.9° | 109.5° |
| C26 | O19 | H47 | 109.5° | 114.0° |
| H42 | C26 | H46 | 109.5° | 109.4° |
| N2 | C27 | O20 | 121.8° | 120.0° |
| N2 | C27 | C28 | 117.0° | 119.9° |
| O20 | C27 | C28 | 121.2° | 120.0° |
| C27 | C28 | H43 | 109.5° | 109.5° |
| C27 | C28 | H44 | 109.5° | 109.4° |
| C27 | C28 | H45 | 109.5° | 109.5° |
| H43 | C28 | H44 | 109.5° | 109.5° |
| H43 | C28 | H45 | 109.5° | 109.5° |
| H44 | C28 | H45 | 109.4° | 109.5° |
| C30 | C29 | O24 | 111.7° | 109.4° |
| C30 | C29 | H48 | 108.1° | 109.5° |
| C29 | C30 | C31 | 108.8° | 109.2° |
| C29 | C30 | O21 | 108.5° | 109.6° |
| C29 | C30 | H49 | 108.7° | 109.5° |
| C30 | C29 | O2 | 108.6° | 109.4° |
| O24 | C29 | H48 | 109.8° | 109.5° |
| C29 | O24 | C33 | 115.2° | 114.1° |
| O24 | C29 | O2 | 109.6° | 109.5° |
| H48 | C29 | O2 | 109.0° | 109.5° |
| C31 | C30 | O21 | 110.9° | 109.5° |
| C31 | C30 | H49 | 109.5° | 109.5° |
| C30 | C31 | C32 | 109.9° | 109.0° |
| C30 | C31 | O22 | 108.9° | 109.6° |
| C30 | C31 | H50 | 109.1° | 109.6° |
| O21 | C30 | H49 | 110.4° | 109.6° |
| C30 | O21 | H56 | 109.5° | 114.0° |
| C32 | C31 | O22 | 110.5° | 109.5° |
| C32 | C31 | H50 | 108.5° | 109.5° |
| C31 | C32 | C33 | 111.2° | 109.1° |
| C31 | C32 | O23 | 111.6° | 109.5° |
| C31 | C32 | H51 | 107.4° | 109.5° |
| O22 | C31 | H50 | 110.0° | 109.6° |
| C31 | O22 | H57 | 109.5° | 114.0° |
| C33 | C32 | O23 | 110.7° | 109.5° |
| C33 | C32 | H51 | 107.4° | 109.6° |
| C32 | C33 | C34 | 111.2° | 109.5° |
| C32 | C33 | O24 | 111.4° | 109.5° |
| C32 | C33 | H52 | 107.1° | 109.5° |
| O23 | C32 | H51 | 108.4° | 109.6° |
| C32 | O23 | H58 | 109.5° | 114.0° |
| C34 | C33 | O24 | 110.6° | 109.5° |
| C34 | C33 | H52 | 107.6° | 109.5° |
| C33 | C34 | H53 | 109.5° | 109.5° |
| C33 | C34 | H54 | 109.5° | 109.5° |
| C33 | C34 | H55 | 109.5° | 109.5° |
| O24 | C33 | H52 | 108.8° | 109.5° |
| H53 | C34 | H54 | 109.4° | 109.4° |
| H53 | C34 | H55 | 109.5° | 109.4° |
| H54 | C34 | H55 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | O1 | O6 | 120.0° | 120.0° |
| C2 | C1 | O1 | H1 | 120.4° | 120.0° |
| C2 | C1 | O6 | H1 | 117.9° | 120.1° |
| C1 | C2 | C3 | N1 | 113.8° | 119.9° |
| C1 | C2 | C3 | H2 | 122.7° | 119.9° |
| C1 | C2 | N1 | H2 | 118.2° | 120.1° |
| C1 | C2 | C3 | C4 | 50.5° | 57.0° |
| C1 | C2 | C3 | O2 | 167.3° | 176.9° |
| C1 | C2 | C3 | H3 | 70.4° | 62.9° |
| C2 | C1 | O1 | C5 | 60.3° | 61.2° |
| C1 | C2 | N1 | C7 | 88.3° | 85.0° |
| C1 | C2 | N1 | H12 | 91.8° | 95.0° |
| C2 | C1 | O6 | H13 | 180.0° | 180.0° |
| O1 | C1 | O6 | H1 | 119.9° | 120.0° |
| O1 | C1 | C2 | C3 | 54.9° | 57.6° |
| O1 | C1 | C2 | N1 | 173.0° | 177.6° |
| O1 | C1 | C2 | H2 | 67.9° | 62.3° |
| C1 | O1 | C5 | C4 | 59.5° | 61.2° |
| C1 | O1 | C5 | C6 | 178.4° | 178.9° |
| C1 | O1 | C5 | H5 | 61.6° | 58.8° |
| O1 | C1 | O6 | H13 | 57.8° | 60.0° |
| O6 | C1 | C2 | C3 | 65.3° | 62.4° |
| O6 | C1 | C2 | N1 | 52.8° | 57.6° |
| O6 | C1 | C2 | H2 | 171.9° | 177.7° |
| O6 | C1 | O1 | C5 | 59.7° | 58.9° |
| H1 | C1 | C2 | C3 | 176.1° | 177.6° |
| H1 | C1 | C2 | N1 | 65.7° | 62.5° |
| H1 | C1 | C2 | H2 | 53.3° | 57.6° |
| H1 | C1 | O1 | C5 | 179.3° | 178.9° |
| H1 | C1 | O6 | H13 | 62.1° | 59.9° |
| C3 | C2 | N1 | H2 | 123.0° | 120.1° |
| C2 | C3 | C4 | O2 | 119.7° | 119.9° |
| C2 | C3 | C4 | H3 | 120.9° | 119.9° |
| C2 | C3 | O2 | H3 | 122.1° | 120.2° |
| C2 | C3 | C4 | C5 | 52.5° | 56.9° |
| C2 | C3 | C4 | O3 | 174.6° | 176.8° |
| C2 | C3 | C4 | H4 | 67.2° | 63.0° |
| C3 | C2 | N1 | C7 | 153.0° | 155.3° |
| C3 | C2 | N1 | H12 | 27.0° | 24.7° |
| C2 | C3 | O2 | C29 | 93.8° | 86.4° |
| N1 | C2 | C3 | C4 | 164.2° | 176.9° |
| N1 | C2 | C3 | O2 | 78.9° | 63.2° |
| N1 | C2 | C3 | H3 | 43.4° | 57.0° |
| C2 | N1 | C7 | C8 | 174.6° | 180.0° |
| C2 | N1 | C7 | O5 | 5.5° | 0.0° |
| C2 | N1 | C7 | H12 | 180.0° | 180.0° |
| H2 | C2 | C3 | C4 | 72.2° | 63.0° |
| H2 | C2 | C3 | O2 | 44.7° | 56.9° |
| H2 | C2 | C3 | H3 | 167.0° | 177.2° |
| H2 | C2 | N1 | C7 | 29.9° | 35.1° |
| H2 | C2 | N1 | H12 | 150.0° | 144.8° |
| C4 | C3 | O2 | H3 | 119.1° | 120.2° |
| C3 | C4 | C5 | O3 | 118.8° | 119.9° |
| C3 | C4 | C5 | H4 | 120.0° | 119.9° |
| C3 | C4 | O3 | H4 | 117.2° | 120.2° |
| C3 | C4 | C5 | C6 | 171.9° | 177.6° |
| C3 | C4 | C5 | O1 | 56.2° | 57.6° |
| C3 | C4 | C5 | H5 | 65.9° | 62.4° |
| C3 | C4 | O3 | C9 | 134.7° | 129.4° |
| C4 | C3 | O2 | C29 | 147.4° | 154.0° |
| O2 | C3 | C4 | C5 | 172.1° | 176.9° |
| O2 | C3 | C4 | O3 | 65.7° | 63.2° |
| O2 | C3 | C4 | H4 | 52.4° | 57.0° |
| C3 | O2 | C29 | C30 | 158.6° | 165.2° |
| C3 | O2 | C29 | O24 | 79.2° | 74.8° |
| C3 | O2 | C29 | H48 | 41.0° | 45.3° |
| H3 | C3 | C4 | C5 | 68.5° | 62.9° |
| H3 | C3 | C4 | O3 | 53.7° | 57.0° |
| H3 | C3 | C4 | H4 | 171.8° | 177.2° |
| H3 | C3 | O2 | C29 | 28.3° | 33.8° |
| C5 | C4 | O3 | H4 | 120.1° | 120.2° |
| C4 | C5 | C6 | O1 | 117.6° | 120.0° |
| C4 | C5 | C6 | H5 | 121.8° | 120.0° |
| C4 | C5 | O1 | H5 | 121.2° | 120.0° |
| C4 | C5 | C6 | O4 | 169.3° | 172.7° |
| C4 | C5 | C6 | H6 | 50.0° | 52.7° |
| C4 | C5 | C6 | H7 | 71.3° | 67.3° |
| C5 | C4 | O3 | C9 | 102.6° | 111.0° |
| O3 | C4 | C5 | C6 | 69.3° | 62.5° |
| O3 | C4 | C5 | O1 | 175.0° | 177.5° |
| O3 | C4 | C5 | H5 | 52.8° | 57.5° |
| C4 | O3 | C9 | C10 | 155.5° | 164.5° |
| C4 | O3 | C9 | O10 | 81.4° | 75.6° |
| C4 | O3 | C9 | H14 | 38.2° | 44.4° |
| H4 | C4 | C5 | C6 | 52.0° | 57.7° |
| H4 | C4 | C5 | O1 | 63.7° | 62.3° |
| H4 | C4 | C5 | H5 | 174.1° | 177.7° |
| H4 | C4 | O3 | C9 | 17.6° | 9.2° |
| C6 | C5 | O1 | H5 | 119.9° | 120.1° |
| C5 | C6 | O4 | H6 | 119.4° | 120.0° |
| C5 | C6 | O4 | H7 | 119.3° | 120.0° |
| C5 | C6 | H6 | H7 | 121.8° | 120.0° |
| C5 | C6 | O4 | H11 | 180.0° | 179.9° |
| O1 | C5 | C6 | O4 | 73.1° | 67.4° |
| O1 | C5 | C6 | H6 | 167.5° | 172.7° |
| O1 | C5 | C6 | H7 | 46.3° | 52.6° |
| H5 | C5 | C6 | O4 | 47.5° | 52.7° |
| H5 | C5 | C6 | H6 | 71.8° | 67.3° |
| H5 | C5 | C6 | H7 | 166.9° | 172.7° |
| O4 | C6 | H6 | H7 | 121.9° | 120.0° |
| H6 | C6 | O4 | H11 | 60.6° | 60.1° |
| H7 | C6 | O4 | H11 | 60.7° | 60.0° |
| C8 | C7 | O5 | N1 | 179.9° | 180.0° |
| C7 | C8 | H8 | H9 | 120.0° | 120.0° |
| C7 | C8 | H8 | H10 | 120.0° | 120.1° |
| C7 | C8 | H9 | H10 | 120.0° | 120.1° |
| C8 | C7 | N1 | H12 | 5.4° | 0.0° |
| O5 | C7 | C8 | H8 | 0.0° | 0.0° |
| O5 | C7 | C8 | H9 | 120.0° | 120.0° |
| O5 | C7 | C8 | H10 | 120.0° | 120.0° |
| O5 | C7 | N1 | H12 | 174.5° | 180.0° |
| N1 | C7 | C8 | H8 | 179.9° | 180.0° |
| N1 | C7 | C8 | H9 | 59.9° | 60.1° |
| N1 | C7 | C8 | H10 | 60.0° | 60.0° |
| H8 | C8 | H9 | H10 | 120.0° | 120.0° |
| C10 | C9 | O10 | H14 | 119.9° | 120.0° |
| C10 | C9 | O10 | O3 | 120.5° | 120.0° |
| C10 | C9 | H14 | O3 | 117.1° | 120.0° |
| C9 | C10 | C11 | O7 | 116.4° | 119.9° |
| C9 | C10 | C11 | H15 | 121.7° | 119.9° |
| C9 | C10 | O7 | H15 | 122.1° | 120.1° |
| C9 | C10 | C11 | C12 | 56.8° | 57.0° |
| C9 | C10 | C11 | O8 | 178.3° | 176.8° |
| C9 | C10 | C11 | H16 | 63.8° | 62.9° |
| C10 | C9 | O10 | C13 | 58.3° | 61.1° |
| C9 | C10 | O7 | C15 | 142.1° | 159.6° |
| O10 | C9 | H14 | O3 | 120.5° | 120.0° |
| O10 | C9 | C10 | C11 | 56.2° | 57.6° |
| O10 | C9 | C10 | O7 | 172.2° | 177.5° |
| O10 | C9 | C10 | H15 | 65.3° | 62.4° |
| C9 | O10 | C13 | C12 | 57.9° | 61.2° |
| C9 | O10 | C13 | C14 | 177.1° | 178.9° |
| C9 | O10 | C13 | H18 | 62.9° | 58.9° |
| H14 | C9 | C10 | C11 | 64.0° | 62.4° |
| H14 | C9 | C10 | O7 | 52.0° | 57.5° |
| H14 | C9 | C10 | H15 | 174.4° | 177.7° |
| H14 | C9 | O10 | C13 | 61.6° | 58.9° |
| C11 | C10 | O7 | H15 | 121.5° | 120.2° |
| C10 | C11 | C12 | O8 | 117.7° | 119.8° |
| C10 | C11 | C12 | H16 | 120.8° | 119.9° |
| C10 | C11 | O8 | H16 | 117.7° | 120.3° |
| C10 | C11 | C12 | C13 | 57.5° | 57.0° |
| C10 | C11 | C12 | O9 | 64.8° | 62.9° |
| C10 | C11 | C12 | H17 | 175.8° | 176.9° |
| C11 | C10 | C9 | O3 | 178.2° | 177.6° |
| C11 | C10 | O7 | C15 | 101.5° | 80.7° |
| C10 | C11 | O8 | C21 | 175.7° | 164.6° |
| O7 | C10 | C11 | C12 | 173.1° | 176.9° |
| O7 | C10 | C11 | O8 | 65.3° | 63.3° |
| O7 | C10 | C11 | H16 | 52.6° | 57.0° |
| C10 | O7 | C15 | C16 | 170.6° | 179.8° |
| C10 | O7 | C15 | O15 | 67.7° | 59.8° |
| C10 | O7 | C15 | H23 | 51.8° | 60.2° |
| O7 | C10 | C9 | O3 | 65.9° | 62.5° |
| H15 | C10 | C11 | C12 | 64.9° | 62.9° |
| H15 | C10 | C11 | O8 | 56.6° | 56.9° |
| H15 | C10 | C11 | H16 | 174.5° | 177.2° |
| H15 | C10 | C9 | O3 | 56.6° | 57.6° |
| H15 | C10 | O7 | C15 | 20.0° | 39.5° |
| C12 | C11 | O8 | H16 | 121.1° | 120.2° |
| C11 | C12 | C13 | O9 | 120.7° | 119.9° |
| C11 | C12 | C13 | H17 | 118.1° | 119.8° |
| C11 | C12 | O9 | H17 | 119.0° | 120.2° |
| C11 | C12 | C13 | C14 | 176.2° | 177.6° |
| C11 | C12 | C13 | O10 | 56.3° | 57.7° |
| C11 | C12 | C13 | H18 | 65.0° | 62.4° |
| C11 | C12 | O9 | H21 | 180.0° | 180.0° |
| C12 | C11 | O8 | C21 | 63.1° | 75.9° |
| O8 | C11 | C12 | C13 | 175.2° | 176.9° |
| O8 | C11 | C12 | O9 | 52.9° | 56.9° |
| O8 | C11 | C12 | H17 | 66.5° | 63.3° |
| C11 | O8 | C21 | O16 | 40.1° | 69.6° |
| C11 | O8 | C21 | C22 | 162.9° | 170.4° |
| C11 | O8 | C21 | H34 | 80.2° | 50.3° |
| H16 | C11 | C12 | C13 | 63.3° | 62.9° |
| H16 | C11 | C12 | O9 | 174.4° | 177.2° |
| H16 | C11 | C12 | H17 | 55.1° | 56.9° |
| H16 | C11 | O8 | C21 | 58.0° | 44.3° |
| C13 | C12 | O9 | H17 | 121.0° | 120.2° |
| C12 | C13 | C14 | O10 | 120.5° | 120.0° |
| C12 | C13 | C14 | H18 | 118.8° | 120.0° |
| C12 | C13 | O10 | H18 | 120.8° | 120.1° |
| C12 | C13 | C14 | O11 | 168.8° | 175.1° |
| C12 | C13 | C14 | H19 | 49.5° | 55.0° |
| C12 | C13 | C14 | H20 | 72.0° | 65.0° |
| C13 | C12 | O9 | H21 | 60.0° | 60.3° |
| O9 | C12 | C13 | C14 | 55.5° | 57.7° |
| O9 | C12 | C13 | O10 | 64.4° | 62.3° |
| O9 | C12 | C13 | H18 | 174.3° | 177.7° |
| H17 | C12 | C13 | C14 | 65.7° | 62.6° |
| H17 | C12 | C13 | O10 | 174.4° | 177.5° |
| H17 | C12 | C13 | H18 | 53.1° | 57.4° |
| H17 | C12 | O9 | H21 | 61.0° | 59.9° |
| C14 | C13 | O10 | H18 | 120.0° | 120.0° |
| C13 | C14 | O11 | H19 | 119.3° | 120.1° |
| C13 | C14 | O11 | H20 | 119.3° | 120.0° |
| C13 | C14 | H19 | H20 | 122.1° | 120.0° |
| C13 | C14 | O11 | H22 | 180.0° | 180.0° |
| O10 | C13 | C14 | O11 | 70.7° | 65.0° |
| O10 | C13 | C14 | H19 | 170.0° | 175.0° |
| O10 | C13 | C14 | H20 | 48.6° | 55.0° |
| C13 | O10 | C9 | O3 | 178.8° | 178.9° |
| H18 | C13 | C14 | O11 | 50.0° | 55.0° |
| H18 | C13 | C14 | H19 | 69.3° | 65.0° |
| H18 | C13 | C14 | H20 | 169.2° | 175.0° |
| O11 | C14 | H19 | H20 | 122.1° | 120.0° |
| H19 | C14 | O11 | H22 | 60.7° | 59.9° |
| H20 | C14 | O11 | H22 | 60.8° | 60.1° |
| C16 | C15 | O15 | H23 | 119.3° | 120.0° |
| C16 | C15 | O15 | O7 | 120.8° | 120.0° |
| C16 | C15 | H23 | O7 | 119.6° | 120.0° |
| C15 | C16 | C17 | O12 | 119.4° | 120.0° |
| C15 | C16 | C17 | H24 | 119.6° | 119.8° |
| C15 | C16 | O12 | H24 | 120.1° | 120.2° |
| C15 | C16 | C17 | C18 | 52.0° | 57.0° |
| C15 | C16 | C17 | O13 | 172.4° | 176.8° |
| C15 | C16 | C17 | H25 | 67.2° | 62.9° |
| C16 | C15 | O15 | C19 | 56.8° | 61.1° |
| C15 | C16 | O12 | H31 | 180.0° | 63.2° |
| O15 | C15 | H23 | O7 | 119.4° | 120.0° |
| O15 | C15 | C16 | C17 | 50.2° | 57.6° |
| O15 | C15 | C16 | O12 | 169.4° | 177.5° |
| O15 | C15 | C16 | H24 | 69.5° | 62.2° |
| C15 | O15 | C19 | C18 | 61.3° | 61.2° |
| C15 | O15 | C19 | C20 | 178.1° | 178.8° |
| C15 | O15 | C19 | H27 | 59.3° | 58.8° |
| H23 | C15 | C16 | C17 | 170.0° | 177.6° |
| H23 | C15 | C16 | O12 | 70.8° | 62.5° |
| H23 | C15 | C16 | H24 | 50.3° | 57.8° |
| H23 | C15 | O15 | C19 | 176.1° | 178.9° |
| C17 | C16 | O12 | H24 | 120.2° | 120.1° |
| C16 | C17 | C18 | O13 | 121.5° | 119.9° |
| C16 | C17 | C18 | H25 | 119.2° | 119.9° |
| C16 | C17 | O13 | H25 | 119.4° | 120.2° |
| C16 | C17 | C18 | C19 | 56.8° | 57.0° |
| C16 | C17 | C18 | O14 | 64.4° | 62.9° |
| C16 | C17 | C18 | H26 | 175.8° | 176.9° |
| C17 | C16 | O12 | H31 | 60.3° | 177.1° |
| C16 | C17 | O13 | H32 | 180.0° | 60.0° |
| C17 | C16 | C15 | O7 | 70.4° | 62.4° |
| O12 | C16 | C17 | C18 | 171.4° | 176.9° |
| O12 | C16 | C17 | O13 | 68.2° | 63.2° |
| O12 | C16 | C17 | H25 | 52.2° | 57.1° |
| O12 | C16 | C15 | O7 | 48.9° | 57.5° |
| H24 | C16 | C17 | C18 | 67.6° | 62.9° |
| H24 | C16 | C17 | O13 | 52.8° | 57.0° |
| H24 | C16 | C17 | H25 | 173.2° | 177.2° |
| H24 | C16 | O12 | H31 | 59.9° | 57.0° |
| H24 | C16 | C15 | O7 | 170.0° | 177.8° |
| C18 | C17 | O13 | H25 | 118.3° | 120.2° |
| C17 | C18 | C19 | O14 | 119.4° | 119.9° |
| C17 | C18 | C19 | H26 | 118.9° | 119.9° |
| C17 | C18 | O14 | H26 | 118.8° | 120.1° |
| C17 | C18 | C19 | C20 | 178.1° | 177.6° |
| C17 | C18 | C19 | O15 | 59.9° | 57.6° |
| C17 | C18 | C19 | H27 | 61.5° | 62.4° |
| C18 | C17 | O13 | H32 | 57.7° | 179.6° |
| C17 | C18 | O14 | H33 | 180.0° | 180.0° |
| O13 | C17 | C18 | C19 | 178.3° | 176.8° |
| O13 | C17 | C18 | O14 | 57.1° | 56.9° |
| O13 | C17 | C18 | H26 | 62.7° | 63.3° |
| H25 | C17 | C18 | C19 | 62.4° | 62.9° |
| H25 | C17 | C18 | O14 | 176.4° | 177.2° |
| H25 | C17 | C18 | H26 | 56.7° | 57.0° |
| H25 | C17 | O13 | H32 | 60.5° | 60.2° |
| C19 | C18 | O14 | H26 | 121.1° | 120.2° |
| C18 | C19 | C20 | O15 | 119.8° | 120.0° |
| C18 | C19 | C20 | H27 | 120.5° | 120.0° |
| C18 | C19 | O15 | H27 | 120.6° | 120.0° |
| C18 | C19 | C20 | H28 | 180.0° | 66.4° |
| C18 | C19 | C20 | H29 | 60.0° | 173.6° |
| C18 | C19 | C20 | H30 | 60.0° | 53.6° |
| C19 | C18 | O14 | H33 | 59.9° | 60.3° |
| O14 | C18 | C19 | C20 | 58.7° | 57.7° |
| O14 | C18 | C19 | O15 | 59.5° | 62.3° |
| O14 | C18 | C19 | H27 | 179.1° | 177.7° |
| H26 | C18 | C19 | C20 | 63.0° | 62.5° |
| H26 | C18 | C19 | O15 | 178.7° | 177.5° |
| H26 | C18 | C19 | H27 | 57.4° | 57.5° |
| H26 | C18 | O14 | H33 | 61.2° | 59.9° |
| C20 | C19 | O15 | H27 | 118.8° | 120.0° |
| C19 | C20 | H28 | H29 | 120.0° | 120.0° |
| C19 | C20 | H28 | H30 | 120.0° | 120.0° |
| C19 | C20 | H29 | H30 | 120.0° | 120.0° |
| O15 | C19 | C20 | H28 | 60.2° | 173.7° |
| O15 | C19 | C20 | H29 | 59.8° | 53.7° |
| O15 | C19 | C20 | H30 | 179.8° | 66.3° |
| C19 | O15 | C15 | O7 | 64.0° | 58.8° |
| H27 | C19 | C20 | H28 | 59.5° | 53.6° |
| H27 | C19 | C20 | H29 | 179.5° | 66.3° |
| H27 | C19 | C20 | H30 | 60.5° | 173.6° |
| H28 | C20 | H29 | H30 | 120.0° | 120.0° |
| C25 | O16 | C21 | C22 | 57.8° | 61.2° |
| C25 | O16 | C21 | H34 | 175.1° | 178.8° |
| O16 | C25 | C24 | C23 | 57.4° | 57.6° |
| O16 | C25 | C24 | O18 | 60.8° | 62.3° |
| O16 | C25 | C24 | H39 | 178.0° | 177.6° |
| O16 | C25 | C24 | C26 | 123.1° | 120.0° |
| O16 | C25 | C24 | H41 | 118.8° | 120.0° |
| O16 | C25 | C26 | H41 | 119.3° | 120.0° |
| O16 | C25 | C26 | O19 | 161.9° | 66.3° |
| O16 | C25 | C26 | H42 | 79.0° | 173.6° |
| O16 | C25 | C26 | H46 | 42.8° | 53.8° |
| C25 | O16 | C21 | O8 | 64.4° | 58.9° |
| O16 | C21 | C22 | H34 | 117.7° | 120.0° |
| O16 | C21 | C22 | O8 | 124.9° | 120.0° |
| O16 | C21 | H34 | O8 | 123.5° | 120.0° |
| O16 | C21 | C22 | C23 | 56.2° | 57.6° |
| O16 | C21 | C22 | H35 | 62.3° | 62.3° |
| O16 | C21 | C22 | N2 | 177.9° | 177.5° |
| C21 | O16 | C25 | C24 | 58.3° | 61.2° |
| C21 | O16 | C25 | C26 | 178.8° | 178.8° |
| C21 | O16 | C25 | H41 | 59.9° | 58.8° |
| C22 | C21 | H34 | O8 | 117.7° | 120.1° |
| C21 | C22 | C23 | H35 | 118.3° | 119.9° |
| C21 | C22 | C23 | N2 | 124.0° | 119.9° |
| C21 | C22 | H35 | N2 | 122.1° | 120.2° |
| C21 | C22 | N2 | H36 | 83.6° | 95.0° |
| C21 | C22 | C23 | C24 | 55.5° | 57.0° |
| C21 | C22 | C23 | O17 | 174.3° | 176.8° |
| C21 | C22 | C23 | H37 | 64.8° | 62.9° |
| C21 | C22 | N2 | C27 | 96.5° | 85.0° |
| H34 | C21 | C22 | C23 | 173.8° | 177.6° |
| H34 | C21 | C22 | H35 | 55.3° | 57.7° |
| H34 | C21 | C22 | N2 | 64.5° | 62.5° |
| C23 | C22 | H35 | N2 | 117.4° | 120.2° |
| C23 | C22 | N2 | H36 | 39.8° | 24.7° |
| C22 | C23 | C24 | O17 | 118.5° | 119.9° |
| C22 | C23 | C24 | H37 | 120.3° | 119.9° |
| C22 | C23 | O17 | H37 | 120.2° | 120.2° |
| C22 | C23 | O17 | H38 | 180.0° | 180.0° |
| C22 | C23 | C24 | O18 | 63.9° | 62.9° |
| C22 | C23 | C24 | H39 | 176.2° | 177.0° |
| C22 | C23 | C24 | C25 | 55.8° | 57.0° |
| C23 | C22 | N2 | C27 | 140.1° | 155.3° |
| C23 | C22 | C21 | O8 | 68.7° | 62.4° |
| H35 | C22 | N2 | H36 | 157.1° | 144.8° |
| H35 | C22 | C23 | C24 | 62.8° | 62.9° |
| H35 | C22 | C23 | O17 | 56.0° | 56.9° |
| H35 | C22 | C23 | H37 | 176.8° | 177.2° |
| H35 | C22 | N2 | C27 | 22.9° | 35.1° |
| H35 | C22 | C21 | O8 | 172.8° | 177.7° |
| C22 | N2 | H36 | C27 | 180.0° | 180.0° |
| N2 | C22 | C23 | C24 | 179.6° | 176.9° |
| N2 | C22 | C23 | O17 | 61.6° | 63.3° |
| N2 | C22 | C23 | H37 | 59.2° | 57.0° |
| C22 | N2 | C27 | O20 | 178.6° | 0.0° |
| C22 | N2 | C27 | C28 | 3.5° | 180.0° |
| N2 | C22 | C21 | O8 | 53.0° | 57.5° |
| H36 | N2 | C27 | O20 | 1.4° | 180.0° |
| H36 | N2 | C27 | C28 | 176.5° | 0.0° |
| C24 | C23 | O17 | H37 | 120.7° | 120.2° |
| C24 | C23 | O17 | H38 | 60.9° | 60.5° |
| C23 | C24 | O18 | H39 | 119.1° | 120.1° |
| C23 | C24 | O18 | C25 | 120.7° | 119.7° |
| C23 | C24 | H39 | C25 | 121.7° | 119.8° |
| C23 | C24 | O18 | H40 | 180.0° | 180.0° |
| C23 | C24 | C25 | C26 | 179.5° | 177.6° |
| C23 | C24 | C25 | H41 | 61.4° | 62.4° |
| O17 | C23 | C24 | O18 | 54.5° | 56.9° |
| O17 | C23 | C24 | H39 | 65.4° | 63.2° |
| O17 | C23 | C24 | C25 | 174.2° | 176.8° |
| H37 | C23 | O17 | H38 | 59.7° | 59.8° |
| H37 | C23 | C24 | O18 | 175.8° | 177.2° |
| H37 | C23 | C24 | H39 | 55.8° | 57.1° |
| H37 | C23 | C24 | C25 | 64.5° | 62.9° |
| O18 | C24 | H39 | C25 | 120.7° | 120.2° |
| O18 | C24 | C25 | C26 | 62.4° | 57.7° |
| O18 | C24 | C25 | H41 | 179.5° | 177.8° |
| H39 | C24 | O18 | H40 | 60.9° | 59.9° |
| H39 | C24 | C25 | C26 | 58.9° | 62.5° |
| H39 | C24 | C25 | H41 | 59.2° | 57.6° |
| H40 | O18 | C24 | C25 | 59.4° | 60.3° |
| C24 | C25 | C26 | H41 | 117.9° | 120.1° |
| C24 | C25 | C26 | O19 | 75.4° | 173.8° |
| C24 | C25 | C26 | H42 | 43.7° | 53.7° |
| C24 | C25 | C26 | H46 | 165.5° | 66.2° |
| C25 | C26 | O19 | H42 | 119.1° | 120.0° |
| C25 | C26 | O19 | H46 | 119.1° | 120.0° |
| C25 | C26 | H42 | H46 | 122.6° | 119.9° |
| C25 | C26 | O19 | H47 | 180.0° | 180.0° |
| H41 | C25 | C26 | O19 | 42.6° | 53.7° |
| H41 | C25 | C26 | H42 | 161.6° | 66.4° |
| H41 | C25 | C26 | H46 | 76.6° | 173.7° |
| O19 | C26 | H42 | H46 | 122.6° | 120.0° |
| H42 | C26 | O19 | H47 | 60.9° | 60.0° |
| N2 | C27 | O20 | C28 | 177.8° | 180.0° |
| N2 | C27 | C28 | H43 | 177.9° | 60.0° |
| N2 | C27 | C28 | H44 | 57.9° | 180.0° |
| N2 | C27 | C28 | H45 | 62.1° | 60.0° |
| O20 | C27 | C28 | H43 | 0.0° | 120.0° |
| O20 | C27 | C28 | H44 | 120.0° | 0.0° |
| O20 | C27 | C28 | H45 | 120.0° | 120.0° |
| C27 | C28 | H43 | H44 | 120.0° | 119.9° |
| C27 | C28 | H43 | H45 | 120.0° | 120.0° |
| C27 | C28 | H44 | H45 | 120.0° | 120.0° |
| H43 | C28 | H44 | H45 | 120.0° | 120.0° |
| H46 | C26 | O19 | H47 | 60.9° | 60.0° |
| C30 | C29 | O24 | H48 | 119.9° | 120.0° |
| C30 | C29 | O24 | O2 | 120.4° | 119.9° |
| C30 | C29 | H48 | O2 | 117.9° | 119.9° |
| C29 | C30 | C31 | O21 | 119.3° | 120.0° |
| C29 | C30 | C31 | H49 | 118.6° | 119.9° |
| C29 | C30 | O21 | H49 | 119.0° | 120.1° |
| C29 | C30 | C31 | C32 | 56.0° | 56.9° |
| C29 | C30 | C31 | O22 | 177.2° | 176.8° |
| C29 | C30 | C31 | H50 | 62.8° | 62.9° |
| C30 | C29 | O24 | C33 | 57.1° | 61.1° |
| C29 | C30 | O21 | H56 | 180.0° | 60.0° |
| O24 | C29 | H48 | O2 | 120.0° | 120.1° |
| O24 | C29 | C30 | C31 | 57.2° | 57.6° |
| O24 | C29 | C30 | O21 | 177.9° | 177.5° |
| O24 | C29 | C30 | H49 | 61.9° | 62.3° |
| C29 | O24 | C33 | C32 | 53.8° | 61.2° |
| C29 | O24 | C33 | C34 | 178.0° | 178.8° |
| C29 | O24 | C33 | H52 | 64.0° | 58.9° |
| H48 | C29 | C30 | C31 | 178.0° | 177.6° |
| H48 | C29 | C30 | O21 | 61.2° | 62.5° |
| H48 | C29 | C30 | H49 | 58.9° | 57.7° |
| H48 | C29 | O24 | C33 | 177.1° | 178.9° |
| C31 | C30 | O21 | H49 | 121.6° | 120.1° |
| C30 | C31 | C32 | O22 | 120.2° | 119.9° |
| C30 | C31 | C32 | H50 | 119.1° | 119.9° |
| C30 | C31 | O22 | H50 | 119.4° | 120.3° |
| C30 | C31 | C32 | C33 | 54.4° | 56.9° |
| C30 | C31 | C32 | O23 | 69.8° | 63.0° |
| C30 | C31 | C32 | H51 | 171.6° | 176.9° |
| C31 | C30 | O21 | H56 | 60.6° | 179.8° |
| C30 | C31 | O22 | H57 | 180.0° | 60.0° |
| C31 | C30 | C29 | O2 | 63.8° | 62.4° |
| O21 | C30 | C31 | C32 | 175.3° | 176.9° |
| O21 | C30 | C31 | O22 | 63.5° | 63.2° |
| O21 | C30 | C31 | H50 | 56.5° | 57.0° |
| O21 | C30 | C29 | O2 | 57.0° | 57.5° |
| H49 | C30 | C31 | C32 | 62.6° | 62.9° |
| H49 | C30 | C31 | O22 | 58.6° | 56.9° |
| H49 | C30 | C31 | H50 | 178.6° | 177.2° |
| H49 | C30 | O21 | H56 | 60.9° | 60.1° |
| H49 | C30 | C29 | O2 | 177.1° | 177.7° |
| C32 | C31 | O22 | H50 | 119.8° | 120.2° |
| C31 | C32 | C33 | O23 | 124.7° | 119.9° |
| C31 | C32 | C33 | H51 | 117.2° | 119.9° |
| C31 | C32 | O23 | H51 | 118.1° | 120.1° |
| C31 | C32 | C33 | C34 | 175.4° | 177.6° |
| C31 | C32 | C33 | O24 | 51.6° | 57.6° |
| C31 | C32 | C33 | H52 | 67.3° | 62.4° |
| C32 | C31 | O22 | H57 | 59.2° | 179.6° |
| C31 | C32 | O23 | H58 | 180.0° | 180.0° |
| O22 | C31 | C32 | C33 | 174.6° | 176.8° |
| O22 | C31 | C32 | O23 | 50.4° | 56.9° |
| O22 | C31 | C32 | H51 | 68.2° | 63.2° |
| H50 | C31 | C32 | C33 | 64.8° | 62.9° |
| H50 | C31 | C32 | O23 | 171.1° | 177.2° |
| H50 | C31 | C32 | H51 | 52.4° | 57.0° |
| H50 | C31 | O22 | H57 | 60.6° | 60.3° |
| C33 | C32 | O23 | H51 | 117.5° | 120.2° |
| C32 | C33 | C34 | O24 | 124.3° | 120.0° |
| C32 | C33 | C34 | H52 | 116.9° | 120.0° |
| C32 | C33 | O24 | H52 | 117.8° | 120.1° |
| C32 | C33 | C34 | H53 | 180.0° | 66.4° |
| C32 | C33 | C34 | H54 | 60.0° | 173.6° |
| C32 | C33 | C34 | H55 | 60.0° | 53.6° |
| C33 | C32 | O23 | H58 | 55.6° | 60.3° |
| O23 | C32 | C33 | C34 | 50.8° | 57.7° |
| O23 | C32 | C33 | O24 | 73.1° | 62.3° |
| O23 | C32 | C33 | H52 | 168.0° | 177.7° |
| H51 | C32 | C33 | C34 | 67.3° | 62.5° |
| H51 | C32 | C33 | O24 | 168.8° | 177.5° |
| H51 | C32 | C33 | H52 | 49.9° | 57.5° |
| H51 | C32 | O23 | H58 | 61.9° | 59.9° |
| C34 | C33 | O24 | H52 | 118.0° | 120.0° |
| C33 | C34 | H53 | H54 | 120.0° | 120.1° |
| C33 | C34 | H53 | H55 | 120.0° | 120.0° |
| C33 | C34 | H54 | H55 | 120.0° | 120.0° |
| O24 | C33 | C34 | H53 | 55.7° | 173.7° |
| O24 | C33 | C34 | H54 | 64.3° | 53.7° |
| O24 | C33 | C34 | H55 | 175.7° | 66.4° |
| C33 | O24 | C29 | O2 | 63.2° | 58.8° |
| H52 | C33 | C34 | H53 | 63.1° | 53.7° |
| H52 | C33 | C34 | H54 | 177.0° | 66.3° |
| H52 | C33 | C34 | H55 | 56.9° | 173.6° |
| H53 | C34 | H54 | H55 | 120.0° | 119.9° |
