PRD_900126
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 | 1.39Å | |
| C1 | O4 | sing | 1.43Å | 1.41Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C2 | C3 | sing | 1.53Å | 1.52Å | |
| C2 | N1 | sing | 1.46Å | 1.47Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C3 | C4 | sing | 1.53Å | 1.55Å | |
| C3 | O2 | sing | 1.43Å | 1.41Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C4 | C5 | sing | 1.53Å | 1.55Å | |
| C4 | O3 | sing | 1.43Å | 1.40Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C5 | C6 | sing | 1.53Å | 1.55Å | |
| C5 | O4 | sing | 1.43Å | 1.42Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C6 | O5 | sing | 1.43Å | 1.43Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| C6 | H7 | sing | 1.09Å | 1.10Å | |
| C7 | C8 | sing | 1.51Å | 1.51Å | |
| C7 | N1 | sing | 1.35Å | 1.34Å | |
| C7 | O6 | doub | 1.21Å | 1.23Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| C8 | H9 | sing | 1.09Å | 1.10Å | |
| C8 | H10 | sing | 1.09Å | 1.10Å | |
| N1 | H11 | sing | 0.97Å | 1.00Å | |
| O1 | H12 | sing | 0.97Å | 0.95Å | |
| O5 | H13 | sing | 0.97Å | 0.95Å | |
| C9 | C10 | sing | 1.53Å | 1.56Å | |
| C9 | O10 | sing | 1.43Å | 1.43Å | |
| C9 | H14 | sing | 1.09Å | 1.10Å | |
| C10 | C11 | sing | 1.53Å | 1.55Å | |
| C10 | O7 | sing | 1.43Å | 1.44Å | |
| C10 | H15 | sing | 1.09Å | 1.10Å | |
| C11 | C12 | sing | 1.53Å | 1.54Å | |
| C11 | O8 | sing | 1.43Å | 1.41Å | |
| C11 | H16 | sing | 1.09Å | 1.10Å | |
| C12 | C13 | sing | 1.53Å | 1.53Å | |
| C12 | O9 | sing | 1.43Å | 1.42Å | |
| C12 | H17 | sing | 1.09Å | 1.10Å | |
| C13 | C14 | sing | 1.53Å | 1.53Å | |
| C13 | O10 | sing | 1.43Å | 1.43Å | |
| 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 | 1.55Å | |
| C15 | O15 | sing | 1.43Å | 1.41Å | |
| C15 | H23 | sing | 1.09Å | 1.10Å | |
| C16 | C17 | sing | 1.53Å | 1.53Å | |
| C16 | O12 | sing | 1.43Å | 1.40Å | |
| C16 | H24 | sing | 1.09Å | 1.10Å | |
| C17 | C18 | sing | 1.53Å | 1.51Å | |
| C17 | O13 | sing | 1.43Å | 1.42Å | |
| C17 | H25 | sing | 1.09Å | 1.10Å | |
| C18 | C19 | sing | 1.53Å | 1.54Å | |
| C18 | O14 | sing | 1.43Å | 1.44Å | |
| C18 | H26 | sing | 1.09Å | 1.10Å | |
| C19 | C20 | sing | 1.53Å | 1.52Å | |
| C19 | O15 | sing | 1.43Å | 1.42Å | |
| 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 | 1.42Å | |
| C21 | C22 | sing | 1.53Å | 1.54Å | |
| C21 | H34 | sing | 1.09Å | 1.10Å | |
| C22 | C23 | sing | 1.53Å | 1.53Å | |
| C22 | H35 | sing | 1.09Å | 1.10Å | |
| N2 | C22 | sing | 1.47Å | 1.45Å | |
| N2 | H36 | sing | 0.97Å | 1.00Å | |
| C23 | C24 | sing | 1.53Å | 1.53Å | |
| C23 | O17 | sing | 1.43Å | 1.43Å | |
| 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 | 1.53Å | |
| C25 | C26 | sing | 1.53Å | 1.51Å | |
| C25 | H41 | sing | 1.09Å | 1.10Å | |
| C26 | O19 | sing | 1.43Å | 1.42Å | |
| C26 | H42 | sing | 1.09Å | 1.10Å | |
| C27 | N2 | sing | 1.35Å | 1.33Å | |
| O20 | C27 | doub | 1.21Å | 1.21Å | |
| C28 | C27 | sing | 1.51Å | 1.51Å | |
| 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 | 1.52Å | |
| C29 | O24 | sing | 1.43Å | 1.42Å | |
| C29 | H48 | sing | 1.09Å | 1.10Å | |
| C30 | C31 | sing | 1.53Å | 1.52Å | |
| C30 | O21 | sing | 1.43Å | 1.39Å | |
| C30 | H49 | sing | 1.09Å | 1.10Å | |
| C31 | C32 | sing | 1.53Å | 1.54Å | |
| C31 | O22 | sing | 1.43Å | 1.42Å | |
| C31 | H50 | sing | 1.09Å | 1.10Å | |
| C32 | C33 | sing | 1.53Å | 1.54Å | |
| C32 | O23 | sing | 1.43Å | 1.42Å | |
| C32 | H51 | sing | 1.09Å | 1.10Å | |
| C33 | C34 | sing | 1.53Å | 1.53Å | |
| C33 | O24 | sing | 1.43Å | 1.44Å | |
| 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 | |
| O2 | C9 | sing | 1.43Å | 1.46Å | |
| O3 | C29 | sing | 1.43Å | 1.45Å | |
| O7 | C15 | sing | 1.43Å | 1.47Å | |
| O8 | C21 | sing | 1.43Å | 1.45Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | O1 | 114.3° | 109.4° |
| C2 | C1 | O4 | 106.2° | 109.4° |
| C2 | C1 | H1 | 108.5° | 109.5° |
| C1 | C2 | C3 | 103.4° | 109.2° |
| C1 | C2 | N1 | 117.9° | 109.5° |
| C1 | C2 | H2 | 107.4° | 109.5° |
| O1 | C1 | O4 | 107.1° | 109.5° |
| O1 | C1 | H1 | 110.5° | 109.5° |
| C1 | O1 | H12 | 109.5° | 114.0° |
| O4 | C1 | H1 | 110.1° | 109.5° |
| C1 | O4 | C5 | 110.3° | 114.1° |
| C3 | C2 | N1 | 112.0° | 109.5° |
| C3 | C2 | H2 | 107.5° | 109.5° |
| C2 | C3 | C4 | 109.6° | 109.1° |
| C2 | C3 | O2 | 109.6° | 109.6° |
| C2 | C3 | H3 | 107.7° | 109.5° |
| N1 | C2 | H2 | 108.2° | 109.5° |
| C2 | N1 | C7 | 123.0° | 120.0° |
| C2 | N1 | H11 | 118.5° | 120.0° |
| C4 | C3 | O2 | 113.2° | 109.5° |
| C4 | C3 | H3 | 107.4° | 109.5° |
| C3 | C4 | C5 | 115.1° | 109.2° |
| C3 | C4 | O3 | 107.4° | 109.5° |
| C3 | C4 | H4 | 107.7° | 109.5° |
| O2 | C3 | H3 | 109.2° | 109.6° |
| C3 | O2 | C9 | 115.3° | 114.0° |
| C5 | C4 | O3 | 109.4° | 109.5° |
| C5 | C4 | H4 | 107.6° | 109.5° |
| C4 | C5 | C6 | 118.0° | 109.5° |
| C4 | C5 | O4 | 106.0° | 109.4° |
| C4 | C5 | H5 | 107.3° | 109.5° |
| O3 | C4 | H4 | 109.6° | 109.6° |
| C4 | O3 | C29 | 113.7° | 114.0° |
| C6 | C5 | O4 | 108.8° | 109.5° |
| C6 | C5 | H5 | 107.4° | 109.5° |
| C5 | C6 | O5 | 112.7° | 109.4° |
| C5 | C6 | H6 | 108.7° | 109.4° |
| C5 | C6 | H7 | 108.7° | 109.5° |
| O4 | C5 | H5 | 109.0° | 109.5° |
| O5 | C6 | H6 | 108.6° | 109.5° |
| O5 | C6 | H7 | 108.6° | 109.5° |
| C6 | O5 | H13 | 109.5° | 114.0° |
| H6 | C6 | H7 | 109.4° | 109.5° |
| C8 | C7 | N1 | 118.6° | 120.1° |
| C8 | C7 | O6 | 118.5° | 120.0° |
| C7 | C8 | H8 | 109.5° | 109.5° |
| C7 | C8 | H9 | 109.5° | 109.5° |
| C7 | C8 | H10 | 109.4° | 109.4° |
| N1 | C7 | O6 | 123.0° | 119.9° |
| C7 | N1 | H11 | 118.5° | 120.0° |
| H8 | C8 | H9 | 109.5° | 109.5° |
| H8 | C8 | H10 | 109.5° | 109.4° |
| H9 | C8 | H10 | 109.4° | 109.5° |
| C10 | C9 | O10 | 113.3° | 109.4° |
| C10 | C9 | H14 | 106.5° | 109.5° |
| C9 | C10 | C11 | 113.3° | 109.1° |
| C9 | C10 | O7 | 111.2° | 109.5° |
| C9 | C10 | H15 | 105.8° | 109.6° |
| C10 | C9 | O2 | 107.2° | 109.4° |
| O10 | C9 | H14 | 108.1° | 109.5° |
| C9 | O10 | C13 | 114.1° | 114.1° |
| O10 | C9 | O2 | 113.6° | 109.5° |
| H14 | C9 | O2 | 107.8° | 109.5° |
| C11 | C10 | O7 | 112.7° | 109.5° |
| C11 | C10 | H15 | 106.0° | 109.5° |
| C10 | C11 | C12 | 111.6° | 109.0° |
| C10 | C11 | O8 | 107.0° | 109.5° |
| C10 | C11 | H16 | 109.1° | 109.6° |
| O7 | C10 | H15 | 107.2° | 109.6° |
| C10 | O7 | C15 | 113.6° | 113.9° |
| C12 | C11 | O8 | 108.9° | 109.5° |
| C12 | C11 | H16 | 109.2° | 109.6° |
| C11 | C12 | C13 | 109.6° | 109.1° |
| C11 | C12 | O9 | 111.5° | 109.5° |
| C11 | C12 | H17 | 107.7° | 109.5° |
| O8 | C11 | H16 | 111.1° | 109.6° |
| C11 | O8 | C21 | 117.9° | 114.0° |
| C13 | C12 | O9 | 110.8° | 109.5° |
| C13 | C12 | H17 | 107.8° | 109.5° |
| C12 | C13 | C14 | 109.1° | 109.5° |
| C12 | C13 | O10 | 109.6° | 109.4° |
| C12 | C13 | H18 | 108.0° | 109.5° |
| O9 | C12 | H17 | 109.3° | 109.6° |
| C12 | O9 | H21 | 109.5° | 114.0° |
| C14 | C13 | O10 | 112.7° | 109.5° |
| C14 | C13 | H18 | 108.0° | 109.5° |
| C13 | C14 | O11 | 106.8° | 109.4° |
| C13 | C14 | H19 | 110.1° | 109.5° |
| C13 | C14 | H20 | 110.1° | 109.5° |
| O10 | C13 | H18 | 109.3° | 109.4° |
| O11 | C14 | H19 | 110.1° | 109.5° |
| O11 | C14 | H20 | 110.1° | 109.4° |
| C14 | O11 | H22 | 109.5° | 114.0° |
| H19 | C14 | H20 | 109.5° | 109.5° |
| C16 | C15 | O15 | 107.6° | 109.4° |
| C16 | C15 | H23 | 107.1° | 109.5° |
| C15 | C16 | C17 | 112.6° | 109.2° |
| C15 | C16 | O12 | 110.4° | 109.5° |
| C15 | C16 | H24 | 107.9° | 109.5° |
| C16 | C15 | O7 | 115.2° | 109.5° |
| O15 | C15 | H23 | 108.9° | 109.5° |
| C15 | O15 | C19 | 112.0° | 114.1° |
| O15 | C15 | O7 | 109.9° | 109.5° |
| H23 | C15 | O7 | 108.1° | 109.5° |
| C17 | C16 | O12 | 108.0° | 109.5° |
| C17 | C16 | H24 | 108.2° | 109.5° |
| C16 | C17 | C18 | 108.2° | 109.0° |
| C16 | C17 | O13 | 112.5° | 109.5° |
| C16 | C17 | H25 | 108.8° | 109.6° |
| O12 | C16 | H24 | 109.8° | 109.6° |
| C16 | O12 | H31 | 109.5° | 114.0° |
| C18 | C17 | O13 | 107.8° | 109.6° |
| C18 | C17 | H25 | 109.1° | 109.5° |
| C17 | C18 | C19 | 107.7° | 109.2° |
| C17 | C18 | O14 | 104.4° | 109.5° |
| C17 | C18 | H26 | 109.6° | 109.5° |
| O13 | C17 | H25 | 110.3° | 109.6° |
| C17 | O13 | H32 | 109.5° | 114.0° |
| C19 | C18 | O14 | 115.1° | 109.5° |
| C19 | C18 | H26 | 109.2° | 109.5° |
| C18 | C19 | C20 | 116.9° | 109.5° |
| C18 | C19 | O15 | 110.5° | 109.4° |
| C18 | C19 | H27 | 107.4° | 109.5° |
| O14 | C18 | H26 | 110.6° | 109.6° |
| C18 | O14 | H33 | 109.5° | 113.9° |
| C20 | C19 | O15 | 105.4° | 109.4° |
| C20 | C19 | H27 | 107.6° | 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 | 108.8° | 109.5° |
| H28 | C20 | H29 | 109.5° | 109.5° |
| H28 | C20 | H30 | 109.5° | 109.4° |
| H29 | C20 | H30 | 109.5° | 109.5° |
| C25 | O16 | C21 | 115.0° | 114.1° |
| O16 | C25 | C24 | 116.4° | 109.4° |
| O16 | C25 | C26 | 108.0° | 109.5° |
| O16 | C25 | H41 | 108.1° | 109.5° |
| O16 | C21 | C22 | 110.3° | 109.4° |
| O16 | C21 | H34 | 110.1° | 109.5° |
| O16 | C21 | O8 | 110.7° | 109.5° |
| C22 | C21 | H34 | 108.5° | 109.5° |
| C21 | C22 | C23 | 111.2° | 109.2° |
| C21 | C22 | H35 | 108.7° | 109.6° |
| C21 | C22 | N2 | 106.8° | 109.5° |
| C22 | C21 | O8 | 107.4° | 109.5° |
| H34 | C21 | O8 | 109.8° | 109.5° |
| C23 | C22 | H35 | 108.8° | 109.6° |
| C23 | C22 | N2 | 111.2° | 109.5° |
| C22 | C23 | C24 | 109.6° | 109.0° |
| C22 | C23 | O17 | 113.3° | 109.6° |
| C22 | C23 | H37 | 107.7° | 109.6° |
| H35 | C22 | N2 | 110.0° | 109.6° |
| C22 | N2 | H36 | 118.9° | 120.0° |
| C22 | N2 | C27 | 122.2° | 120.0° |
| H36 | N2 | C27 | 118.9° | 120.0° |
| C24 | C23 | O17 | 109.5° | 109.5° |
| C24 | C23 | H37 | 107.7° | 109.6° |
| C23 | C24 | O18 | 110.6° | 109.5° |
| C23 | C24 | H39 | 108.0° | 109.6° |
| C23 | C24 | C25 | 110.1° | 109.1° |
| O17 | C23 | H37 | 109.0° | 109.6° |
| C23 | O17 | H38 | 109.5° | 114.0° |
| O18 | C24 | H39 | 109.3° | 109.6° |
| C24 | O18 | H40 | 109.5° | 114.0° |
| O18 | C24 | C25 | 110.7° | 109.5° |
| H39 | C24 | C25 | 108.0° | 109.5° |
| C24 | C25 | C26 | 109.0° | 109.4° |
| C24 | C25 | H41 | 107.4° | 109.5° |
| C26 | C25 | H41 | 107.6° | 109.5° |
| C25 | C26 | O19 | 103.2° | 109.5° |
| C25 | C26 | H42 | 111.0° | 109.5° |
| C25 | C26 | H46 | 111.0° | 109.5° |
| O19 | C26 | H42 | 111.0° | 109.5° |
| O19 | C26 | H46 | 111.0° | 109.4° |
| C26 | O19 | H47 | 109.5° | 114.0° |
| H42 | C26 | H46 | 109.5° | 109.5° |
| N2 | C27 | O20 | 119.4° | 120.0° |
| N2 | C27 | C28 | 118.9° | 120.0° |
| O20 | C27 | C28 | 121.6° | 120.0° |
| C27 | C28 | H43 | 109.5° | 109.5° |
| C27 | C28 | H44 | 109.5° | 109.5° |
| C27 | C28 | H45 | 109.5° | 109.5° |
| H43 | C28 | H44 | 109.4° | 109.5° |
| H43 | C28 | H45 | 109.5° | 109.4° |
| H44 | C28 | H45 | 109.5° | 109.5° |
| C30 | C29 | O24 | 110.3° | 109.4° |
| C30 | C29 | H48 | 108.4° | 109.5° |
| C29 | C30 | C31 | 106.9° | 109.2° |
| C29 | C30 | O21 | 107.1° | 109.5° |
| C29 | C30 | H49 | 111.3° | 109.6° |
| C30 | C29 | O3 | 104.5° | 109.4° |
| O24 | C29 | H48 | 109.7° | 109.5° |
| C29 | O24 | C33 | 116.1° | 114.1° |
| O24 | C29 | O3 | 114.3° | 109.5° |
| H48 | C29 | O3 | 109.3° | 109.5° |
| C31 | C30 | O21 | 106.5° | 109.5° |
| C31 | C30 | H49 | 111.2° | 109.5° |
| C30 | C31 | C32 | 106.3° | 109.0° |
| C30 | C31 | O22 | 113.5° | 109.6° |
| C30 | C31 | H50 | 106.4° | 109.6° |
| O21 | C30 | H49 | 113.4° | 109.6° |
| C30 | O21 | H56 | 109.5° | 114.0° |
| C32 | C31 | O22 | 116.3° | 109.6° |
| C32 | C31 | H50 | 106.2° | 109.5° |
| C31 | C32 | C33 | 109.5° | 109.2° |
| C31 | C32 | O23 | 112.6° | 109.5° |
| C31 | C32 | H51 | 107.9° | 109.5° |
| O22 | C31 | H50 | 107.6° | 109.6° |
| C31 | O22 | H57 | 109.5° | 114.0° |
| C33 | C32 | O23 | 109.3° | 109.5° |
| C33 | C32 | H51 | 107.9° | 109.5° |
| C32 | C33 | C34 | 111.6° | 109.5° |
| C32 | C33 | O24 | 111.9° | 109.4° |
| C32 | C33 | H52 | 106.7° | 109.5° |
| O23 | C32 | H51 | 109.5° | 109.6° |
| C32 | O23 | H58 | 109.5° | 114.1° |
| C34 | C33 | O24 | 111.8° | 109.4° |
| C34 | C33 | H52 | 106.8° | 109.5° |
| C33 | C34 | H53 | 109.5° | 109.4° |
| C33 | C34 | H54 | 109.5° | 109.5° |
| C33 | C34 | H55 | 109.5° | 109.5° |
| O24 | C33 | H52 | 107.9° | 109.5° |
| H53 | C34 | H54 | 109.4° | 109.5° |
| 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 | O4 | 117.4° | 119.9° |
| C2 | C1 | O1 | H1 | 122.7° | 120.0° |
| C2 | C1 | O4 | H1 | 117.3° | 120.0° |
| C1 | C2 | C3 | N1 | 127.9° | 119.9° |
| C1 | C2 | C3 | H2 | 113.4° | 119.9° |
| C1 | C2 | N1 | H2 | 122.0° | 120.1° |
| C1 | C2 | C3 | C4 | 55.4° | 57.0° |
| C1 | C2 | C3 | O2 | 179.9° | 176.8° |
| C1 | C2 | C3 | H3 | 61.2° | 62.9° |
| C2 | C1 | O4 | C5 | 79.8° | 61.2° |
| C1 | C2 | N1 | C7 | 120.9° | 85.0° |
| C1 | C2 | N1 | H11 | 59.1° | 95.0° |
| C2 | C1 | O1 | H12 | 180.0° | 180.0° |
| O1 | C1 | O4 | H1 | 120.2° | 120.1° |
| O1 | C1 | C2 | C3 | 170.1° | 177.6° |
| O1 | C1 | C2 | N1 | 45.9° | 62.5° |
| O1 | C1 | C2 | H2 | 76.5° | 57.7° |
| O1 | C1 | O4 | C5 | 157.6° | 178.9° |
| O4 | C1 | C2 | C3 | 72.0° | 57.6° |
| O4 | C1 | C2 | N1 | 163.8° | 177.5° |
| O4 | C1 | C2 | H2 | 41.4° | 62.3° |
| C1 | O4 | C5 | C4 | 62.7° | 61.2° |
| C1 | O4 | C5 | C6 | 169.4° | 178.9° |
| C1 | O4 | C5 | H5 | 52.5° | 58.8° |
| O4 | C1 | O1 | H12 | 62.6° | 60.1° |
| H1 | C1 | C2 | C3 | 46.3° | 62.4° |
| H1 | C1 | C2 | N1 | 77.9° | 57.5° |
| H1 | C1 | C2 | H2 | 159.7° | 177.7° |
| H1 | C1 | O4 | C5 | 37.4° | 58.8° |
| H1 | C1 | O1 | H12 | 57.3° | 60.0° |
| C3 | C2 | N1 | H2 | 118.3° | 120.2° |
| C2 | C3 | C4 | O2 | 122.6° | 119.9° |
| C2 | C3 | C4 | H3 | 116.8° | 119.8° |
| C2 | C3 | O2 | H3 | 117.8° | 120.2° |
| C2 | C3 | C4 | C5 | 46.7° | 57.0° |
| C2 | C3 | C4 | O3 | 168.8° | 176.9° |
| C2 | C3 | C4 | H4 | 73.3° | 62.9° |
| C3 | C2 | N1 | C7 | 119.4° | 155.3° |
| C3 | C2 | N1 | H11 | 60.6° | 24.7° |
| C2 | C3 | O2 | C9 | 102.4° | 101.6° |
| N1 | C2 | C3 | C4 | 176.7° | 176.9° |
| N1 | C2 | C3 | O2 | 51.9° | 63.2° |
| N1 | C2 | C3 | H3 | 66.7° | 57.0° |
| C2 | N1 | C7 | C8 | 178.7° | 180.0° |
| C2 | N1 | C7 | H11 | 180.0° | 180.0° |
| C2 | N1 | C7 | O6 | 1.0° | 0.0° |
| H2 | C2 | C3 | C4 | 58.0° | 62.9° |
| H2 | C2 | C3 | O2 | 66.7° | 56.9° |
| H2 | C2 | C3 | H3 | 174.6° | 177.2° |
| H2 | C2 | N1 | C7 | 1.1° | 35.1° |
| H2 | C2 | N1 | H11 | 178.9° | 144.9° |
| C4 | C3 | O2 | H3 | 119.6° | 120.2° |
| C3 | C4 | C5 | O3 | 121.0° | 119.9° |
| C3 | C4 | C5 | H4 | 120.0° | 119.9° |
| C3 | C4 | O3 | H4 | 116.7° | 120.2° |
| C3 | C4 | C5 | C6 | 168.9° | 177.6° |
| C3 | C4 | C5 | O4 | 46.7° | 57.6° |
| C3 | C4 | C5 | H5 | 69.7° | 62.4° |
| C4 | C3 | O2 | C9 | 135.0° | 138.9° |
| C3 | C4 | O3 | C29 | 135.0° | 143.6° |
| O2 | C3 | C4 | C5 | 169.3° | 176.9° |
| O2 | C3 | C4 | O3 | 68.6° | 63.2° |
| O2 | C3 | C4 | H4 | 49.3° | 57.0° |
| C3 | O2 | C9 | C10 | 173.2° | 168.3° |
| C3 | O2 | C9 | O10 | 60.8° | 71.8° |
| C3 | O2 | C9 | H14 | 58.9° | 48.2° |
| H3 | C3 | C4 | C5 | 70.1° | 62.9° |
| H3 | C3 | C4 | O3 | 52.0° | 57.0° |
| H3 | C3 | C4 | H4 | 169.9° | 177.2° |
| H3 | C3 | O2 | C9 | 15.4° | 18.7° |
| C5 | C4 | O3 | H4 | 117.8° | 120.2° |
| C4 | C5 | C6 | O4 | 120.8° | 119.9° |
| C4 | C5 | C6 | H5 | 121.4° | 120.0° |
| C4 | C5 | O4 | H5 | 115.3° | 119.9° |
| C4 | C5 | C6 | O5 | 58.1° | 175.6° |
| C4 | C5 | C6 | H6 | 178.6° | 55.6° |
| C4 | C5 | C6 | H7 | 62.4° | 64.4° |
| C5 | C4 | O3 | C29 | 99.5° | 96.7° |
| O3 | C4 | C5 | C6 | 70.0° | 62.6° |
| O3 | C4 | C5 | O4 | 167.8° | 177.5° |
| O3 | C4 | C5 | H5 | 51.4° | 57.5° |
| C4 | O3 | C29 | C30 | 163.8° | 165.0° |
| C4 | O3 | C29 | O24 | 75.5° | 75.0° |
| C4 | O3 | C29 | H48 | 47.9° | 45.1° |
| H4 | C4 | C5 | C6 | 49.0° | 57.7° |
| H4 | C4 | C5 | O4 | 73.2° | 62.3° |
| H4 | C4 | C5 | H5 | 170.4° | 177.7° |
| H4 | C4 | O3 | C29 | 18.3° | 23.5° |
| C6 | C5 | O4 | H5 | 116.8° | 120.1° |
| C5 | C6 | O5 | H6 | 120.5° | 119.9° |
| C5 | C6 | O5 | H7 | 120.5° | 120.0° |
| C5 | C6 | H6 | H7 | 118.5° | 120.0° |
| C5 | C6 | O5 | H13 | 180.0° | 180.0° |
| O4 | C5 | C6 | O5 | 62.7° | 64.5° |
| O4 | C5 | C6 | H6 | 57.8° | 175.5° |
| O4 | C5 | C6 | H7 | 176.8° | 55.5° |
| H5 | C5 | C6 | O5 | 179.5° | 55.5° |
| H5 | C5 | C6 | H6 | 60.0° | 64.4° |
| H5 | C5 | C6 | H7 | 59.0° | 175.5° |
| O5 | C6 | H6 | H7 | 118.5° | 120.1° |
| H6 | C6 | O5 | H13 | 59.5° | 60.0° |
| H7 | C6 | O5 | H13 | 59.5° | 60.0° |
| C8 | C7 | N1 | O6 | 179.7° | 180.0° |
| C7 | C8 | H8 | H9 | 120.0° | 120.1° |
| C7 | C8 | H8 | H10 | 120.0° | 119.9° |
| C7 | C8 | H9 | H10 | 120.0° | 120.0° |
| C8 | C7 | N1 | H11 | 1.3° | 0.0° |
| N1 | C7 | C8 | H8 | 179.7° | 89.9° |
| N1 | C7 | C8 | H9 | 59.7° | 150.0° |
| N1 | C7 | C8 | H10 | 60.3° | 30.0° |
| O6 | C7 | C8 | H8 | 0.0° | 90.1° |
| O6 | C7 | C8 | H9 | 120.0° | 30.0° |
| O6 | C7 | C8 | H10 | 120.0° | 150.0° |
| O6 | C7 | N1 | H11 | 179.0° | 180.0° |
| H8 | C8 | H9 | H10 | 120.0° | 120.0° |
| C10 | C9 | O10 | H14 | 117.8° | 120.0° |
| C10 | C9 | O10 | O2 | 122.6° | 119.9° |
| C10 | C9 | H14 | O2 | 114.7° | 120.0° |
| C9 | C10 | C11 | O7 | 127.4° | 119.9° |
| C9 | C10 | C11 | H15 | 115.6° | 119.9° |
| C9 | C10 | O7 | H15 | 115.3° | 120.2° |
| C9 | C10 | C11 | C12 | 41.2° | 57.0° |
| C9 | C10 | C11 | O8 | 160.3° | 176.9° |
| C9 | C10 | C11 | H16 | 79.5° | 62.9° |
| C10 | C9 | O10 | C13 | 53.3° | 61.2° |
| C9 | C10 | O7 | C15 | 138.5° | 121.2° |
| O10 | C9 | H14 | O2 | 123.1° | 120.0° |
| O10 | C9 | C10 | C11 | 41.2° | 57.6° |
| O10 | C9 | C10 | O7 | 169.4° | 177.5° |
| O10 | C9 | C10 | H15 | 74.5° | 62.2° |
| C9 | O10 | C13 | C12 | 64.2° | 61.2° |
| C9 | O10 | C13 | C14 | 174.1° | 178.9° |
| C9 | O10 | C13 | H18 | 54.0° | 58.8° |
| H14 | C9 | C10 | C11 | 77.6° | 62.4° |
| H14 | C9 | C10 | O7 | 50.6° | 57.5° |
| H14 | C9 | C10 | H15 | 166.7° | 177.7° |
| H14 | C9 | O10 | C13 | 64.5° | 58.8° |
| C11 | C10 | O7 | H15 | 116.2° | 120.2° |
| C10 | C11 | C12 | O8 | 117.9° | 119.8° |
| C10 | C11 | C12 | H16 | 120.6° | 119.9° |
| C10 | C11 | O8 | H16 | 118.9° | 120.2° |
| C10 | C11 | C12 | C13 | 51.3° | 57.0° |
| C10 | C11 | C12 | O9 | 71.8° | 62.9° |
| C10 | C11 | C12 | H17 | 168.3° | 176.9° |
| C11 | C10 | C9 | O2 | 167.3° | 177.6° |
| C11 | C10 | O7 | C15 | 93.0° | 119.2° |
| C10 | C11 | O8 | C21 | 179.2° | 150.0° |
| O7 | C10 | C11 | C12 | 168.7° | 176.9° |
| O7 | C10 | C11 | O8 | 72.3° | 63.3° |
| O7 | C10 | C11 | H16 | 48.0° | 57.0° |
| C10 | O7 | C15 | C16 | 165.5° | 173.5° |
| C10 | O7 | C15 | O15 | 72.8° | 66.7° |
| C10 | O7 | C15 | H23 | 45.9° | 53.4° |
| O7 | C10 | C9 | O2 | 64.6° | 62.5° |
| H15 | C10 | C11 | C12 | 74.4° | 62.9° |
| H15 | C10 | C11 | O8 | 44.7° | 57.0° |
| H15 | C10 | C11 | H16 | 164.9° | 177.2° |
| H15 | C10 | C9 | O2 | 51.6° | 57.7° |
| H15 | C10 | O7 | C15 | 23.2° | 1.0° |
| C12 | C11 | O8 | H16 | 120.3° | 120.2° |
| C11 | C12 | C13 | O9 | 123.4° | 119.9° |
| C11 | C12 | C13 | H17 | 117.0° | 119.8° |
| C11 | C12 | O9 | H17 | 118.9° | 120.1° |
| C11 | C12 | C13 | C14 | 174.1° | 177.6° |
| C11 | C12 | C13 | O10 | 62.0° | 57.6° |
| C11 | C12 | C13 | H18 | 56.9° | 62.3° |
| C11 | C12 | O9 | H21 | 180.0° | 180.0° |
| C12 | C11 | O8 | C21 | 58.4° | 90.5° |
| O8 | C11 | C12 | C13 | 169.2° | 176.9° |
| O8 | C11 | C12 | O9 | 46.1° | 56.9° |
| O8 | C11 | C12 | H17 | 73.7° | 63.2° |
| C11 | O8 | C21 | O16 | 73.9° | 70.0° |
| C11 | O8 | C21 | C22 | 165.6° | 170.1° |
| C11 | O8 | C21 | H34 | 47.9° | 50.0° |
| H16 | C11 | C12 | C13 | 69.4° | 62.9° |
| H16 | C11 | C12 | O9 | 167.6° | 177.2° |
| H16 | C11 | C12 | H17 | 47.7° | 57.0° |
| H16 | C11 | O8 | C21 | 61.9° | 29.8° |
| C13 | C12 | O9 | H17 | 118.7° | 120.2° |
| C12 | C13 | C14 | O10 | 122.0° | 119.9° |
| C12 | C13 | C14 | H18 | 117.2° | 120.1° |
| C12 | C13 | O10 | H18 | 118.2° | 120.0° |
| C12 | C13 | C14 | O11 | 167.8° | 175.0° |
| C12 | C13 | C14 | H19 | 48.2° | 55.1° |
| C12 | C13 | C14 | H20 | 72.7° | 65.0° |
| C13 | C12 | O9 | H21 | 57.6° | 60.3° |
| O9 | C12 | C13 | C14 | 62.4° | 57.7° |
| O9 | C12 | C13 | O10 | 61.4° | 62.3° |
| O9 | C12 | C13 | H18 | 179.6° | 177.7° |
| H17 | C12 | C13 | C14 | 57.2° | 62.6° |
| H17 | C12 | C13 | O10 | 179.0° | 177.5° |
| H17 | C12 | C13 | H18 | 60.0° | 57.5° |
| H17 | C12 | O9 | H21 | 61.1° | 59.9° |
| C14 | C13 | O10 | H18 | 120.1° | 120.0° |
| C13 | C14 | O11 | H19 | 119.6° | 120.0° |
| C13 | C14 | O11 | H20 | 119.6° | 120.0° |
| C13 | C14 | H19 | H20 | 121.2° | 120.1° |
| C13 | C14 | O11 | H22 | 180.0° | 180.0° |
| O10 | C13 | C14 | O11 | 70.3° | 65.1° |
| O10 | C13 | C14 | H19 | 170.2° | 175.0° |
| O10 | C13 | C14 | H20 | 49.3° | 54.9° |
| C13 | O10 | C9 | O2 | 175.9° | 178.9° |
| H18 | C13 | C14 | O11 | 50.6° | 54.9° |
| H18 | C13 | C14 | H19 | 69.0° | 65.0° |
| H18 | C13 | C14 | H20 | 170.2° | 174.9° |
| O11 | C14 | H19 | H20 | 121.3° | 120.0° |
| H19 | C14 | O11 | H22 | 60.4° | 60.0° |
| H20 | C14 | O11 | H22 | 60.4° | 60.0° |
| C16 | C15 | O15 | H23 | 115.7° | 120.0° |
| C16 | C15 | O15 | O7 | 126.1° | 119.9° |
| C16 | C15 | H23 | O7 | 124.6° | 120.0° |
| C15 | C16 | C17 | O12 | 122.1° | 119.9° |
| C15 | C16 | C17 | H24 | 119.1° | 119.9° |
| C15 | C16 | O12 | H24 | 118.8° | 120.2° |
| C15 | C16 | C17 | C18 | 54.8° | 57.0° |
| C15 | C16 | C17 | O13 | 173.8° | 176.9° |
| C15 | C16 | C17 | H25 | 63.6° | 62.9° |
| C16 | C15 | O15 | C19 | 60.9° | 61.2° |
| C15 | C16 | O12 | H31 | 180.0° | 60.0° |
| O15 | C15 | H23 | O7 | 119.4° | 120.1° |
| O15 | C15 | C16 | C17 | 56.0° | 57.6° |
| O15 | C15 | C16 | O12 | 176.8° | 177.5° |
| O15 | C15 | C16 | H24 | 63.2° | 62.3° |
| C15 | O15 | C19 | C18 | 66.2° | 61.2° |
| C15 | O15 | C19 | C20 | 166.7° | 178.8° |
| C15 | O15 | C19 | H27 | 51.5° | 58.8° |
| H23 | C15 | C16 | C17 | 172.9° | 177.6° |
| H23 | C15 | C16 | O12 | 66.3° | 62.5° |
| H23 | C15 | C16 | H24 | 53.7° | 57.7° |
| H23 | C15 | O15 | C19 | 176.6° | 178.8° |
| C17 | C16 | O12 | H24 | 117.7° | 120.1° |
| C16 | C17 | C18 | O13 | 122.0° | 119.9° |
| C16 | C17 | C18 | H25 | 118.3° | 119.9° |
| C16 | C17 | O13 | H25 | 121.7° | 120.2° |
| C16 | C17 | C18 | C19 | 55.3° | 57.0° |
| C16 | C17 | C18 | O14 | 67.6° | 62.9° |
| C16 | C17 | C18 | H26 | 173.9° | 176.9° |
| C17 | C16 | O12 | H31 | 56.5° | 179.7° |
| C16 | C17 | O13 | H32 | 180.0° | 60.0° |
| C17 | C16 | C15 | O7 | 66.9° | 62.3° |
| O12 | C16 | C17 | C18 | 176.9° | 176.9° |
| O12 | C16 | C17 | O13 | 64.1° | 63.2° |
| O12 | C16 | C17 | H25 | 58.5° | 57.0° |
| O12 | C16 | C15 | O7 | 53.9° | 57.6° |
| H24 | C16 | C17 | C18 | 64.3° | 62.9° |
| H24 | C16 | C17 | O13 | 54.7° | 57.0° |
| H24 | C16 | C17 | H25 | 177.3° | 177.2° |
| H24 | C16 | O12 | H31 | 61.2° | 60.2° |
| H24 | C16 | C15 | O7 | 173.8° | 177.8° |
| C18 | C17 | O13 | H25 | 119.0° | 120.2° |
| C17 | C18 | C19 | O14 | 116.1° | 119.9° |
| C17 | C18 | C19 | H26 | 118.9° | 119.9° |
| C17 | C18 | O14 | H26 | 117.8° | 120.2° |
| C17 | C18 | C19 | C20 | 177.8° | 177.6° |
| C17 | C18 | C19 | O15 | 61.7° | 57.7° |
| C17 | C18 | C19 | H27 | 56.9° | 62.3° |
| C18 | C17 | O13 | H32 | 60.7° | 179.6° |
| C17 | C18 | O14 | H33 | 180.0° | 180.0° |
| O13 | C17 | C18 | C19 | 177.2° | 176.9° |
| O13 | C17 | C18 | O14 | 54.3° | 57.0° |
| O13 | C17 | C18 | H26 | 64.1° | 63.3° |
| H25 | C17 | C18 | C19 | 63.0° | 62.9° |
| H25 | C17 | C18 | O14 | 174.1° | 177.2° |
| H25 | C17 | C18 | H26 | 55.7° | 57.0° |
| H25 | C17 | O13 | H32 | 58.3° | 60.2° |
| C19 | C18 | O14 | H26 | 124.3° | 120.1° |
| C18 | C19 | C20 | O15 | 123.2° | 119.9° |
| C18 | C19 | C20 | H27 | 120.8° | 120.1° |
| C18 | C19 | O15 | H27 | 117.7° | 120.0° |
| C18 | C19 | C20 | H28 | 180.0° | 60.9° |
| C18 | C19 | C20 | H29 | 60.0° | 179.0° |
| C18 | C19 | C20 | H30 | 60.0° | 59.0° |
| C19 | C18 | O14 | H33 | 62.1° | 60.3° |
| O14 | C18 | C19 | C20 | 66.1° | 57.7° |
| O14 | C18 | C19 | O15 | 54.4° | 62.2° |
| O14 | C18 | C19 | H27 | 173.0° | 177.8° |
| H26 | C18 | C19 | C20 | 58.9° | 62.5° |
| H26 | C18 | C19 | O15 | 179.4° | 177.5° |
| H26 | C18 | C19 | H27 | 62.0° | 57.6° |
| H26 | C18 | O14 | H33 | 62.2° | 59.8° |
| C20 | C19 | O15 | H27 | 115.2° | 120.0° |
| C19 | C20 | H28 | H29 | 120.0° | 120.1° |
| C19 | C20 | H28 | H30 | 120.0° | 120.0° |
| C19 | C20 | H29 | H30 | 120.0° | 120.0° |
| O15 | C19 | C20 | H28 | 56.8° | 179.2° |
| O15 | C19 | C20 | H29 | 63.2° | 59.1° |
| O15 | C19 | C20 | H30 | 176.8° | 60.9° |
| C19 | O15 | C15 | O7 | 65.2° | 58.7° |
| H27 | C19 | C20 | H28 | 59.2° | 59.1° |
| H27 | C19 | C20 | H29 | 179.2° | 60.9° |
| H27 | C19 | C20 | H30 | 60.8° | 179.1° |
| H28 | C20 | H29 | H30 | 120.0° | 119.9° |
| C25 | O16 | C21 | C22 | 52.1° | 61.1° |
| C25 | O16 | C21 | H34 | 171.8° | 178.9° |
| O16 | C25 | C24 | C23 | 46.7° | 57.6° |
| O16 | C25 | C24 | O18 | 75.9° | 62.3° |
| O16 | C25 | C24 | H39 | 164.4° | 177.5° |
| O16 | C25 | C24 | C26 | 122.4° | 120.0° |
| O16 | C25 | C24 | H41 | 121.3° | 120.0° |
| O16 | C25 | C26 | H41 | 116.5° | 120.0° |
| O16 | C25 | C26 | O19 | 68.0° | 65.0° |
| O16 | C25 | C26 | H42 | 173.0° | 175.0° |
| O16 | C25 | C26 | H46 | 51.0° | 55.0° |
| C25 | O16 | C21 | O8 | 66.7° | 58.8° |
| O16 | C21 | C22 | H34 | 120.7° | 120.0° |
| O16 | C21 | C22 | O8 | 120.8° | 120.0° |
| O16 | C21 | H34 | O8 | 122.1° | 120.0° |
| O16 | C21 | C22 | C23 | 58.3° | 57.6° |
| O16 | C21 | C22 | H35 | 61.5° | 62.3° |
| O16 | C21 | C22 | N2 | 179.9° | 177.5° |
| C21 | O16 | C25 | C24 | 48.5° | 61.2° |
| C21 | O16 | C25 | C26 | 171.4° | 178.9° |
| C21 | O16 | C25 | H41 | 72.5° | 58.9° |
| C22 | C21 | H34 | O8 | 117.1° | 120.0° |
| C21 | C22 | C23 | H35 | 119.7° | 120.0° |
| C21 | C22 | C23 | N2 | 119.0° | 119.9° |
| C21 | C22 | H35 | N2 | 116.7° | 120.2° |
| C21 | C22 | N2 | H36 | 89.1° | 95.0° |
| C21 | C22 | C23 | C24 | 58.4° | 57.0° |
| C21 | C22 | C23 | O17 | 179.0° | 176.9° |
| C21 | C22 | C23 | H37 | 58.5° | 62.9° |
| C21 | C22 | N2 | C27 | 90.9° | 85.0° |
| H34 | C21 | C22 | C23 | 179.0° | 177.6° |
| H34 | C21 | C22 | H35 | 59.2° | 57.7° |
| H34 | C21 | C22 | N2 | 59.5° | 62.5° |
| C23 | C22 | H35 | N2 | 122.1° | 120.1° |
| C23 | C22 | N2 | H36 | 32.4° | 24.6° |
| C22 | C23 | C24 | O17 | 124.8° | 119.9° |
| C22 | C23 | C24 | H37 | 116.9° | 119.9° |
| C22 | C23 | O17 | H37 | 119.8° | 120.2° |
| C22 | C23 | O17 | H38 | 180.0° | 180.0° |
| C22 | C23 | C24 | O18 | 71.4° | 62.9° |
| C22 | C23 | C24 | H39 | 168.9° | 176.9° |
| C22 | C23 | C24 | C25 | 51.2° | 57.0° |
| C23 | C22 | N2 | C27 | 147.6° | 155.3° |
| C23 | C22 | C21 | O8 | 62.4° | 62.3° |
| H35 | C22 | N2 | H36 | 153.1° | 144.8° |
| H35 | C22 | C23 | C24 | 61.4° | 62.9° |
| H35 | C22 | C23 | O17 | 61.2° | 56.9° |
| H35 | C22 | C23 | H37 | 178.2° | 177.1° |
| H35 | C22 | N2 | C27 | 26.9° | 35.2° |
| H35 | C22 | C21 | O8 | 177.8° | 177.7° |
| C22 | N2 | H36 | C27 | 180.0° | 180.0° |
| N2 | C22 | C23 | C24 | 177.3° | 176.9° |
| N2 | C22 | C23 | O17 | 60.1° | 63.3° |
| N2 | C22 | C23 | H37 | 60.5° | 57.0° |
| C22 | N2 | C27 | O20 | 2.0° | 0.0° |
| C22 | N2 | C27 | C28 | 179.5° | 180.0° |
| N2 | C22 | C21 | O8 | 59.1° | 57.5° |
| H36 | N2 | C27 | O20 | 178.0° | 180.0° |
| H36 | N2 | C27 | C28 | 0.5° | 0.0° |
| C24 | C23 | O17 | H37 | 117.5° | 120.2° |
| C24 | C23 | O17 | H38 | 57.3° | 60.4° |
| C23 | C24 | O18 | H39 | 118.8° | 120.2° |
| C23 | C24 | O18 | C25 | 122.3° | 119.6° |
| C23 | C24 | H39 | C25 | 119.1° | 119.7° |
| C23 | C24 | O18 | H40 | 180.0° | 180.0° |
| C23 | C24 | C25 | C26 | 169.0° | 177.6° |
| C23 | C24 | C25 | H41 | 74.6° | 62.4° |
| O17 | C23 | C24 | O18 | 53.4° | 57.0° |
| O17 | C23 | C24 | H39 | 66.2° | 63.2° |
| O17 | C23 | C24 | C25 | 176.0° | 176.9° |
| H37 | C23 | O17 | H38 | 60.2° | 59.8° |
| H37 | C23 | C24 | O18 | 171.7° | 177.2° |
| H37 | C23 | C24 | H39 | 52.1° | 57.0° |
| H37 | C23 | C24 | C25 | 65.7° | 62.9° |
| O18 | C24 | H39 | C25 | 120.5° | 120.1° |
| O18 | C24 | C25 | C26 | 46.5° | 57.7° |
| O18 | C24 | C25 | H41 | 162.8° | 177.7° |
| H39 | C24 | O18 | H40 | 61.1° | 59.8° |
| H39 | C24 | C25 | C26 | 73.2° | 62.5° |
| H39 | C24 | C25 | H41 | 43.1° | 57.5° |
| H40 | O18 | C24 | C25 | 57.7° | 60.4° |
| C24 | C25 | C26 | H41 | 116.2° | 120.0° |
| C24 | C25 | C26 | O19 | 164.8° | 175.1° |
| C24 | C25 | C26 | H42 | 45.8° | 55.1° |
| C24 | C25 | C26 | H46 | 76.2° | 65.0° |
| C25 | C26 | O19 | H42 | 119.0° | 120.1° |
| C25 | C26 | O19 | H46 | 119.0° | 120.0° |
| C25 | C26 | H42 | H46 | 122.9° | 120.1° |
| C25 | C26 | O19 | H47 | 180.0° | 180.0° |
| H41 | C25 | C26 | O19 | 48.6° | 55.1° |
| H41 | C25 | C26 | H42 | 70.4° | 65.0° |
| H41 | C25 | C26 | H46 | 167.6° | 175.0° |
| O19 | C26 | H42 | H46 | 122.9° | 119.9° |
| H42 | C26 | O19 | H47 | 61.0° | 59.9° |
| N2 | C27 | O20 | C28 | 178.4° | 180.0° |
| N2 | C27 | C28 | H43 | 178.4° | 0.0° |
| N2 | C27 | C28 | H44 | 58.5° | 120.0° |
| N2 | C27 | C28 | H45 | 61.6° | 120.0° |
| O20 | C27 | C28 | H43 | 0.0° | 180.0° |
| O20 | C27 | C28 | H44 | 120.0° | 60.0° |
| O20 | C27 | C28 | H45 | 120.0° | 60.0° |
| C27 | C28 | H43 | H44 | 120.0° | 120.0° |
| 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 | 61.0° | 60.0° |
| C30 | C29 | O24 | H48 | 119.4° | 120.0° |
| C30 | C29 | O24 | O3 | 117.4° | 119.9° |
| C30 | C29 | H48 | O3 | 113.4° | 120.0° |
| C29 | C30 | C31 | O21 | 114.3° | 119.9° |
| C29 | C30 | C31 | H49 | 121.7° | 119.9° |
| C29 | C30 | O21 | H49 | 123.2° | 120.2° |
| C29 | C30 | C31 | C32 | 65.5° | 57.0° |
| C29 | C30 | C31 | O22 | 165.4° | 176.9° |
| C29 | C30 | C31 | H50 | 47.3° | 62.9° |
| C30 | C29 | O24 | C33 | 55.7° | 61.2° |
| C29 | C30 | O21 | H56 | 180.0° | 60.0° |
| O24 | C29 | H48 | O3 | 126.1° | 120.1° |
| O24 | C29 | C30 | C31 | 63.1° | 57.6° |
| O24 | C29 | C30 | O21 | 177.0° | 177.5° |
| O24 | C29 | C30 | H49 | 58.6° | 62.3° |
| C29 | O24 | C33 | C32 | 49.5° | 61.2° |
| C29 | O24 | C33 | C34 | 175.4° | 178.8° |
| C29 | O24 | C33 | H52 | 67.5° | 58.9° |
| H48 | C29 | C30 | C31 | 176.7° | 177.6° |
| H48 | C29 | C30 | O21 | 62.8° | 62.5° |
| H48 | C29 | C30 | H49 | 61.6° | 57.8° |
| H48 | C29 | O24 | C33 | 175.1° | 178.8° |
| C31 | C30 | O21 | H49 | 122.7° | 120.1° |
| C30 | C31 | C32 | O22 | 127.4° | 119.9° |
| C30 | C31 | C32 | H50 | 113.0° | 119.9° |
| C30 | C31 | O22 | H50 | 117.4° | 120.2° |
| C30 | C31 | C32 | C33 | 60.0° | 57.0° |
| C30 | C31 | C32 | O23 | 61.9° | 62.9° |
| C30 | C31 | C32 | H51 | 177.2° | 176.9° |
| C31 | C30 | O21 | H56 | 65.8° | 179.7° |
| C30 | C31 | O22 | H57 | 180.0° | 60.0° |
| C31 | C30 | C29 | O3 | 60.2° | 62.4° |
| O21 | C30 | C31 | C32 | 179.8° | 176.9° |
| O21 | C30 | C31 | O22 | 51.1° | 63.2° |
| O21 | C30 | C31 | H50 | 66.9° | 57.0° |
| O21 | C30 | C29 | O3 | 53.7° | 57.5° |
| H49 | C30 | C31 | C32 | 56.2° | 63.0° |
| H49 | C30 | C31 | O22 | 72.8° | 56.9° |
| H49 | C30 | C31 | H50 | 169.1° | 177.2° |
| H49 | C30 | O21 | H56 | 56.8° | 60.2° |
| H49 | C30 | C29 | O3 | 178.1° | 177.7° |
| C32 | C31 | O22 | H50 | 118.9° | 120.2° |
| C31 | C32 | C33 | O23 | 123.8° | 119.9° |
| C31 | C32 | C33 | H51 | 117.2° | 119.9° |
| C31 | C32 | O23 | H51 | 120.0° | 120.1° |
| C31 | C32 | C33 | C34 | 177.0° | 177.6° |
| C31 | C32 | C33 | O24 | 51.0° | 57.6° |
| C31 | C32 | C33 | H52 | 66.7° | 62.4° |
| C32 | C31 | O22 | H57 | 56.2° | 179.6° |
| C31 | C32 | O23 | H58 | 180.0° | 180.0° |
| O22 | C31 | C32 | C33 | 172.6° | 176.9° |
| O22 | C31 | C32 | O23 | 65.5° | 57.0° |
| O22 | C31 | C32 | H51 | 55.4° | 63.2° |
| H50 | C31 | C32 | C33 | 53.0° | 62.9° |
| H50 | C31 | C32 | O23 | 174.9° | 177.2° |
| H50 | C31 | C32 | H51 | 64.2° | 57.0° |
| H50 | C31 | O22 | H57 | 62.6° | 60.2° |
| C33 | C32 | O23 | H51 | 118.0° | 120.2° |
| C32 | C33 | C34 | O24 | 126.1° | 119.9° |
| C32 | C33 | C34 | H52 | 116.2° | 120.1° |
| C32 | C33 | O24 | H52 | 117.0° | 120.0° |
| C32 | C33 | C34 | H53 | 180.0° | 60.0° |
| C32 | C33 | C34 | H54 | 60.0° | 180.0° |
| C32 | C33 | C34 | H55 | 60.0° | 59.9° |
| C33 | C32 | O23 | H58 | 58.0° | 60.3° |
| O23 | C32 | C33 | C34 | 53.2° | 57.7° |
| O23 | C32 | C33 | O24 | 72.8° | 62.3° |
| O23 | C32 | C33 | H52 | 169.5° | 177.7° |
| H51 | C32 | C33 | C34 | 65.7° | 62.5° |
| H51 | C32 | C33 | O24 | 168.2° | 177.5° |
| H51 | C32 | C33 | H52 | 50.5° | 57.5° |
| H51 | C32 | O23 | H58 | 60.0° | 59.8° |
| C34 | C33 | O24 | H52 | 117.1° | 120.0° |
| C33 | C34 | H53 | H54 | 120.0° | 120.0° |
| C33 | C34 | H53 | H55 | 120.0° | 120.0° |
| C33 | C34 | H54 | H55 | 120.0° | 120.0° |
| O24 | C33 | C34 | H53 | 53.9° | 179.9° |
| O24 | C33 | C34 | H54 | 66.1° | 60.1° |
| O24 | C33 | C34 | H55 | 173.9° | 60.0° |
| C33 | O24 | C29 | O3 | 61.7° | 58.8° |
| H52 | C33 | C34 | H53 | 63.8° | 60.1° |
| H52 | C33 | C34 | H54 | 176.2° | 59.9° |
| H52 | C33 | C34 | H55 | 56.2° | 180.0° |
| H53 | C34 | H54 | H55 | 120.0° | 120.0° |
