PRD_000557
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.53Å | 1.51Å | |
| C1 | C5 | sing | 1.51Å | 1.54Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C2 | C3 | sing | 1.53Å | 1.53Å | |
| C2 | C4 | sing | 1.53Å | 1.52Å | |
| C2 | H3 | sing | 1.09Å | 1.10Å | |
| C3 | H4 | sing | 1.09Å | 1.10Å | |
| C3 | H5 | sing | 1.09Å | 1.10Å | |
| C3 | H6 | sing | 1.09Å | 1.10Å | |
| C4 | H7 | sing | 1.09Å | 1.10Å | |
| C4 | H8 | sing | 1.09Å | 1.10Å | |
| C4 | H9 | sing | 1.09Å | 1.10Å | |
| C5 | O1 | doub | 1.21Å | 1.24Å | |
| N1 | C6 | sing | 1.46Å | 1.47Å | |
| N1 | H10 | sing | 0.97Å | 1.00Å | |
| C6 | C7 | sing | 1.51Å | 1.54Å | |
| C6 | C8 | sing | 1.53Å | 1.56Å | |
| C6 | H11 | sing | 1.09Å | 1.10Å | |
| C7 | O2 | doub | 1.21Å | 1.22Å | |
| C8 | C9 | sing | 1.53Å | 1.45Å | |
| C8 | C10 | sing | 1.53Å | 1.50Å | |
| C8 | H12 | sing | 1.09Å | 1.10Å | |
| C9 | H13 | sing | 1.09Å | 1.10Å | |
| C9 | H14 | sing | 1.09Å | 1.10Å | |
| C9 | H15 | sing | 1.09Å | 1.10Å | |
| C10 | H16 | sing | 1.09Å | 1.10Å | |
| C10 | H17 | sing | 1.09Å | 1.10Å | |
| C10 | H18 | sing | 1.09Å | 1.10Å | |
| N2 | C11 | sing | 1.46Å | 1.46Å | |
| N2 | H19 | sing | 0.97Å | 1.00Å | |
| C11 | C12 | sing | 1.51Å | 1.52Å | |
| C11 | C13 | sing | 1.53Å | 1.58Å | |
| C11 | H20 | sing | 1.09Å | 1.10Å | |
| C12 | O3 | doub | 1.21Å | 1.24Å | |
| C13 | C14 | sing | 1.53Å | 1.47Å | |
| C13 | C15 | sing | 1.53Å | 1.56Å | |
| C13 | H21 | sing | 1.09Å | 1.10Å | |
| C14 | H22 | sing | 1.09Å | 1.10Å | |
| C14 | H23 | sing | 1.09Å | 1.10Å | |
| C14 | H24 | sing | 1.09Å | 1.10Å | |
| C15 | H25 | sing | 1.09Å | 1.10Å | |
| C15 | H26 | sing | 1.09Å | 1.10Å | |
| C15 | H27 | sing | 1.09Å | 1.10Å | |
| N3 | C16 | sing | 1.46Å | 1.48Å | |
| N3 | H28 | sing | 0.97Å | 1.00Å | |
| C16 | C17 | sing | 1.53Å | 1.55Å | |
| C16 | C21 | sing | 1.53Å | 1.53Å | |
| C16 | H29 | sing | 1.09Å | 1.10Å | |
| C17 | C18 | sing | 1.53Å | 1.55Å | |
| C17 | H30 | sing | 1.09Å | 1.10Å | |
| C17 | H31 | sing | 1.09Å | 1.10Å | |
| C18 | C19 | sing | 1.53Å | 1.58Å | |
| C18 | C20 | sing | 1.53Å | 1.57Å | |
| C18 | H32 | sing | 1.09Å | 1.10Å | |
| C19 | H33 | sing | 1.09Å | 1.10Å | |
| C19 | H34 | sing | 1.09Å | 1.10Å | |
| C19 | H35 | sing | 1.09Å | 1.10Å | |
| C20 | H36 | sing | 1.09Å | 1.10Å | |
| C20 | H37 | sing | 1.09Å | 1.10Å | |
| C20 | H38 | sing | 1.09Å | 1.10Å | |
| C21 | O4 | sing | 1.43Å | 1.43Å | |
| C21 | C22 | sing | 1.53Å | 1.54Å | |
| C21 | H39 | sing | 1.09Å | 1.10Å | |
| O4 | H40 | sing | 0.97Å | 0.95Å | |
| C22 | C23 | sing | 1.51Å | 1.52Å | |
| C22 | H41 | sing | 1.09Å | 1.10Å | |
| C22 | H42 | sing | 1.09Å | 1.10Å | |
| C23 | O5 | doub | 1.21Å | 1.37Å | |
| N4 | C24 | sing | 1.47Å | 1.47Å | |
| N4 | H43 | sing | 0.97Å | 1.00Å | |
| C24 | C25 | sing | 1.51Å | 1.56Å | |
| C24 | C26 | sing | 1.53Å | 1.57Å | |
| C24 | H44 | sing | 1.09Å | 1.10Å | |
| C25 | O6 | doub | 1.21Å | 1.24Å | |
| C26 | H45 | sing | 1.09Å | 1.10Å | |
| C26 | H46 | sing | 1.09Å | 1.10Å | |
| C26 | H47 | sing | 1.09Å | 1.10Å | |
| N5 | C27 | sing | 1.47Å | 1.47Å | |
| N5 | H48 | sing | 0.97Å | 1.00Å | |
| C27 | C28 | sing | 1.53Å | 1.57Å | |
| C27 | C32 | sing | 1.53Å | 1.55Å | |
| C27 | H49 | sing | 1.09Å | 1.10Å | |
| C28 | C29 | sing | 1.53Å | 1.53Å | |
| C28 | H50 | sing | 1.09Å | 1.10Å | |
| C28 | H51 | sing | 1.09Å | 1.10Å | |
| C29 | C30 | sing | 1.53Å | 1.50Å | |
| C29 | C31 | sing | 1.53Å | 1.53Å | |
| C29 | H52 | sing | 1.09Å | 1.10Å | |
| C30 | H53 | sing | 1.09Å | 1.10Å | |
| C30 | H54 | sing | 1.09Å | 1.10Å | |
| C30 | H55 | sing | 1.09Å | 1.10Å | |
| C31 | H56 | sing | 1.09Å | 1.10Å | |
| C31 | H57 | sing | 1.09Å | 1.10Å | |
| C31 | H58 | sing | 1.09Å | 1.10Å | |
| C32 | O7 | sing | 1.43Å | 1.45Å | |
| C32 | C33 | sing | 1.53Å | 1.54Å | |
| C32 | H59 | sing | 1.09Å | 1.10Å | |
| O7 | H60 | sing | 0.97Å | 0.95Å | |
| C33 | C34 | sing | 1.51Å | 1.55Å | |
| C33 | H61 | sing | 1.09Å | 1.10Å | |
| C33 | H62 | sing | 1.09Å | 1.10Å | |
| C34 | O8 | doub | 1.21Å | 1.22Å | |
| C34 | O9 | sing | 1.34Å | 1.26Å | |
| O9 | H63 | sing | 0.97Å | 0.95Å | |
| C5 | N1 | sing | 1.35Å | 1.35Å | |
| C12 | N3 | sing | 1.35Å | 1.32Å | |
| C23 | N4 | sing | 1.35Å | 1.33Å | |
| C25 | N5 | sing | 1.35Å | 1.34Å | |
| C7 | N2 | sing | 1.35Å | 1.37Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C5 | 110.5° | 109.5° |
| C2 | C1 | H1 | 109.2° | 109.5° |
| C2 | C1 | H2 | 109.2° | 109.5° |
| C1 | C2 | C3 | 111.3° | 109.5° |
| C1 | C2 | C4 | 109.6° | 109.5° |
| C1 | C2 | H3 | 107.9° | 109.4° |
| C5 | C1 | H1 | 109.2° | 109.4° |
| C5 | C1 | H2 | 109.2° | 109.5° |
| C1 | C5 | O1 | 120.4° | 120.0° |
| C1 | C5 | N1 | 113.5° | 120.0° |
| H1 | C1 | H2 | 109.5° | 109.4° |
| C3 | C2 | C4 | 112.3° | 109.5° |
| C3 | C2 | H3 | 107.6° | 109.5° |
| C2 | C3 | H4 | 109.5° | 109.4° |
| C2 | C3 | H5 | 109.4° | 109.5° |
| C2 | C3 | H6 | 109.5° | 109.5° |
| C4 | C2 | H3 | 107.8° | 109.5° |
| C2 | C4 | H7 | 109.5° | 109.5° |
| C2 | C4 | H8 | 109.5° | 109.5° |
| C2 | C4 | H9 | 109.4° | 109.4° |
| H4 | C3 | H5 | 109.5° | 109.5° |
| H4 | C3 | H6 | 109.5° | 109.4° |
| H5 | C3 | H6 | 109.5° | 109.5° |
| H7 | C4 | H8 | 109.5° | 109.5° |
| H7 | C4 | H9 | 109.5° | 109.4° |
| H8 | C4 | H9 | 109.5° | 109.5° |
| O1 | C5 | N1 | 120.7° | 120.0° |
| C6 | N1 | H10 | 118.8° | 120.0° |
| N1 | C6 | C7 | 107.7° | 109.5° |
| N1 | C6 | C8 | 108.1° | 109.5° |
| N1 | C6 | H11 | 111.2° | 109.5° |
| C6 | N1 | C5 | 122.3° | 120.0° |
| H10 | N1 | C5 | 118.8° | 120.0° |
| C7 | C6 | C8 | 109.7° | 109.5° |
| C7 | C6 | H11 | 110.2° | 109.4° |
| C6 | C7 | O2 | 117.2° | 120.0° |
| C6 | C7 | N2 | 119.7° | 120.0° |
| C8 | C6 | H11 | 109.9° | 109.5° |
| C6 | C8 | C9 | 110.1° | 109.5° |
| C6 | C8 | C10 | 112.9° | 109.5° |
| C6 | C8 | H12 | 107.6° | 109.5° |
| O2 | C7 | N2 | 123.2° | 120.0° |
| C9 | C8 | C10 | 108.8° | 109.5° |
| C9 | C8 | H12 | 109.0° | 109.4° |
| C8 | C9 | H13 | 109.5° | 109.4° |
| C8 | C9 | H14 | 109.5° | 109.5° |
| C8 | C9 | H15 | 109.4° | 109.4° |
| C10 | C8 | H12 | 108.5° | 109.5° |
| C8 | C10 | H16 | 109.5° | 109.5° |
| C8 | C10 | H17 | 109.4° | 109.4° |
| C8 | C10 | H18 | 109.5° | 109.5° |
| H13 | C9 | H14 | 109.4° | 109.5° |
| H13 | C9 | H15 | 109.5° | 109.5° |
| H14 | C9 | H15 | 109.5° | 109.5° |
| H16 | C10 | H17 | 109.5° | 109.5° |
| H16 | C10 | H18 | 109.5° | 109.5° |
| H17 | C10 | H18 | 109.5° | 109.4° |
| C11 | N2 | H19 | 119.0° | 120.0° |
| N2 | C11 | C12 | 108.7° | 109.5° |
| N2 | C11 | C13 | 112.8° | 109.4° |
| N2 | C11 | H20 | 109.5° | 109.5° |
| C11 | N2 | C7 | 121.9° | 120.0° |
| H19 | N2 | C7 | 119.1° | 120.0° |
| C12 | C11 | C13 | 109.3° | 109.4° |
| C12 | C11 | H20 | 108.6° | 109.5° |
| C11 | C12 | O3 | 120.8° | 120.0° |
| C11 | C12 | N3 | 115.2° | 120.0° |
| C13 | C11 | H20 | 107.9° | 109.5° |
| C11 | C13 | C14 | 109.5° | 109.5° |
| C11 | C13 | C15 | 110.4° | 109.5° |
| C11 | C13 | H21 | 107.7° | 109.5° |
| O3 | C12 | N3 | 124.0° | 120.0° |
| C14 | C13 | C15 | 112.2° | 109.5° |
| C14 | C13 | H21 | 109.0° | 109.4° |
| C13 | C14 | H22 | 109.5° | 109.5° |
| C13 | C14 | H23 | 109.5° | 109.5° |
| C13 | C14 | H24 | 109.4° | 109.5° |
| C15 | C13 | H21 | 107.9° | 109.5° |
| C13 | C15 | H25 | 109.5° | 109.5° |
| C13 | C15 | H26 | 109.5° | 109.4° |
| C13 | C15 | H27 | 109.5° | 109.5° |
| H22 | C14 | H23 | 109.4° | 109.5° |
| H22 | C14 | H24 | 109.5° | 109.5° |
| H23 | C14 | H24 | 109.5° | 109.4° |
| H25 | C15 | H26 | 109.5° | 109.5° |
| H25 | C15 | H27 | 109.5° | 109.4° |
| H26 | C15 | H27 | 109.4° | 109.5° |
| C16 | N3 | H28 | 119.2° | 120.0° |
| N3 | C16 | C17 | 108.9° | 109.5° |
| N3 | C16 | C21 | 108.7° | 109.5° |
| N3 | C16 | H29 | 109.8° | 109.4° |
| C16 | N3 | C12 | 121.7° | 120.0° |
| H28 | N3 | C12 | 119.1° | 120.0° |
| C17 | C16 | C21 | 111.3° | 109.5° |
| C17 | C16 | H29 | 109.0° | 109.5° |
| C16 | C17 | C18 | 118.0° | 109.4° |
| C16 | C17 | H30 | 107.3° | 109.5° |
| C16 | C17 | H31 | 107.3° | 109.5° |
| C21 | C16 | H29 | 109.2° | 109.5° |
| C16 | C21 | O4 | 110.9° | 109.5° |
| C16 | C21 | C22 | 114.2° | 109.5° |
| C16 | C21 | H39 | 110.1° | 109.5° |
| C18 | C17 | H30 | 107.3° | 109.5° |
| C18 | C17 | H31 | 107.3° | 109.5° |
| C17 | C18 | C19 | 105.4° | 109.5° |
| C17 | C18 | C20 | 108.8° | 109.5° |
| C17 | C18 | H32 | 109.0° | 109.5° |
| H30 | C17 | H31 | 109.5° | 109.5° |
| C19 | C18 | C20 | 116.3° | 109.5° |
| C19 | C18 | H32 | 108.5° | 109.5° |
| C18 | C19 | H33 | 109.5° | 109.4° |
| C18 | C19 | H34 | 109.5° | 109.5° |
| C18 | C19 | H35 | 109.5° | 109.5° |
| C20 | C18 | H32 | 108.7° | 109.5° |
| C18 | C20 | H36 | 109.5° | 109.5° |
| C18 | C20 | H37 | 109.5° | 109.5° |
| C18 | C20 | H38 | 109.4° | 109.5° |
| H33 | C19 | H34 | 109.5° | 109.5° |
| H33 | C19 | H35 | 109.5° | 109.5° |
| H34 | C19 | H35 | 109.4° | 109.5° |
| H36 | C20 | H37 | 109.4° | 109.5° |
| H36 | C20 | H38 | 109.5° | 109.5° |
| H37 | C20 | H38 | 109.5° | 109.5° |
| O4 | C21 | C22 | 99.8° | 109.4° |
| O4 | C21 | H39 | 111.6° | 109.5° |
| C21 | O4 | H40 | 109.5° | 114.0° |
| C22 | C21 | H39 | 109.9° | 109.4° |
| C21 | C22 | C23 | 113.1° | 109.5° |
| C21 | C22 | H41 | 108.5° | 109.4° |
| C21 | C22 | H42 | 108.6° | 109.5° |
| C23 | C22 | H41 | 108.6° | 109.5° |
| C23 | C22 | H42 | 108.5° | 109.5° |
| C22 | C23 | O5 | 115.1° | 120.1° |
| C22 | C23 | N4 | 128.8° | 120.0° |
| H41 | C22 | H42 | 109.5° | 109.5° |
| O5 | C23 | N4 | 112.8° | 120.0° |
| C24 | N4 | H43 | 113.6° | 120.0° |
| N4 | C24 | C25 | 109.8° | 109.5° |
| N4 | C24 | C26 | 111.2° | 109.5° |
| N4 | C24 | H44 | 109.3° | 109.5° |
| C24 | N4 | C23 | 132.9° | 120.0° |
| H43 | N4 | C23 | 113.6° | 120.1° |
| C25 | C24 | C26 | 110.2° | 109.5° |
| C25 | C24 | H44 | 108.2° | 109.4° |
| C24 | C25 | O6 | 121.5° | 120.0° |
| C24 | C25 | N5 | 105.8° | 120.0° |
| C26 | C24 | H44 | 108.2° | 109.5° |
| C24 | C26 | H45 | 109.5° | 109.5° |
| C24 | C26 | H46 | 109.5° | 109.5° |
| C24 | C26 | H47 | 109.5° | 109.5° |
| O6 | C25 | N5 | 127.1° | 120.0° |
| H45 | C26 | H46 | 109.5° | 109.5° |
| H45 | C26 | H47 | 109.5° | 109.4° |
| H46 | C26 | H47 | 109.4° | 109.4° |
| C27 | N5 | H48 | 118.5° | 120.0° |
| N5 | C27 | C28 | 110.8° | 109.4° |
| N5 | C27 | C32 | 107.9° | 109.5° |
| N5 | C27 | H49 | 110.1° | 109.5° |
| C27 | N5 | C25 | 123.0° | 120.0° |
| H48 | N5 | C25 | 118.5° | 120.0° |
| C28 | C27 | C32 | 110.1° | 109.5° |
| C28 | C27 | H49 | 108.8° | 109.5° |
| C27 | C28 | C29 | 114.2° | 109.5° |
| C27 | C28 | H50 | 108.3° | 109.5° |
| C27 | C28 | H51 | 108.3° | 109.5° |
| C32 | C27 | H49 | 109.1° | 109.5° |
| C27 | C32 | O7 | 111.2° | 109.4° |
| C27 | C32 | C33 | 112.3° | 109.5° |
| C27 | C32 | H59 | 107.6° | 109.5° |
| C29 | C28 | H50 | 108.3° | 109.5° |
| C29 | C28 | H51 | 108.3° | 109.4° |
| C28 | C29 | C30 | 107.9° | 109.5° |
| C28 | C29 | C31 | 109.0° | 109.5° |
| C28 | C29 | H52 | 109.8° | 109.4° |
| H50 | C28 | H51 | 109.5° | 109.5° |
| C30 | C29 | C31 | 110.1° | 109.5° |
| C30 | C29 | H52 | 110.2° | 109.5° |
| C29 | C30 | H53 | 109.5° | 109.4° |
| C29 | C30 | H54 | 109.4° | 109.5° |
| C29 | C30 | H55 | 109.5° | 109.5° |
| C31 | C29 | H52 | 109.8° | 109.5° |
| C29 | C31 | H56 | 109.5° | 109.5° |
| C29 | C31 | H57 | 109.5° | 109.5° |
| C29 | C31 | H58 | 109.5° | 109.5° |
| H53 | C30 | H54 | 109.4° | 109.5° |
| H53 | C30 | H55 | 109.5° | 109.5° |
| H54 | C30 | H55 | 109.5° | 109.4° |
| H56 | C31 | H57 | 109.4° | 109.5° |
| H56 | C31 | H58 | 109.5° | 109.5° |
| H57 | C31 | H58 | 109.5° | 109.5° |
| O7 | C32 | C33 | 109.2° | 109.5° |
| O7 | C32 | H59 | 108.7° | 109.4° |
| C32 | O7 | H60 | 109.5° | 114.0° |
| C33 | C32 | H59 | 107.7° | 109.5° |
| C32 | C33 | C34 | 111.2° | 109.5° |
| C32 | C33 | H61 | 109.0° | 109.5° |
| C32 | C33 | H62 | 109.0° | 109.5° |
| C34 | C33 | H61 | 109.0° | 109.4° |
| C34 | C33 | H62 | 109.0° | 109.4° |
| C33 | C34 | O8 | 121.5° | 120.0° |
| C33 | C34 | O9 | 116.2° | 120.0° |
| H61 | C33 | H62 | 109.5° | 109.5° |
| O8 | C34 | O9 | 120.9° | 120.0° |
| C34 | O9 | H63 | 109.5° | 117.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C5 | H1 | 120.1° | 120.0° |
| C2 | C1 | C5 | H2 | 120.1° | 120.1° |
| C2 | C1 | H1 | H2 | 119.5° | 120.0° |
| C1 | C2 | C3 | C4 | 123.3° | 120.0° |
| C1 | C2 | C3 | H3 | 118.1° | 119.9° |
| C1 | C2 | C4 | H3 | 117.2° | 120.0° |
| C1 | C2 | C3 | H4 | 180.0° | 60.0° |
| C1 | C2 | C3 | H5 | 60.0° | 180.0° |
| C1 | C2 | C3 | H6 | 60.0° | 60.0° |
| C1 | C2 | C4 | H7 | 180.0° | 60.0° |
| C1 | C2 | C4 | H8 | 60.0° | 180.0° |
| C1 | C2 | C4 | H9 | 60.0° | 60.0° |
| C2 | C1 | C5 | O1 | 98.3° | 0.0° |
| C2 | C1 | C5 | N1 | 107.4° | 180.0° |
| C5 | C1 | H1 | H2 | 119.5° | 120.0° |
| C5 | C1 | C2 | C3 | 163.9° | 65.0° |
| C5 | C1 | C2 | C4 | 39.0° | 175.0° |
| C5 | C1 | C2 | H3 | 78.1° | 55.0° |
| C1 | C5 | O1 | N1 | 152.4° | 180.0° |
| C1 | C5 | N1 | C6 | 162.0° | 180.0° |
| C1 | C5 | N1 | H10 | 17.9° | 0.0° |
| H1 | C1 | C2 | C3 | 43.8° | 175.0° |
| H1 | C1 | C2 | C4 | 81.1° | 55.0° |
| H1 | C1 | C2 | H3 | 161.7° | 65.0° |
| H1 | C1 | C5 | O1 | 141.5° | 120.0° |
| H1 | C1 | C5 | N1 | 12.7° | 60.0° |
| H2 | C1 | C2 | C3 | 75.9° | 55.0° |
| H2 | C1 | C2 | C4 | 159.2° | 65.0° |
| H2 | C1 | C2 | H3 | 42.0° | 175.0° |
| H2 | C1 | C5 | O1 | 21.8° | 120.0° |
| H2 | C1 | C5 | N1 | 132.5° | 59.9° |
| C3 | C2 | C4 | H3 | 118.4° | 120.0° |
| C2 | C3 | H4 | H5 | 120.0° | 120.0° |
| C2 | C3 | H4 | H6 | 120.0° | 120.0° |
| C2 | C3 | H5 | H6 | 120.0° | 120.0° |
| C3 | C2 | C4 | H7 | 55.7° | 180.0° |
| C3 | C2 | C4 | H8 | 64.3° | 60.0° |
| C3 | C2 | C4 | H9 | 175.7° | 60.0° |
| C4 | C2 | C3 | H4 | 56.7° | 60.1° |
| C4 | C2 | C3 | H5 | 176.6° | 60.0° |
| C4 | C2 | C3 | H6 | 63.3° | 180.0° |
| C2 | C4 | H7 | H8 | 120.0° | 120.1° |
| C2 | C4 | H7 | H9 | 120.0° | 120.0° |
| C2 | C4 | H8 | H9 | 120.0° | 120.0° |
| H3 | C2 | C3 | H4 | 61.9° | 179.9° |
| H3 | C2 | C3 | H5 | 58.1° | 60.1° |
| H3 | C2 | C3 | H6 | 178.1° | 60.0° |
| H3 | C2 | C4 | H7 | 62.8° | 60.0° |
| H3 | C2 | C4 | H8 | 177.2° | 60.1° |
| H3 | C2 | C4 | H9 | 57.2° | 179.9° |
| H4 | C3 | H5 | H6 | 120.0° | 120.0° |
| H7 | C4 | H8 | H9 | 120.0° | 120.0° |
| O1 | C5 | N1 | C6 | 7.9° | 0.0° |
| O1 | C5 | N1 | H10 | 172.1° | 180.0° |
| C6 | N1 | H10 | C5 | 180.0° | 180.0° |
| N1 | C6 | C7 | C8 | 117.4° | 120.0° |
| N1 | C6 | C7 | H11 | 121.5° | 120.0° |
| N1 | C6 | C8 | H11 | 121.5° | 120.0° |
| N1 | C6 | C7 | O2 | 35.3° | 19.7° |
| N1 | C6 | C8 | C9 | 66.6° | 63.3° |
| N1 | C6 | C8 | C10 | 171.7° | 56.8° |
| N1 | C6 | C8 | H12 | 52.0° | 176.8° |
| N1 | C6 | C7 | N2 | 145.2° | 160.2° |
| H10 | N1 | C6 | C7 | 85.9° | 25.0° |
| H10 | N1 | C6 | C8 | 32.6° | 95.0° |
| H10 | N1 | C6 | H11 | 153.3° | 145.0° |
| C7 | C6 | C8 | H11 | 121.3° | 120.0° |
| C6 | C7 | O2 | N2 | 179.6° | 180.0° |
| C7 | C6 | C8 | C9 | 50.6° | 176.7° |
| C7 | C6 | C8 | C10 | 71.2° | 63.2° |
| C7 | C6 | C8 | H12 | 169.2° | 56.8° |
| C6 | C7 | N2 | C11 | 172.5° | 175.4° |
| C6 | C7 | N2 | H19 | 7.5° | 4.7° |
| C7 | C6 | N1 | C5 | 94.1° | 155.0° |
| C8 | C6 | C7 | O2 | 82.1° | 100.3° |
| C6 | C8 | C9 | C10 | 124.1° | 120.0° |
| C6 | C8 | C9 | H12 | 117.8° | 120.0° |
| C6 | C8 | C10 | H12 | 119.2° | 120.0° |
| C6 | C8 | C9 | H13 | 180.0° | 60.0° |
| C6 | C8 | C9 | H14 | 60.0° | 180.0° |
| C6 | C8 | C9 | H15 | 60.0° | 60.0° |
| C6 | C8 | C10 | H16 | 180.0° | 176.0° |
| C6 | C8 | C10 | H17 | 60.0° | 64.0° |
| C6 | C8 | C10 | H18 | 60.0° | 56.0° |
| C8 | C6 | N1 | C5 | 147.4° | 85.0° |
| C8 | C6 | C7 | N2 | 97.5° | 79.8° |
| H11 | C6 | C7 | O2 | 156.8° | 139.7° |
| H11 | C6 | C8 | C9 | 171.9° | 56.7° |
| H11 | C6 | C8 | C10 | 50.2° | 176.8° |
| H11 | C6 | C8 | H12 | 69.5° | 63.2° |
| H11 | C6 | N1 | C5 | 26.8° | 35.0° |
| H11 | C6 | C7 | N2 | 23.7° | 40.2° |
| O2 | C7 | N2 | C11 | 7.1° | 4.6° |
| O2 | C7 | N2 | H19 | 172.9° | 175.4° |
| C9 | C8 | C10 | H12 | 118.4° | 120.0° |
| C8 | C9 | H13 | H14 | 120.0° | 120.0° |
| C8 | C9 | H13 | H15 | 120.0° | 119.9° |
| C8 | C9 | H14 | H15 | 120.0° | 120.0° |
| C9 | C8 | C10 | H16 | 57.5° | 63.9° |
| C9 | C8 | C10 | H17 | 62.5° | 56.1° |
| C9 | C8 | C10 | H18 | 177.6° | 176.0° |
| C10 | C8 | C9 | H13 | 55.9° | 60.0° |
| C10 | C8 | C9 | H14 | 175.9° | 59.9° |
| C10 | C8 | C9 | H15 | 64.2° | 180.0° |
| C8 | C10 | H16 | H17 | 120.0° | 119.9° |
| C8 | C10 | H16 | H18 | 120.0° | 120.1° |
| C8 | C10 | H17 | H18 | 120.0° | 120.0° |
| H12 | C8 | C9 | H13 | 62.2° | 180.0° |
| H12 | C8 | C9 | H14 | 57.8° | 60.0° |
| H12 | C8 | C9 | H15 | 177.8° | 60.0° |
| H12 | C8 | C10 | H16 | 60.9° | 56.1° |
| H12 | C8 | C10 | H17 | 179.2° | 176.0° |
| H12 | C8 | C10 | H18 | 59.2° | 64.0° |
| H13 | C9 | H14 | H15 | 120.0° | 120.1° |
| H16 | C10 | H17 | H18 | 120.0° | 120.0° |
| C11 | N2 | H19 | C7 | 180.0° | 179.9° |
| N2 | C11 | C12 | C13 | 123.5° | 119.9° |
| N2 | C11 | C12 | H20 | 119.0° | 120.0° |
| N2 | C11 | C13 | H20 | 121.1° | 120.0° |
| N2 | C11 | C12 | O3 | 69.1° | 19.6° |
| N2 | C11 | C13 | C14 | 177.7° | 62.3° |
| N2 | C11 | C13 | C15 | 58.3° | 57.7° |
| N2 | C11 | C13 | H21 | 59.3° | 177.8° |
| N2 | C11 | C12 | N3 | 110.1° | 160.3° |
| H19 | N2 | C11 | C12 | 41.5° | 24.9° |
| H19 | N2 | C11 | C13 | 79.9° | 95.0° |
| H19 | N2 | C11 | H20 | 160.0° | 145.0° |
| C12 | C11 | C13 | H20 | 117.9° | 120.0° |
| C11 | C12 | O3 | N3 | 179.1° | 179.9° |
| C12 | C11 | C13 | C14 | 56.7° | 177.8° |
| C12 | C11 | C13 | C15 | 179.3° | 62.2° |
| C12 | C11 | C13 | H21 | 61.7° | 57.8° |
| C11 | C12 | N3 | C16 | 170.7° | 175.7° |
| C11 | C12 | N3 | H28 | 9.4° | 4.3° |
| C12 | C11 | N2 | C7 | 138.5° | 155.0° |
| C13 | C11 | C12 | O3 | 54.4° | 100.4° |
| C11 | C13 | C14 | C15 | 122.9° | 120.0° |
| C11 | C13 | C14 | H21 | 117.6° | 120.0° |
| C11 | C13 | C15 | H21 | 117.4° | 120.0° |
| C11 | C13 | C14 | H22 | 180.0° | 66.2° |
| C11 | C13 | C14 | H23 | 60.0° | 173.8° |
| C11 | C13 | C14 | H24 | 60.0° | 53.8° |
| C11 | C13 | C15 | H25 | 180.0° | 60.0° |
| C11 | C13 | C15 | H26 | 60.0° | 180.0° |
| C11 | C13 | C15 | H27 | 60.0° | 60.0° |
| C13 | C11 | C12 | N3 | 126.4° | 79.7° |
| C13 | C11 | N2 | C7 | 100.2° | 85.0° |
| H20 | C11 | C12 | O3 | 171.8° | 139.6° |
| H20 | C11 | C13 | C14 | 61.2° | 57.7° |
| H20 | C11 | C13 | C15 | 62.8° | 177.7° |
| H20 | C11 | C13 | H21 | 179.6° | 62.2° |
| H20 | C11 | C12 | N3 | 9.0° | 40.3° |
| H20 | C11 | N2 | C7 | 20.0° | 35.0° |
| O3 | C12 | N3 | C16 | 8.5° | 4.2° |
| O3 | C12 | N3 | H28 | 171.5° | 175.8° |
| C14 | C13 | C15 | H21 | 120.1° | 120.0° |
| C13 | C14 | H22 | H23 | 120.0° | 120.0° |
| C13 | C14 | H22 | H24 | 120.0° | 120.0° |
| C13 | C14 | H23 | H24 | 120.0° | 120.0° |
| C14 | C13 | C15 | H25 | 57.5° | 180.0° |
| C14 | C13 | C15 | H26 | 62.5° | 60.0° |
| C14 | C13 | C15 | H27 | 177.5° | 60.0° |
| C15 | C13 | C14 | H22 | 57.1° | 53.8° |
| C15 | C13 | C14 | H23 | 177.0° | 66.2° |
| C15 | C13 | C14 | H24 | 63.0° | 173.8° |
| C13 | C15 | H25 | H26 | 120.0° | 120.0° |
| C13 | C15 | H25 | H27 | 120.0° | 120.0° |
| C13 | C15 | H26 | H27 | 120.0° | 120.1° |
| H21 | C13 | C14 | H22 | 62.4° | 173.8° |
| H21 | C13 | C14 | H23 | 57.6° | 53.8° |
| H21 | C13 | C14 | H24 | 177.6° | 66.1° |
| H21 | C13 | C15 | H25 | 62.6° | 60.0° |
| H21 | C13 | C15 | H26 | 177.4° | 60.0° |
| H21 | C13 | C15 | H27 | 57.4° | 180.0° |
| H22 | C14 | H23 | H24 | 120.0° | 120.0° |
| H25 | C15 | H26 | H27 | 120.0° | 120.0° |
| C16 | N3 | H28 | C12 | 180.0° | 180.0° |
| N3 | C16 | C17 | C21 | 119.7° | 120.0° |
| N3 | C16 | C17 | H29 | 119.8° | 119.9° |
| N3 | C16 | C21 | H29 | 119.8° | 119.9° |
| N3 | C16 | C17 | C18 | 58.0° | 65.0° |
| N3 | C16 | C17 | H30 | 63.2° | 55.0° |
| N3 | C16 | C17 | H31 | 179.3° | 175.0° |
| N3 | C16 | C21 | O4 | 50.9° | 60.0° |
| N3 | C16 | C21 | C22 | 60.9° | 60.0° |
| N3 | C16 | C21 | H39 | 174.9° | 180.0° |
| H28 | N3 | C16 | C17 | 74.4° | 95.0° |
| H28 | N3 | C16 | C21 | 46.9° | 25.0° |
| H28 | N3 | C16 | H29 | 166.3° | 145.0° |
| C17 | C16 | C21 | H29 | 120.3° | 120.0° |
| C16 | C17 | C18 | H30 | 121.2° | 120.0° |
| C16 | C17 | C18 | H31 | 121.2° | 120.0° |
| C16 | C17 | H30 | H31 | 116.1° | 120.0° |
| C16 | C17 | C18 | C19 | 177.9° | 175.0° |
| C16 | C17 | C18 | C20 | 56.7° | 65.0° |
| C16 | C17 | C18 | H32 | 61.7° | 55.0° |
| C17 | C16 | C21 | O4 | 69.0° | 60.0° |
| C17 | C16 | C21 | C22 | 179.3° | 180.0° |
| C17 | C16 | C21 | H39 | 55.1° | 60.0° |
| C17 | C16 | N3 | C12 | 105.6° | 85.0° |
| C21 | C16 | C17 | C18 | 177.8° | 175.0° |
| C21 | C16 | C17 | H30 | 56.6° | 65.1° |
| C21 | C16 | C17 | H31 | 61.0° | 55.0° |
| C16 | C21 | O4 | C22 | 120.7° | 120.0° |
| C16 | C21 | O4 | H39 | 123.2° | 120.0° |
| C16 | C21 | C22 | H39 | 124.3° | 120.0° |
| C16 | C21 | O4 | H40 | 180.0° | 60.0° |
| C16 | C21 | C22 | C23 | 78.7° | 175.0° |
| C16 | C21 | C22 | H41 | 160.8° | 65.0° |
| C16 | C21 | C22 | H42 | 41.9° | 55.0° |
| C21 | C16 | N3 | C12 | 133.0° | 155.0° |
| H29 | C16 | C17 | C18 | 61.8° | 54.9° |
| H29 | C16 | C17 | H30 | 177.0° | 174.9° |
| H29 | C16 | C17 | H31 | 59.5° | 65.0° |
| H29 | C16 | C21 | O4 | 170.7° | 179.9° |
| H29 | C16 | C21 | C22 | 58.9° | 59.9° |
| H29 | C16 | C21 | H39 | 65.3° | 60.0° |
| H29 | C16 | N3 | C12 | 13.7° | 35.0° |
| C18 | C17 | H30 | H31 | 116.2° | 120.0° |
| C17 | C18 | C19 | C20 | 120.6° | 120.0° |
| C17 | C18 | C19 | H32 | 116.6° | 120.0° |
| C17 | C18 | C20 | H32 | 118.5° | 120.0° |
| C17 | C18 | C19 | H33 | 180.0° | 60.0° |
| C17 | C18 | C19 | H34 | 60.0° | 180.0° |
| C17 | C18 | C19 | H35 | 60.0° | 59.9° |
| C17 | C18 | C20 | H36 | 180.0° | 60.0° |
| C17 | C18 | C20 | H37 | 60.0° | 180.0° |
| C17 | C18 | C20 | H38 | 60.0° | 60.0° |
| H30 | C17 | C18 | C19 | 56.7° | 55.0° |
| H30 | C17 | C18 | C20 | 177.9° | 175.0° |
| H30 | C17 | C18 | H32 | 59.6° | 65.0° |
| H31 | C17 | C18 | C19 | 60.8° | 65.0° |
| H31 | C17 | C18 | C20 | 64.5° | 55.0° |
| H31 | C17 | C18 | H32 | 177.1° | 175.0° |
| C19 | C18 | C20 | H32 | 122.7° | 120.0° |
| C18 | C19 | H33 | H34 | 120.0° | 120.0° |
| C18 | C19 | H33 | H35 | 120.0° | 120.0° |
| C18 | C19 | H34 | H35 | 120.0° | 120.0° |
| C19 | C18 | C20 | H36 | 61.2° | 180.0° |
| C19 | C18 | C20 | H37 | 58.7° | 60.0° |
| C19 | C18 | C20 | H38 | 178.7° | 60.0° |
| C20 | C18 | C19 | H33 | 59.4° | 60.0° |
| C20 | C18 | C19 | H34 | 179.4° | 60.0° |
| C20 | C18 | C19 | H35 | 60.6° | 180.0° |
| C18 | C20 | H36 | H37 | 120.0° | 120.0° |
| C18 | C20 | H36 | H38 | 120.0° | 120.0° |
| C18 | C20 | H37 | H38 | 120.0° | 120.0° |
| H32 | C18 | C19 | H33 | 63.4° | 180.0° |
| H32 | C18 | C19 | H34 | 56.6° | 60.0° |
| H32 | C18 | C19 | H35 | 176.6° | 60.0° |
| H32 | C18 | C20 | H36 | 61.5° | 60.0° |
| H32 | C18 | C20 | H37 | 178.5° | 60.0° |
| H32 | C18 | C20 | H38 | 58.5° | 180.0° |
| H33 | C19 | H34 | H35 | 120.0° | 120.0° |
| H36 | C20 | H37 | H38 | 120.0° | 120.0° |
| O4 | C21 | C22 | H39 | 117.4° | 120.0° |
| O4 | C21 | C22 | C23 | 163.0° | 65.0° |
| O4 | C21 | C22 | H41 | 42.5° | 55.0° |
| O4 | C21 | C22 | H42 | 76.5° | 175.0° |
| C22 | C21 | O4 | H40 | 59.3° | 60.1° |
| C21 | C22 | C23 | H41 | 120.5° | 120.0° |
| C21 | C22 | C23 | H42 | 120.5° | 120.0° |
| C21 | C22 | H41 | H42 | 118.4° | 120.0° |
| C21 | C22 | C23 | O5 | 82.2° | 0.0° |
| C21 | C22 | C23 | N4 | 75.8° | 180.0° |
| H39 | C21 | O4 | H40 | 56.8° | 180.0° |
| H39 | C21 | C22 | C23 | 45.6° | 55.0° |
| H39 | C21 | C22 | H41 | 74.9° | 175.0° |
| H39 | C21 | C22 | H42 | 166.1° | 65.0° |
| C23 | C22 | H41 | H42 | 118.3° | 120.0° |
| C22 | C23 | O5 | N4 | 161.5° | 180.0° |
| C22 | C23 | N4 | C24 | 173.9° | 180.0° |
| C22 | C23 | N4 | H43 | 6.1° | 0.0° |
| H41 | C22 | C23 | O5 | 157.3° | 120.0° |
| H41 | C22 | C23 | N4 | 44.8° | 60.0° |
| H42 | C22 | C23 | O5 | 38.4° | 120.0° |
| H42 | C22 | C23 | N4 | 163.7° | 60.0° |
| O5 | C23 | N4 | C24 | 15.5° | 0.0° |
| O5 | C23 | N4 | H43 | 164.4° | 180.0° |
| C24 | N4 | H43 | C23 | 180.0° | 179.9° |
| N4 | C24 | C25 | C26 | 122.7° | 120.0° |
| N4 | C24 | C25 | H44 | 119.2° | 120.0° |
| N4 | C24 | C26 | H44 | 120.0° | 120.0° |
| N4 | C24 | C25 | O6 | 80.4° | 0.0° |
| N4 | C24 | C26 | H45 | 180.0° | 180.0° |
| N4 | C24 | C26 | H46 | 60.0° | 60.0° |
| N4 | C24 | C26 | H47 | 60.0° | 60.0° |
| N4 | C24 | C25 | N5 | 75.0° | 180.0° |
| H43 | N4 | C24 | C25 | 100.3° | 25.0° |
| H43 | N4 | C24 | C26 | 21.9° | 95.1° |
| H43 | N4 | C24 | H44 | 141.2° | 144.9° |
| C25 | C24 | C26 | H44 | 118.0° | 120.0° |
| C24 | C25 | O6 | N5 | 149.9° | 180.0° |
| C25 | C24 | C26 | H45 | 58.1° | 59.9° |
| C25 | C24 | C26 | H46 | 178.1° | 180.0° |
| C25 | C24 | C26 | H47 | 61.9° | 60.0° |
| C24 | C25 | N5 | C27 | 176.7° | 179.9° |
| C24 | C25 | N5 | H48 | 3.3° | 0.0° |
| C25 | C24 | N4 | C23 | 79.8° | 155.0° |
| C26 | C24 | C25 | O6 | 42.3° | 120.0° |
| C24 | C26 | H45 | H46 | 120.0° | 120.1° |
| C24 | C26 | H45 | H47 | 120.0° | 120.0° |
| C24 | C26 | H46 | H47 | 120.0° | 120.0° |
| C26 | C24 | N4 | C23 | 158.1° | 85.0° |
| C26 | C24 | C25 | N5 | 162.3° | 60.0° |
| H44 | C24 | C25 | O6 | 160.3° | 120.0° |
| H44 | C24 | C26 | H45 | 60.0° | 60.1° |
| H44 | C24 | C26 | H46 | 60.1° | 60.0° |
| H44 | C24 | C26 | H47 | 180.0° | NaN° |
| H44 | C24 | N4 | C23 | 38.7° | 35.0° |
| H44 | C24 | C25 | N5 | 44.3° | 60.0° |
| O6 | C25 | N5 | C27 | 29.7° | 0.1° |
| O6 | C25 | N5 | H48 | 150.3° | 180.0° |
| H45 | C26 | H46 | H47 | 120.0° | 119.9° |
| C27 | N5 | H48 | C25 | 180.0° | 179.9° |
| N5 | C27 | C28 | C32 | 119.2° | 120.0° |
| N5 | C27 | C28 | H49 | 121.2° | 120.0° |
| N5 | C27 | C32 | H49 | 119.7° | 120.1° |
| N5 | C27 | C28 | C29 | 48.9° | 65.0° |
| N5 | C27 | C28 | H50 | 71.8° | 55.0° |
| N5 | C27 | C28 | H51 | 169.6° | 175.0° |
| N5 | C27 | C32 | O7 | 55.7° | 60.0° |
| N5 | C27 | C32 | C33 | 67.1° | 60.0° |
| N5 | C27 | C32 | H59 | 174.7° | 179.9° |
| H48 | N5 | C27 | C28 | 40.7° | 95.1° |
| H48 | N5 | C27 | C32 | 79.8° | 24.9° |
| H48 | N5 | C27 | H49 | 161.1° | 145.0° |
| C28 | C27 | C32 | H49 | 119.3° | 120.0° |
| C27 | C28 | C29 | H50 | 120.7° | 120.0° |
| C27 | C28 | C29 | H51 | 120.7° | 120.0° |
| C27 | C28 | H50 | H51 | 117.8° | 120.0° |
| C27 | C28 | C29 | C30 | 66.3° | 175.0° |
| C27 | C28 | C29 | C31 | 174.2° | 65.0° |
| C27 | C28 | C29 | H52 | 53.9° | 55.0° |
| C28 | C27 | C32 | O7 | 65.3° | 60.0° |
| C28 | C27 | C32 | C33 | 171.9° | 180.0° |
| C28 | C27 | C32 | H59 | 53.6° | 59.9° |
| C28 | C27 | N5 | C25 | 139.3° | 85.0° |
| C32 | C27 | C28 | C29 | 168.2° | 175.0° |
| C32 | C27 | C28 | H50 | 47.5° | 65.0° |
| C32 | C27 | C28 | H51 | 71.1° | 55.0° |
| C27 | C32 | O7 | C33 | 124.5° | 120.0° |
| C27 | C32 | O7 | H59 | 118.3° | 120.0° |
| C27 | C32 | C33 | H59 | 118.3° | 120.0° |
| C27 | C32 | O7 | H60 | 180.0° | 60.0° |
| C27 | C32 | C33 | C34 | 172.2° | 175.0° |
| C27 | C32 | C33 | H61 | 67.6° | 65.0° |
| C27 | C32 | C33 | H62 | 51.9° | 55.0° |
| C32 | C27 | N5 | C25 | 100.2° | 155.0° |
| H49 | C27 | C28 | C29 | 72.3° | 55.0° |
| H49 | C27 | C28 | H50 | 167.0° | 175.0° |
| H49 | C27 | C28 | H51 | 48.4° | 65.0° |
| H49 | C27 | C32 | O7 | 175.3° | 180.0° |
| H49 | C27 | C32 | C33 | 52.6° | 60.0° |
| H49 | C27 | C32 | H59 | 65.7° | 60.0° |
| H49 | C27 | N5 | C25 | 18.9° | 34.9° |
| C29 | C28 | H50 | H51 | 117.8° | 120.0° |
| C28 | C29 | C30 | C31 | 118.9° | 120.1° |
| C28 | C29 | C30 | H52 | 119.9° | 120.0° |
| C28 | C29 | C31 | H52 | 120.3° | 120.0° |
| C28 | C29 | C30 | H53 | 180.0° | 60.0° |
| C28 | C29 | C30 | H54 | 60.0° | 179.9° |
| C28 | C29 | C30 | H55 | 60.0° | 60.0° |
| C28 | C29 | C31 | H56 | 180.0° | 60.0° |
| C28 | C29 | C31 | H57 | 60.0° | 60.0° |
| C28 | C29 | C31 | H58 | 60.0° | 180.0° |
| H50 | C28 | C29 | C30 | 173.0° | 55.0° |
| H50 | C28 | C29 | C31 | 53.5° | 175.0° |
| H50 | C28 | C29 | H52 | 66.8° | 65.0° |
| H51 | C28 | C29 | C30 | 54.4° | 65.0° |
| H51 | C28 | C29 | C31 | 65.1° | 55.0° |
| H51 | C28 | C29 | H52 | 174.6° | 175.0° |
| C30 | C29 | C31 | H52 | 121.5° | 120.0° |
| C29 | C30 | H53 | H54 | 120.0° | 120.0° |
| C29 | C30 | H53 | H55 | 120.0° | 120.0° |
| C29 | C30 | H54 | H55 | 120.0° | 120.0° |
| C30 | C29 | C31 | H56 | 61.8° | 60.0° |
| C30 | C29 | C31 | H57 | 178.2° | 180.0° |
| C30 | C29 | C31 | H58 | 58.2° | 60.0° |
| C31 | C29 | C30 | H53 | 61.1° | 60.0° |
| C31 | C29 | C30 | H54 | 58.9° | 60.0° |
| C31 | C29 | C30 | H55 | 178.9° | 180.0° |
| C29 | C31 | H56 | H57 | 120.0° | 120.0° |
| C29 | C31 | H56 | H58 | 120.0° | 120.0° |
| C29 | C31 | H57 | H58 | 120.0° | 120.0° |
| H52 | C29 | C30 | H53 | 60.2° | 180.0° |
| H52 | C29 | C30 | H54 | 179.9° | 60.0° |
| H52 | C29 | C30 | H55 | 59.9° | 60.0° |
| H52 | C29 | C31 | H56 | 59.7° | 180.0° |
| H52 | C29 | C31 | H57 | 60.3° | 60.0° |
| H52 | C29 | C31 | H58 | 179.7° | 60.0° |
| H53 | C30 | H54 | H55 | 120.0° | 120.0° |
| H56 | C31 | H57 | H58 | 120.0° | 120.0° |
| O7 | C32 | C33 | H59 | 117.9° | 120.0° |
| O7 | C32 | C33 | C34 | 64.0° | 65.0° |
| O7 | C32 | C33 | H61 | 56.3° | 55.0° |
| O7 | C32 | C33 | H62 | 175.8° | 175.0° |
| C33 | C32 | O7 | H60 | 55.5° | 60.0° |
| C32 | C33 | C34 | H61 | 120.2° | 120.0° |
| C32 | C33 | C34 | H62 | 120.3° | 120.0° |
| C32 | C33 | H61 | H62 | 119.2° | 120.0° |
| C32 | C33 | C34 | O8 | 43.3° | 0.0° |
| C32 | C33 | C34 | O9 | 150.0° | 180.0° |
| H59 | C32 | O7 | H60 | 61.7° | 180.0° |
| H59 | C32 | C33 | C34 | 53.9° | 55.0° |
| H59 | C32 | C33 | H61 | 174.2° | 175.0° |
| H59 | C32 | C33 | H62 | 66.3° | 65.0° |
| C34 | C33 | H61 | H62 | 119.2° | 120.0° |
| C33 | C34 | O8 | O9 | 166.0° | 180.0° |
| C33 | C34 | O9 | H63 | 166.7° | 180.0° |
| H61 | C33 | C34 | O8 | 163.6° | 120.0° |
| H61 | C33 | C34 | O9 | 29.8° | 60.0° |
| H62 | C33 | C34 | O8 | 76.9° | 120.0° |
| H62 | C33 | C34 | O9 | 89.7° | 60.0° |
| O8 | C34 | O9 | H63 | 0.0° | 0.0° |
