PRD_900121
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 | O4 | sing | 1.43Å | 1.43Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C2 | C3 | sing | 1.53Å | 1.53Å | |
| C2 | N1 | sing | 1.46Å | 1.46Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C3 | C4 | sing | 1.53Å | 1.53Å | |
| C3 | O2 | sing | 1.43Å | 1.42Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C4 | C5 | sing | 1.53Å | 1.54Å | |
| C4 | O3 | sing | 1.43Å | 1.43Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C5 | C6 | sing | 1.53Å | 1.54Å | |
| C5 | O4 | sing | 1.43Å | 1.43Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C6 | O5 | sing | 1.43Å | 1.39Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| C6 | H7 | sing | 1.09Å | 1.10Å | |
| C7 | C8 | sing | 1.51Å | 1.52Å | |
| C7 | N1 | sing | 1.35Å | 1.33Å | |
| C7 | O6 | doub | 1.21Å | 1.25Å | |
| 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 | 1.52Å | |
| C9 | O10 | sing | 1.43Å | 1.43Å | |
| C9 | H14 | sing | 1.09Å | 1.10Å | |
| C10 | C11 | sing | 1.53Å | 1.52Å | |
| C10 | O7 | sing | 1.43Å | 1.40Å | |
| C10 | H15 | sing | 1.09Å | 1.10Å | |
| C11 | C12 | sing | 1.53Å | 1.53Å | |
| 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 | 1.43Å | |
| C12 | H17 | sing | 1.09Å | 1.10Å | |
| C13 | C14 | sing | 1.53Å | 1.52Å | |
| C13 | O10 | sing | 1.43Å | 1.41Å | |
| C13 | H18 | sing | 1.09Å | 1.10Å | |
| C14 | O11 | sing | 1.43Å | 1.40Å | |
| C14 | H19 | sing | 1.09Å | 1.10Å | |
| C14 | H20 | sing | 1.09Å | 1.10Å | |
| O7 | H21 | sing | 0.97Å | 0.95Å | |
| O9 | H22 | sing | 0.97Å | 0.95Å | |
| O11 | H23 | sing | 0.97Å | 0.95Å | |
| C15 | C16 | sing | 1.51Å | 1.54Å | |
| C15 | O12 | doub | 1.21Å | 1.26Å | |
| C15 | O13 | sing | 1.34Å | 1.25Å | |
| C16 | C17 | sing | 1.53Å | 1.53Å | |
| C16 | O15 | sing | 1.43Å | 1.45Å | |
| C17 | C18 | sing | 1.53Å | 1.52Å | |
| C17 | H24 | sing | 1.09Å | 1.10Å | |
| C17 | H25 | sing | 1.09Å | 1.10Å | |
| C18 | C19 | sing | 1.53Å | 1.53Å | |
| C18 | O14 | sing | 1.43Å | 1.43Å | |
| C18 | H26 | sing | 1.09Å | 1.10Å | |
| C19 | C20 | sing | 1.53Å | 1.52Å | |
| C19 | N2 | sing | 1.47Å | 1.46Å | |
| C19 | H27 | sing | 1.09Å | 1.10Å | |
| C20 | C21 | sing | 1.53Å | 1.53Å | |
| C20 | O15 | sing | 1.43Å | 1.43Å | |
| C20 | H28 | sing | 1.09Å | 1.10Å | |
| C21 | C22 | sing | 1.53Å | 1.52Å | |
| C21 | O16 | sing | 1.43Å | 1.44Å | |
| C21 | H29 | sing | 1.09Å | 1.10Å | |
| C22 | C23 | sing | 1.53Å | 1.53Å | |
| C22 | O17 | sing | 1.43Å | 1.44Å | |
| C22 | H30 | sing | 1.09Å | 1.10Å | |
| C23 | O18 | sing | 1.43Å | 1.45Å | |
| C23 | H31 | sing | 1.09Å | 1.10Å | |
| C23 | H32 | sing | 1.09Å | 1.10Å | |
| C24 | C25 | sing | 1.51Å | 1.48Å | |
| C24 | N2 | sing | 1.35Å | 1.35Å | |
| C24 | O19 | doub | 1.21Å | 1.24Å | |
| C25 | H33 | sing | 1.09Å | 1.10Å | |
| C25 | H34 | sing | 1.09Å | 1.10Å | |
| C25 | H35 | sing | 1.09Å | 1.10Å | |
| N2 | H36 | sing | 0.97Å | 1.00Å | |
| O13 | H37 | sing | 0.97Å | 0.95Å | |
| O14 | H38 | sing | 0.97Å | 0.95Å | |
| O16 | H39 | sing | 0.97Å | 0.95Å | |
| O17 | H40 | sing | 0.97Å | 0.95Å | |
| O18 | H41 | sing | 0.97Å | 0.95Å | |
| C26 | C27 | sing | 1.53Å | 1.51Å | |
| C26 | O23 | sing | 1.43Å | 1.40Å | |
| C26 | H42 | sing | 1.09Å | 1.10Å | |
| C27 | C28 | sing | 1.53Å | 1.53Å | |
| C27 | O20 | sing | 1.43Å | 1.40Å | |
| C27 | H43 | sing | 1.09Å | 1.10Å | |
| C28 | C29 | sing | 1.53Å | 1.51Å | |
| C28 | O21 | sing | 1.43Å | 1.41Å | |
| C28 | H44 | sing | 1.09Å | 1.10Å | |
| C29 | C30 | sing | 1.53Å | 1.51Å | |
| C29 | O22 | sing | 1.43Å | 1.40Å | |
| C29 | H45 | sing | 1.09Å | 1.10Å | |
| C30 | C31 | sing | 1.53Å | 1.53Å | |
| C30 | O23 | sing | 1.43Å | 1.44Å | |
| C30 | H46 | sing | 1.09Å | 1.10Å | |
| C31 | H47 | sing | 1.09Å | 1.10Å | |
| C31 | H48 | sing | 1.09Å | 1.10Å | |
| C31 | H49 | sing | 1.09Å | 1.10Å | |
| O20 | H50 | sing | 0.97Å | 0.95Å | |
| O21 | H51 | sing | 0.97Å | 0.95Å | |
| O22 | H52 | sing | 0.97Å | 0.95Å | |
| O3 | C9 | sing | 1.43Å | 1.34Å | |
| O2 | C26 | sing | 1.43Å | 1.32Å | |
| O8 | C16 | sing | 1.43Å | 1.38Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | O1 | 104.5° | 109.5° |
| C2 | C1 | O4 | 112.6° | 109.4° |
| C2 | C1 | H1 | 108.2° | 109.4° |
| C1 | C2 | C3 | 112.9° | 109.2° |
| C1 | C2 | N1 | 106.7° | 109.5° |
| C1 | C2 | H2 | 108.3° | 109.5° |
| O1 | C1 | O4 | 112.4° | 109.5° |
| O1 | C1 | H1 | 109.6° | 109.5° |
| C1 | O1 | H12 | 109.5° | 114.0° |
| O4 | C1 | H1 | 109.4° | 109.5° |
| C1 | O4 | C5 | 115.0° | 114.1° |
| C3 | C2 | N1 | 111.4° | 109.5° |
| C3 | C2 | H2 | 108.3° | 109.5° |
| C2 | C3 | C4 | 111.9° | 109.0° |
| C2 | C3 | O2 | 112.6° | 109.5° |
| C2 | C3 | H3 | 106.9° | 109.5° |
| N1 | C2 | H2 | 109.2° | 109.6° |
| C2 | N1 | C7 | 116.9° | 120.0° |
| C2 | N1 | H11 | 121.6° | 120.1° |
| C4 | C3 | O2 | 109.9° | 109.6° |
| C4 | C3 | H3 | 107.0° | 109.6° |
| C3 | C4 | C5 | 110.6° | 109.1° |
| C3 | C4 | O3 | 107.9° | 109.5° |
| C3 | C4 | H4 | 108.6° | 109.5° |
| O2 | C3 | H3 | 108.3° | 109.6° |
| C3 | O2 | C26 | 119.1° | 114.0° |
| C5 | C4 | O3 | 111.5° | 109.5° |
| C5 | C4 | H4 | 108.4° | 109.5° |
| C4 | C5 | C6 | 112.0° | 109.5° |
| C4 | C5 | O4 | 111.7° | 109.4° |
| C4 | C5 | H5 | 106.5° | 109.5° |
| O3 | C4 | H4 | 109.9° | 109.6° |
| C4 | O3 | C9 | 111.4° | 114.0° |
| C6 | C5 | O4 | 111.8° | 109.5° |
| C6 | C5 | H5 | 106.6° | 109.5° |
| C5 | C6 | O5 | 108.4° | 109.5° |
| C5 | C6 | H6 | 109.7° | 109.5° |
| C5 | C6 | H7 | 109.7° | 109.5° |
| O4 | C5 | H5 | 107.9° | 109.5° |
| O5 | C6 | H6 | 109.7° | 109.5° |
| O5 | C6 | H7 | 109.7° | 109.5° |
| C6 | O5 | H13 | 109.5° | 114.1° |
| H6 | C6 | H7 | 109.5° | 109.4° |
| C8 | C7 | N1 | 117.7° | 120.0° |
| C8 | C7 | O6 | 122.8° | 120.0° |
| C7 | C8 | H8 | 109.5° | 109.5° |
| C7 | C8 | H9 | 109.5° | 109.5° |
| C7 | C8 | H10 | 109.5° | 109.5° |
| N1 | C7 | O6 | 119.5° | 120.0° |
| C7 | N1 | H11 | 121.6° | 119.9° |
| H8 | C8 | H9 | 109.4° | 109.5° |
| H8 | C8 | H10 | 109.5° | 109.5° |
| H9 | C8 | H10 | 109.5° | 109.5° |
| C10 | C9 | O10 | 113.0° | 109.4° |
| C10 | C9 | H14 | 103.3° | 109.5° |
| C9 | C10 | C11 | 110.5° | 109.2° |
| C9 | C10 | O7 | 107.4° | 109.5° |
| C9 | C10 | H15 | 109.3° | 109.6° |
| C10 | C9 | O3 | 105.7° | 109.5° |
| O10 | C9 | H14 | 104.0° | 109.5° |
| C9 | O10 | C13 | 115.6° | 114.1° |
| O10 | C9 | O3 | 123.5° | 109.5° |
| H14 | C9 | O3 | 105.1° | 109.5° |
| C11 | C10 | O7 | 109.3° | 109.5° |
| C11 | C10 | H15 | 109.3° | 109.5° |
| C10 | C11 | C12 | 112.1° | 109.0° |
| C10 | C11 | O8 | 110.5° | 109.6° |
| C10 | C11 | H16 | 107.0° | 109.6° |
| O7 | C10 | H15 | 110.9° | 109.5° |
| C10 | O7 | H21 | 109.5° | 114.0° |
| C12 | C11 | O8 | 111.8° | 109.6° |
| C12 | C11 | H16 | 106.9° | 109.5° |
| C11 | C12 | C13 | 107.0° | 109.2° |
| C11 | C12 | O9 | 113.0° | 109.5° |
| C11 | C12 | H17 | 107.9° | 109.5° |
| O8 | C11 | H16 | 108.3° | 109.6° |
| C11 | O8 | C16 | 122.2° | 114.0° |
| C13 | C12 | O9 | 111.7° | 109.5° |
| C13 | C12 | H17 | 107.9° | 109.5° |
| C12 | C13 | C14 | 113.6° | 109.5° |
| C12 | C13 | O10 | 107.1° | 109.4° |
| C12 | C13 | H18 | 108.9° | 109.5° |
| O9 | C12 | H17 | 109.2° | 109.6° |
| C12 | O9 | H22 | 109.5° | 114.0° |
| C14 | C13 | O10 | 107.5° | 109.5° |
| C14 | C13 | H18 | 109.1° | 109.5° |
| C13 | C14 | O11 | 106.6° | 109.5° |
| C13 | C14 | H19 | 110.2° | 109.5° |
| C13 | C14 | H20 | 110.2° | 109.5° |
| O10 | C13 | H18 | 110.6° | 109.5° |
| O11 | C14 | H19 | 110.2° | 109.4° |
| O11 | C14 | H20 | 110.2° | 109.5° |
| C14 | O11 | H23 | 109.5° | 114.0° |
| H19 | C14 | H20 | 109.5° | 109.5° |
| C16 | C15 | O12 | 120.6° | 120.0° |
| C16 | C15 | O13 | 119.4° | 120.0° |
| C15 | C16 | C17 | 114.1° | 109.5° |
| C15 | C16 | O15 | 111.2° | 109.5° |
| C15 | C16 | O8 | 105.1° | 109.5° |
| O12 | C15 | O13 | 119.9° | 120.0° |
| C15 | O13 | H37 | 109.5° | 117.0° |
| C17 | C16 | O15 | 110.0° | 109.4° |
| C16 | C17 | C18 | 111.6° | 109.1° |
| C16 | C17 | H24 | 108.9° | 109.5° |
| C16 | C17 | H25 | 108.9° | 109.5° |
| C17 | C16 | O8 | 105.8° | 109.5° |
| C16 | O15 | C20 | 116.9° | 114.1° |
| O15 | C16 | O8 | 110.3° | 109.5° |
| C18 | C17 | H24 | 109.0° | 109.6° |
| C18 | C17 | H25 | 109.0° | 109.6° |
| C17 | C18 | C19 | 113.8° | 109.1° |
| C17 | C18 | O14 | 110.7° | 109.5° |
| C17 | C18 | H26 | 108.2° | 109.6° |
| H24 | C17 | H25 | 109.4° | 109.6° |
| C19 | C18 | O14 | 106.8° | 109.5° |
| C19 | C18 | H26 | 108.0° | 109.5° |
| C18 | C19 | C20 | 108.3° | 109.1° |
| C18 | C19 | N2 | 103.0° | 109.5° |
| C18 | C19 | H27 | 112.4° | 109.5° |
| O14 | C18 | H26 | 109.3° | 109.6° |
| C18 | O14 | H38 | 109.5° | 114.0° |
| C20 | C19 | N2 | 106.3° | 109.5° |
| C20 | C19 | H27 | 112.7° | 109.5° |
| C19 | C20 | C21 | 114.0° | 109.5° |
| C19 | C20 | O15 | 108.9° | 109.4° |
| C19 | C20 | H28 | 107.7° | 109.5° |
| N2 | C19 | H27 | 113.5° | 109.6° |
| C19 | N2 | C24 | 127.1° | 120.0° |
| C19 | N2 | H36 | 116.4° | 120.0° |
| C21 | C20 | O15 | 109.8° | 109.5° |
| C21 | C20 | H28 | 107.5° | 109.5° |
| C20 | C21 | C22 | 107.4° | 109.5° |
| C20 | C21 | O16 | 115.2° | 109.5° |
| C20 | C21 | H29 | 107.3° | 109.5° |
| O15 | C20 | H28 | 108.8° | 109.5° |
| C22 | C21 | O16 | 110.7° | 109.5° |
| C22 | C21 | H29 | 107.5° | 109.4° |
| C21 | C22 | C23 | 113.1° | 109.5° |
| C21 | C22 | O17 | 106.5° | 109.5° |
| C21 | C22 | H30 | 108.0° | 109.5° |
| O16 | C21 | H29 | 108.4° | 109.5° |
| C21 | O16 | H39 | 109.5° | 114.0° |
| C23 | C22 | O17 | 112.1° | 109.5° |
| C23 | C22 | H30 | 107.9° | 109.4° |
| C22 | C23 | O18 | 107.8° | 109.5° |
| C22 | C23 | H31 | 109.9° | 109.5° |
| C22 | C23 | H32 | 109.9° | 109.4° |
| O17 | C22 | H30 | 109.0° | 109.5° |
| C22 | O17 | H40 | 109.5° | 114.0° |
| O18 | C23 | H31 | 109.9° | 109.5° |
| O18 | C23 | H32 | 109.9° | 109.4° |
| C23 | O18 | H41 | 109.5° | 114.0° |
| H31 | C23 | H32 | 109.5° | 109.5° |
| C25 | C24 | N2 | 116.9° | 120.0° |
| C25 | C24 | O19 | 121.0° | 120.0° |
| C24 | C25 | H33 | 109.5° | 109.5° |
| C24 | C25 | H34 | 109.5° | 109.4° |
| C24 | C25 | H35 | 109.4° | 109.4° |
| N2 | C24 | O19 | 122.1° | 120.0° |
| C24 | N2 | H36 | 116.4° | 120.1° |
| H33 | C25 | H34 | 109.4° | 109.5° |
| H33 | C25 | H35 | 109.5° | 109.5° |
| H34 | C25 | H35 | 109.5° | 109.5° |
| C27 | C26 | O23 | 109.2° | 109.4° |
| C27 | C26 | H42 | 106.0° | 109.5° |
| C26 | C27 | C28 | 109.8° | 109.2° |
| C26 | C27 | O20 | 109.0° | 109.5° |
| C26 | C27 | H43 | 109.8° | 109.5° |
| C27 | C26 | O2 | 114.9° | 109.5° |
| O23 | C26 | H42 | 107.3° | 109.5° |
| C26 | O23 | C30 | 115.9° | 114.1° |
| O23 | C26 | O2 | 110.7° | 109.5° |
| H42 | C26 | O2 | 108.3° | 109.5° |
| C28 | C27 | O20 | 107.1° | 109.6° |
| C28 | C27 | H43 | 109.6° | 109.6° |
| C27 | C28 | C29 | 110.2° | 109.0° |
| C27 | C28 | O21 | 108.4° | 109.5° |
| C27 | C28 | H44 | 109.4° | 109.5° |
| O20 | C27 | H43 | 111.5° | 109.5° |
| C27 | O20 | H50 | 109.5° | 114.1° |
| C29 | C28 | O21 | 107.8° | 109.5° |
| C29 | C28 | H44 | 109.7° | 109.6° |
| C28 | C29 | C30 | 108.2° | 109.2° |
| C28 | C29 | O22 | 107.3° | 109.5° |
| C28 | C29 | H45 | 110.7° | 109.5° |
| O21 | C28 | H44 | 111.2° | 109.6° |
| C28 | O21 | H51 | 109.5° | 113.9° |
| C30 | C29 | O22 | 107.3° | 109.6° |
| C30 | C29 | H45 | 110.7° | 109.5° |
| C29 | C30 | C31 | 109.5° | 109.5° |
| C29 | C30 | O23 | 110.7° | 109.4° |
| C29 | C30 | H46 | 108.1° | 109.5° |
| O22 | C29 | H45 | 112.5° | 109.5° |
| C29 | O22 | H52 | 109.5° | 114.0° |
| C31 | C30 | O23 | 111.4° | 109.5° |
| C31 | C30 | H46 | 107.8° | 109.5° |
| C30 | C31 | H47 | 109.5° | 109.5° |
| C30 | C31 | H48 | 109.5° | 109.5° |
| C30 | C31 | H49 | 109.5° | 109.6° |
| O23 | C30 | H46 | 109.1° | 109.5° |
| H47 | C31 | H48 | 109.5° | 109.4° |
| H47 | C31 | H49 | 109.5° | 109.5° |
| H48 | C31 | H49 | 109.4° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | O1 | O4 | 122.3° | 119.9° |
| C2 | C1 | O1 | H1 | 115.7° | 120.0° |
| C2 | C1 | O4 | H1 | 120.3° | 120.0° |
| C1 | C2 | C3 | N1 | 120.0° | 119.9° |
| C1 | C2 | C3 | H2 | 119.9° | 119.9° |
| C1 | C2 | N1 | H2 | 116.8° | 120.1° |
| C1 | C2 | C3 | C4 | 46.9° | 57.0° |
| C1 | C2 | C3 | O2 | 171.3° | 176.8° |
| C1 | C2 | C3 | H3 | 69.9° | 62.9° |
| C2 | C1 | O4 | C5 | 54.1° | 61.2° |
| C1 | C2 | N1 | C7 | 122.1° | 85.0° |
| C1 | C2 | N1 | H11 | 57.9° | 95.0° |
| C2 | C1 | O1 | H12 | 180.0° | 180.0° |
| O1 | C1 | O4 | H1 | 122.1° | 120.1° |
| O1 | C1 | C2 | C3 | 170.0° | 177.6° |
| O1 | C1 | C2 | N1 | 67.2° | 62.5° |
| O1 | C1 | C2 | H2 | 50.2° | 57.7° |
| O1 | C1 | O4 | C5 | 171.7° | 178.9° |
| O4 | C1 | C2 | C3 | 47.9° | 57.6° |
| O4 | C1 | C2 | N1 | 170.6° | 177.5° |
| O4 | C1 | C2 | H2 | 72.0° | 62.3° |
| C1 | O4 | C5 | C4 | 57.6° | 61.2° |
| C1 | O4 | C5 | C6 | 176.0° | 178.8° |
| C1 | O4 | C5 | H5 | 59.1° | 58.9° |
| O4 | C1 | O1 | H12 | 57.7° | 60.1° |
| H1 | C1 | C2 | C3 | 73.2° | 62.4° |
| H1 | C1 | C2 | N1 | 49.5° | 57.5° |
| H1 | C1 | C2 | H2 | 166.9° | 177.7° |
| H1 | C1 | O4 | C5 | 66.2° | 58.8° |
| H1 | C1 | O1 | H12 | 64.2° | 60.0° |
| C3 | C2 | N1 | H2 | 119.6° | 120.2° |
| C2 | C3 | C4 | O2 | 125.8° | 119.9° |
| C2 | C3 | C4 | H3 | 116.8° | 119.9° |
| C2 | C3 | O2 | H3 | 118.0° | 120.2° |
| C2 | C3 | C4 | C5 | 49.5° | 57.0° |
| C2 | C3 | C4 | O3 | 171.6° | 176.8° |
| C2 | C3 | C4 | H4 | 69.3° | 62.9° |
| C3 | C2 | N1 | C7 | 114.2° | 155.3° |
| C3 | C2 | N1 | H11 | 65.8° | 24.7° |
| C2 | C3 | O2 | C26 | 96.9° | 90.0° |
| N1 | C2 | C3 | C4 | 166.9° | 176.9° |
| N1 | C2 | C3 | O2 | 68.7° | 63.3° |
| N1 | C2 | C3 | H3 | 50.1° | 57.0° |
| C2 | N1 | C7 | C8 | 176.5° | 180.0° |
| C2 | N1 | C7 | H11 | 180.0° | 179.9° |
| C2 | N1 | C7 | O6 | 4.7° | 0.0° |
| H2 | C2 | C3 | C4 | 73.0° | 62.9° |
| H2 | C2 | C3 | O2 | 51.4° | 57.0° |
| H2 | C2 | C3 | H3 | 170.2° | 177.2° |
| H2 | C2 | N1 | C7 | 5.3° | 35.1° |
| H2 | C2 | N1 | H11 | 174.7° | 144.8° |
| C4 | C3 | O2 | H3 | 116.6° | 120.2° |
| C3 | C4 | C5 | O3 | 120.0° | 119.9° |
| C3 | C4 | C5 | H4 | 118.9° | 119.9° |
| C3 | C4 | O3 | H4 | 118.2° | 120.2° |
| C3 | C4 | C5 | C6 | 179.4° | 177.6° |
| C3 | C4 | C5 | O4 | 54.3° | 57.6° |
| C3 | C4 | C5 | H5 | 63.3° | 62.4° |
| C3 | C4 | O3 | C9 | 125.4° | 132.4° |
| C4 | C3 | O2 | C26 | 137.7° | 150.5° |
| O2 | C3 | C4 | C5 | 175.3° | 176.9° |
| O2 | C3 | C4 | O3 | 62.6° | 63.3° |
| O2 | C3 | C4 | H4 | 56.5° | 56.9° |
| C3 | O2 | C26 | C27 | 157.3° | 175.0° |
| C3 | O2 | C26 | O23 | 78.4° | 65.1° |
| C3 | O2 | C26 | H42 | 39.0° | 55.0° |
| H3 | C3 | C4 | C5 | 67.3° | 62.9° |
| H3 | C3 | C4 | O3 | 54.8° | 57.0° |
| H3 | C3 | C4 | H4 | 173.9° | 177.2° |
| H3 | C3 | O2 | C26 | 21.1° | 30.2° |
| C5 | C4 | O3 | H4 | 120.2° | 120.2° |
| C4 | C5 | C6 | O4 | 126.2° | 119.9° |
| C4 | C5 | C6 | H5 | 116.1° | 120.1° |
| C4 | C5 | O4 | H5 | 116.8° | 120.0° |
| C4 | C5 | C6 | O5 | 79.6° | 175.6° |
| C4 | C5 | C6 | H6 | 160.5° | 55.6° |
| C4 | C5 | C6 | H7 | 40.2° | 64.4° |
| C5 | C4 | O3 | C9 | 113.0° | 107.9° |
| O3 | C4 | C5 | C6 | 59.4° | 62.5° |
| O3 | C4 | C5 | O4 | 174.4° | 177.5° |
| O3 | C4 | C5 | H5 | 56.8° | 57.5° |
| C4 | O3 | C9 | C10 | 158.5° | 175.3° |
| C4 | O3 | C9 | O10 | 69.1° | 64.8° |
| C4 | O3 | C9 | H14 | 49.6° | 55.3° |
| H4 | C4 | C5 | C6 | 61.7° | 57.7° |
| H4 | C4 | C5 | O4 | 64.6° | 62.2° |
| H4 | C4 | C5 | H5 | 177.8° | 177.7° |
| H4 | C4 | O3 | C9 | 7.2° | 12.3° |
| C6 | C5 | O4 | H5 | 116.9° | 120.0° |
| C5 | C6 | O5 | H6 | 119.8° | 120.0° |
| C5 | C6 | O5 | H7 | 119.9° | 120.0° |
| C5 | C6 | H6 | H7 | 120.5° | 120.0° |
| C5 | C6 | O5 | H13 | 180.0° | 180.0° |
| O4 | C5 | C6 | O5 | 46.6° | 64.5° |
| O4 | C5 | C6 | H6 | 73.3° | 175.5° |
| O4 | C5 | C6 | H7 | 166.4° | 55.6° |
| H5 | C5 | C6 | O5 | 164.2° | 55.6° |
| H5 | C5 | C6 | H6 | 44.4° | 64.5° |
| H5 | C5 | C6 | H7 | 75.9° | 175.6° |
| O5 | C6 | H6 | H7 | 120.5° | 120.0° |
| H6 | C6 | O5 | H13 | 60.1° | 60.0° |
| H7 | C6 | O5 | H13 | 60.2° | 59.9° |
| C8 | C7 | N1 | O6 | 178.8° | 179.9° |
| C7 | C8 | H8 | H9 | 120.0° | 120.0° |
| C7 | C8 | H8 | H10 | 120.0° | 120.0° |
| C7 | C8 | H9 | H10 | 120.0° | 120.0° |
| C8 | C7 | N1 | H11 | 3.5° | 0.1° |
| N1 | C7 | C8 | H8 | 178.8° | 0.0° |
| N1 | C7 | C8 | H9 | 58.8° | 120.0° |
| N1 | C7 | C8 | H10 | 61.2° | 120.0° |
| O6 | C7 | C8 | H8 | 0.0° | 180.0° |
| O6 | C7 | C8 | H9 | 120.0° | 60.0° |
| O6 | C7 | C8 | H10 | 120.0° | 60.0° |
| O6 | C7 | N1 | H11 | 175.3° | 180.0° |
| H8 | C8 | H9 | H10 | 120.0° | 120.0° |
| C10 | C9 | O10 | H14 | 111.4° | 120.0° |
| C10 | C9 | O10 | O3 | 129.4° | 120.0° |
| C10 | C9 | H14 | O3 | 110.7° | 120.0° |
| C9 | C10 | C11 | O7 | 118.0° | 119.9° |
| C9 | C10 | C11 | H15 | 120.4° | 120.0° |
| C9 | C10 | O7 | H15 | 119.4° | 120.2° |
| C9 | C10 | C11 | C12 | 49.4° | 57.0° |
| C9 | C10 | C11 | O8 | 174.8° | 176.9° |
| C9 | C10 | C11 | H16 | 67.5° | 62.8° |
| C10 | C9 | O10 | C13 | 54.7° | 61.2° |
| C9 | C10 | O7 | H21 | 180.0° | 60.1° |
| O10 | C9 | H14 | O3 | 131.1° | 120.0° |
| O10 | C9 | C10 | C11 | 44.8° | 57.7° |
| O10 | C9 | C10 | O7 | 164.0° | 177.5° |
| O10 | C9 | C10 | H15 | 75.6° | 62.3° |
| C9 | O10 | C13 | C12 | 63.3° | 61.2° |
| C9 | O10 | C13 | C14 | 174.3° | 178.9° |
| C9 | O10 | C13 | H18 | 55.3° | 58.8° |
| H14 | C9 | C10 | C11 | 67.0° | 62.4° |
| H14 | C9 | C10 | O7 | 52.2° | 57.5° |
| H14 | C9 | C10 | H15 | 172.6° | 177.7° |
| H14 | C9 | O10 | C13 | 56.7° | 58.9° |
| C11 | C10 | O7 | H15 | 120.6° | 120.2° |
| C10 | C11 | C12 | O8 | 124.7° | 119.9° |
| C10 | C11 | C12 | H16 | 116.9° | 119.9° |
| C10 | C11 | O8 | H16 | 116.9° | 120.3° |
| C10 | C11 | C12 | C13 | 58.6° | 57.0° |
| C10 | C11 | C12 | O9 | 64.7° | 63.0° |
| C10 | C11 | C12 | H17 | 174.5° | 176.9° |
| C11 | C10 | O7 | H21 | 60.1° | 179.7° |
| C11 | C10 | C9 | O3 | 177.2° | 177.6° |
| C10 | C11 | O8 | C16 | 140.9° | 112.6° |
| O7 | C10 | C11 | C12 | 167.4° | 176.9° |
| O7 | C10 | C11 | O8 | 67.2° | 63.3° |
| O7 | C10 | C11 | H16 | 50.5° | 57.0° |
| O7 | C10 | C9 | O3 | 58.0° | 62.5° |
| H15 | C10 | C11 | C12 | 71.0° | 63.0° |
| H15 | C10 | C11 | O8 | 54.4° | 56.9° |
| H15 | C10 | C11 | H16 | 172.1° | 177.2° |
| H15 | C10 | O7 | H21 | 60.5° | 60.1° |
| H15 | C10 | C9 | O3 | 62.4° | 57.6° |
| C12 | C11 | O8 | H16 | 117.6° | 120.2° |
| C11 | C12 | C13 | O9 | 124.2° | 119.9° |
| C11 | C12 | C13 | H17 | 115.8° | 119.9° |
| C11 | C12 | O9 | H17 | 120.1° | 120.1° |
| C11 | C12 | C13 | C14 | 178.5° | 177.6° |
| C11 | C12 | C13 | O10 | 63.0° | 57.6° |
| C11 | C12 | C13 | H18 | 56.7° | 62.4° |
| C11 | C12 | O9 | H22 | 180.0° | 180.0° |
| C12 | C11 | O8 | C16 | 93.6° | 127.9° |
| O8 | C11 | C12 | C13 | 176.7° | 176.9° |
| O8 | C11 | C12 | O9 | 59.9° | 56.9° |
| O8 | C11 | C12 | H17 | 60.9° | 63.3° |
| C11 | O8 | C16 | C15 | 64.7° | 65.3° |
| C11 | O8 | C16 | C17 | 174.3° | 174.6° |
| C11 | O8 | C16 | O15 | 55.3° | 54.7° |
| H16 | C11 | C12 | C13 | 58.3° | 62.9° |
| H16 | C11 | C12 | O9 | 178.3° | 177.2° |
| H16 | C11 | C12 | H17 | 57.5° | 57.0° |
| H16 | C11 | O8 | C16 | 23.9° | 7.7° |
| C13 | C12 | O9 | H17 | 119.2° | 120.1° |
| C12 | C13 | C14 | O10 | 118.3° | 119.9° |
| C12 | C13 | C14 | H18 | 121.7° | 120.0° |
| C12 | C13 | O10 | H18 | 118.5° | 120.0° |
| C12 | C13 | C14 | O11 | 164.4° | 175.0° |
| C12 | C13 | C14 | H19 | 76.0° | 55.1° |
| C12 | C13 | C14 | H20 | 44.9° | 65.0° |
| C13 | C12 | O9 | H22 | 59.3° | 60.3° |
| O9 | C12 | C13 | C14 | 57.4° | 57.7° |
| O9 | C12 | C13 | O10 | 61.2° | 62.3° |
| O9 | C12 | C13 | H18 | 179.1° | 177.7° |
| H17 | C12 | C13 | C14 | 62.6° | 62.5° |
| H17 | C12 | C13 | O10 | 178.8° | 177.5° |
| H17 | C12 | C13 | H18 | 59.2° | 57.5° |
| H17 | C12 | O9 | H22 | 59.9° | 59.8° |
| C14 | C13 | O10 | H18 | 119.0° | 120.1° |
| C13 | C14 | O11 | H19 | 119.5° | 119.9° |
| C13 | C14 | O11 | H20 | 119.5° | 120.0° |
| C13 | C14 | H19 | H20 | 121.3° | 120.0° |
| C13 | C14 | O11 | H23 | 180.0° | 180.0° |
| O10 | C13 | C14 | O11 | 46.1° | 65.1° |
| O10 | C13 | C14 | H19 | 165.6° | 175.0° |
| O10 | C13 | C14 | H20 | 73.5° | 54.9° |
| C13 | O10 | C9 | O3 | 175.9° | 178.9° |
| H18 | C13 | C14 | O11 | 73.9° | 55.0° |
| H18 | C13 | C14 | H19 | 45.6° | 65.0° |
| H18 | C13 | C14 | H20 | 166.6° | 175.0° |
| O11 | C14 | H19 | H20 | 121.3° | 120.0° |
| H19 | C14 | O11 | H23 | 60.5° | 60.1° |
| H20 | C14 | O11 | H23 | 60.5° | 60.0° |
| C16 | C15 | O12 | O13 | 176.3° | 180.0° |
| C15 | C16 | C17 | O15 | 125.8° | 120.0° |
| C15 | C16 | C17 | O8 | 115.0° | 120.0° |
| C15 | C16 | O15 | O8 | 116.2° | 120.0° |
| C15 | C16 | C17 | C18 | 79.2° | 62.4° |
| C15 | C16 | C17 | H24 | 160.5° | 177.7° |
| C15 | C16 | C17 | H25 | 41.1° | 57.5° |
| C15 | C16 | O15 | C20 | 71.5° | 58.9° |
| C16 | C15 | O13 | H37 | 176.3° | 179.9° |
| O12 | C15 | C16 | C17 | 141.4° | 125.0° |
| O12 | C15 | C16 | O15 | 16.2° | 115.0° |
| O12 | C15 | O13 | H37 | 0.0° | 0.1° |
| O12 | C15 | C16 | O8 | 103.2° | 5.0° |
| O13 | C15 | C16 | C17 | 42.2° | 55.0° |
| O13 | C15 | C16 | O15 | 167.4° | 65.0° |
| O13 | C15 | C16 | O8 | 73.2° | 175.0° |
| C17 | C16 | O15 | O8 | 116.3° | 119.9° |
| C16 | C17 | C18 | H24 | 120.3° | 119.9° |
| C16 | C17 | C18 | H25 | 120.3° | 119.8° |
| C16 | C17 | H24 | H25 | 119.0° | 120.1° |
| C16 | C17 | C18 | C19 | 49.0° | 57.0° |
| C16 | C17 | C18 | O14 | 169.2° | 176.9° |
| C16 | C17 | C18 | H26 | 71.1° | 62.9° |
| C17 | C16 | O15 | C20 | 55.9° | 61.2° |
| O15 | C16 | C17 | C18 | 46.6° | 57.7° |
| O15 | C16 | C17 | H24 | 73.7° | 62.3° |
| O15 | C16 | C17 | H25 | 167.0° | 177.5° |
| C16 | O15 | C20 | C19 | 62.1° | 61.1° |
| C16 | O15 | C20 | C21 | 172.4° | 178.8° |
| C16 | O15 | C20 | H28 | 55.0° | 58.8° |
| C18 | C17 | H24 | H25 | 119.1° | 120.2° |
| C17 | C18 | C19 | O14 | 122.4° | 119.8° |
| C17 | C18 | C19 | H26 | 120.2° | 120.0° |
| C17 | C18 | O14 | H26 | 119.1° | 120.2° |
| C17 | C18 | C19 | C20 | 53.8° | 57.0° |
| C17 | C18 | C19 | N2 | 166.2° | 176.9° |
| C17 | C18 | C19 | H27 | 71.3° | 62.8° |
| C17 | C18 | O14 | H38 | 180.0° | 60.1° |
| C18 | C17 | C16 | O8 | 165.8° | 177.6° |
| H24 | C17 | C18 | C19 | 71.3° | 62.9° |
| H24 | C17 | C18 | O14 | 48.9° | 57.0° |
| H24 | C17 | C18 | H26 | 168.6° | 177.2° |
| H24 | C17 | C16 | O8 | 45.5° | 57.7° |
| H25 | C17 | C18 | C19 | 169.3° | 176.9° |
| H25 | C17 | C18 | O14 | 70.4° | 63.3° |
| H25 | C17 | C18 | H26 | 49.3° | 56.9° |
| H25 | C17 | C16 | O8 | 73.9° | 62.5° |
| C19 | C18 | O14 | H26 | 116.6° | 120.2° |
| C18 | C19 | C20 | N2 | 110.1° | 119.9° |
| C18 | C19 | C20 | H27 | 124.9° | 119.9° |
| C18 | C19 | N2 | H27 | 121.8° | 120.2° |
| C18 | C19 | C20 | C21 | 179.8° | 177.6° |
| C18 | C19 | C20 | O15 | 57.2° | 57.6° |
| C18 | C19 | C20 | H28 | 60.7° | 62.4° |
| C18 | C19 | N2 | C24 | 122.3° | 85.0° |
| C18 | C19 | N2 | H36 | 57.7° | 95.0° |
| C19 | C18 | O14 | H38 | 55.6° | 179.6° |
| O14 | C18 | C19 | C20 | 176.2° | 176.8° |
| O14 | C18 | C19 | N2 | 71.4° | 63.3° |
| O14 | C18 | C19 | H27 | 51.1° | 57.0° |
| H26 | C18 | C19 | C20 | 66.4° | 62.9° |
| H26 | C18 | C19 | N2 | 46.0° | 57.0° |
| H26 | C18 | C19 | H27 | 168.5° | 177.2° |
| H26 | C18 | O14 | H38 | 61.0° | 60.2° |
| C20 | C19 | N2 | H27 | 124.4° | 120.1° |
| C19 | C20 | C21 | O15 | 122.6° | 119.9° |
| C19 | C20 | C21 | H28 | 119.2° | 120.1° |
| C19 | C20 | O15 | H28 | 117.1° | 120.0° |
| C19 | C20 | C21 | C22 | 174.7° | 175.0° |
| C19 | C20 | C21 | O16 | 50.8° | 54.9° |
| C19 | C20 | C21 | H29 | 70.0° | 65.1° |
| C20 | C19 | N2 | C24 | 123.9° | 155.3° |
| C20 | C19 | N2 | H36 | 56.1° | 24.7° |
| N2 | C19 | C20 | C21 | 69.7° | 62.5° |
| N2 | C19 | C20 | O15 | 167.3° | 177.5° |
| N2 | C19 | C20 | H28 | 49.5° | 57.5° |
| C19 | N2 | C24 | C25 | 1.7° | 180.0° |
| C19 | N2 | C24 | H36 | 180.0° | 180.0° |
| C19 | N2 | C24 | O19 | 179.5° | 0.0° |
| H27 | C19 | C20 | C21 | 55.3° | 57.7° |
| H27 | C19 | C20 | O15 | 67.8° | 62.3° |
| H27 | C19 | C20 | H28 | 174.4° | 177.7° |
| H27 | C19 | N2 | C24 | 0.5° | 35.2° |
| H27 | C19 | N2 | H36 | 179.5° | 144.8° |
| C21 | C20 | O15 | H28 | 117.4° | 120.0° |
| C20 | C21 | C22 | O16 | 126.5° | 120.0° |
| C20 | C21 | C22 | H29 | 115.2° | 120.0° |
| C20 | C21 | O16 | H29 | 120.3° | 120.0° |
| C20 | C21 | C22 | C23 | 171.3° | 179.1° |
| C20 | C21 | C22 | O17 | 47.7° | 59.1° |
| C20 | C21 | C22 | H30 | 69.3° | 60.9° |
| C20 | C21 | O16 | H39 | 180.0° | 60.1° |
| O15 | C20 | C21 | C22 | 52.1° | 55.0° |
| O15 | C20 | C21 | O16 | 71.7° | 65.0° |
| O15 | C20 | C21 | H29 | 167.4° | 175.0° |
| C20 | O15 | C16 | O8 | 172.3° | 178.9° |
| H28 | C20 | C21 | C22 | 66.1° | 64.9° |
| H28 | C20 | C21 | O16 | 170.1° | 175.0° |
| H28 | C20 | C21 | H29 | 49.2° | 55.0° |
| C22 | C21 | O16 | H29 | 117.7° | 120.0° |
| C21 | C22 | C23 | O17 | 120.5° | 120.1° |
| C21 | C22 | C23 | H30 | 119.4° | 120.0° |
| C21 | C22 | O17 | H30 | 116.4° | 120.0° |
| C21 | C22 | C23 | O18 | 175.4° | 175.0° |
| C21 | C22 | C23 | H31 | 55.6° | 54.9° |
| C21 | C22 | C23 | H32 | 64.9° | 65.1° |
| C22 | C21 | O16 | H39 | 57.9° | 60.0° |
| C21 | C22 | O17 | H40 | 73.1° | 60.0° |
| O16 | C21 | C22 | C23 | 62.1° | 60.8° |
| O16 | C21 | C22 | O17 | 174.2° | 179.1° |
| O16 | C21 | C22 | H30 | 57.2° | 59.1° |
| H29 | C21 | C22 | C23 | 56.1° | 59.2° |
| H29 | C21 | C22 | O17 | 67.5° | 60.9° |
| H29 | C21 | C22 | H30 | 175.4° | 179.1° |
| H29 | C21 | O16 | H39 | 59.7° | 179.9° |
| C23 | C22 | O17 | H30 | 119.4° | 119.9° |
| C22 | C23 | O18 | H31 | 119.7° | 120.1° |
| C22 | C23 | O18 | H32 | 119.7° | 119.9° |
| C22 | C23 | H31 | H32 | 120.7° | 120.0° |
| C23 | C22 | O17 | H40 | 162.7° | 60.0° |
| C22 | C23 | O18 | H41 | 180.0° | 180.0° |
| O17 | C22 | C23 | O18 | 64.1° | 64.9° |
| O17 | C22 | C23 | H31 | 176.2° | 175.0° |
| O17 | C22 | C23 | H32 | 55.7° | 55.0° |
| H30 | C22 | C23 | O18 | 56.0° | 55.1° |
| H30 | C22 | C23 | H31 | 63.8° | 65.0° |
| H30 | C22 | C23 | H32 | 175.7° | 175.0° |
| H30 | C22 | O17 | H40 | 43.3° | 180.0° |
| O18 | C23 | H31 | H32 | 120.8° | 120.0° |
| H31 | C23 | O18 | H41 | 60.3° | 59.9° |
| H32 | C23 | O18 | H41 | 60.3° | 60.0° |
| C25 | C24 | N2 | O19 | 178.9° | 180.0° |
| C24 | C25 | H33 | H34 | 120.0° | 119.9° |
| C24 | C25 | H33 | H35 | 120.0° | 120.0° |
| C24 | C25 | H34 | H35 | 120.0° | 120.0° |
| C25 | C24 | N2 | H36 | 178.4° | 0.0° |
| N2 | C24 | C25 | H33 | 178.9° | 60.0° |
| N2 | C24 | C25 | H34 | 58.9° | 180.0° |
| N2 | C24 | C25 | H35 | 61.1° | 60.0° |
| O19 | C24 | C25 | H33 | 0.0° | 120.0° |
| O19 | C24 | C25 | H34 | 120.0° | 0.0° |
| O19 | C24 | C25 | H35 | 120.0° | 120.0° |
| O19 | C24 | N2 | H36 | 0.5° | 180.0° |
| H33 | C25 | H34 | H35 | 120.0° | 120.1° |
| C27 | C26 | O23 | H42 | 114.5° | 120.0° |
| C27 | C26 | O23 | O2 | 127.5° | 119.9° |
| C27 | C26 | H42 | O2 | 123.8° | 120.0° |
| C26 | C27 | C28 | O20 | 118.3° | 119.9° |
| C26 | C27 | C28 | H43 | 120.7° | 119.9° |
| C26 | C27 | O20 | H43 | 121.4° | 120.1° |
| C26 | C27 | C28 | C29 | 57.3° | 57.0° |
| C26 | C27 | C28 | O21 | 175.1° | 176.8° |
| C26 | C27 | C28 | H44 | 63.4° | 62.9° |
| C27 | C26 | O23 | C30 | 57.8° | 61.2° |
| C26 | C27 | O20 | H50 | 180.0° | 60.0° |
| O23 | C26 | H42 | O2 | 119.6° | 120.0° |
| O23 | C26 | C27 | C28 | 55.5° | 57.6° |
| O23 | C26 | C27 | O20 | 172.6° | 177.5° |
| O23 | C26 | C27 | H43 | 65.1° | 62.3° |
| C26 | O23 | C30 | C29 | 58.7° | 61.2° |
| C26 | O23 | C30 | C31 | 179.1° | 178.9° |
| C26 | O23 | C30 | H46 | 60.2° | 58.8° |
| H42 | C26 | C27 | C28 | 170.8° | 177.6° |
| H42 | C26 | C27 | O20 | 72.1° | 62.5° |
| H42 | C26 | C27 | H43 | 50.3° | 57.7° |
| H42 | C26 | O23 | C30 | 172.3° | 178.8° |
| C28 | C27 | O20 | H43 | 119.8° | 120.2° |
| C27 | C28 | C29 | O21 | 118.2° | 119.8° |
| C27 | C28 | C29 | H44 | 120.6° | 119.9° |
| C27 | C28 | O21 | H44 | 120.4° | 120.2° |
| C27 | C28 | C29 | C30 | 56.6° | 57.0° |
| C27 | C28 | C29 | O22 | 58.9° | 62.9° |
| C27 | C28 | C29 | H45 | 178.0° | 176.9° |
| C28 | C27 | O20 | H50 | 61.2° | 179.7° |
| C27 | C28 | O21 | H51 | 180.0° | 60.0° |
| C28 | C27 | C26 | O2 | 69.6° | 62.4° |
| O20 | C27 | C28 | C29 | 175.6° | 176.9° |
| O20 | C27 | C28 | O21 | 66.6° | 63.3° |
| O20 | C27 | C28 | H44 | 54.8° | 57.0° |
| O20 | C27 | C26 | O2 | 47.5° | 57.6° |
| H43 | C27 | C28 | C29 | 63.4° | 62.9° |
| H43 | C27 | C28 | O21 | 54.4° | 56.9° |
| H43 | C27 | C28 | H44 | 175.9° | 177.2° |
| H43 | C27 | O20 | H50 | 58.6° | 60.1° |
| H43 | C27 | C26 | O2 | 169.9° | 177.7° |
| C29 | C28 | O21 | H44 | 120.3° | 120.2° |
| C28 | C29 | C30 | O22 | 115.5° | 119.9° |
| C28 | C29 | C30 | H45 | 121.5° | 119.9° |
| C28 | C29 | O22 | H45 | 122.0° | 120.1° |
| C28 | C29 | C30 | C31 | 178.7° | 177.6° |
| C28 | C29 | C30 | O23 | 55.4° | 57.6° |
| C28 | C29 | C30 | H46 | 64.0° | 62.3° |
| C29 | C28 | O21 | H51 | 60.7° | 179.5° |
| C28 | C29 | O22 | H52 | 180.0° | 180.0° |
| O21 | C28 | C29 | C30 | 174.7° | 176.9° |
| O21 | C28 | C29 | O22 | 59.2° | 56.9° |
| O21 | C28 | C29 | H45 | 63.8° | 63.2° |
| H44 | C28 | C29 | C30 | 64.0° | 62.9° |
| H44 | C28 | C29 | O22 | 179.5° | 177.2° |
| H44 | C28 | C29 | H45 | 57.4° | 57.1° |
| H44 | C28 | O21 | H51 | 59.6° | 60.2° |
| C30 | C29 | O22 | H45 | 121.9° | 120.2° |
| C29 | C30 | C31 | O23 | 122.8° | 119.9° |
| C29 | C30 | C31 | H46 | 117.5° | 120.1° |
| C29 | C30 | O23 | H46 | 118.9° | 120.0° |
| C29 | C30 | C31 | H47 | 180.0° | 60.1° |
| C29 | C30 | C31 | H48 | 60.0° | 180.0° |
| C29 | C30 | C31 | H49 | 60.0° | 60.0° |
| C30 | C29 | O22 | H52 | 63.9° | 60.3° |
| O22 | C29 | C30 | C31 | 63.2° | 57.7° |
| O22 | C29 | C30 | O23 | 60.1° | 62.3° |
| O22 | C29 | C30 | H46 | 179.5° | 177.8° |
| H45 | C29 | C30 | C31 | 59.8° | 62.5° |
| H45 | C29 | C30 | O23 | 176.9° | 177.5° |
| H45 | C29 | C30 | H46 | 57.5° | 57.6° |
| H45 | C29 | O22 | H52 | 58.0° | 59.9° |
| C31 | C30 | O23 | H46 | 119.0° | 120.1° |
| C30 | C31 | H47 | H48 | 120.0° | 120.0° |
| C30 | C31 | H47 | H49 | 120.0° | 120.1° |
| C30 | C31 | H48 | H49 | 120.0° | 120.1° |
| O23 | C30 | C31 | H47 | 57.2° | 179.9° |
| O23 | C30 | C31 | H48 | 62.9° | 60.1° |
| O23 | C30 | C31 | H49 | 177.2° | 59.9° |
| C30 | O23 | C26 | O2 | 69.7° | 58.8° |
| H46 | C30 | C31 | H47 | 62.5° | 60.0° |
| H46 | C30 | C31 | H48 | 177.5° | 59.9° |
| H46 | C30 | C31 | H49 | 57.5° | 180.0° |
| H47 | C31 | H48 | H49 | 120.0° | 119.9° |
