PRD_002591
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 | 1.40Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C2 | C3 | sing | 1.53Å | 1.52Å | |
| C2 | N1 | sing | 1.46Å | 1.44Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C3 | C4 | sing | 1.53Å | 1.53Å | |
| C3 | O2 | sing | 1.43Å | 1.46Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C4 | C5 | sing | 1.53Å | 1.53Å | |
| C4 | O3 | sing | 1.43Å | 1.44Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C5 | C6 | sing | 1.53Å | 1.52Å | |
| C5 | O1 | sing | 1.43Å | 1.44Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C6 | O4 | sing | 1.43Å | 1.42Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| C6 | H7 | sing | 1.09Å | 1.10Å | |
| C7 | C8 | sing | 1.51Å | 1.50Å | |
| C7 | O5 | doub | 1.21Å | 1.24Å | |
| 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 | 1.53Å | |
| C9 | O10 | sing | 1.43Å | 1.42Å | |
| C9 | H14 | sing | 1.09Å | 1.10Å | |
| C10 | C11 | sing | 1.53Å | 1.56Å | |
| 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 | 1.49Å | |
| C11 | H16 | sing | 1.09Å | 1.10Å | |
| C12 | C13 | sing | 1.53Å | 1.53Å | |
| C12 | O9 | sing | 1.43Å | 1.44Å | |
| C12 | H17 | sing | 1.09Å | 1.10Å | |
| C13 | C14 | sing | 1.53Å | 1.50Å | |
| C13 | O10 | sing | 1.43Å | 1.46Å | |
| C13 | H18 | sing | 1.09Å | 1.10Å | |
| C14 | O11 | sing | 1.43Å | 1.43Å | |
| 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 | 1.52Å | |
| C15 | O15 | sing | 1.43Å | 1.42Å | |
| C15 | H23 | sing | 1.09Å | 1.10Å | |
| C16 | C17 | sing | 1.53Å | 1.49Å | |
| C16 | O12 | sing | 1.43Å | 1.43Å | |
| C16 | H24 | sing | 1.09Å | 1.10Å | |
| C17 | C18 | sing | 1.53Å | 1.55Å | |
| C17 | O13 | sing | 1.43Å | 1.41Å | |
| C17 | H25 | sing | 1.09Å | 1.10Å | |
| C18 | C19 | sing | 1.53Å | 1.52Å | |
| C18 | O14 | sing | 1.43Å | 1.44Å | |
| C18 | H26 | sing | 1.09Å | 1.10Å | |
| C19 | C20 | sing | 1.53Å | 1.51Å | |
| C19 | O15 | sing | 1.43Å | 1.44Å | |
| 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 | |
| C21 | C22 | sing | 1.53Å | 1.54Å | |
| C21 | O19 | sing | 1.43Å | 1.43Å | |
| C21 | H34 | sing | 1.09Å | 1.10Å | |
| C22 | C23 | sing | 1.53Å | 1.53Å | |
| C22 | O16 | sing | 1.43Å | 1.42Å | |
| C22 | H35 | sing | 1.09Å | 1.10Å | |
| C23 | C24 | sing | 1.53Å | 1.52Å | |
| C23 | O17 | sing | 1.43Å | 1.42Å | |
| C23 | H36 | sing | 1.09Å | 1.10Å | |
| C24 | C25 | sing | 1.53Å | 1.51Å | |
| C24 | O18 | sing | 1.43Å | 1.44Å | |
| C24 | H37 | sing | 1.09Å | 1.10Å | |
| C25 | C26 | sing | 1.53Å | 1.49Å | |
| C25 | O19 | sing | 1.43Å | 1.49Å | |
| C25 | H38 | sing | 1.09Å | 1.10Å | |
| C26 | O20 | sing | 1.43Å | 1.40Å | |
| C26 | H39 | sing | 1.09Å | 1.10Å | |
| C26 | H40 | sing | 1.09Å | 1.10Å | |
| O16 | H41 | sing | 0.97Å | 0.95Å | |
| O17 | H42 | sing | 0.97Å | 0.95Å | |
| O18 | H43 | sing | 0.97Å | 0.95Å | |
| O20 | H44 | sing | 0.97Å | 0.95Å | |
| C27 | C28 | sing | 1.53Å | 1.53Å | |
| C27 | O24 | sing | 1.43Å | 1.43Å | |
| C27 | H45 | sing | 1.09Å | 1.10Å | |
| C28 | C29 | sing | 1.53Å | 1.53Å | |
| C28 | O21 | sing | 1.43Å | 1.43Å | |
| C28 | H46 | sing | 1.09Å | 1.10Å | |
| C29 | C30 | sing | 1.53Å | 1.51Å | |
| C29 | O22 | sing | 1.43Å | 1.43Å | |
| C29 | H47 | sing | 1.09Å | 1.10Å | |
| C30 | C31 | sing | 1.53Å | 1.53Å | |
| C30 | O23 | sing | 1.43Å | 1.43Å | |
| C30 | H48 | sing | 1.09Å | 1.10Å | |
| C31 | C32 | sing | 1.53Å | 1.51Å | |
| C31 | O24 | sing | 1.43Å | 1.45Å | |
| C31 | H49 | sing | 1.09Å | 1.10Å | |
| C32 | H50 | sing | 1.09Å | 1.10Å | |
| C32 | H51 | sing | 1.09Å | 1.10Å | |
| C32 | H52 | sing | 1.09Å | 1.10Å | |
| O21 | H53 | sing | 0.97Å | 0.95Å | |
| O22 | H54 | sing | 0.97Å | 0.95Å | |
| O23 | H55 | sing | 0.97Å | 0.95Å | |
| O2 | C9 | sing | 1.43Å | 1.41Å | |
| O3 | C27 | sing | 1.43Å | 1.41Å | |
| O7 | C15 | sing | 1.43Å | 1.40Å | |
| O8 | C21 | sing | 1.43Å | 1.41Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | O1 | 111.0° | 109.4° |
| C2 | C1 | O6 | 111.9° | 109.4° |
| C2 | C1 | H1 | 107.5° | 109.5° |
| C1 | C2 | C3 | 113.0° | 109.2° |
| C1 | C2 | N1 | 110.7° | 109.5° |
| C1 | C2 | H2 | 106.4° | 109.5° |
| O1 | C1 | O6 | 107.9° | 109.5° |
| O1 | C1 | H1 | 109.1° | 109.5° |
| C1 | O1 | C5 | 114.2° | 114.1° |
| O6 | C1 | H1 | 109.3° | 109.5° |
| C1 | O6 | H13 | 109.5° | 114.0° |
| C3 | C2 | N1 | 112.2° | 109.5° |
| C3 | C2 | H2 | 106.5° | 109.5° |
| C2 | C3 | C4 | 107.2° | 109.0° |
| C2 | C3 | O2 | 111.7° | 109.6° |
| C2 | C3 | H3 | 108.6° | 109.6° |
| N1 | C2 | H2 | 107.5° | 109.5° |
| C2 | N1 | C7 | 120.1° | 120.0° |
| C2 | N1 | H12 | 119.9° | 120.0° |
| C4 | C3 | O2 | 111.2° | 109.5° |
| C4 | C3 | H3 | 108.5° | 109.5° |
| C3 | C4 | C5 | 109.8° | 109.2° |
| C3 | C4 | O3 | 110.2° | 109.5° |
| C3 | C4 | H4 | 109.0° | 109.5° |
| O2 | C3 | H3 | 109.4° | 109.6° |
| C3 | O2 | C9 | 119.6° | 114.0° |
| C5 | C4 | O3 | 108.5° | 109.5° |
| C5 | C4 | H4 | 109.0° | 109.5° |
| C4 | C5 | C6 | 114.7° | 109.5° |
| C4 | C5 | O1 | 109.7° | 109.4° |
| C4 | C5 | H5 | 108.3° | 109.5° |
| O3 | C4 | H4 | 110.3° | 109.6° |
| C4 | O3 | C27 | 119.1° | 114.0° |
| C6 | C5 | O1 | 106.3° | 109.5° |
| C6 | C5 | H5 | 108.4° | 109.5° |
| C5 | C6 | O4 | 113.7° | 109.5° |
| C5 | C6 | H6 | 108.4° | 109.5° |
| C5 | C6 | H7 | 108.4° | 109.5° |
| O1 | C5 | H5 | 109.4° | 109.5° |
| O4 | C6 | H6 | 108.4° | 109.4° |
| O4 | C6 | H7 | 108.4° | 109.5° |
| C6 | O4 | H11 | 109.5° | 114.0° |
| H6 | C6 | H7 | 109.5° | 109.5° |
| C8 | C7 | O5 | 123.2° | 120.0° |
| C8 | C7 | N1 | 114.1° | 120.0° |
| C7 | C8 | H8 | 109.5° | 109.5° |
| C7 | C8 | H9 | 109.5° | 109.5° |
| C7 | C8 | H10 | 109.5° | 109.5° |
| O5 | C7 | N1 | 122.7° | 120.0° |
| C7 | N1 | H12 | 120.0° | 120.0° |
| H8 | C8 | H9 | 109.4° | 109.5° |
| H8 | C8 | H10 | 109.5° | 109.6° |
| H9 | C8 | H10 | 109.5° | 109.4° |
| C10 | C9 | O10 | 109.4° | 109.3° |
| C10 | C9 | H14 | 108.7° | 109.5° |
| C9 | C10 | C11 | 118.9° | 109.2° |
| C9 | C10 | O7 | 107.5° | 109.5° |
| C9 | C10 | H15 | 106.8° | 109.5° |
| C10 | C9 | O2 | 107.5° | 109.5° |
| O10 | C9 | H14 | 110.3° | 109.5° |
| C9 | O10 | C13 | 112.0° | 114.1° |
| O10 | C9 | O2 | 110.4° | 109.5° |
| H14 | C9 | O2 | 110.4° | 109.5° |
| C11 | C10 | O7 | 109.0° | 109.5° |
| C11 | C10 | H15 | 106.4° | 109.6° |
| C10 | C11 | C12 | 109.7° | 109.1° |
| C10 | C11 | O8 | 109.6° | 109.5° |
| C10 | C11 | H16 | 108.6° | 109.6° |
| O7 | C10 | H15 | 107.8° | 109.6° |
| C10 | O7 | C15 | 114.3° | 114.0° |
| C12 | C11 | O8 | 110.2° | 109.5° |
| C12 | C11 | H16 | 109.2° | 109.5° |
| C11 | C12 | C13 | 110.4° | 109.2° |
| C11 | C12 | O9 | 109.4° | 109.5° |
| C11 | C12 | H17 | 108.8° | 109.5° |
| O8 | C11 | H16 | 109.6° | 109.6° |
| C11 | O8 | C21 | 119.9° | 114.0° |
| C13 | C12 | O9 | 109.7° | 109.5° |
| C13 | C12 | H17 | 108.7° | 109.6° |
| C12 | C13 | C14 | 114.2° | 109.5° |
| C12 | C13 | O10 | 110.9° | 109.4° |
| C12 | C13 | H18 | 108.4° | 109.5° |
| O9 | C12 | H17 | 109.9° | 109.5° |
| C12 | O9 | H21 | 109.5° | 114.0° |
| C14 | C13 | O10 | 105.3° | 109.5° |
| C14 | C13 | H18 | 108.7° | 109.4° |
| C13 | C14 | O11 | 110.7° | 109.5° |
| C13 | C14 | H19 | 109.1° | 109.5° |
| C13 | C14 | H20 | 109.2° | 109.4° |
| O10 | C13 | H18 | 109.2° | 109.5° |
| O11 | C14 | H19 | 109.2° | 109.5° |
| O11 | C14 | H20 | 109.2° | 109.5° |
| C14 | O11 | H22 | 109.5° | 114.0° |
| H19 | C14 | H20 | 109.5° | 109.5° |
| C16 | C15 | O15 | 110.0° | 109.4° |
| C16 | C15 | H23 | 108.0° | 109.5° |
| C15 | C16 | C17 | 111.6° | 109.2° |
| C15 | C16 | O12 | 109.7° | 109.5° |
| C15 | C16 | H24 | 108.5° | 109.5° |
| C16 | C15 | O7 | 107.9° | 109.5° |
| O15 | C15 | H23 | 109.3° | 109.5° |
| C15 | O15 | C19 | 116.6° | 114.1° |
| O15 | C15 | O7 | 112.1° | 109.5° |
| H23 | C15 | O7 | 109.6° | 109.5° |
| C17 | C16 | O12 | 108.3° | 109.5° |
| C17 | C16 | H24 | 108.9° | 109.5° |
| C16 | C17 | C18 | 108.7° | 109.0° |
| C16 | C17 | O13 | 112.3° | 109.5° |
| C16 | C17 | H25 | 108.1° | 109.6° |
| O12 | C16 | H24 | 109.8° | 109.6° |
| C16 | O12 | H31 | 109.5° | 114.0° |
| C18 | C17 | O13 | 110.8° | 109.5° |
| C18 | C17 | H25 | 107.5° | 109.5° |
| C17 | C18 | C19 | 108.3° | 109.2° |
| C17 | C18 | O14 | 111.2° | 109.5° |
| C17 | C18 | H26 | 108.5° | 109.5° |
| O13 | C17 | H25 | 109.3° | 109.7° |
| C17 | O13 | H32 | 109.5° | 114.0° |
| C19 | C18 | O14 | 109.7° | 109.5° |
| C19 | C18 | H26 | 108.9° | 109.6° |
| C18 | C19 | C20 | 113.3° | 109.5° |
| C18 | C19 | O15 | 109.1° | 109.4° |
| C18 | C19 | H27 | 109.1° | 109.5° |
| O14 | C18 | H26 | 110.0° | 109.5° |
| C18 | O14 | H33 | 109.5° | 114.0° |
| C20 | C19 | O15 | 105.9° | 109.5° |
| C20 | C19 | H27 | 109.2° | 109.5° |
| C19 | C20 | H28 | 109.5° | 109.4° |
| C19 | C20 | H29 | 109.5° | 109.4° |
| C19 | C20 | H30 | 109.5° | 109.5° |
| O15 | C19 | H27 | 110.2° | 109.5° |
| H28 | C20 | H29 | 109.4° | 109.5° |
| H28 | C20 | H30 | 109.5° | 109.5° |
| H29 | C20 | H30 | 109.5° | 109.5° |
| C22 | C21 | O19 | 113.3° | 109.4° |
| C22 | C21 | H34 | 108.8° | 109.5° |
| C21 | C22 | C23 | 110.5° | 109.2° |
| C21 | C22 | O16 | 106.9° | 109.6° |
| C21 | C22 | H35 | 108.4° | 109.5° |
| C22 | C21 | O8 | 108.4° | 109.5° |
| O19 | C21 | H34 | 110.3° | 109.5° |
| C21 | O19 | C25 | 114.2° | 114.1° |
| O19 | C21 | O8 | 105.6° | 109.5° |
| H34 | C21 | O8 | 110.5° | 109.5° |
| C23 | C22 | O16 | 112.4° | 109.5° |
| C23 | C22 | H35 | 108.6° | 109.5° |
| C22 | C23 | C24 | 108.8° | 109.1° |
| C22 | C23 | O17 | 113.3° | 109.6° |
| C22 | C23 | H36 | 108.2° | 109.5° |
| O16 | C22 | H35 | 110.0° | 109.6° |
| C22 | O16 | H41 | 109.5° | 114.0° |
| C24 | C23 | O17 | 108.7° | 109.6° |
| C24 | C23 | H36 | 108.2° | 109.5° |
| C23 | C24 | C25 | 108.2° | 109.2° |
| C23 | C24 | O18 | 111.7° | 109.5° |
| C23 | C24 | H37 | 107.8° | 109.6° |
| O17 | C23 | H36 | 109.6° | 109.6° |
| C23 | O17 | H42 | 109.5° | 114.0° |
| C25 | C24 | O18 | 112.2° | 109.5° |
| C25 | C24 | H37 | 107.9° | 109.6° |
| C24 | C25 | C26 | 113.1° | 109.5° |
| C24 | C25 | O19 | 112.8° | 109.4° |
| C24 | C25 | H38 | 108.5° | 109.5° |
| O18 | C24 | H37 | 108.8° | 109.5° |
| C24 | O18 | H43 | 109.5° | 114.1° |
| C26 | C25 | O19 | 104.8° | 109.5° |
| C26 | C25 | H38 | 108.7° | 109.5° |
| C25 | C26 | O20 | 110.8° | 109.5° |
| C25 | C26 | H39 | 109.1° | 109.4° |
| C25 | C26 | H40 | 109.1° | 109.5° |
| O19 | C25 | H38 | 108.8° | 109.4° |
| O20 | C26 | H39 | 109.2° | 109.4° |
| O20 | C26 | H40 | 109.1° | 109.5° |
| C26 | O20 | H44 | 109.5° | 114.0° |
| H39 | C26 | H40 | 109.5° | 109.5° |
| C28 | C27 | O24 | 113.0° | 109.4° |
| C28 | C27 | H45 | 108.9° | 109.5° |
| C27 | C28 | C29 | 112.3° | 109.2° |
| C27 | C28 | O21 | 110.4° | 109.5° |
| C27 | C28 | H46 | 107.4° | 109.5° |
| C28 | C27 | O3 | 106.3° | 109.5° |
| O24 | C27 | H45 | 110.3° | 109.4° |
| C27 | O24 | C31 | 114.4° | 114.1° |
| O24 | C27 | O3 | 107.7° | 109.5° |
| H45 | C27 | O3 | 110.5° | 109.5° |
| C29 | C28 | O21 | 110.4° | 109.5° |
| C29 | C28 | H46 | 107.4° | 109.5° |
| C28 | C29 | C30 | 109.3° | 109.0° |
| C28 | C29 | O22 | 108.6° | 109.6° |
| C28 | C29 | H47 | 109.3° | 109.6° |
| O21 | C28 | H46 | 108.7° | 109.5° |
| C28 | O21 | H53 | 109.5° | 114.0° |
| C30 | C29 | O22 | 109.7° | 109.5° |
| C30 | C29 | H47 | 109.4° | 109.5° |
| C29 | C30 | C31 | 109.0° | 109.2° |
| C29 | C30 | O23 | 107.7° | 109.5° |
| C29 | C30 | H48 | 109.1° | 109.5° |
| O22 | C29 | H47 | 110.5° | 109.6° |
| C29 | O22 | H54 | 109.5° | 114.0° |
| C31 | C30 | O23 | 111.9° | 109.5° |
| C31 | C30 | H48 | 108.8° | 109.5° |
| C30 | C31 | C32 | 115.3° | 109.5° |
| C30 | C31 | O24 | 110.4° | 109.4° |
| C30 | C31 | H49 | 107.9° | 109.5° |
| O23 | C30 | H48 | 110.2° | 109.6° |
| C30 | O23 | H55 | 109.5° | 114.0° |
| C32 | C31 | O24 | 105.7° | 109.5° |
| C32 | C31 | H49 | 108.3° | 109.5° |
| C31 | C32 | H50 | 109.5° | 109.5° |
| C31 | C32 | H51 | 109.5° | 109.5° |
| C31 | C32 | H52 | 109.5° | 109.5° |
| O24 | C31 | H49 | 109.0° | 109.5° |
| H50 | C32 | H51 | 109.5° | 109.5° |
| H50 | C32 | H52 | 109.5° | 109.4° |
| H51 | C32 | H52 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | O1 | O6 | 123.0° | 119.9° |
| C2 | C1 | O1 | H1 | 118.3° | 120.1° |
| C2 | C1 | O6 | H1 | 119.0° | 120.0° |
| C1 | C2 | C3 | N1 | 126.1° | 119.9° |
| C1 | C2 | C3 | H2 | 116.5° | 119.9° |
| C1 | C2 | N1 | H2 | 115.9° | 120.2° |
| C1 | C2 | C3 | C4 | 53.6° | 56.9° |
| C1 | C2 | C3 | O2 | 175.7° | 176.8° |
| C1 | C2 | C3 | H3 | 63.5° | 62.9° |
| C2 | C1 | O1 | C5 | 54.9° | 61.1° |
| C1 | C2 | N1 | C7 | 90.5° | 85.0° |
| C1 | C2 | N1 | H12 | 89.4° | 95.1° |
| C2 | C1 | O6 | H13 | 180.0° | 180.0° |
| O1 | C1 | O6 | H1 | 118.5° | 120.0° |
| O1 | C1 | C2 | C3 | 52.4° | 57.6° |
| O1 | C1 | C2 | N1 | 179.2° | 177.5° |
| O1 | C1 | C2 | H2 | 64.2° | 62.3° |
| C1 | O1 | C5 | C4 | 59.7° | 61.2° |
| C1 | O1 | C5 | C6 | 175.7° | 178.9° |
| C1 | O1 | C5 | H5 | 58.9° | 58.8° |
| O1 | C1 | O6 | H13 | 57.5° | 60.1° |
| O6 | C1 | C2 | C3 | 68.3° | 62.4° |
| O6 | C1 | C2 | N1 | 58.5° | 57.6° |
| O6 | C1 | C2 | H2 | 175.1° | 177.7° |
| O6 | C1 | O1 | C5 | 68.1° | 58.8° |
| H1 | C1 | C2 | C3 | 171.6° | 177.6° |
| H1 | C1 | C2 | N1 | 61.6° | 62.4° |
| H1 | C1 | C2 | H2 | 55.0° | 57.7° |
| H1 | C1 | O1 | C5 | 173.2° | 178.8° |
| H1 | C1 | O6 | H13 | 61.0° | 60.0° |
| C3 | C2 | N1 | H2 | 116.8° | 120.1° |
| C2 | C3 | C4 | O2 | 122.4° | 119.9° |
| C2 | C3 | C4 | H3 | 117.2° | 119.9° |
| C2 | C3 | O2 | H3 | 120.3° | 120.2° |
| C2 | C3 | C4 | C5 | 57.2° | 57.0° |
| C2 | C3 | C4 | O3 | 176.7° | 176.9° |
| C2 | C3 | C4 | H4 | 62.2° | 63.0° |
| C3 | C2 | N1 | C7 | 142.1° | 155.3° |
| C3 | C2 | N1 | H12 | 37.9° | 24.7° |
| C2 | C3 | O2 | C9 | 112.9° | 101.6° |
| N1 | C2 | C3 | C4 | 179.7° | 176.9° |
| N1 | C2 | C3 | O2 | 58.2° | 63.2° |
| N1 | C2 | C3 | H3 | 62.6° | 57.0° |
| C2 | N1 | C7 | C8 | 171.7° | 180.0° |
| C2 | N1 | C7 | O5 | 6.6° | 0.0° |
| C2 | N1 | C7 | H12 | 180.0° | 180.0° |
| H2 | C2 | C3 | C4 | 62.9° | 63.0° |
| H2 | C2 | C3 | O2 | 59.2° | 56.9° |
| H2 | C2 | C3 | H3 | 180.0° | 177.2° |
| H2 | C2 | N1 | C7 | 25.3° | 35.2° |
| H2 | C2 | N1 | H12 | 154.7° | 144.8° |
| C4 | C3 | O2 | H3 | 119.9° | 120.2° |
| C3 | C4 | C5 | O3 | 120.5° | 119.9° |
| C3 | C4 | C5 | H4 | 119.4° | 119.9° |
| C3 | C4 | O3 | H4 | 120.4° | 120.1° |
| C3 | C4 | C5 | C6 | 180.0° | 177.6° |
| C3 | C4 | C5 | O1 | 60.4° | 57.6° |
| C3 | C4 | C5 | H5 | 58.9° | 62.4° |
| C4 | C3 | O2 | C9 | 127.4° | 138.9° |
| C3 | C4 | O3 | C27 | 143.8° | 143.6° |
| O2 | C3 | C4 | C5 | 179.6° | 176.9° |
| O2 | C3 | C4 | O3 | 61.0° | 63.2° |
| O2 | C3 | C4 | H4 | 60.2° | 57.0° |
| C3 | O2 | C9 | C10 | 171.4° | 168.3° |
| C3 | O2 | C9 | O10 | 69.3° | 71.8° |
| C3 | O2 | C9 | H14 | 52.9° | 48.3° |
| H3 | C3 | C4 | C5 | 60.0° | 62.9° |
| H3 | C3 | C4 | O3 | 59.5° | 57.0° |
| H3 | C3 | C4 | H4 | 179.4° | 177.2° |
| H3 | C3 | O2 | C9 | 7.5° | 18.7° |
| C5 | C4 | O3 | H4 | 119.3° | 120.2° |
| C4 | C5 | C6 | O1 | 121.5° | 119.9° |
| C4 | C5 | C6 | H5 | 121.1° | 120.0° |
| C4 | C5 | O1 | H5 | 118.6° | 120.0° |
| C4 | C5 | C6 | O4 | 46.3° | 175.6° |
| C4 | C5 | C6 | H6 | 167.0° | 55.6° |
| C4 | C5 | C6 | H7 | 74.3° | 64.4° |
| C5 | C4 | O3 | C27 | 95.9° | 96.7° |
| O3 | C4 | C5 | C6 | 59.5° | 62.5° |
| O3 | C4 | C5 | O1 | 179.1° | 177.5° |
| O3 | C4 | C5 | H5 | 61.6° | 57.5° |
| C4 | O3 | C27 | C28 | 172.4° | 165.0° |
| C4 | O3 | C27 | O24 | 66.2° | 75.1° |
| C4 | O3 | C27 | H45 | 54.3° | 44.9° |
| H4 | C4 | C5 | C6 | 60.6° | 57.7° |
| H4 | C4 | C5 | O1 | 59.0° | 62.3° |
| H4 | C4 | C5 | H5 | 178.3° | 177.7° |
| H4 | C4 | O3 | C27 | 23.5° | 23.5° |
| C6 | C5 | O1 | H5 | 116.8° | 120.0° |
| C5 | C6 | O4 | H6 | 120.6° | 120.0° |
| C5 | C6 | O4 | H7 | 120.6° | 120.0° |
| C5 | C6 | H6 | H7 | 118.0° | 120.0° |
| C5 | C6 | O4 | H11 | 180.0° | 180.0° |
| O1 | C5 | C6 | O4 | 75.1° | 64.5° |
| O1 | C5 | C6 | H6 | 45.5° | 175.5° |
| O1 | C5 | C6 | H7 | 164.2° | 55.5° |
| H5 | C5 | C6 | O4 | 167.4° | 55.6° |
| H5 | C5 | C6 | H6 | 71.9° | 64.4° |
| H5 | C5 | C6 | H7 | 46.8° | 175.6° |
| O4 | C6 | H6 | H7 | 118.1° | 120.0° |
| H6 | C6 | O4 | H11 | 59.4° | 60.0° |
| H7 | C6 | O4 | H11 | 59.4° | 60.0° |
| C8 | C7 | O5 | N1 | 178.1° | 180.0° |
| C7 | C8 | H8 | H9 | 120.0° | 120.0° |
| C7 | C8 | H8 | H10 | 120.0° | 120.0° |
| C7 | C8 | H9 | H10 | 120.0° | 119.9° |
| C8 | C7 | N1 | H12 | 8.3° | 0.0° |
| O5 | C7 | C8 | H8 | 0.0° | 0.0° |
| O5 | C7 | C8 | H9 | 120.0° | 120.0° |
| O5 | C7 | C8 | H10 | 120.0° | 120.1° |
| O5 | C7 | N1 | H12 | 173.4° | 179.9° |
| N1 | C7 | C8 | H8 | 178.3° | 179.9° |
| N1 | C7 | C8 | H9 | 61.7° | 60.0° |
| N1 | C7 | C8 | H10 | 58.3° | 60.0° |
| H8 | C8 | H9 | H10 | 120.0° | 120.1° |
| C10 | C9 | O10 | H14 | 119.6° | 119.9° |
| C10 | C9 | O10 | O2 | 118.2° | 120.0° |
| C10 | C9 | H14 | O2 | 117.8° | 120.1° |
| C9 | C10 | C11 | O7 | 123.5° | 119.9° |
| C9 | C10 | C11 | H15 | 120.5° | 119.9° |
| C9 | C10 | O7 | H15 | 114.8° | 120.1° |
| C9 | C10 | C11 | C12 | 39.3° | 57.0° |
| C9 | C10 | C11 | O8 | 160.4° | 176.9° |
| C9 | C10 | C11 | H16 | 80.0° | 62.9° |
| C10 | C9 | O10 | C13 | 56.7° | 61.2° |
| C9 | C10 | O7 | C15 | 144.5° | 121.1° |
| O10 | C9 | H14 | O2 | 122.3° | 120.1° |
| O10 | C9 | C10 | C11 | 44.5° | 57.6° |
| O10 | C9 | C10 | O7 | 168.8° | 177.5° |
| O10 | C9 | C10 | H15 | 75.8° | 62.3° |
| C9 | O10 | C13 | C12 | 67.5° | 61.2° |
| C9 | O10 | C13 | C14 | 168.5° | 178.8° |
| C9 | O10 | C13 | H18 | 51.9° | 58.8° |
| H14 | C9 | C10 | C11 | 76.0° | 62.3° |
| H14 | C9 | C10 | O7 | 48.3° | 57.6° |
| H14 | C9 | C10 | H15 | 163.7° | 177.7° |
| H14 | C9 | O10 | C13 | 62.9° | 58.8° |
| C11 | C10 | O7 | H15 | 115.1° | 120.2° |
| C10 | C11 | C12 | O8 | 120.7° | 119.8° |
| C10 | C11 | C12 | H16 | 118.9° | 119.9° |
| C10 | C11 | O8 | H16 | 119.1° | 120.2° |
| C10 | C11 | C12 | C13 | 44.6° | 57.0° |
| C10 | C11 | C12 | O9 | 76.3° | 62.9° |
| C10 | C11 | C12 | H17 | 163.7° | 177.0° |
| C11 | C10 | C9 | O2 | 164.4° | 177.6° |
| C11 | C10 | O7 | C15 | 85.4° | 119.2° |
| C10 | C11 | O8 | C21 | 166.8° | 150.0° |
| O7 | C10 | C11 | C12 | 162.8° | 176.9° |
| O7 | C10 | C11 | O8 | 76.1° | 63.3° |
| O7 | C10 | C11 | H16 | 43.6° | 57.0° |
| C10 | O7 | C15 | C16 | 165.5° | 173.5° |
| C10 | O7 | C15 | O15 | 73.3° | 66.6° |
| C10 | O7 | C15 | H23 | 48.2° | 53.5° |
| O7 | C10 | C9 | O2 | 71.3° | 62.6° |
| H15 | C10 | C11 | C12 | 81.2° | 62.9° |
| H15 | C10 | C11 | O8 | 39.9° | 56.9° |
| H15 | C10 | C11 | H16 | 159.6° | 177.2° |
| H15 | C10 | C9 | O2 | 44.1° | 57.6° |
| H15 | C10 | O7 | C15 | 29.7° | 1.0° |
| C12 | C11 | O8 | H16 | 120.1° | 120.2° |
| C11 | C12 | C13 | O9 | 120.7° | 119.9° |
| C11 | C12 | C13 | H17 | 119.2° | 120.0° |
| C11 | C12 | O9 | H17 | 119.3° | 120.2° |
| C11 | C12 | C13 | C14 | 178.8° | 177.6° |
| C11 | C12 | C13 | O10 | 60.0° | 57.6° |
| C11 | C12 | C13 | H18 | 59.9° | 62.4° |
| C11 | C12 | O9 | H21 | 180.0° | 180.0° |
| C12 | C11 | O8 | C21 | 72.4° | 90.4° |
| O8 | C11 | C12 | C13 | 165.3° | 176.8° |
| O8 | C11 | C12 | O9 | 44.4° | 56.9° |
| O8 | C11 | C12 | H17 | 75.6° | 63.2° |
| C11 | O8 | C21 | C22 | 135.9° | 170.0° |
| C11 | O8 | C21 | O19 | 102.4° | 70.1° |
| C11 | O8 | C21 | H34 | 16.8° | 50.0° |
| H16 | C11 | C12 | C13 | 74.3° | 62.9° |
| H16 | C11 | C12 | O9 | 164.8° | 177.2° |
| H16 | C11 | C12 | H17 | 44.8° | 57.1° |
| H16 | C11 | O8 | C21 | 47.7° | 29.8° |
| C13 | C12 | O9 | H17 | 119.4° | 120.2° |
| C12 | C13 | C14 | O10 | 121.9° | 120.0° |
| C12 | C13 | C14 | H18 | 121.1° | 120.0° |
| C12 | C13 | O10 | H18 | 119.4° | 120.0° |
| C12 | C13 | C14 | O11 | 175.7° | 175.0° |
| C12 | C13 | C14 | H19 | 55.5° | 55.0° |
| C12 | C13 | C14 | H20 | 64.1° | 65.0° |
| C13 | C12 | O9 | H21 | 58.7° | 60.3° |
| O9 | C12 | C13 | C14 | 58.1° | 57.7° |
| O9 | C12 | C13 | O10 | 60.7° | 62.3° |
| O9 | C12 | C13 | H18 | 179.4° | 177.7° |
| H17 | C12 | C13 | C14 | 62.0° | 62.4° |
| H17 | C12 | C13 | O10 | 179.2° | 177.6° |
| H17 | C12 | C13 | H18 | 59.3° | 57.5° |
| H17 | C12 | O9 | H21 | 60.7° | 59.8° |
| C14 | C13 | O10 | H18 | 116.6° | 120.0° |
| C13 | C14 | O11 | H19 | 120.2° | 120.0° |
| C13 | C14 | O11 | H20 | 120.2° | 120.0° |
| C13 | C14 | H19 | H20 | 119.4° | 120.0° |
| C13 | C14 | O11 | H22 | 180.0° | 180.0° |
| O10 | C13 | C14 | O11 | 62.4° | 65.1° |
| O10 | C13 | C14 | H19 | 177.4° | 175.0° |
| O10 | C13 | C14 | H20 | 57.8° | 54.9° |
| C13 | O10 | C9 | O2 | 174.8° | 178.9° |
| H18 | C13 | C14 | O11 | 54.6° | 55.0° |
| H18 | C13 | C14 | H19 | 65.6° | 65.0° |
| H18 | C13 | C14 | H20 | 174.8° | 174.9° |
| O11 | C14 | H19 | H20 | 119.4° | 120.0° |
| H19 | C14 | O11 | H22 | 59.8° | 60.0° |
| H20 | C14 | O11 | H22 | 59.8° | 60.0° |
| C16 | C15 | O15 | H23 | 118.3° | 120.0° |
| C16 | C15 | O15 | O7 | 120.0° | 120.0° |
| C16 | C15 | H23 | O7 | 117.3° | 120.0° |
| C15 | C16 | C17 | O12 | 120.9° | 119.9° |
| C15 | C16 | C17 | H24 | 119.8° | 119.9° |
| C15 | C16 | O12 | H24 | 119.2° | 120.2° |
| C15 | C16 | C17 | C18 | 56.8° | 57.0° |
| C15 | C16 | C17 | O13 | 179.8° | 176.8° |
| C15 | C16 | C17 | H25 | 59.6° | 62.8° |
| C16 | C15 | O15 | C19 | 55.1° | 61.2° |
| C15 | C16 | O12 | H31 | 180.0° | 60.0° |
| O15 | C15 | H23 | O7 | 123.1° | 120.0° |
| O15 | C15 | C16 | C17 | 53.4° | 57.6° |
| O15 | C15 | C16 | O12 | 173.5° | 177.5° |
| O15 | C15 | C16 | H24 | 66.5° | 62.3° |
| C15 | O15 | C19 | C18 | 58.6° | 61.2° |
| C15 | O15 | C19 | C20 | 179.2° | 178.9° |
| C15 | O15 | C19 | H27 | 61.2° | 58.8° |
| H23 | C15 | C16 | C17 | 172.6° | 177.6° |
| H23 | C15 | C16 | O12 | 67.4° | 62.5° |
| H23 | C15 | C16 | H24 | 52.6° | 57.7° |
| H23 | C15 | O15 | C19 | 173.4° | 178.8° |
| C17 | C16 | O12 | H24 | 118.7° | 120.1° |
| C16 | C17 | C18 | O13 | 123.9° | 119.8° |
| C16 | C17 | C18 | H25 | 116.8° | 119.8° |
| C16 | C17 | O13 | H25 | 120.0° | 120.3° |
| C16 | C17 | C18 | C19 | 58.8° | 57.0° |
| C16 | C17 | C18 | O14 | 61.9° | 62.9° |
| C16 | C17 | C18 | H26 | 176.9° | 176.9° |
| C17 | C16 | O12 | H31 | 58.0° | 179.7° |
| C16 | C17 | O13 | H32 | 180.0° | 60.0° |
| C17 | C16 | C15 | O7 | 69.1° | 62.4° |
| O12 | C16 | C17 | C18 | 177.6° | 176.9° |
| O12 | C16 | C17 | O13 | 59.4° | 63.3° |
| O12 | C16 | C17 | H25 | 61.3° | 57.1° |
| O12 | C16 | C15 | O7 | 51.0° | 57.5° |
| H24 | C16 | C17 | C18 | 63.0° | 62.9° |
| H24 | C16 | C17 | O13 | 60.0° | 56.9° |
| H24 | C16 | C17 | H25 | 179.4° | 177.2° |
| H24 | C16 | O12 | H31 | 60.8° | 60.2° |
| H24 | C16 | C15 | O7 | 170.9° | 177.7° |
| C18 | C17 | O13 | H25 | 118.2° | 120.2° |
| C17 | C18 | C19 | O14 | 121.6° | 119.9° |
| C17 | C18 | C19 | H26 | 117.9° | 119.9° |
| C17 | C18 | O14 | H26 | 120.3° | 120.1° |
| C17 | C18 | C19 | C20 | 175.5° | 177.6° |
| C17 | C18 | C19 | O15 | 57.8° | 57.6° |
| C17 | C18 | C19 | H27 | 62.6° | 62.4° |
| C18 | C17 | O13 | H32 | 58.2° | 179.6° |
| C17 | C18 | O14 | H33 | 180.0° | 180.0° |
| O13 | C17 | C18 | C19 | 177.3° | 176.8° |
| O13 | C17 | C18 | O14 | 62.0° | 56.9° |
| O13 | C17 | C18 | H26 | 59.2° | 63.2° |
| H25 | C17 | C18 | C19 | 58.0° | 62.9° |
| H25 | C17 | C18 | O14 | 178.7° | 177.2° |
| H25 | C17 | C18 | H26 | 60.2° | 57.1° |
| H25 | C17 | O13 | H32 | 60.0° | 60.2° |
| C19 | C18 | O14 | H26 | 119.8° | 120.2° |
| C18 | C19 | C20 | O15 | 119.6° | 119.9° |
| C18 | C19 | C20 | H27 | 121.8° | 120.0° |
| C18 | C19 | O15 | H27 | 119.8° | 120.0° |
| C18 | C19 | C20 | H28 | 180.0° | 60.9° |
| C18 | C19 | C20 | H29 | 60.0° | 179.1° |
| C18 | C19 | C20 | H30 | 60.0° | 59.1° |
| C19 | C18 | O14 | H33 | 60.2° | 60.3° |
| O14 | C18 | C19 | C20 | 53.9° | 57.7° |
| O14 | C18 | C19 | O15 | 63.8° | 62.3° |
| O14 | C18 | C19 | H27 | 175.8° | 177.7° |
| H26 | C18 | C19 | C20 | 66.6° | 62.5° |
| H26 | C18 | C19 | O15 | 175.7° | 177.6° |
| H26 | C18 | C19 | H27 | 55.2° | 57.5° |
| H26 | C18 | O14 | H33 | 59.7° | 59.9° |
| C20 | C19 | O15 | H27 | 118.0° | 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 | 60.4° | 179.1° |
| O15 | C19 | C20 | H29 | 59.6° | 59.1° |
| O15 | C19 | C20 | H30 | 179.6° | 60.8° |
| C19 | O15 | C15 | O7 | 64.9° | 58.8° |
| H27 | C19 | C20 | H28 | 58.2° | 59.1° |
| H27 | C19 | C20 | H29 | 178.2° | 60.9° |
| H27 | C19 | C20 | H30 | 61.8° | 179.1° |
| H28 | C20 | H29 | H30 | 120.0° | 120.1° |
| C22 | C21 | O19 | H34 | 122.2° | 120.0° |
| C22 | C21 | O19 | O8 | 118.4° | 120.0° |
| C22 | C21 | H34 | O8 | 118.9° | 120.0° |
| C21 | C22 | C23 | O16 | 119.3° | 120.0° |
| C21 | C22 | C23 | H35 | 118.8° | 119.9° |
| C21 | C22 | O16 | H35 | 117.5° | 120.1° |
| C21 | C22 | C23 | C24 | 58.1° | 56.9° |
| C21 | C22 | C23 | O17 | 179.1° | 176.8° |
| C21 | C22 | C23 | H36 | 59.2° | 62.9° |
| C22 | C21 | O19 | C25 | 48.5° | 61.1° |
| C21 | C22 | O16 | H41 | 180.0° | 59.9° |
| O19 | C21 | H34 | O8 | 116.4° | 120.0° |
| O19 | C21 | C22 | C23 | 52.1° | 57.6° |
| O19 | C21 | C22 | O16 | 174.8° | 177.5° |
| O19 | C21 | C22 | H35 | 66.7° | 62.3° |
| C21 | O19 | C25 | C24 | 52.1° | 61.1° |
| C21 | O19 | C25 | C26 | 175.6° | 178.9° |
| C21 | O19 | C25 | H38 | 68.3° | 58.9° |
| H34 | C21 | C22 | C23 | 175.1° | 177.6° |
| H34 | C21 | C22 | O16 | 62.2° | 62.5° |
| H34 | C21 | C22 | H35 | 56.3° | 57.7° |
| H34 | C21 | O19 | C25 | 170.7° | 178.9° |
| C23 | C22 | O16 | H35 | 121.1° | 120.1° |
| C22 | C23 | C24 | O17 | 123.7° | 120.0° |
| C22 | C23 | C24 | H36 | 117.3° | 119.9° |
| C22 | C23 | O17 | H36 | 120.9° | 120.2° |
| C22 | C23 | C24 | C25 | 60.6° | 56.9° |
| C22 | C23 | C24 | O18 | 63.4° | 63.0° |
| C22 | C23 | C24 | H37 | 177.0° | 176.9° |
| C23 | C22 | O16 | H41 | 58.6° | 179.7° |
| C22 | C23 | O17 | H42 | 180.0° | 60.0° |
| C23 | C22 | C21 | O8 | 64.6° | 62.4° |
| O16 | C22 | C23 | C24 | 177.5° | 176.9° |
| O16 | C22 | C23 | O17 | 61.6° | 63.2° |
| O16 | C22 | C23 | H36 | 60.1° | 57.0° |
| O16 | C22 | C21 | O8 | 58.0° | 57.5° |
| H35 | C22 | C23 | C24 | 60.6° | 63.0° |
| H35 | C22 | C23 | O17 | 60.3° | 57.0° |
| H35 | C22 | C23 | H36 | 178.0° | 177.2° |
| H35 | C22 | O16 | H41 | 62.5° | 60.2° |
| H35 | C22 | C21 | O8 | 176.5° | 177.7° |
| C24 | C23 | O17 | H36 | 118.1° | 120.2° |
| C23 | C24 | C25 | O18 | 123.7° | 119.8° |
| C23 | C24 | C25 | H37 | 116.4° | 120.0° |
| C23 | C24 | O18 | H37 | 118.9° | 120.2° |
| C23 | C24 | C25 | C26 | 176.1° | 177.5° |
| C23 | C24 | C25 | O19 | 57.4° | 57.5° |
| C23 | C24 | C25 | H38 | 63.2° | 62.4° |
| C24 | C23 | O17 | H42 | 59.0° | 179.6° |
| C23 | C24 | O18 | H43 | 180.0° | 60.0° |
| O17 | C23 | C24 | C25 | 175.7° | 176.9° |
| O17 | C23 | C24 | O18 | 60.3° | 57.0° |
| O17 | C23 | C24 | H37 | 59.2° | 63.2° |
| H36 | C23 | C24 | C25 | 56.7° | 63.0° |
| H36 | C23 | C24 | O18 | 179.2° | 177.2° |
| H36 | C23 | C24 | H37 | 59.7° | 57.0° |
| H36 | C23 | O17 | H42 | 59.1° | 60.3° |
| C25 | C24 | O18 | H37 | 119.4° | 120.2° |
| C24 | C25 | C26 | O19 | 123.3° | 120.0° |
| C24 | C25 | C26 | H38 | 120.5° | 120.1° |
| C24 | C25 | O19 | H38 | 120.4° | 120.0° |
| C24 | C25 | C26 | O20 | 164.8° | 174.9° |
| C24 | C25 | C26 | H39 | 44.6° | 55.0° |
| C24 | C25 | C26 | H40 | 75.0° | 65.0° |
| C25 | C24 | O18 | H43 | 58.3° | 179.6° |
| O18 | C24 | C25 | C26 | 52.4° | 57.7° |
| O18 | C24 | C25 | O19 | 66.4° | 62.3° |
| O18 | C24 | C25 | H38 | 173.0° | 177.7° |
| H37 | C24 | C25 | C26 | 67.5° | 62.5° |
| H37 | C24 | C25 | O19 | 173.7° | 177.5° |
| H37 | C24 | C25 | H38 | 53.1° | 57.6° |
| H37 | C24 | O18 | H43 | 61.1° | 60.2° |
| C26 | C25 | O19 | H38 | 116.1° | 120.0° |
| C25 | C26 | O20 | H39 | 120.2° | 120.0° |
| C25 | C26 | O20 | H40 | 120.2° | 120.1° |
| C25 | C26 | H39 | H40 | 119.4° | 120.0° |
| C25 | C26 | O20 | H44 | 180.0° | 180.0° |
| O19 | C25 | C26 | O20 | 71.9° | 65.1° |
| O19 | C25 | C26 | H39 | 167.9° | 175.0° |
| O19 | C25 | C26 | H40 | 48.3° | 55.0° |
| C25 | O19 | C21 | O8 | 69.9° | 58.8° |
| H38 | C25 | C26 | O20 | 44.3° | 54.9° |
| H38 | C25 | C26 | H39 | 75.9° | 65.1° |
| H38 | C25 | C26 | H40 | 164.5° | 175.0° |
| O20 | C26 | H39 | H40 | 119.4° | 120.0° |
| H39 | C26 | O20 | H44 | 59.8° | 60.1° |
| H40 | C26 | O20 | H44 | 59.8° | 59.9° |
| C28 | C27 | O24 | H45 | 122.2° | 120.0° |
| C28 | C27 | O24 | O3 | 117.1° | 120.0° |
| C28 | C27 | H45 | O3 | 116.5° | 120.0° |
| C27 | C28 | C29 | O21 | 123.7° | 119.9° |
| C27 | C28 | C29 | H46 | 117.9° | 119.9° |
| C27 | C28 | O21 | H46 | 117.6° | 120.1° |
| C27 | C28 | C29 | C30 | 52.5° | 57.0° |
| C27 | C28 | C29 | O22 | 172.1° | 176.8° |
| C27 | C28 | C29 | H47 | 67.2° | 62.9° |
| C28 | C27 | O24 | C31 | 51.1° | 61.2° |
| C27 | C28 | O21 | H53 | 180.0° | 60.0° |
| O24 | C27 | H45 | O3 | 119.0° | 120.0° |
| O24 | C27 | C28 | C29 | 48.5° | 57.6° |
| O24 | C27 | C28 | O21 | 172.2° | 177.6° |
| O24 | C27 | C28 | H46 | 69.4° | 62.3° |
| C27 | O24 | C31 | C30 | 57.2° | 61.2° |
| C27 | O24 | C31 | C32 | 177.4° | 178.9° |
| C27 | O24 | C31 | H49 | 61.2° | 58.8° |
| H45 | C27 | C28 | C29 | 171.4° | 177.6° |
| H45 | C27 | C28 | O21 | 64.9° | 62.5° |
| H45 | C27 | C28 | H46 | 53.5° | 57.7° |
| H45 | C27 | O24 | C31 | 173.3° | 178.8° |
| C29 | C28 | O21 | H46 | 117.6° | 120.2° |
| C28 | C29 | C30 | O22 | 119.0° | 119.9° |
| C28 | C29 | C30 | H47 | 119.6° | 119.9° |
| C28 | C29 | O22 | H47 | 119.8° | 120.3° |
| C28 | C29 | C30 | C31 | 58.0° | 57.0° |
| C28 | C29 | C30 | O23 | 63.7° | 62.9° |
| C28 | C29 | C30 | H48 | 176.7° | 176.9° |
| C29 | C28 | O21 | H53 | 55.2° | 179.7° |
| C28 | C29 | O22 | H54 | 180.0° | 60.0° |
| C29 | C28 | C27 | O3 | 69.5° | 62.4° |
| O21 | C28 | C29 | C30 | 176.2° | 176.9° |
| O21 | C28 | C29 | O22 | 64.1° | 63.3° |
| O21 | C28 | C29 | H47 | 56.5° | 57.0° |
| O21 | C28 | C27 | O3 | 54.3° | 57.5° |
| H46 | C28 | C29 | C30 | 65.4° | 62.9° |
| H46 | C28 | C29 | O22 | 54.3° | 56.9° |
| H46 | C28 | C29 | H47 | 174.9° | 177.2° |
| H46 | C28 | O21 | H53 | 62.4° | 60.1° |
| H46 | C28 | C27 | O3 | 172.6° | 177.7° |
| C30 | C29 | O22 | H47 | 120.8° | 120.2° |
| C29 | C30 | C31 | O23 | 119.1° | 119.9° |
| C29 | C30 | C31 | H48 | 118.8° | 119.9° |
| C29 | C30 | O23 | H48 | 118.9° | 120.1° |
| C29 | C30 | C31 | C32 | 179.9° | 177.6° |
| C29 | C30 | C31 | O24 | 60.3° | 57.6° |
| C29 | C30 | C31 | H49 | 58.8° | 62.4° |
| C30 | C29 | O22 | H54 | 60.6° | 179.5° |
| C29 | C30 | O23 | H55 | 180.0° | 180.0° |
| O22 | C29 | C30 | C31 | 176.9° | 176.9° |
| O22 | C29 | C30 | O23 | 55.3° | 56.9° |
| O22 | C29 | C30 | H48 | 64.4° | 63.2° |
| H47 | C29 | C30 | C31 | 61.6° | 62.9° |
| H47 | C29 | C30 | O23 | 176.7° | 177.2° |
| H47 | C29 | C30 | H48 | 57.0° | 57.0° |
| H47 | C29 | O22 | H54 | 60.1° | 60.3° |
| C31 | C30 | O23 | H48 | 121.2° | 120.1° |
| C30 | C31 | C32 | O24 | 122.3° | 119.9° |
| C30 | C31 | C32 | H49 | 120.9° | 120.0° |
| C30 | C31 | O24 | H49 | 118.4° | 120.0° |
| C30 | C31 | C32 | H50 | 180.0° | 60.0° |
| C30 | C31 | C32 | H51 | 60.0° | 180.0° |
| C30 | C31 | C32 | H52 | 60.0° | 60.0° |
| C31 | C30 | O23 | H55 | 60.2° | 60.3° |
| O23 | C30 | C31 | C32 | 61.0° | 57.6° |
| O23 | C30 | C31 | O24 | 58.8° | 62.3° |
| O23 | C30 | C31 | H49 | 177.9° | 177.7° |
| H48 | C30 | C31 | C32 | 61.1° | 62.5° |
| H48 | C30 | C31 | O24 | 179.1° | 177.5° |
| H48 | C30 | C31 | H49 | 60.0° | 57.5° |
| H48 | C30 | O23 | H55 | 61.1° | 59.9° |
| C32 | C31 | O24 | H49 | 116.2° | 120.1° |
| C31 | C32 | H50 | H51 | 120.0° | 120.0° |
| C31 | C32 | H50 | H52 | 120.0° | 120.0° |
| C31 | C32 | H51 | H52 | 120.0° | 120.1° |
| O24 | C31 | C32 | H50 | 57.7° | 179.9° |
| O24 | C31 | C32 | H51 | 62.3° | 60.1° |
| O24 | C31 | C32 | H52 | 177.7° | 59.9° |
| C31 | O24 | C27 | O3 | 66.0° | 58.8° |
| H49 | C31 | C32 | H50 | 59.1° | 60.1° |
| H49 | C31 | C32 | H51 | 179.1° | 59.9° |
| H49 | C31 | C32 | H52 | 60.9° | NaN° |
| H50 | C32 | H51 | H52 | 120.0° | 119.9° |
