PRD_000278
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | O1 | doub | 1.21Å | 1.24Å | |
| C1 | C2 | sing | 1.51Å | 1.51Å | |
| C2 | C3 | sing | 1.53Å | 1.49Å | |
| C2 | H1 | sing | 1.09Å | 1.10Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C3 | C4 | sing | 1.53Å | 1.52Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C3 | H4 | sing | 1.09Å | 1.10Å | |
| C4 | C5 | sing | 1.53Å | 1.50Å | |
| C4 | H5 | sing | 1.09Å | 1.10Å | |
| C4 | H6 | sing | 1.09Å | 1.10Å | |
| C5 | C6 | sing | 1.53Å | 1.53Å | |
| C5 | H7 | sing | 1.09Å | 1.10Å | |
| C5 | H8 | sing | 1.09Å | 1.10Å | |
| C6 | C7 | sing | 1.53Å | 1.52Å | |
| C6 | H9 | sing | 1.09Å | 1.10Å | |
| C6 | H10 | sing | 1.09Å | 1.10Å | |
| C7 | C8 | sing | 1.53Å | 1.51Å | |
| C7 | H11 | sing | 1.09Å | 1.10Å | |
| C7 | H12 | sing | 1.09Å | 1.10Å | |
| C8 | C9 | sing | 1.53Å | 1.53Å | |
| C8 | H13 | sing | 1.09Å | 1.10Å | |
| C8 | H14 | sing | 1.09Å | 1.10Å | |
| C9 | C10 | sing | 1.53Å | 1.48Å | |
| C9 | H15 | sing | 1.09Å | 1.10Å | |
| C9 | H16 | sing | 1.09Å | 1.10Å | |
| C10 | H17 | sing | 1.09Å | 1.10Å | |
| C10 | H18 | sing | 1.09Å | 1.10Å | |
| C10 | H19 | sing | 1.09Å | 1.10Å | |
| N1 | C11 | sing | 1.46Å | 1.45Å | |
| N1 | H20 | sing | 0.97Å | 1.00Å | |
| C11 | C12 | sing | 1.51Å | 1.52Å | |
| C11 | C13 | sing | 1.53Å | 1.53Å | |
| C11 | H21 | sing | 1.09Å | 1.10Å | |
| C12 | O2 | doub | 1.21Å | 1.22Å | |
| C13 | C14 | sing | 1.53Å | 1.54Å | |
| C13 | H22 | sing | 1.09Å | 1.10Å | |
| C13 | H23 | sing | 1.09Å | 1.10Å | |
| C14 | C15 | sing | 1.53Å | 1.53Å | |
| C14 | H24 | sing | 1.09Å | 1.10Å | |
| C14 | H25 | sing | 1.09Å | 1.10Å | |
| C15 | N2 | sing | 1.47Å | 1.47Å | |
| C15 | H26 | sing | 1.09Å | 1.10Å | |
| C15 | H27 | sing | 1.09Å | 1.10Å | |
| N2 | C16 | sing | 1.37Å | 1.33Å | |
| N2 | H28 | sing | 0.97Å | 1.00Å | |
| C16 | N3 | sing | 1.33Å | 1.33Å | |
| C16 | N4 | doub | 1.33Å | 1.33Å | |
| N3 | H29 | sing | 0.97Å | 1.00Å | |
| N3 | H30 | sing | 0.97Å | 1.00Å | |
| N4 | H31 | sing | 0.97Å | 1.00Å | |
| N4 | H32 | sing | 0.97Å | 1.00Å | |
| N5 | C17 | sing | 1.46Å | 1.45Å | |
| N5 | H33 | sing | 0.97Å | 1.00Å | |
| C17 | C18 | sing | 1.51Å | 1.52Å | |
| C17 | C19 | sing | 1.53Å | 1.55Å | |
| C17 | H34 | sing | 1.09Å | 1.10Å | |
| C18 | O3 | doub | 1.21Å | 1.23Å | |
| C19 | C20 | sing | 1.53Å | 1.50Å | |
| C19 | C21 | sing | 1.53Å | 1.52Å | |
| 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 | H39 | sing | 1.09Å | 1.10Å | |
| C21 | H40 | sing | 1.09Å | 1.10Å | |
| C21 | H41 | sing | 1.09Å | 1.10Å | |
| N6 | C22 | sing | 1.47Å | 1.45Å | |
| N6 | H42 | sing | 0.97Å | 1.00Å | |
| C22 | C23 | sing | 1.51Å | 1.51Å | |
| C22 | C24 | sing | 1.53Å | 1.52Å | |
| C22 | H43 | sing | 1.09Å | 1.10Å | |
| C23 | O4 | doub | 1.21Å | 1.23Å | |
| C24 | C25 | sing | 1.53Å | 1.50Å | |
| C24 | H44 | sing | 1.09Å | 1.10Å | |
| C24 | H45 | sing | 1.09Å | 1.10Å | |
| C25 | C26 | sing | 1.53Å | 1.52Å | |
| C25 | H46 | sing | 1.09Å | 1.10Å | |
| C25 | H47 | sing | 1.09Å | 1.10Å | |
| C26 | C27 | sing | 1.53Å | 1.50Å | |
| C26 | H48 | sing | 1.09Å | 1.10Å | |
| C26 | H49 | sing | 1.09Å | 1.10Å | |
| C27 | N7 | sing | 1.47Å | 1.48Å | |
| C27 | H50 | sing | 1.09Å | 1.10Å | |
| C27 | H51 | sing | 1.09Å | 1.10Å | |
| N7 | H52 | sing | 1.01Å | 1.00Å | |
| N7 | H53 | sing | 1.01Å | 1.00Å | |
| N7 | H54 | sing | 1.01Å | 1.00Å | |
| N8 | C28 | sing | 1.46Å | 1.46Å | |
| N8 | H55 | sing | 0.97Å | 1.00Å | |
| C28 | C29 | sing | 1.53Å | 1.53Å | |
| C28 | C30 | sing | 1.53Å | 1.53Å | |
| C28 | H56 | sing | 1.09Å | 1.10Å | |
| C29 | O5 | sing | 1.43Å | 1.39Å | |
| C29 | H57 | sing | 1.09Å | 1.10Å | |
| O5 | H58 | sing | 0.97Å | 0.95Å | |
| C30 | C31 | sing | 1.53Å | 1.52Å | |
| C30 | H59 | sing | 1.09Å | 1.10Å | |
| C30 | H60 | sing | 1.09Å | 1.10Å | |
| C31 | C32 | sing | 1.53Å | 1.53Å | |
| C31 | H61 | sing | 1.09Å | 1.10Å | |
| C31 | H62 | sing | 1.09Å | 1.10Å | |
| C32 | N9 | sing | 1.47Å | 1.46Å | |
| C32 | H63 | sing | 1.09Å | 1.10Å | |
| C32 | H64 | sing | 1.09Å | 1.10Å | |
| N9 | C33 | sing | 1.37Å | 1.33Å | |
| N9 | H65 | sing | 0.97Å | 1.00Å | |
| C33 | N10 | doub | 1.33Å | 1.33Å | |
| C33 | N11 | sing | 1.33Å | 1.32Å | |
| N10 | H66 | sing | 0.97Å | 1.00Å | |
| N11 | H67 | sing | 0.97Å | 1.00Å | |
| N11 | H68 | sing | 0.97Å | 1.00Å | |
| N10 | H69 | sing | 0.97Å | 1.00Å | |
| C34 | CL1 | sing | 1.80Å | 132.49Å | |
| C34 | H70 | sing | 1.09Å | 1.10Å | |
| C34 | H71 | sing | 1.09Å | 1.10Å | |
| C1 | N1 | sing | 1.35Å | 1.33Å | |
| C23 | N8 | sing | 1.35Å | 1.33Å | |
| C29 | C34 | sing | 1.53Å | 1.54Å | |
| C12 | N5 | sing | 1.35Å | 1.32Å | |
| C18 | N6 | sing | 1.35Å | 1.33Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C1 | C2 | 121.1° | 120.0° |
| O1 | C1 | N1 | 122.4° | 120.0° |
| C1 | C2 | C3 | 111.4° | 109.4° |
| C1 | C2 | H1 | 109.0° | 109.4° |
| C1 | C2 | H2 | 109.0° | 109.5° |
| C2 | C1 | N1 | 116.5° | 120.0° |
| C3 | C2 | H1 | 109.0° | 109.5° |
| C3 | C2 | H2 | 109.0° | 109.5° |
| C2 | C3 | C4 | 115.4° | 109.4° |
| C2 | C3 | H3 | 108.0° | 109.5° |
| C2 | C3 | H4 | 108.0° | 109.5° |
| H1 | C2 | H2 | 109.4° | 109.5° |
| C4 | C3 | H3 | 107.9° | 109.5° |
| C4 | C3 | H4 | 108.0° | 109.4° |
| C3 | C4 | C5 | 115.2° | 109.5° |
| C3 | C4 | H5 | 108.0° | 109.5° |
| C3 | C4 | H6 | 108.0° | 109.5° |
| H3 | C3 | H4 | 109.5° | 109.5° |
| C5 | C4 | H5 | 108.0° | 109.4° |
| C5 | C4 | H6 | 108.0° | 109.5° |
| C4 | C5 | C6 | 109.6° | 109.5° |
| C4 | C5 | H7 | 109.4° | 109.4° |
| C4 | C5 | H8 | 109.5° | 109.5° |
| H5 | C4 | H6 | 109.5° | 109.4° |
| C6 | C5 | H7 | 109.4° | 109.4° |
| C6 | C5 | H8 | 109.4° | 109.5° |
| C5 | C6 | C7 | 111.8° | 109.4° |
| C5 | C6 | H9 | 108.9° | 109.4° |
| C5 | C6 | H10 | 108.9° | 109.5° |
| H7 | C5 | H8 | 109.5° | 109.5° |
| C7 | C6 | H9 | 108.9° | 109.5° |
| C7 | C6 | H10 | 108.9° | 109.5° |
| C6 | C7 | C8 | 110.3° | 109.4° |
| C6 | C7 | H11 | 109.3° | 109.5° |
| C6 | C7 | H12 | 109.2° | 109.4° |
| H9 | C6 | H10 | 109.5° | 109.5° |
| C8 | C7 | H11 | 109.2° | 109.5° |
| C8 | C7 | H12 | 109.2° | 109.5° |
| C7 | C8 | C9 | 113.4° | 109.4° |
| C7 | C8 | H13 | 108.5° | 109.5° |
| C7 | C8 | H14 | 108.5° | 109.5° |
| H11 | C7 | H12 | 109.5° | 109.5° |
| C9 | C8 | H13 | 108.4° | 109.5° |
| C9 | C8 | H14 | 108.5° | 109.5° |
| C8 | C9 | C10 | 115.3° | 109.4° |
| C8 | C9 | H15 | 108.0° | 109.5° |
| C8 | C9 | H16 | 108.0° | 109.5° |
| H13 | C8 | H14 | 109.5° | 109.5° |
| C10 | C9 | H15 | 108.0° | 109.5° |
| C10 | C9 | H16 | 108.0° | 109.5° |
| C9 | C10 | H17 | 109.5° | 109.5° |
| C9 | C10 | H18 | 109.5° | 109.5° |
| C9 | C10 | H19 | 109.5° | 109.5° |
| H15 | C9 | H16 | 109.5° | 109.5° |
| H17 | C10 | H18 | 109.4° | 109.4° |
| H17 | C10 | H19 | 109.5° | 109.5° |
| H18 | C10 | H19 | 109.5° | 109.4° |
| C11 | N1 | H20 | 119.7° | 120.0° |
| N1 | C11 | C12 | 108.6° | 109.5° |
| N1 | C11 | C13 | 109.5° | 109.5° |
| N1 | C11 | H21 | 109.6° | 109.5° |
| C11 | N1 | C1 | 120.6° | 120.0° |
| H20 | N1 | C1 | 119.7° | 120.0° |
| C12 | C11 | C13 | 111.6° | 109.5° |
| C12 | C11 | H21 | 108.8° | 109.5° |
| C11 | C12 | O2 | 120.7° | 120.0° |
| C11 | C12 | N5 | 116.7° | 120.0° |
| C13 | C11 | H21 | 108.7° | 109.5° |
| C11 | C13 | C14 | 113.5° | 109.4° |
| C11 | C13 | H22 | 108.5° | 109.4° |
| C11 | C13 | H23 | 108.5° | 109.5° |
| O2 | C12 | N5 | 122.6° | 120.0° |
| C14 | C13 | H22 | 108.5° | 109.4° |
| C14 | C13 | H23 | 108.4° | 109.5° |
| C13 | C14 | C15 | 111.1° | 109.4° |
| C13 | C14 | H24 | 109.1° | 109.5° |
| C13 | C14 | H25 | 109.1° | 109.5° |
| H22 | C13 | H23 | 109.5° | 109.6° |
| C15 | C14 | H24 | 109.1° | 109.4° |
| C15 | C14 | H25 | 109.1° | 109.5° |
| C14 | C15 | N2 | 114.4° | 109.5° |
| C14 | C15 | H26 | 108.2° | 109.5° |
| C14 | C15 | H27 | 108.2° | 109.5° |
| H24 | C14 | H25 | 109.5° | 109.5° |
| N2 | C15 | H26 | 108.2° | 109.5° |
| N2 | C15 | H27 | 108.3° | 109.4° |
| C15 | N2 | C16 | 124.5° | 120.0° |
| C15 | N2 | H28 | 117.8° | 120.0° |
| H26 | C15 | H27 | 109.4° | 109.5° |
| C16 | N2 | H28 | 117.7° | 120.0° |
| N2 | C16 | N3 | 120.2° | 120.0° |
| N2 | C16 | N4 | 120.0° | 120.0° |
| N3 | C16 | N4 | 119.7° | 120.0° |
| C16 | N3 | H29 | 120.0° | 119.9° |
| C16 | N3 | H30 | 120.0° | 120.0° |
| C16 | N4 | H31 | 120.0° | 120.0° |
| C16 | N4 | H32 | 120.0° | 120.0° |
| H29 | N3 | H30 | 120.0° | 120.1° |
| H31 | N4 | H32 | 120.0° | 120.0° |
| C17 | N5 | H33 | 119.8° | 120.0° |
| N5 | C17 | C18 | 111.9° | 109.5° |
| N5 | C17 | C19 | 111.7° | 109.5° |
| N5 | C17 | H34 | 109.0° | 109.5° |
| C17 | N5 | C12 | 120.3° | 120.0° |
| H33 | N5 | C12 | 119.9° | 120.0° |
| C18 | C17 | C19 | 108.2° | 109.5° |
| C18 | C17 | H34 | 108.1° | 109.4° |
| C17 | C18 | O3 | 121.0° | 120.0° |
| C17 | C18 | N6 | 115.9° | 120.0° |
| C19 | C17 | H34 | 107.7° | 109.5° |
| C17 | C19 | C20 | 110.2° | 109.5° |
| C17 | C19 | C21 | 110.5° | 109.4° |
| C17 | C19 | H35 | 108.3° | 109.4° |
| O3 | C18 | N6 | 123.2° | 120.0° |
| C20 | C19 | C21 | 110.0° | 109.5° |
| C20 | C19 | H35 | 109.0° | 109.5° |
| C19 | C20 | H36 | 109.5° | 109.5° |
| C19 | C20 | H37 | 109.5° | 109.4° |
| C19 | C20 | H38 | 109.5° | 109.5° |
| C21 | C19 | H35 | 108.7° | 109.5° |
| C19 | C21 | H39 | 109.5° | 109.5° |
| C19 | C21 | H40 | 109.4° | 109.4° |
| C19 | C21 | H41 | 109.5° | 109.5° |
| H36 | C20 | H37 | 109.5° | 109.4° |
| H36 | C20 | H38 | 109.5° | 109.5° |
| H37 | C20 | H38 | 109.4° | 109.5° |
| H39 | C21 | H40 | 109.5° | 109.5° |
| H39 | C21 | H41 | 109.5° | 109.5° |
| H40 | C21 | H41 | 109.5° | 109.4° |
| C22 | N6 | H42 | 118.7° | 120.0° |
| N6 | C22 | C23 | 108.7° | 109.5° |
| N6 | C22 | C24 | 110.3° | 109.5° |
| N6 | C22 | H43 | 110.6° | 109.4° |
| C22 | N6 | C18 | 122.5° | 120.0° |
| H42 | N6 | C18 | 118.7° | 120.0° |
| C23 | C22 | C24 | 107.8° | 109.5° |
| C23 | C22 | H43 | 109.7° | 109.5° |
| C22 | C23 | O4 | 120.5° | 120.0° |
| C22 | C23 | N8 | 116.4° | 120.0° |
| C24 | C22 | H43 | 109.6° | 109.5° |
| C22 | C24 | C25 | 114.8° | 109.5° |
| C22 | C24 | H44 | 108.1° | 109.5° |
| C22 | C24 | H45 | 108.1° | 109.4° |
| O4 | C23 | N8 | 123.1° | 120.0° |
| C25 | C24 | H44 | 108.1° | 109.5° |
| C25 | C24 | H45 | 108.1° | 109.5° |
| C24 | C25 | C26 | 109.9° | 109.5° |
| C24 | C25 | H46 | 109.4° | 109.4° |
| C24 | C25 | H47 | 109.4° | 109.4° |
| H44 | C24 | H45 | 109.5° | 109.5° |
| C26 | C25 | H46 | 109.4° | 109.5° |
| C26 | C25 | H47 | 109.4° | 109.5° |
| C25 | C26 | C27 | 110.7° | 109.5° |
| C25 | C26 | H48 | 109.2° | 109.5° |
| C25 | C26 | H49 | 109.2° | 109.5° |
| H46 | C25 | H47 | 109.4° | 109.5° |
| C27 | C26 | H48 | 109.2° | 109.5° |
| C27 | C26 | H49 | 109.1° | 109.5° |
| C26 | C27 | N7 | 110.1° | 109.5° |
| C26 | C27 | H50 | 109.3° | 109.4° |
| C26 | C27 | H51 | 109.3° | 109.4° |
| H48 | C26 | H49 | 109.5° | 109.4° |
| N7 | C27 | H50 | 109.3° | 109.5° |
| N7 | C27 | H51 | 109.3° | 109.5° |
| C27 | N7 | H52 | 109.5° | 109.5° |
| C27 | N7 | H53 | 109.4° | 109.5° |
| C27 | N7 | H54 | 109.5° | 109.5° |
| H50 | C27 | H51 | 109.5° | 109.5° |
| H52 | N7 | H53 | 109.5° | 109.5° |
| H52 | N7 | H54 | 109.5° | 109.4° |
| H53 | N7 | H54 | 109.5° | 109.4° |
| C28 | N8 | H55 | 119.2° | 120.1° |
| N8 | C28 | C29 | 110.5° | 109.5° |
| N8 | C28 | C30 | 110.5° | 109.4° |
| N8 | C28 | H56 | 109.0° | 109.5° |
| C28 | N8 | C23 | 121.7° | 120.0° |
| H55 | N8 | C23 | 119.2° | 119.9° |
| C29 | C28 | C30 | 110.5° | 109.5° |
| C29 | C28 | H56 | 108.1° | 109.5° |
| C28 | C29 | O5 | 108.9° | 109.4° |
| C28 | C29 | H57 | 108.9° | 109.4° |
| C28 | C29 | C34 | 109.7° | 109.5° |
| C30 | C28 | H56 | 108.1° | 109.4° |
| C28 | C30 | C31 | 112.9° | 109.5° |
| C28 | C30 | H59 | 108.6° | 109.5° |
| C28 | C30 | H60 | 108.6° | 109.4° |
| O5 | C29 | H57 | 110.9° | 109.5° |
| C29 | O5 | H58 | 109.5° | 114.1° |
| O5 | C29 | C34 | 109.7° | 109.5° |
| H57 | C29 | C34 | 108.7° | 109.5° |
| C31 | C30 | H59 | 108.6° | 109.5° |
| C31 | C30 | H60 | 108.6° | 109.5° |
| C30 | C31 | C32 | 114.1° | 109.5° |
| C30 | C31 | H61 | 108.3° | 109.4° |
| C30 | C31 | H62 | 108.3° | 109.4° |
| H59 | C30 | H60 | 109.5° | 109.4° |
| C32 | C31 | H61 | 108.3° | 109.5° |
| C32 | C31 | H62 | 108.3° | 109.5° |
| C31 | C32 | N9 | 110.4° | 109.5° |
| C31 | C32 | H63 | 109.3° | 109.5° |
| C31 | C32 | H64 | 109.2° | 109.5° |
| H61 | C31 | H62 | 109.5° | 109.5° |
| N9 | C32 | H63 | 109.2° | 109.5° |
| N9 | C32 | H64 | 109.2° | 109.5° |
| C32 | N9 | C33 | 125.5° | 120.0° |
| C32 | N9 | H65 | 117.2° | 120.0° |
| H63 | C32 | H64 | 109.5° | 109.5° |
| C33 | N9 | H65 | 117.2° | 120.0° |
| N9 | C33 | N10 | 119.6° | 119.9° |
| N9 | C33 | N11 | 120.9° | 120.0° |
| N10 | C33 | N11 | 119.5° | 120.1° |
| C33 | N10 | H66 | 120.0° | 120.1° |
| C33 | N10 | H69 | 120.0° | 119.9° |
| C33 | N11 | H67 | 120.0° | 120.0° |
| C33 | N11 | H68 | 120.0° | 120.0° |
| H66 | N10 | H69 | 120.0° | 120.0° |
| H67 | N11 | H68 | 120.0° | 120.0° |
| CL1 | C34 | H70 | 119.8° | 109.5° |
| CL1 | C34 | H71 | 119.7° | 109.5° |
| CL1 | C34 | C29 | 61.5° | 109.5° |
| H70 | C34 | H71 | 109.5° | 109.4° |
| H70 | C34 | C29 | 119.8° | 109.5° |
| H71 | C34 | C29 | 119.8° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C1 | C2 | N1 | 178.9° | 179.8° |
| O1 | C1 | C2 | C3 | 1.9° | 0.0° |
| O1 | C1 | C2 | H1 | 118.4° | 120.0° |
| O1 | C1 | C2 | H2 | 122.2° | 120.0° |
| O1 | C1 | N1 | C11 | 0.8° | 0.0° |
| O1 | C1 | N1 | H20 | 179.1° | 180.0° |
| C1 | C2 | C3 | H1 | 120.3° | 119.9° |
| C1 | C2 | C3 | H2 | 120.3° | 120.0° |
| C1 | C2 | H1 | H2 | 119.1° | 120.0° |
| C1 | C2 | C3 | C4 | 145.9° | 180.0° |
| C1 | C2 | C3 | H3 | 25.0° | 60.1° |
| C1 | C2 | C3 | H4 | 93.3° | 60.0° |
| C2 | C1 | N1 | C11 | 179.8° | 179.8° |
| C2 | C1 | N1 | H20 | 0.2° | 0.2° |
| C3 | C2 | H1 | H2 | 119.1° | 120.0° |
| C2 | C3 | C4 | H3 | 120.9° | 120.0° |
| C2 | C3 | C4 | H4 | 120.8° | 120.0° |
| C2 | C3 | H3 | H4 | 117.3° | 120.1° |
| C2 | C3 | C4 | C5 | 58.8° | 180.0° |
| C2 | C3 | C4 | H5 | 62.0° | 60.0° |
| C2 | C3 | C4 | H6 | 179.7° | 60.0° |
| C3 | C2 | C1 | N1 | 177.0° | 179.7° |
| H1 | C2 | C3 | C4 | 93.8° | 60.0° |
| H1 | C2 | C3 | H3 | 145.3° | 180.0° |
| H1 | C2 | C3 | H4 | 27.0° | 59.9° |
| H1 | C2 | C1 | N1 | 62.7° | 59.8° |
| H2 | C2 | C3 | C4 | 25.6° | 60.0° |
| H2 | C2 | C3 | H3 | 95.3° | 60.0° |
| H2 | C2 | C3 | H4 | 146.4° | 179.9° |
| H2 | C2 | C1 | N1 | 56.7° | 60.3° |
| C4 | C3 | H3 | H4 | 117.3° | 120.0° |
| C3 | C4 | C5 | H5 | 120.9° | 120.1° |
| C3 | C4 | C5 | H6 | 120.8° | 120.0° |
| C3 | C4 | H5 | H6 | 117.4° | 120.0° |
| C3 | C4 | C5 | C6 | 163.4° | 180.0° |
| C3 | C4 | C5 | H7 | 43.4° | 60.0° |
| C3 | C4 | C5 | H8 | 76.5° | 60.0° |
| H3 | C3 | C4 | C5 | 179.7° | 60.0° |
| H3 | C3 | C4 | H5 | 58.9° | 180.0° |
| H3 | C3 | C4 | H6 | 59.4° | 60.0° |
| H4 | C3 | C4 | C5 | 62.0° | 60.0° |
| H4 | C3 | C4 | H5 | 177.2° | 60.0° |
| H4 | C3 | C4 | H6 | 58.8° | 180.0° |
| C5 | C4 | H5 | H6 | 117.4° | 119.9° |
| C4 | C5 | C6 | H7 | 120.0° | 120.0° |
| C4 | C5 | C6 | H8 | 120.1° | 120.0° |
| C4 | C5 | H7 | H8 | 119.9° | 120.0° |
| C4 | C5 | C6 | C7 | 167.1° | 180.0° |
| C4 | C5 | C6 | H9 | 46.8° | 60.0° |
| C4 | C5 | C6 | H10 | 72.6° | 60.0° |
| H5 | C4 | C5 | C6 | 75.7° | 60.0° |
| H5 | C4 | C5 | H7 | 164.3° | 179.9° |
| H5 | C4 | C5 | H8 | 44.3° | 60.1° |
| H6 | C4 | C5 | C6 | 42.6° | 59.9° |
| H6 | C4 | C5 | H7 | 77.4° | 60.0° |
| H6 | C4 | C5 | H8 | 162.6° | 180.0° |
| C6 | C5 | H7 | H8 | 119.9° | 120.0° |
| C5 | C6 | C7 | H9 | 120.3° | 119.9° |
| C5 | C6 | C7 | H10 | 120.3° | 120.0° |
| C5 | C6 | H9 | H10 | 118.9° | 120.0° |
| C5 | C6 | C7 | C8 | 173.9° | 180.0° |
| C5 | C6 | C7 | H11 | 66.0° | 60.1° |
| C5 | C6 | C7 | H12 | 53.8° | 60.0° |
| H7 | C5 | C6 | C7 | 72.8° | 60.0° |
| H7 | C5 | C6 | H9 | 166.8° | 180.0° |
| H7 | C5 | C6 | H10 | 47.5° | 60.0° |
| H8 | C5 | C6 | C7 | 47.1° | 60.0° |
| H8 | C5 | C6 | H9 | 73.3° | 60.0° |
| H8 | C5 | C6 | H10 | 167.4° | 180.0° |
| C7 | C6 | H9 | H10 | 119.0° | 120.1° |
| C6 | C7 | C8 | H11 | 120.1° | 120.0° |
| C6 | C7 | C8 | H12 | 120.1° | 119.9° |
| C6 | C7 | H11 | H12 | 119.6° | 120.0° |
| C6 | C7 | C8 | C9 | 173.4° | 180.0° |
| C6 | C7 | C8 | H13 | 66.0° | 60.0° |
| C6 | C7 | C8 | H14 | 52.8° | 60.0° |
| H9 | C6 | C7 | C8 | 53.5° | 60.0° |
| H9 | C6 | C7 | H11 | 173.6° | 180.0° |
| H9 | C6 | C7 | H12 | 66.6° | 59.9° |
| H10 | C6 | C7 | C8 | 65.8° | 60.0° |
| H10 | C6 | C7 | H11 | 54.3° | 59.9° |
| H10 | C6 | C7 | H12 | 174.1° | 180.0° |
| C8 | C7 | H11 | H12 | 119.6° | 120.1° |
| C7 | C8 | C9 | H13 | 120.6° | 120.0° |
| C7 | C8 | C9 | H14 | 120.6° | 120.0° |
| C7 | C8 | H13 | H14 | 118.2° | 120.1° |
| C7 | C8 | C9 | C10 | 50.4° | 180.0° |
| C7 | C8 | C9 | H15 | 171.3° | 60.0° |
| C7 | C8 | C9 | H16 | 70.4° | 60.0° |
| H11 | C7 | C8 | C9 | 53.3° | 60.0° |
| H11 | C7 | C8 | H13 | 173.8° | NaN° |
| H11 | C7 | C8 | H14 | 67.3° | 59.9° |
| H12 | C7 | C8 | C9 | 66.5° | 60.1° |
| H12 | C7 | C8 | H13 | 54.1° | 59.9° |
| H12 | C7 | C8 | H14 | 172.9° | 179.9° |
| C9 | C8 | H13 | H14 | 118.2° | 120.0° |
| C8 | C9 | C10 | H15 | 120.9° | 120.0° |
| C8 | C9 | C10 | H16 | 120.8° | 120.0° |
| C8 | C9 | H15 | H16 | 117.3° | 120.0° |
| C8 | C9 | C10 | H17 | 180.0° | 60.0° |
| C8 | C9 | C10 | H18 | 60.0° | 180.0° |
| C8 | C9 | C10 | H19 | 60.0° | 60.0° |
| H13 | C8 | C9 | C10 | 70.2° | 60.1° |
| H13 | C8 | C9 | H15 | 50.7° | NaN° |
| H13 | C8 | C9 | H16 | 169.0° | 60.0° |
| H14 | C8 | C9 | C10 | 171.0° | 60.0° |
| H14 | C8 | C9 | H15 | 68.1° | 60.0° |
| H14 | C8 | C9 | H16 | 50.2° | 180.0° |
| C10 | C9 | H15 | H16 | 117.4° | 120.1° |
| C9 | C10 | H17 | H18 | 120.0° | 120.0° |
| C9 | C10 | H17 | H19 | 120.0° | 120.0° |
| C9 | C10 | H18 | H19 | 120.0° | 120.0° |
| H15 | C9 | C10 | H17 | 59.2° | 60.0° |
| H15 | C9 | C10 | H18 | 179.1° | 60.0° |
| H15 | C9 | C10 | H19 | 60.8° | 180.0° |
| H16 | C9 | C10 | H17 | 59.1° | 180.0° |
| H16 | C9 | C10 | H18 | 60.8° | 60.0° |
| H16 | C9 | C10 | H19 | 179.2° | 59.9° |
| H17 | C10 | H18 | H19 | 120.0° | 120.0° |
| C11 | N1 | H20 | C1 | 180.0° | 180.0° |
| N1 | C11 | C12 | C13 | 120.8° | 120.0° |
| N1 | C11 | C12 | H21 | 119.3° | 120.0° |
| N1 | C11 | C13 | H21 | 119.8° | 120.0° |
| N1 | C11 | C12 | O2 | 47.7° | 0.0° |
| N1 | C11 | C13 | C14 | 62.4° | 65.0° |
| N1 | C11 | C13 | H22 | 58.3° | 54.9° |
| N1 | C11 | C13 | H23 | 177.1° | 175.0° |
| N1 | C11 | C12 | N5 | 131.1° | 180.0° |
| H20 | N1 | C11 | C12 | 50.5° | 25.0° |
| H20 | N1 | C11 | C13 | 71.6° | 95.0° |
| H20 | N1 | C11 | H21 | 169.3° | 145.0° |
| C12 | C11 | C13 | H21 | 120.0° | 120.0° |
| C11 | C12 | O2 | N5 | 178.7° | 180.0° |
| C12 | C11 | C13 | C14 | 177.4° | 175.0° |
| C12 | C11 | C13 | H22 | 62.0° | 65.1° |
| C12 | C11 | C13 | H23 | 56.8° | 55.0° |
| C11 | C12 | N5 | C17 | 179.7° | 180.0° |
| C11 | C12 | N5 | H33 | 0.3° | 0.0° |
| C12 | C11 | N1 | C1 | 129.5° | 155.0° |
| C13 | C11 | C12 | O2 | 73.1° | 120.0° |
| C11 | C13 | C14 | H22 | 120.6° | 119.9° |
| C11 | C13 | C14 | H23 | 120.6° | 120.0° |
| C11 | C13 | H22 | H23 | 118.2° | 120.0° |
| C11 | C13 | C14 | C15 | 71.1° | NaN° |
| C11 | C13 | C14 | H24 | 49.1° | 60.1° |
| C11 | C13 | C14 | H25 | 168.6° | 60.0° |
| C13 | C11 | N1 | C1 | 108.4° | 85.0° |
| C13 | C11 | C12 | N5 | 108.2° | 60.0° |
| H21 | C11 | C12 | O2 | 167.0° | 120.0° |
| H21 | C11 | C13 | C14 | 57.4° | 55.0° |
| H21 | C11 | C13 | H22 | 178.0° | 174.9° |
| H21 | C11 | C13 | H23 | 63.2° | 65.0° |
| H21 | C11 | N1 | C1 | 10.8° | 35.0° |
| H21 | C11 | C12 | N5 | 11.8° | 60.0° |
| O2 | C12 | N5 | C17 | 0.9° | 0.0° |
| O2 | C12 | N5 | H33 | 179.1° | 179.9° |
| C14 | C13 | H22 | H23 | 118.1° | 120.1° |
| C13 | C14 | C15 | H24 | 120.2° | 120.0° |
| C13 | C14 | C15 | H25 | 120.2° | 120.1° |
| C13 | C14 | H24 | H25 | 119.2° | 120.1° |
| C13 | C14 | C15 | N2 | 176.8° | 180.0° |
| C13 | C14 | C15 | H26 | 62.4° | 60.0° |
| C13 | C14 | C15 | H27 | 56.1° | 60.0° |
| H22 | C13 | C14 | C15 | 168.3° | 60.1° |
| H22 | C13 | C14 | H24 | 71.5° | 180.0° |
| H22 | C13 | C14 | H25 | 48.0° | 59.9° |
| H23 | C13 | C14 | C15 | 49.5° | 60.0° |
| H23 | C13 | C14 | H24 | 169.7° | 59.9° |
| H23 | C13 | C14 | H25 | 70.8° | 180.0° |
| C15 | C14 | H24 | H25 | 119.3° | 120.0° |
| C14 | C15 | N2 | H26 | 120.7° | 120.0° |
| C14 | C15 | N2 | H27 | 120.7° | 120.0° |
| C14 | C15 | H26 | H27 | 117.8° | 120.1° |
| C14 | C15 | N2 | C16 | 97.8° | 180.0° |
| C14 | C15 | N2 | H28 | 82.2° | 0.1° |
| H24 | C14 | C15 | N2 | 56.6° | 60.0° |
| H24 | C14 | C15 | H26 | 177.3° | 180.0° |
| H24 | C14 | C15 | H27 | 64.2° | 60.0° |
| H25 | C14 | C15 | N2 | 62.9° | 60.0° |
| H25 | C14 | C15 | H26 | 57.8° | 60.0° |
| H25 | C14 | C15 | H27 | 176.3° | 179.9° |
| N2 | C15 | H26 | H27 | 117.8° | 120.0° |
| C15 | N2 | C16 | H28 | 180.0° | 179.9° |
| C15 | N2 | C16 | N3 | 179.6° | 0.0° |
| C15 | N2 | C16 | N4 | 0.2° | 180.0° |
| H26 | C15 | N2 | C16 | 141.5° | 60.0° |
| H26 | C15 | N2 | H28 | 38.5° | 120.1° |
| H27 | C15 | N2 | C16 | 23.0° | 60.0° |
| H27 | C15 | N2 | H28 | 157.1° | 119.9° |
| N2 | C16 | N3 | N4 | 179.8° | 180.0° |
| N2 | C16 | N3 | H29 | 179.8° | 0.0° |
| N2 | C16 | N3 | H30 | 0.2° | 180.0° |
| N2 | C16 | N4 | H31 | 179.8° | 180.0° |
| N2 | C16 | N4 | H32 | 0.2° | 0.1° |
| H28 | N2 | C16 | N3 | 0.4° | 180.0° |
| H28 | N2 | C16 | N4 | 179.7° | 0.1° |
| C16 | N3 | H29 | H30 | 180.0° | 180.0° |
| N3 | C16 | N4 | H31 | 0.0° | 0.0° |
| N3 | C16 | N4 | H32 | 180.0° | 180.0° |
| N4 | C16 | N3 | H29 | 0.0° | 180.0° |
| N4 | C16 | N3 | H30 | 180.0° | 0.0° |
| C16 | N4 | H31 | H32 | 180.0° | 179.9° |
| C17 | N5 | H33 | C12 | 180.0° | 179.9° |
| N5 | C17 | C18 | C19 | 123.6° | 120.0° |
| N5 | C17 | C18 | H34 | 120.0° | 120.0° |
| N5 | C17 | C19 | H34 | 119.7° | 120.0° |
| N5 | C17 | C18 | O3 | 37.1° | 19.4° |
| N5 | C17 | C19 | C20 | 54.9° | 64.2° |
| N5 | C17 | C19 | C21 | 67.0° | 55.8° |
| N5 | C17 | C19 | H35 | 174.1° | 175.8° |
| N5 | C17 | C18 | N6 | 142.8° | 160.5° |
| H33 | N5 | C17 | C18 | 65.5° | 25.1° |
| H33 | N5 | C17 | C19 | 56.0° | 94.9° |
| H33 | N5 | C17 | H34 | 175.0° | 145.0° |
| C18 | C17 | C19 | H34 | 116.6° | 119.9° |
| C17 | C18 | O3 | N6 | 180.0° | 179.9° |
| C18 | C17 | C19 | C20 | 178.6° | 175.8° |
| C18 | C17 | C19 | C21 | 56.7° | 64.2° |
| C18 | C17 | C19 | H35 | 62.2° | 55.8° |
| C17 | C18 | N6 | C22 | 179.3° | 175.6° |
| C17 | C18 | N6 | H42 | 0.7° | 4.4° |
| C18 | C17 | N5 | C12 | 114.5° | 155.0° |
| C19 | C17 | C18 | O3 | 86.5° | 100.6° |
| C17 | C19 | C20 | C21 | 122.1° | 120.0° |
| C17 | C19 | C20 | H35 | 118.8° | 120.0° |
| C17 | C19 | C21 | H35 | 118.8° | 119.9° |
| C17 | C19 | C20 | H36 | 180.0° | 66.0° |
| C17 | C19 | C20 | H37 | 60.0° | 174.1° |
| C17 | C19 | C20 | H38 | 60.0° | 54.1° |
| C17 | C19 | C21 | H39 | 180.0° | 60.0° |
| C17 | C19 | C21 | H40 | 60.0° | 180.0° |
| C17 | C19 | C21 | H41 | 60.0° | 60.1° |
| C19 | C17 | N5 | C12 | 124.0° | 85.0° |
| C19 | C17 | C18 | N6 | 93.6° | 79.5° |
| H34 | C17 | C18 | O3 | 157.1° | 139.4° |
| H34 | C17 | C19 | C20 | 64.8° | 55.8° |
| H34 | C17 | C19 | C21 | 173.4° | 175.9° |
| H34 | C17 | C19 | H35 | 54.4° | 64.2° |
| H34 | C17 | N5 | C12 | 5.0° | 35.0° |
| H34 | C17 | C18 | N6 | 22.8° | 40.5° |
| O3 | C18 | N6 | C22 | 0.8° | 4.3° |
| O3 | C18 | N6 | H42 | 179.2° | 175.6° |
| C20 | C19 | C21 | H35 | 119.3° | 120.1° |
| C19 | C20 | H36 | H37 | 120.0° | 119.9° |
| C19 | C20 | H36 | H38 | 120.0° | 120.1° |
| C19 | C20 | H37 | H38 | 119.9° | 120.0° |
| C20 | C19 | C21 | H39 | 58.1° | 180.0° |
| C20 | C19 | C21 | H40 | 61.9° | 60.0° |
| C20 | C19 | C21 | H41 | 178.1° | 59.9° |
| C21 | C19 | C20 | H36 | 57.9° | 54.0° |
| C21 | C19 | C20 | H37 | 178.0° | 65.9° |
| C21 | C19 | C20 | H38 | 62.1° | 174.1° |
| C19 | C21 | H39 | H40 | 120.0° | 120.0° |
| C19 | C21 | H39 | H41 | 120.0° | 120.1° |
| C19 | C21 | H40 | H41 | 120.0° | 119.9° |
| H35 | C19 | C20 | H36 | 61.2° | 174.0° |
| H35 | C19 | C20 | H37 | 58.8° | 54.1° |
| H35 | C19 | C20 | H38 | 178.8° | 65.9° |
| H35 | C19 | C21 | H39 | 61.3° | 59.9° |
| H35 | C19 | C21 | H40 | 178.8° | 60.1° |
| H35 | C19 | C21 | H41 | 58.8° | 180.0° |
| H36 | C20 | H37 | H38 | 120.0° | 120.1° |
| H39 | C21 | H40 | H41 | 120.0° | 120.0° |
| C22 | N6 | H42 | C18 | 180.0° | 179.9° |
| N6 | C22 | C23 | C24 | 119.7° | 120.0° |
| N6 | C22 | C23 | H43 | 121.1° | 119.9° |
| N6 | C22 | C24 | H43 | 122.0° | 120.0° |
| N6 | C22 | C23 | O4 | 31.6° | 0.1° |
| N6 | C22 | C24 | C25 | 57.6° | 65.0° |
| N6 | C22 | C24 | H44 | 63.2° | 55.0° |
| N6 | C22 | C24 | H45 | 178.4° | 175.0° |
| N6 | C22 | C23 | N8 | 148.4° | 180.0° |
| H42 | N6 | C22 | C23 | 108.9° | 24.9° |
| H42 | N6 | C22 | C24 | 9.2° | 95.0° |
| H42 | N6 | C22 | H43 | 130.6° | 144.9° |
| C23 | C22 | C24 | H43 | 119.4° | 120.1° |
| C22 | C23 | O4 | N8 | 180.0° | 179.9° |
| C23 | C22 | C24 | C25 | 176.3° | 175.0° |
| C23 | C22 | C24 | H44 | 55.5° | 64.9° |
| C23 | C22 | C24 | H45 | 63.0° | 55.0° |
| C22 | C23 | N8 | C28 | 177.4° | 180.0° |
| C22 | C23 | N8 | H55 | 2.6° | 0.1° |
| C23 | C22 | N6 | C18 | 71.1° | 155.0° |
| C24 | C22 | C23 | O4 | 88.1° | 120.0° |
| C22 | C24 | C25 | H44 | 120.8° | 120.0° |
| C22 | C24 | C25 | H45 | 120.8° | 120.0° |
| C22 | C24 | H44 | H45 | 117.6° | 120.0° |
| C22 | C24 | C25 | C26 | 165.0° | 180.0° |
| C22 | C24 | C25 | H46 | 74.9° | 59.9° |
| C22 | C24 | C25 | H47 | 45.0° | 60.0° |
| C24 | C22 | C23 | N8 | 91.9° | 60.1° |
| C24 | C22 | N6 | C18 | 170.8° | 85.0° |
| H43 | C22 | C23 | O4 | 152.6° | 119.9° |
| H43 | C22 | C24 | C25 | 64.3° | 54.9° |
| H43 | C22 | C24 | H44 | 174.9° | 175.0° |
| H43 | C22 | C24 | H45 | 56.4° | 65.0° |
| H43 | C22 | C23 | N8 | 27.4° | 60.0° |
| H43 | C22 | N6 | C18 | 49.4° | 35.0° |
| O4 | C23 | N8 | C28 | 2.6° | 0.1° |
| O4 | C23 | N8 | H55 | 177.4° | 179.9° |
| C25 | C24 | H44 | H45 | 117.5° | 120.0° |
| C24 | C25 | C26 | H46 | 120.1° | 120.0° |
| C24 | C25 | C26 | H47 | 120.1° | 119.9° |
| C24 | C25 | H46 | H47 | 119.8° | 119.9° |
| C24 | C25 | C26 | C27 | 179.8° | 180.0° |
| C24 | C25 | C26 | H48 | 59.6° | 59.9° |
| C24 | C25 | C26 | H49 | 60.0° | 60.0° |
| H44 | C24 | C25 | C26 | 44.2° | 60.0° |
| H44 | C24 | C25 | H46 | 164.3° | 180.0° |
| H44 | C24 | C25 | H47 | 75.8° | 60.0° |
| H45 | C24 | C25 | C26 | 74.2° | 60.0° |
| H45 | C24 | C25 | H46 | 45.9° | 60.0° |
| H45 | C24 | C25 | H47 | 165.7° | 180.0° |
| C26 | C25 | H46 | H47 | 119.8° | 120.0° |
| C25 | C26 | C27 | H48 | 120.2° | 120.0° |
| C25 | C26 | C27 | H49 | 120.2° | 120.0° |
| C25 | C26 | H48 | H49 | 119.5° | 120.0° |
| C25 | C26 | C27 | N7 | 178.3° | 180.0° |
| C25 | C26 | C27 | H50 | 61.6° | 59.9° |
| C25 | C26 | C27 | H51 | 58.2° | 60.0° |
| H46 | C25 | C26 | C27 | 60.1° | 60.0° |
| H46 | C25 | C26 | H48 | 179.7° | 179.9° |
| H46 | C25 | C26 | H49 | 60.1° | 60.0° |
| H47 | C25 | C26 | C27 | 59.7° | 60.0° |
| H47 | C25 | C26 | H48 | 60.4° | 60.0° |
| H47 | C25 | C26 | H49 | 179.9° | 179.9° |
| C27 | C26 | H48 | H49 | 119.4° | 119.9° |
| C26 | C27 | N7 | H50 | 120.1° | 120.0° |
| C26 | C27 | N7 | H51 | 120.1° | 120.0° |
| C26 | C27 | H50 | H51 | 119.7° | 119.9° |
| C26 | C27 | N7 | H52 | 180.0° | 60.0° |
| C26 | C27 | N7 | H53 | 60.0° | 180.0° |
| C26 | C27 | N7 | H54 | 60.0° | 60.0° |
| H48 | C26 | C27 | N7 | 58.1° | 60.0° |
| H48 | C26 | C27 | H50 | 178.2° | 180.0° |
| H48 | C26 | C27 | H51 | 62.0° | 60.0° |
| H49 | C26 | C27 | N7 | 61.5° | 60.0° |
| H49 | C26 | C27 | H50 | 58.6° | 60.1° |
| H49 | C26 | C27 | H51 | 178.4° | 179.9° |
| N7 | C27 | H50 | H51 | 119.7° | 120.1° |
| C27 | N7 | H52 | H53 | 120.0° | 120.0° |
| C27 | N7 | H52 | H54 | 120.0° | 120.0° |
| C27 | N7 | H53 | H54 | 120.0° | 120.0° |
| H50 | C27 | N7 | H52 | 59.9° | 60.0° |
| H50 | C27 | N7 | H53 | 179.9° | 60.1° |
| H50 | C27 | N7 | H54 | 60.1° | 180.0° |
| H51 | C27 | N7 | H52 | 59.9° | 179.9° |
| H51 | C27 | N7 | H53 | 60.1° | 60.0° |
| H51 | C27 | N7 | H54 | 179.9° | 60.0° |
| H52 | N7 | H53 | H54 | 120.0° | 119.9° |
| C28 | N8 | H55 | C23 | 180.0° | 179.9° |
| N8 | C28 | C29 | C30 | 122.7° | 120.0° |
| N8 | C28 | C29 | H56 | 119.2° | 120.0° |
| N8 | C28 | C30 | H56 | 119.2° | 120.0° |
| N8 | C28 | C29 | O5 | 158.6° | 179.9° |
| N8 | C28 | C29 | H57 | 80.3° | 60.0° |
| N8 | C28 | C30 | C31 | 67.3° | 65.0° |
| N8 | C28 | C30 | H59 | 53.2° | 55.1° |
| N8 | C28 | C30 | H60 | 172.2° | 175.0° |
| N8 | C28 | C29 | C34 | 38.6° | 60.0° |
| H55 | N8 | C28 | C29 | 60.1° | 95.0° |
| H55 | N8 | C28 | C30 | 62.6° | 25.0° |
| H55 | N8 | C28 | H56 | 178.7° | 145.0° |
| C29 | C28 | C30 | H56 | 118.1° | 120.0° |
| C28 | C29 | O5 | H57 | 119.8° | 119.9° |
| C28 | C29 | O5 | C34 | 120.1° | 120.0° |
| C28 | C29 | H57 | C34 | 119.5° | 120.0° |
| C28 | C29 | O5 | H58 | 180.0° | 60.0° |
| C29 | C28 | C30 | C31 | 170.1° | 175.0° |
| C29 | C28 | C30 | H59 | 69.4° | 64.9° |
| C29 | C28 | C30 | H60 | 49.5° | 55.0° |
| C28 | C29 | C34 | CL1 | 35.7° | 175.0° |
| C28 | C29 | C34 | H70 | 74.1° | 55.0° |
| C28 | C29 | C34 | H71 | 145.6° | 65.0° |
| C29 | C28 | N8 | C23 | 119.9° | 85.0° |
| C30 | C28 | C29 | O5 | 78.7° | 60.0° |
| C30 | C28 | C29 | H57 | 42.3° | 59.9° |
| C28 | C30 | C31 | H59 | 120.5° | 120.1° |
| C28 | C30 | C31 | H60 | 120.5° | 120.0° |
| C28 | C30 | H59 | H60 | 118.4° | 119.9° |
| C28 | C30 | C31 | C32 | 168.5° | 180.0° |
| C28 | C30 | C31 | H61 | 70.8° | 59.9° |
| C28 | C30 | C31 | H62 | 47.8° | 60.0° |
| C30 | C28 | N8 | C23 | 117.4° | 155.0° |
| C30 | C28 | C29 | C34 | 161.3° | 180.0° |
| H56 | C28 | C29 | O5 | 39.4° | 60.0° |
| H56 | C28 | C29 | H57 | 160.4° | 179.9° |
| H56 | C28 | C30 | C31 | 51.9° | 55.0° |
| H56 | C28 | C30 | H59 | 172.4° | 175.0° |
| H56 | C28 | C30 | H60 | 68.6° | 65.0° |
| H56 | C28 | N8 | C23 | 1.3° | 35.1° |
| H56 | C28 | C29 | C34 | 80.6° | 60.0° |
| O5 | C29 | H57 | C34 | 120.7° | 120.1° |
| O5 | C29 | C34 | CL1 | 83.8° | 65.0° |
| O5 | C29 | C34 | H70 | 166.3° | 175.0° |
| O5 | C29 | C34 | H71 | 26.0° | 55.0° |
| H57 | C29 | O5 | H58 | 60.2° | 59.9° |
| H57 | C29 | C34 | CL1 | 154.8° | 55.0° |
| H57 | C29 | C34 | H70 | 44.9° | 65.0° |
| H57 | C29 | C34 | H71 | 95.4° | 175.0° |
| H58 | O5 | C29 | C34 | 59.9° | 180.0° |
| C31 | C30 | H59 | H60 | 118.5° | 120.0° |
| C30 | C31 | C32 | H61 | 120.7° | 120.0° |
| C30 | C31 | C32 | H62 | 120.7° | 120.0° |
| C30 | C31 | H61 | H62 | 117.9° | 119.9° |
| C30 | C31 | C32 | N9 | 177.7° | 180.0° |
| C30 | C31 | C32 | H63 | 57.6° | 60.0° |
| C30 | C31 | C32 | H64 | 62.2° | 60.0° |
| H59 | C30 | C31 | C32 | 48.0° | 60.0° |
| H59 | C30 | C31 | H61 | 168.7° | 180.0° |
| H59 | C30 | C31 | H62 | 72.7° | 60.1° |
| H60 | C30 | C31 | C32 | 71.0° | 60.0° |
| H60 | C30 | C31 | H61 | 49.7° | 60.0° |
| H60 | C30 | C31 | H62 | 168.3° | 180.0° |
| C32 | C31 | H61 | H62 | 117.9° | 120.1° |
| C31 | C32 | N9 | H63 | 120.1° | 120.0° |
| C31 | C32 | N9 | H64 | 120.1° | 120.0° |
| C31 | C32 | H63 | H64 | 119.6° | 120.0° |
| C31 | C32 | N9 | C33 | 164.7° | 180.0° |
| C31 | C32 | N9 | H65 | 15.3° | 0.1° |
| H61 | C31 | C32 | N9 | 61.6° | 60.0° |
| H61 | C31 | C32 | H63 | 178.3° | 180.0° |
| H61 | C31 | C32 | H64 | 58.5° | 60.0° |
| H62 | C31 | C32 | N9 | 57.1° | 60.0° |
| H62 | C31 | C32 | H63 | 63.1° | 60.0° |
| H62 | C31 | C32 | H64 | 177.2° | 180.0° |
| N9 | C32 | H63 | H64 | 119.6° | 120.0° |
| C32 | N9 | C33 | H65 | 180.0° | 179.9° |
| C32 | N9 | C33 | N10 | 179.8° | 0.1° |
| C32 | N9 | C33 | N11 | 0.5° | 180.0° |
| H63 | C32 | N9 | C33 | 44.5° | 60.1° |
| H63 | C32 | N9 | H65 | 135.5° | 120.0° |
| H64 | C32 | N9 | C33 | 75.2° | 60.0° |
| H64 | C32 | N9 | H65 | 104.8° | 119.9° |
| N9 | C33 | N10 | N11 | 179.3° | 179.9° |
| N9 | C33 | N10 | H66 | 179.3° | 0.1° |
| N9 | C33 | N11 | H67 | 179.3° | 0.0° |
| N9 | C33 | N11 | H68 | 0.7° | 180.0° |
| N9 | C33 | N10 | H69 | 0.7° | 180.0° |
| H65 | N9 | C33 | N10 | 0.2° | 180.0° |
| H65 | N9 | C33 | N11 | 179.5° | 0.1° |
| C33 | N10 | H66 | H69 | 180.0° | 180.0° |
| N10 | C33 | N11 | H67 | 0.0° | 180.0° |
| N10 | C33 | N11 | H68 | 180.0° | 0.0° |
| N11 | C33 | N10 | H66 | 0.0° | 180.0° |
| C33 | N11 | H67 | H68 | 180.0° | 180.0° |
| N11 | C33 | N10 | H69 | 180.0° | 0.0° |
| CL1 | C34 | H70 | H71 | 143.9° | 120.0° |
| CL1 | C34 | H70 | C29 | 72.1° | 120.0° |
| CL1 | C34 | H71 | C29 | 72.1° | 120.0° |
| H70 | C34 | H71 | C29 | 144.0° | 120.0° |
