PRD_002597
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C2 | C1 | sing | 1.53Å | 1.51Å | |
| C2 | C3 | sing | 1.53Å | 1.52Å | |
| C6 | C5 | sing | 1.53Å | 1.52Å | |
| C6 | C7 | sing | 1.53Å | 1.53Å | |
| C9 | O1 | doub | 1.21Å | 1.22Å | |
| C9 | C7 | sing | 1.51Å | 1.52Å | |
| C7 | C8 | sing | 1.53Å | 1.53Å | |
| C5 | C4 | sing | 1.53Å | 1.52Å | |
| C4 | C3 | sing | 1.53Å | 1.52Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C2 | H4 | sing | 1.09Å | 1.10Å | |
| C2 | H5 | sing | 1.09Å | 1.10Å | |
| C3 | H6 | sing | 1.09Å | 1.10Å | |
| C3 | H7 | sing | 1.09Å | 1.10Å | |
| C4 | H8 | sing | 1.09Å | 1.10Å | |
| C4 | H9 | sing | 1.09Å | 1.10Å | |
| C5 | H10 | sing | 1.09Å | 1.10Å | |
| C5 | H11 | sing | 1.09Å | 1.10Å | |
| C6 | H12 | sing | 1.09Å | 1.10Å | |
| C6 | H13 | sing | 1.09Å | 1.10Å | |
| C7 | H14 | sing | 1.09Å | 1.10Å | |
| C8 | H15 | sing | 1.09Å | 1.10Å | |
| C8 | H16 | sing | 1.09Å | 1.10Å | |
| C8 | H17 | sing | 1.09Å | 1.10Å | |
| N1 | C10 | sing | 1.47Å | 1.47Å | |
| N1 | C11 | sing | 1.47Å | 1.47Å | |
| C10 | H18 | sing | 1.09Å | 1.10Å | |
| C10 | H19 | sing | 1.09Å | 1.10Å | |
| C10 | H20 | sing | 1.09Å | 1.10Å | |
| C11 | C12 | sing | 1.53Å | 1.53Å | |
| C11 | C16 | sing | 1.51Å | 1.53Å | |
| C11 | H21 | sing | 1.09Å | 1.10Å | |
| C12 | C13 | sing | 1.53Å | 1.53Å | |
| C12 | H22 | sing | 1.09Å | 1.10Å | |
| C12 | H23 | sing | 1.09Å | 1.10Å | |
| C13 | C14 | sing | 1.53Å | 1.52Å | |
| C13 | C15 | sing | 1.53Å | 1.52Å | |
| C13 | H24 | sing | 1.09Å | 1.10Å | |
| C14 | H25 | sing | 1.09Å | 1.10Å | |
| C14 | H26 | sing | 1.09Å | 1.10Å | |
| C14 | H27 | sing | 1.09Å | 1.10Å | |
| C15 | H28 | sing | 1.09Å | 1.10Å | |
| C15 | H29 | sing | 1.09Å | 1.10Å | |
| C15 | H30 | sing | 1.09Å | 1.10Å | |
| C16 | O2 | doub | 1.21Å | 1.23Å | |
| C17 | C18 | sing | 1.51Å | 1.49Å | |
| C18 | O3 | doub | 1.21Å | 1.20Å | |
| C18 | O4 | sing | 1.34Å | 1.36Å | |
| O4 | C19 | sing | 1.45Å | 1.46Å | |
| C19 | C20 | sing | 1.53Å | 1.51Å | |
| C19 | C21 | sing | 1.53Å | 1.53Å | |
| C21 | C22 | sing | 1.51Å | 1.53Å | |
| C21 | N2 | sing | 1.46Å | 1.45Å | |
| C22 | O5 | doub | 1.21Å | 1.22Å | |
| C17 | H31 | sing | 1.09Å | 1.10Å | |
| C17 | H32 | sing | 1.09Å | 1.10Å | |
| C17 | H33 | sing | 1.09Å | 1.10Å | |
| C19 | H34 | sing | 1.09Å | 1.10Å | |
| C20 | H35 | sing | 1.09Å | 1.10Å | |
| C20 | H36 | sing | 1.09Å | 1.10Å | |
| C20 | H37 | sing | 1.09Å | 1.10Å | |
| C21 | H38 | sing | 1.09Å | 1.10Å | |
| N2 | H39 | sing | 0.97Å | 1.00Å | |
| N3 | C23 | sing | 1.46Å | 1.46Å | |
| N3 | C24 | sing | 1.47Å | 1.47Å | |
| C23 | H40 | sing | 1.09Å | 1.10Å | |
| C23 | H41 | sing | 1.09Å | 1.10Å | |
| C23 | H42 | sing | 1.09Å | 1.10Å | |
| C24 | C25 | sing | 1.53Å | 1.54Å | |
| C24 | C28 | sing | 1.51Å | 1.53Å | |
| C24 | H43 | sing | 1.09Å | 1.10Å | |
| C25 | C26 | sing | 1.53Å | 1.53Å | |
| C25 | C27 | sing | 1.53Å | 1.52Å | |
| C25 | H44 | sing | 1.09Å | 1.10Å | |
| C26 | H45 | sing | 1.09Å | 1.10Å | |
| C26 | H46 | sing | 1.09Å | 1.10Å | |
| C26 | H47 | sing | 1.09Å | 1.10Å | |
| C27 | H48 | sing | 1.09Å | 1.10Å | |
| C27 | H49 | sing | 1.09Å | 1.10Å | |
| C27 | H50 | sing | 1.09Å | 1.10Å | |
| C28 | O6 | doub | 1.21Å | 1.22Å | |
| C29 | N4 | sing | 1.47Å | 1.46Å | |
| N4 | C33 | sing | 1.47Å | 1.47Å | |
| C30 | C29 | sing | 1.51Å | 1.53Å | |
| C31 | C29 | sing | 1.54Å | 1.53Å | |
| C29 | H51 | sing | 1.09Å | 1.10Å | |
| C30 | O7 | doub | 1.21Å | 1.22Å | |
| C31 | C32 | sing | 1.55Å | 1.52Å | |
| C31 | H52 | sing | 1.09Å | 1.10Å | |
| C31 | H53 | sing | 1.09Å | 1.10Å | |
| O8 | C32 | sing | 1.43Å | 1.43Å | |
| C32 | C33 | sing | 1.55Å | 1.53Å | |
| C32 | H54 | sing | 1.09Å | 1.10Å | |
| C33 | H55 | sing | 1.09Å | 1.10Å | |
| C33 | H56 | sing | 1.09Å | 1.10Å | |
| O8 | H57 | sing | 0.97Å | 0.95Å | |
| C34 | C37 | sing | 1.51Å | 1.51Å | |
| C34 | C35 | sing | 1.55Å | 1.53Å | |
| O9 | C37 | doub | 1.21Å | 1.22Å | |
| C37 | N5 | sing | 1.34Å | 1.39Å | |
| C35 | C36 | sing | 1.54Å | 1.54Å | |
| N5 | C36 | sing | 1.47Å | 1.47Å | |
| C36 | C38 | sing | 1.53Å | 1.52Å | |
| C34 | H58 | sing | 1.09Å | 1.10Å | |
| C34 | H59 | sing | 1.09Å | 1.10Å | |
| C35 | H60 | sing | 1.09Å | 1.10Å | |
| C35 | H61 | sing | 1.09Å | 1.10Å | |
| C36 | H62 | sing | 1.09Å | 1.10Å | |
| C38 | H63 | sing | 1.09Å | 1.10Å | |
| C38 | H64 | sing | 1.09Å | 1.10Å | |
| C38 | H65 | sing | 1.09Å | 1.10Å | |
| C9 | N1 | sing | 1.35Å | 1.36Å | |
| C16 | N2 | sing | 1.35Å | 1.34Å | |
| C22 | N3 | sing | 1.35Å | 1.36Å | |
| C28 | N4 | sing | 1.35Å | 1.34Å | |
| C30 | N5 | sing | 1.35Å | 1.40Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | C2 | C3 | 113.0° | 109.5° |
| C2 | C1 | H1 | 109.5° | 109.4° |
| C2 | C1 | H2 | 109.5° | 109.5° |
| C2 | C1 | H3 | 109.5° | 109.5° |
| C1 | C2 | H4 | 108.6° | 109.5° |
| C1 | C2 | H5 | 108.6° | 109.4° |
| C2 | C3 | C4 | 114.0° | 109.5° |
| C3 | C2 | H4 | 108.6° | 109.5° |
| C3 | C2 | H5 | 108.6° | 109.4° |
| C2 | C3 | H6 | 108.4° | 109.5° |
| C2 | C3 | H7 | 108.3° | 109.4° |
| C5 | C6 | C7 | 114.7° | 109.5° |
| C6 | C5 | C4 | 113.8° | 109.5° |
| C6 | C5 | H10 | 108.4° | 109.5° |
| C6 | C5 | H11 | 108.4° | 109.5° |
| C5 | C6 | H12 | 108.2° | 109.5° |
| C5 | C6 | H13 | 108.1° | 109.4° |
| C6 | C7 | C9 | 110.2° | 109.5° |
| C6 | C7 | C8 | 111.3° | 109.5° |
| C7 | C6 | H12 | 108.1° | 109.5° |
| C7 | C6 | H13 | 108.2° | 109.5° |
| C6 | C7 | H14 | 108.8° | 109.5° |
| O1 | C9 | C7 | 119.6° | 120.0° |
| O1 | C9 | N1 | 121.3° | 120.0° |
| C9 | C7 | C8 | 108.8° | 109.5° |
| C9 | C7 | H14 | 108.9° | 109.4° |
| C7 | C9 | N1 | 119.1° | 120.0° |
| C8 | C7 | H14 | 108.8° | 109.4° |
| C7 | C8 | H15 | 109.5° | 109.5° |
| C7 | C8 | H16 | 109.5° | 109.5° |
| C7 | C8 | H17 | 109.4° | 109.5° |
| C5 | C4 | C3 | 113.5° | 109.5° |
| C5 | C4 | H8 | 108.4° | 109.5° |
| C5 | C4 | H9 | 108.5° | 109.5° |
| C4 | C5 | H10 | 108.4° | 109.5° |
| C4 | C5 | H11 | 108.4° | 109.5° |
| C4 | C3 | H6 | 108.3° | 109.5° |
| C4 | C3 | H7 | 108.3° | 109.5° |
| C3 | C4 | H8 | 108.5° | 109.4° |
| C3 | C4 | H9 | 108.5° | 109.5° |
| H1 | C1 | H2 | 109.5° | 109.4° |
| H1 | C1 | H3 | 109.5° | 109.5° |
| H2 | C1 | H3 | 109.5° | 109.5° |
| H4 | C2 | H5 | 109.5° | 109.5° |
| H6 | C3 | H7 | 109.5° | 109.5° |
| H8 | C4 | H9 | 109.5° | 109.5° |
| H10 | C5 | H11 | 109.4° | 109.5° |
| H12 | C6 | H13 | 109.5° | 109.5° |
| H15 | C8 | H16 | 109.5° | 109.4° |
| H15 | C8 | H17 | 109.5° | 109.5° |
| H16 | C8 | H17 | 109.5° | 109.5° |
| C10 | N1 | C11 | 117.3° | 120.0° |
| N1 | C10 | H18 | 109.5° | 109.5° |
| N1 | C10 | H19 | 109.4° | 109.4° |
| N1 | C10 | H20 | 109.4° | 109.5° |
| C10 | N1 | C9 | 125.7° | 120.0° |
| N1 | C11 | C12 | 114.0° | 109.5° |
| N1 | C11 | C16 | 110.0° | 109.5° |
| N1 | C11 | H21 | 106.8° | 109.5° |
| C11 | N1 | C9 | 116.9° | 120.0° |
| H18 | C10 | H19 | 109.5° | 109.5° |
| H18 | C10 | H20 | 109.5° | 109.5° |
| H19 | C10 | H20 | 109.5° | 109.5° |
| C12 | C11 | C16 | 113.2° | 109.4° |
| C12 | C11 | H21 | 106.1° | 109.5° |
| C11 | C12 | C13 | 115.7° | 109.4° |
| C11 | C12 | H22 | 107.9° | 109.5° |
| C11 | C12 | H23 | 107.9° | 109.4° |
| C16 | C11 | H21 | 106.2° | 109.5° |
| C11 | C16 | O2 | 121.4° | 120.0° |
| C11 | C16 | N2 | 115.3° | 120.0° |
| C13 | C12 | H22 | 107.9° | 109.5° |
| C13 | C12 | H23 | 107.9° | 109.5° |
| C12 | C13 | C14 | 112.2° | 109.5° |
| C12 | C13 | C15 | 111.0° | 109.5° |
| C12 | C13 | H24 | 107.5° | 109.5° |
| H22 | C12 | H23 | 109.5° | 109.5° |
| C14 | C13 | C15 | 110.6° | 109.5° |
| C14 | C13 | H24 | 107.6° | 109.4° |
| C13 | C14 | H25 | 109.5° | 109.4° |
| C13 | C14 | H26 | 109.4° | 109.5° |
| C13 | C14 | H27 | 109.5° | 109.5° |
| C15 | C13 | H24 | 107.6° | 109.4° |
| C13 | C15 | H28 | 109.5° | 109.5° |
| C13 | C15 | H29 | 109.5° | 109.5° |
| C13 | C15 | H30 | 109.5° | 109.5° |
| H25 | C14 | H26 | 109.5° | 109.4° |
| H25 | C14 | H27 | 109.5° | 109.4° |
| H26 | C14 | H27 | 109.5° | 109.5° |
| H28 | C15 | H29 | 109.5° | 109.4° |
| H28 | C15 | H30 | 109.4° | 109.5° |
| H29 | C15 | H30 | 109.5° | 109.5° |
| O2 | C16 | N2 | 123.4° | 120.0° |
| C17 | C18 | O3 | 124.9° | 120.0° |
| C17 | C18 | O4 | 112.7° | 120.0° |
| C18 | C17 | H31 | 109.5° | 109.5° |
| C18 | C17 | H32 | 109.5° | 109.5° |
| C18 | C17 | H33 | 109.5° | 109.5° |
| O3 | C18 | O4 | 122.3° | 119.9° |
| C18 | O4 | C19 | 120.4° | 117.0° |
| O4 | C19 | C20 | 107.6° | 109.5° |
| O4 | C19 | C21 | 104.3° | 109.4° |
| O4 | C19 | H34 | 111.1° | 109.5° |
| C20 | C19 | C21 | 113.1° | 109.5° |
| C20 | C19 | H34 | 110.4° | 109.4° |
| C19 | C20 | H35 | 109.5° | 109.5° |
| C19 | C20 | H36 | 109.5° | 109.5° |
| C19 | C20 | H37 | 109.5° | 109.5° |
| C19 | C21 | C22 | 110.4° | 109.4° |
| C19 | C21 | N2 | 110.8° | 109.5° |
| C21 | C19 | H34 | 110.1° | 109.5° |
| C19 | C21 | H38 | 109.4° | 109.4° |
| C22 | C21 | N2 | 106.4° | 109.5° |
| C21 | C22 | O5 | 118.9° | 120.0° |
| C22 | C21 | H38 | 109.4° | 109.5° |
| C21 | C22 | N3 | 119.5° | 120.0° |
| N2 | C21 | H38 | 110.4° | 109.5° |
| C21 | N2 | H39 | 118.5° | 120.0° |
| C21 | N2 | C16 | 122.9° | 120.0° |
| O5 | C22 | N3 | 121.6° | 120.0° |
| H31 | C17 | H32 | 109.5° | 109.5° |
| H31 | C17 | H33 | 109.5° | 109.4° |
| H32 | C17 | H33 | 109.4° | 109.5° |
| H35 | C20 | H36 | 109.5° | 109.5° |
| H35 | C20 | H37 | 109.5° | 109.5° |
| H36 | C20 | H37 | 109.5° | 109.5° |
| H39 | N2 | C16 | 118.6° | 120.0° |
| C23 | N3 | C24 | 118.5° | 120.0° |
| N3 | C23 | H40 | 109.5° | 109.5° |
| N3 | C23 | H41 | 109.4° | 109.5° |
| N3 | C23 | H42 | 109.5° | 109.5° |
| C23 | N3 | C22 | 125.0° | 120.0° |
| N3 | C24 | C25 | 113.7° | 109.5° |
| N3 | C24 | C28 | 107.6° | 109.4° |
| N3 | C24 | H43 | 108.6° | 109.5° |
| C24 | N3 | C22 | 116.6° | 120.0° |
| H40 | C23 | H41 | 109.5° | 109.4° |
| H40 | C23 | H42 | 109.5° | 109.5° |
| H41 | C23 | H42 | 109.5° | 109.5° |
| C25 | C24 | C28 | 111.1° | 109.5° |
| C25 | C24 | H43 | 107.8° | 109.5° |
| C24 | C25 | C26 | 110.8° | 109.5° |
| C24 | C25 | C27 | 110.3° | 109.5° |
| C24 | C25 | H44 | 108.4° | 109.5° |
| C28 | C24 | H43 | 107.9° | 109.4° |
| C24 | C28 | O6 | 119.8° | 120.0° |
| C24 | C28 | N4 | 118.8° | 120.0° |
| C26 | C25 | C27 | 110.1° | 109.5° |
| C26 | C25 | H44 | 108.6° | 109.4° |
| C25 | C26 | H45 | 109.5° | 109.4° |
| C25 | C26 | H46 | 109.4° | 109.4° |
| C25 | C26 | H47 | 109.4° | 109.5° |
| C27 | C25 | H44 | 108.7° | 109.5° |
| C25 | C27 | H48 | 109.5° | 109.5° |
| C25 | C27 | H49 | 109.4° | 109.4° |
| C25 | C27 | H50 | 109.5° | 109.5° |
| H45 | C26 | H46 | 109.5° | 109.5° |
| H45 | C26 | H47 | 109.4° | 109.5° |
| H46 | C26 | H47 | 109.5° | 109.5° |
| H48 | C27 | H49 | 109.5° | 109.5° |
| H48 | C27 | H50 | 109.5° | 109.5° |
| H49 | C27 | H50 | 109.4° | 109.5° |
| O6 | C28 | N4 | 121.4° | 120.0° |
| C29 | N4 | C33 | 112.0° | 108.7° |
| N4 | C29 | C30 | 111.0° | 109.8° |
| N4 | C29 | C31 | 101.9° | 107.3° |
| N4 | C29 | H51 | 111.5° | 109.8° |
| C29 | N4 | C28 | 121.7° | 125.7° |
| N4 | C33 | C32 | 103.9° | 104.9° |
| N4 | C33 | H55 | 110.8° | 110.3° |
| N4 | C33 | H56 | 110.8° | 110.4° |
| C33 | N4 | C28 | 126.3° | 125.6° |
| C30 | C29 | C31 | 111.2° | 110.0° |
| C30 | C29 | H51 | 110.5° | 109.9° |
| C29 | C30 | O7 | 122.0° | 120.0° |
| C29 | C30 | N5 | 118.8° | 119.9° |
| C31 | C29 | H51 | 110.5° | 109.9° |
| C29 | C31 | C32 | 103.0° | 103.0° |
| C29 | C31 | H52 | 111.1° | 110.7° |
| C29 | C31 | H53 | 111.1° | 110.6° |
| O7 | C30 | N5 | 119.1° | 120.0° |
| C32 | C31 | H52 | 111.0° | 110.7° |
| C32 | C31 | H53 | 111.0° | 110.7° |
| C31 | C32 | O8 | 111.0° | 111.0° |
| C31 | C32 | C33 | 104.4° | 101.6° |
| C31 | C32 | H54 | 109.9° | 111.0° |
| H52 | C31 | H53 | 109.5° | 110.8° |
| O8 | C32 | C33 | 110.2° | 111.1° |
| O8 | C32 | H54 | 111.3° | 110.9° |
| C32 | O8 | H57 | 109.5° | 114.0° |
| C33 | C32 | H54 | 109.8° | 110.8° |
| C32 | C33 | H55 | 110.8° | 110.3° |
| C32 | C33 | H56 | 110.8° | 110.2° |
| H55 | C33 | H56 | 109.5° | 110.5° |
| C37 | C34 | C35 | 103.9° | 104.2° |
| C34 | C37 | O9 | 127.5° | 124.9° |
| C34 | C37 | N5 | 107.8° | 110.1° |
| C37 | C34 | H58 | 110.9° | 110.5° |
| C37 | C34 | H59 | 110.8° | 110.5° |
| C34 | C35 | C36 | 103.8° | 101.8° |
| C35 | C34 | H58 | 110.8° | 110.5° |
| C35 | C34 | H59 | 110.9° | 110.5° |
| C34 | C35 | H60 | 110.9° | 111.0° |
| C34 | C35 | H61 | 110.9° | 111.0° |
| O9 | C37 | N5 | 124.7° | 125.0° |
| C37 | N5 | C36 | 112.3° | 111.3° |
| C37 | N5 | C30 | 127.8° | 124.4° |
| C35 | C36 | N5 | 101.2° | 105.5° |
| C35 | C36 | C38 | 112.3° | 110.3° |
| C36 | C35 | H60 | 110.9° | 110.9° |
| C36 | C35 | H61 | 110.9° | 111.0° |
| C35 | C36 | H62 | 110.2° | 110.2° |
| N5 | C36 | C38 | 111.3° | 110.3° |
| N5 | C36 | H62 | 111.1° | 110.3° |
| C36 | N5 | C30 | 119.9° | 124.3° |
| C38 | C36 | H62 | 110.4° | 110.2° |
| C36 | C38 | H63 | 109.5° | 109.4° |
| C36 | C38 | H64 | 109.4° | 109.5° |
| C36 | C38 | H65 | 109.4° | 109.4° |
| H58 | C34 | H59 | 109.5° | 110.5° |
| H60 | C35 | H61 | 109.5° | 110.9° |
| H63 | C38 | H64 | 109.5° | 109.5° |
| H63 | C38 | H65 | 109.5° | 109.5° |
| H64 | C38 | H65 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | C2 | C3 | H4 | 120.5° | 120.0° |
| C1 | C2 | C3 | H5 | 120.6° | 119.9° |
| C1 | C2 | C3 | C4 | 173.6° | 180.0° |
| C2 | C1 | H1 | H2 | 120.0° | 120.0° |
| C2 | C1 | H1 | H3 | 120.0° | 120.0° |
| C2 | C1 | H2 | H3 | 120.0° | 120.0° |
| C1 | C2 | H4 | H5 | 118.4° | 120.0° |
| C1 | C2 | C3 | H6 | 65.7° | 60.0° |
| C1 | C2 | C3 | H7 | 52.9° | 60.0° |
| C2 | C3 | C4 | C5 | 62.0° | 180.0° |
| C2 | C3 | C4 | H6 | 120.7° | 120.0° |
| C2 | C3 | C4 | H7 | 120.7° | 119.9° |
| C3 | C2 | C1 | H1 | 180.0° | 60.0° |
| C3 | C2 | C1 | H2 | 60.0° | 179.9° |
| C3 | C2 | C1 | H3 | 60.0° | 60.0° |
| C3 | C2 | H4 | H5 | 118.4° | 120.0° |
| C2 | C3 | H6 | H7 | 117.9° | 120.0° |
| C2 | C3 | C4 | H8 | 58.6° | 60.0° |
| C2 | C3 | C4 | H9 | 177.4° | 60.0° |
| C5 | C6 | C7 | H12 | 120.8° | 120.0° |
| C5 | C6 | C7 | H13 | 120.7° | 120.0° |
| C5 | C6 | C7 | C9 | 53.1° | 175.0° |
| C5 | C6 | C7 | C8 | 173.9° | 65.0° |
| C6 | C5 | C4 | H10 | 120.7° | 120.0° |
| C6 | C5 | C4 | H11 | 120.6° | 120.0° |
| C6 | C5 | C4 | C3 | 109.0° | 180.0° |
| C6 | C5 | C4 | H8 | 11.7° | 60.0° |
| C6 | C5 | C4 | H9 | 130.4° | 60.0° |
| C6 | C5 | H10 | H11 | 118.0° | 120.0° |
| C5 | C6 | H12 | H13 | 117.6° | 120.0° |
| C5 | C6 | C7 | H14 | 66.2° | 55.0° |
| C6 | C7 | C9 | O1 | 36.1° | 0.0° |
| C6 | C7 | C9 | C8 | 122.3° | 120.0° |
| C6 | C7 | C9 | H14 | 119.2° | 120.0° |
| C6 | C7 | C8 | H14 | 119.8° | 120.0° |
| C7 | C6 | C5 | C4 | 65.7° | 180.0° |
| C7 | C6 | C5 | H10 | 55.0° | 60.0° |
| C7 | C6 | C5 | H11 | 173.6° | 60.0° |
| C7 | C6 | H12 | H13 | 117.6° | 120.0° |
| C6 | C7 | C8 | H15 | 180.0° | 60.0° |
| C6 | C7 | C8 | H16 | 60.0° | 180.0° |
| C6 | C7 | C8 | H17 | 60.0° | 60.0° |
| C6 | C7 | C9 | N1 | 144.4° | 180.0° |
| O1 | C9 | C7 | N1 | 179.5° | 180.0° |
| O1 | C9 | C7 | C8 | 86.2° | 120.0° |
| O1 | C9 | C7 | H14 | 155.4° | 120.0° |
| O1 | C9 | N1 | C10 | 179.3° | 180.0° |
| O1 | C9 | N1 | C11 | 1.9° | 0.0° |
| C9 | C7 | C8 | H14 | 118.5° | 119.9° |
| C9 | C7 | C6 | H12 | 173.9° | 65.0° |
| C9 | C7 | C6 | H13 | 67.7° | 55.0° |
| C9 | C7 | C8 | H15 | 58.4° | 60.0° |
| C9 | C7 | C8 | H16 | 178.4° | 60.0° |
| C9 | C7 | C8 | H17 | 61.6° | 180.0° |
| C7 | C9 | N1 | C10 | 0.2° | 0.0° |
| C7 | C9 | N1 | C11 | 177.6° | 180.0° |
| C8 | C7 | C6 | H12 | 65.3° | 55.0° |
| C8 | C7 | C6 | H13 | 53.1° | 175.0° |
| C7 | C8 | H15 | H16 | 120.0° | 120.0° |
| C7 | C8 | H15 | H17 | 120.0° | 120.0° |
| C7 | C8 | H16 | H17 | 120.0° | 120.0° |
| C8 | C7 | C9 | N1 | 93.3° | 60.0° |
| C5 | C4 | C3 | H8 | 120.6° | 120.0° |
| C5 | C4 | C3 | H9 | 120.6° | 120.1° |
| C5 | C4 | C3 | H6 | 58.7° | 60.0° |
| C5 | C4 | C3 | H7 | 177.4° | 60.0° |
| C5 | C4 | H8 | H9 | 118.1° | 120.1° |
| C4 | C5 | H10 | H11 | 118.0° | 120.0° |
| C4 | C5 | C6 | H12 | 55.1° | 60.0° |
| C4 | C5 | C6 | H13 | 173.5° | 60.0° |
| C4 | C3 | C2 | H4 | 53.1° | 60.0° |
| C4 | C3 | C2 | H5 | 65.8° | 60.1° |
| C4 | C3 | H6 | H7 | 117.9° | 120.0° |
| C3 | C4 | H8 | H9 | 118.2° | 120.0° |
| C3 | C4 | C5 | H10 | 130.4° | 60.0° |
| C3 | C4 | C5 | H11 | 11.7° | 60.0° |
| H1 | C1 | H2 | H3 | 120.0° | 120.0° |
| H1 | C1 | C2 | H4 | 59.5° | 180.0° |
| H1 | C1 | C2 | H5 | 59.5° | 60.0° |
| H2 | C1 | C2 | H4 | 60.5° | 60.0° |
| H2 | C1 | C2 | H5 | 179.4° | 60.0° |
| H3 | C1 | C2 | H4 | 179.5° | 60.0° |
| H3 | C1 | C2 | H5 | 60.6° | 180.0° |
| H4 | C2 | C3 | H6 | 173.8° | 180.0° |
| H4 | C2 | C3 | H7 | 67.6° | 60.0° |
| H5 | C2 | C3 | H6 | 54.8° | 60.0° |
| H5 | C2 | C3 | H7 | 173.5° | 180.0° |
| H6 | C3 | C4 | H8 | 179.3° | 180.0° |
| H6 | C3 | C4 | H9 | 61.9° | 60.1° |
| H7 | C3 | C4 | H8 | 62.0° | 59.9° |
| H7 | C3 | C4 | H9 | 56.8° | 179.9° |
| H8 | C4 | C5 | H10 | 109.0° | 180.0° |
| H8 | C4 | C5 | H11 | 132.3° | 60.0° |
| H9 | C4 | C5 | H10 | 9.8° | 60.0° |
| H9 | C4 | C5 | H11 | 108.9° | 180.0° |
| H10 | C5 | C6 | H12 | 175.7° | 180.0° |
| H10 | C5 | C6 | H13 | 65.8° | 60.0° |
| H11 | C5 | C6 | H12 | 65.6° | 60.0° |
| H11 | C5 | C6 | H13 | 52.9° | 180.0° |
| H12 | C6 | C7 | H14 | 54.6° | 175.0° |
| H13 | C6 | C7 | H14 | 173.0° | 65.0° |
| H14 | C7 | C8 | H15 | 60.2° | 180.0° |
| H14 | C7 | C8 | H16 | 59.8° | 60.0° |
| H14 | C7 | C8 | H17 | 179.8° | 60.0° |
| H14 | C7 | C9 | N1 | 25.1° | 60.0° |
| H15 | C8 | H16 | H17 | 120.0° | 120.0° |
| C10 | N1 | C11 | C9 | 177.6° | 180.0° |
| N1 | C10 | H18 | H19 | 120.0° | 119.9° |
| N1 | C10 | H18 | H20 | 120.0° | 120.0° |
| N1 | C10 | H19 | H20 | 120.0° | 120.0° |
| C10 | N1 | C11 | C12 | 57.5° | 60.0° |
| C10 | N1 | C11 | C16 | 70.9° | 60.0° |
| C10 | N1 | C11 | H21 | 174.3° | 180.0° |
| C11 | N1 | C10 | H18 | 180.0° | 90.0° |
| C11 | N1 | C10 | H19 | 60.0° | 30.0° |
| C11 | N1 | C10 | H20 | 60.0° | 150.0° |
| N1 | C11 | C12 | C16 | 126.7° | 120.0° |
| N1 | C11 | C12 | H21 | 117.2° | 120.0° |
| N1 | C11 | C16 | H21 | 115.2° | 120.0° |
| N1 | C11 | C12 | C13 | 85.4° | 65.0° |
| N1 | C11 | C12 | H22 | 35.5° | 55.0° |
| N1 | C11 | C12 | H23 | 153.7° | 175.0° |
| N1 | C11 | C16 | O2 | 124.8° | 0.0° |
| N1 | C11 | C16 | N2 | 54.4° | 180.0° |
| H18 | C10 | H19 | H20 | 120.0° | 120.0° |
| H18 | C10 | N1 | C9 | 2.6° | 90.0° |
| H19 | C10 | N1 | C9 | 117.4° | 150.0° |
| H20 | C10 | N1 | C9 | 122.6° | 30.0° |
| C12 | C11 | C16 | H21 | 116.0° | 120.0° |
| C11 | C12 | C13 | H22 | 120.9° | 120.0° |
| C11 | C12 | C13 | H23 | 120.9° | 119.9° |
| C11 | C12 | H22 | H23 | 117.2° | 120.0° |
| C11 | C12 | C13 | C14 | 35.7° | 175.0° |
| C11 | C12 | C13 | C15 | 88.6° | 65.0° |
| C11 | C12 | C13 | H24 | 153.9° | 55.0° |
| C12 | C11 | C16 | O2 | 4.0° | 120.0° |
| C12 | C11 | N1 | C9 | 124.9° | 120.0° |
| C12 | C11 | C16 | N2 | 176.8° | 60.0° |
| C16 | C11 | C12 | C13 | 147.9° | 175.0° |
| C16 | C11 | C12 | H22 | 91.2° | 65.0° |
| C16 | C11 | C12 | H23 | 27.0° | 55.1° |
| C11 | C16 | O2 | N2 | 179.1° | 180.0° |
| C11 | C16 | N2 | C21 | 178.5° | 180.0° |
| C11 | C16 | N2 | H39 | 1.5° | 0.0° |
| C16 | C11 | N1 | C9 | 106.7° | 120.0° |
| H21 | C11 | C12 | C13 | 31.9° | 55.0° |
| H21 | C11 | C12 | H22 | 152.8° | 175.0° |
| H21 | C11 | C12 | H23 | 89.0° | 64.9° |
| H21 | C11 | C16 | O2 | 120.0° | 120.0° |
| H21 | C11 | N1 | C9 | 8.0° | 0.0° |
| H21 | C11 | C16 | N2 | 60.8° | 60.0° |
| C13 | C12 | H22 | H23 | 117.1° | 120.0° |
| C12 | C13 | C14 | C15 | 124.6° | 120.0° |
| C12 | C13 | C14 | H24 | 118.1° | 120.1° |
| C12 | C13 | C15 | H24 | 117.5° | 120.1° |
| C12 | C13 | C14 | H25 | 180.0° | 60.0° |
| C12 | C13 | C14 | H26 | 60.0° | 179.9° |
| C12 | C13 | C14 | H27 | 60.0° | 60.0° |
| C12 | C13 | C15 | H28 | 180.0° | 60.0° |
| C12 | C13 | C15 | H29 | 60.0° | 60.0° |
| C12 | C13 | C15 | H30 | 60.0° | 180.0° |
| H22 | C12 | C13 | C14 | 85.2° | 55.0° |
| H22 | C12 | C13 | C15 | 150.5° | 175.0° |
| H22 | C12 | C13 | H24 | 33.0° | 65.0° |
| H23 | C12 | C13 | C14 | 156.6° | 65.1° |
| H23 | C12 | C13 | C15 | 32.3° | 54.9° |
| H23 | C12 | C13 | H24 | 85.2° | 174.9° |
| C14 | C13 | C15 | H24 | 117.3° | 119.9° |
| C13 | C14 | H25 | H26 | 120.0° | 120.0° |
| C13 | C14 | H25 | H27 | 120.0° | 120.0° |
| C13 | C14 | H26 | H27 | 120.0° | 120.1° |
| C14 | C13 | C15 | H28 | 54.7° | 60.0° |
| C14 | C13 | C15 | H29 | 174.7° | 180.0° |
| C14 | C13 | C15 | H30 | 65.2° | 59.9° |
| C15 | C13 | C14 | H25 | 55.4° | 60.0° |
| C15 | C13 | C14 | H26 | 64.6° | 59.9° |
| C15 | C13 | C14 | H27 | 175.4° | 180.0° |
| C13 | C15 | H28 | H29 | 120.0° | 120.0° |
| C13 | C15 | H28 | H30 | 120.0° | 120.0° |
| C13 | C15 | H29 | H30 | 120.0° | 120.1° |
| H24 | C13 | C14 | H25 | 61.9° | 179.9° |
| H24 | C13 | C14 | H26 | 178.1° | 60.0° |
| H24 | C13 | C14 | H27 | 58.1° | 60.1° |
| H24 | C13 | C15 | H28 | 62.6° | 179.9° |
| H24 | C13 | C15 | H29 | 57.4° | 60.1° |
| H24 | C13 | C15 | H30 | 177.5° | 60.0° |
| H25 | C14 | H26 | H27 | 120.0° | 120.0° |
| H28 | C15 | H29 | H30 | 120.0° | 120.0° |
| O2 | C16 | N2 | C21 | 2.3° | 0.0° |
| O2 | C16 | N2 | H39 | 177.7° | 180.0° |
| C17 | C18 | O3 | O4 | 178.7° | 180.0° |
| C17 | C18 | O4 | C19 | 5.7° | 180.0° |
| C18 | C17 | H31 | H32 | 120.0° | 120.0° |
| C18 | C17 | H31 | H33 | 120.0° | 120.0° |
| C18 | C17 | H32 | H33 | 120.0° | 120.0° |
| O3 | C18 | O4 | C19 | 173.2° | 0.1° |
| O3 | C18 | C17 | H31 | 0.0° | 0.0° |
| O3 | C18 | C17 | H32 | 120.0° | 120.0° |
| O3 | C18 | C17 | H33 | 120.0° | 120.0° |
| C18 | O4 | C19 | C20 | 132.0° | 150.0° |
| C18 | O4 | C19 | C21 | 107.7° | 90.0° |
| O4 | C18 | C17 | H31 | 178.8° | 179.9° |
| O4 | C18 | C17 | H32 | 58.8° | 60.0° |
| O4 | C18 | C17 | H33 | 61.2° | 60.0° |
| C18 | O4 | C19 | H34 | 11.0° | 30.0° |
| O4 | C19 | C20 | C21 | 114.7° | 120.0° |
| O4 | C19 | C20 | H34 | 121.5° | 120.1° |
| O4 | C19 | C21 | H34 | 119.3° | 120.0° |
| O4 | C19 | C21 | C22 | 64.6° | 174.1° |
| O4 | C19 | C21 | N2 | 53.0° | 54.1° |
| O4 | C19 | C20 | H35 | 180.0° | 54.9° |
| O4 | C19 | C20 | H36 | 60.0° | 174.9° |
| O4 | C19 | C20 | H37 | 60.0° | 65.1° |
| O4 | C19 | C21 | H38 | 175.0° | 65.9° |
| C20 | C19 | C21 | H34 | 124.1° | 120.0° |
| C20 | C19 | C21 | C22 | 178.8° | 65.9° |
| C20 | C19 | C21 | N2 | 63.6° | 174.1° |
| C19 | C20 | H35 | H36 | 120.0° | 120.0° |
| C19 | C20 | H35 | H37 | 120.0° | 120.0° |
| C19 | C20 | H36 | H37 | 120.0° | 120.0° |
| C20 | C19 | C21 | H38 | 58.4° | 54.1° |
| C19 | C21 | C22 | N2 | 120.3° | 120.0° |
| C19 | C21 | C22 | H38 | 120.4° | 119.9° |
| C19 | C21 | N2 | H38 | 121.4° | 120.0° |
| C19 | C21 | C22 | O5 | 91.4° | 86.0° |
| C21 | C19 | C20 | H35 | 65.3° | 174.9° |
| C21 | C19 | C20 | H36 | 54.7° | 65.2° |
| C21 | C19 | C20 | H37 | 174.6° | 54.9° |
| C19 | C21 | N2 | H39 | 45.5° | 95.0° |
| C19 | C21 | N2 | C16 | 134.6° | 85.0° |
| C19 | C21 | C22 | N3 | 88.8° | 94.1° |
| C22 | C21 | N2 | H38 | 118.6° | 120.1° |
| C21 | C22 | O5 | N3 | 179.9° | 179.9° |
| C22 | C21 | C19 | H34 | 54.8° | 54.1° |
| C22 | C21 | N2 | H39 | 74.6° | 25.0° |
| C21 | C22 | N3 | C23 | 3.3° | 3.5° |
| C21 | C22 | N3 | C24 | 176.6° | 176.5° |
| C22 | C21 | N2 | C16 | 105.4° | 155.0° |
| N2 | C21 | C22 | O5 | 28.9° | 34.0° |
| N2 | C21 | C19 | H34 | 172.3° | 65.9° |
| C21 | N2 | H39 | C16 | 180.0° | 180.0° |
| N2 | C21 | C22 | N3 | 151.0° | 145.9° |
| O5 | C22 | C21 | H38 | 148.2° | 154.1° |
| O5 | C22 | N3 | C23 | 176.6° | 176.4° |
| O5 | C22 | N3 | C24 | 3.6° | 3.6° |
| H31 | C17 | H32 | H33 | 120.0° | 120.0° |
| H34 | C19 | C20 | H35 | 58.6° | 65.2° |
| H34 | C19 | C20 | H36 | 178.6° | 54.8° |
| H34 | C19 | C20 | H37 | 61.5° | 174.8° |
| H34 | C19 | C21 | H38 | 65.7° | 174.0° |
| H35 | C20 | H36 | H37 | 120.0° | 120.0° |
| H38 | C21 | N2 | H39 | 166.8° | 145.0° |
| H38 | C21 | N2 | C16 | 13.2° | 35.0° |
| H38 | C21 | C22 | N3 | 31.7° | 25.8° |
| C23 | N3 | C24 | C22 | 179.9° | 180.0° |
| N3 | C23 | H40 | H41 | 120.0° | 120.0° |
| N3 | C23 | H40 | H42 | 120.0° | 120.0° |
| N3 | C23 | H41 | H42 | 120.0° | 120.1° |
| C23 | N3 | C24 | C25 | 42.1° | 60.0° |
| C23 | N3 | C24 | C28 | 81.3° | 60.0° |
| C23 | N3 | C24 | H43 | 162.2° | 180.0° |
| C24 | N3 | C23 | H40 | 180.0° | 95.1° |
| C24 | N3 | C23 | H41 | 60.0° | 24.9° |
| C24 | N3 | C23 | H42 | 60.0° | 144.9° |
| N3 | C24 | C25 | C28 | 121.5° | 120.0° |
| N3 | C24 | C25 | H43 | 120.5° | 120.1° |
| N3 | C24 | C28 | H43 | 117.1° | 120.0° |
| N3 | C24 | C25 | C26 | 173.1° | 176.6° |
| N3 | C24 | C25 | C27 | 64.7° | 56.5° |
| N3 | C24 | C25 | H44 | 54.1° | 63.5° |
| N3 | C24 | C28 | O6 | 66.9° | 34.8° |
| N3 | C24 | C28 | N4 | 113.1° | 145.2° |
| H40 | C23 | H41 | H42 | 120.0° | 120.0° |
| H40 | C23 | N3 | C22 | 0.2° | 84.9° |
| H41 | C23 | N3 | C22 | 119.9° | 155.1° |
| H42 | C23 | N3 | C22 | 120.2° | 35.1° |
| C25 | C24 | C28 | H43 | 118.0° | 120.0° |
| C24 | C25 | C26 | C27 | 122.2° | 120.0° |
| C24 | C25 | C26 | H44 | 118.9° | 120.0° |
| C24 | C25 | C27 | H44 | 118.6° | 120.0° |
| C24 | C25 | C26 | H45 | 180.0° | 63.8° |
| C24 | C25 | C26 | H46 | 60.0° | 176.3° |
| C24 | C25 | C26 | H47 | 60.0° | 56.2° |
| C24 | C25 | C27 | H48 | 180.0° | 60.0° |
| C24 | C25 | C27 | H49 | 60.0° | 180.0° |
| C24 | C25 | C27 | H50 | 60.0° | 60.0° |
| C25 | C24 | C28 | O6 | 58.1° | 85.2° |
| C25 | C24 | N3 | C22 | 138.0° | 120.0° |
| C25 | C24 | C28 | N4 | 121.9° | 94.8° |
| C28 | C24 | C25 | C26 | 51.7° | 63.5° |
| C28 | C24 | C25 | C27 | 173.8° | 176.5° |
| C28 | C24 | C25 | H44 | 67.4° | 56.5° |
| C24 | C28 | O6 | N4 | 180.0° | 180.0° |
| C24 | C28 | N4 | C29 | 177.8° | 175.1° |
| C24 | C28 | N4 | C33 | 1.1° | 4.6° |
| C28 | C24 | N3 | C22 | 98.6° | 120.0° |
| H43 | C24 | C25 | C26 | 66.4° | 56.5° |
| H43 | C24 | C25 | C27 | 55.8° | 63.6° |
| H43 | C24 | C25 | H44 | 174.6° | 176.4° |
| H43 | C24 | C28 | O6 | 176.0° | 154.8° |
| H43 | C24 | N3 | C22 | 18.0° | 0.1° |
| H43 | C24 | C28 | N4 | 3.9° | 25.2° |
| C26 | C25 | C27 | H44 | 118.9° | 120.0° |
| C25 | C26 | H45 | H46 | 120.0° | 119.9° |
| C25 | C26 | H45 | H47 | 120.0° | 120.0° |
| C25 | C26 | H46 | H47 | 120.0° | 120.0° |
| C26 | C25 | C27 | H48 | 57.5° | 180.0° |
| C26 | C25 | C27 | H49 | 62.5° | 60.0° |
| C26 | C25 | C27 | H50 | 177.5° | 60.0° |
| C27 | C25 | C26 | H45 | 57.8° | 56.3° |
| C27 | C25 | C26 | H46 | 177.8° | 63.7° |
| C27 | C25 | C26 | H47 | 62.2° | 176.2° |
| C25 | C27 | H48 | H49 | 120.0° | 120.0° |
| C25 | C27 | H48 | H50 | 120.0° | 120.0° |
| C25 | C27 | H49 | H50 | 120.0° | 120.0° |
| H44 | C25 | C26 | H45 | 61.1° | 176.3° |
| H44 | C25 | C26 | H46 | 58.9° | 56.3° |
| H44 | C25 | C26 | H47 | 178.9° | 63.7° |
| H44 | C25 | C27 | H48 | 61.4° | 60.0° |
| H44 | C25 | C27 | H49 | 178.6° | 60.0° |
| H44 | C25 | C27 | H50 | 58.7° | 180.0° |
| H45 | C26 | H46 | H47 | 120.0° | 120.1° |
| H48 | C27 | H49 | H50 | 120.0° | 120.1° |
| O6 | C28 | N4 | C29 | 2.2° | 5.0° |
| O6 | C28 | N4 | C33 | 178.9° | 175.4° |
| C29 | N4 | C33 | C28 | 179.0° | 179.7° |
| N4 | C29 | C30 | C31 | 112.7° | 117.8° |
| N4 | C29 | C30 | H51 | 124.3° | 121.0° |
| N4 | C29 | C31 | H51 | 118.6° | 119.4° |
| N4 | C29 | C30 | O7 | 0.6° | 11.7° |
| N4 | C29 | C31 | C32 | 37.2° | 22.2° |
| N4 | C29 | C31 | H52 | 156.1° | 96.2° |
| N4 | C29 | C31 | H53 | 81.8° | 140.5° |
| C29 | N4 | C33 | C32 | 4.0° | 23.8° |
| C29 | N4 | C33 | H55 | 123.1° | 142.7° |
| C29 | N4 | C33 | H56 | 115.1° | 95.0° |
| N4 | C29 | C30 | N5 | 178.8° | 168.3° |
| C33 | N4 | C29 | C30 | 92.4° | 118.7° |
| C33 | N4 | C29 | C31 | 26.0° | 0.8° |
| C33 | N4 | C29 | H51 | 143.9° | 120.2° |
| N4 | C33 | C32 | C31 | 20.0° | 36.7° |
| N4 | C33 | C32 | O8 | 99.3° | 154.9° |
| N4 | C33 | C32 | H55 | 119.1° | 118.9° |
| N4 | C33 | C32 | H56 | 119.1° | 118.9° |
| N4 | C33 | C32 | H54 | 137.8° | 81.3° |
| N4 | C33 | H55 | H56 | 122.6° | 122.3° |
| C30 | C29 | C31 | H51 | 123.0° | 121.2° |
| C29 | C30 | O7 | N5 | 179.5° | 179.9° |
| C30 | C29 | C31 | C32 | 81.2° | 141.7° |
| C30 | C29 | C31 | H52 | 37.8° | 23.3° |
| C30 | C29 | C31 | H53 | 159.9° | 100.0° |
| C29 | C30 | N5 | C37 | 4.7° | 6.1° |
| C29 | C30 | N5 | C36 | 176.1° | 173.9° |
| C30 | C29 | N4 | C28 | 88.5° | 61.5° |
| C31 | C29 | C30 | O7 | 112.0° | 106.1° |
| C29 | C31 | C32 | H52 | 119.0° | 118.4° |
| C29 | C31 | C32 | H53 | 119.0° | 118.3° |
| C29 | C31 | H52 | H53 | 123.0° | 123.2° |
| C29 | C31 | C32 | O8 | 83.1° | 153.6° |
| C29 | C31 | C32 | C33 | 35.6° | 35.4° |
| C29 | C31 | C32 | H54 | 153.4° | 82.5° |
| C31 | C29 | N4 | C28 | 153.1° | 178.9° |
| C31 | C29 | C30 | N5 | 68.5° | 73.8° |
| H51 | C29 | C30 | O7 | 124.9° | 132.7° |
| H51 | C29 | C31 | C32 | 155.8° | 97.1° |
| H51 | C29 | C31 | H52 | 85.3° | 144.5° |
| H51 | C29 | C31 | H53 | 36.8° | 21.2° |
| H51 | C29 | N4 | C28 | 35.2° | 59.5° |
| H51 | C29 | C30 | N5 | 54.6° | 47.4° |
| O7 | C30 | N5 | C37 | 174.8° | 173.9° |
| O7 | C30 | N5 | C36 | 4.4° | 6.2° |
| C32 | C31 | H52 | H53 | 123.0° | 123.2° |
| C31 | C32 | O8 | C33 | 115.2° | 112.3° |
| C31 | C32 | O8 | H54 | 122.8° | 123.9° |
| C31 | C32 | C33 | H54 | 117.8° | 118.0° |
| C31 | C32 | C33 | H55 | 99.1° | 155.6° |
| C31 | C32 | C33 | H56 | 139.1° | 82.1° |
| C31 | C32 | O8 | H57 | 180.0° | 180.0° |
| H52 | C31 | C32 | O8 | 35.9° | 35.2° |
| H52 | C31 | C32 | C33 | 154.6° | 83.0° |
| H52 | C31 | C32 | H54 | 87.7° | 159.1° |
| H53 | C31 | C32 | O8 | 158.0° | 88.1° |
| H53 | C31 | C32 | C33 | 83.3° | 153.6° |
| H53 | C31 | C32 | H54 | 34.4° | 35.8° |
| O8 | C32 | C33 | H54 | 122.9° | 123.8° |
| O8 | C32 | C33 | H55 | 141.6° | 86.2° |
| O8 | C32 | C33 | H56 | 19.8° | 36.0° |
| C32 | C33 | H55 | H56 | 122.6° | 122.2° |
| C33 | C32 | O8 | H57 | 64.8° | 67.6° |
| C32 | C33 | N4 | C28 | 175.0° | 155.9° |
| H54 | C32 | C33 | H55 | 18.7° | 37.6° |
| H54 | C32 | C33 | H56 | 103.1° | 159.9° |
| H54 | C32 | O8 | H57 | 57.2° | 56.1° |
| H55 | C33 | N4 | C28 | 55.9° | 37.0° |
| H56 | C33 | N4 | C28 | 65.9° | 85.3° |
| C37 | C34 | C35 | H58 | 119.1° | 118.7° |
| C37 | C34 | C35 | H59 | 119.1° | 118.7° |
| C34 | C37 | O9 | N5 | 179.1° | 180.0° |
| C37 | C34 | C35 | C36 | 28.9° | 24.8° |
| C34 | C37 | N5 | C36 | 7.7° | 0.4° |
| C37 | C34 | H58 | H59 | 122.6° | 122.6° |
| C37 | C34 | C35 | H60 | 148.1° | 93.3° |
| C37 | C34 | C35 | H61 | 90.2° | 142.9° |
| C34 | C37 | N5 | C30 | 173.0° | 179.6° |
| C35 | C34 | C37 | O9 | 166.8° | 163.8° |
| C35 | C34 | C37 | N5 | 13.9° | 16.2° |
| C34 | C35 | C36 | H60 | 119.1° | 118.1° |
| C34 | C35 | C36 | H61 | 119.1° | 118.2° |
| C34 | C35 | C36 | N5 | 32.5° | 25.3° |
| C34 | C35 | C36 | C38 | 86.3° | 144.4° |
| C35 | C34 | H58 | H59 | 122.6° | 122.6° |
| C34 | C35 | H60 | H61 | 122.6° | 123.8° |
| C34 | C35 | C36 | H62 | 150.1° | 93.7° |
| O9 | C37 | N5 | C36 | 171.6° | 179.6° |
| O9 | C37 | C34 | H58 | 74.1° | 77.5° |
| O9 | C37 | C34 | H59 | 47.7° | 45.1° |
| O9 | C37 | N5 | C30 | 7.7° | 0.5° |
| C37 | N5 | C36 | C35 | 25.6° | 17.0° |
| C37 | N5 | C36 | C30 | 179.4° | 180.0° |
| C37 | N5 | C36 | C38 | 94.0° | 136.0° |
| N5 | C37 | C34 | H58 | 105.2° | 102.4° |
| N5 | C37 | C34 | H59 | 133.0° | 134.9° |
| C37 | N5 | C36 | H62 | 142.6° | 102.0° |
| C35 | C36 | N5 | C38 | 119.6° | 119.1° |
| C35 | C36 | N5 | H62 | 117.0° | 119.0° |
| C35 | C36 | C38 | H62 | 123.4° | 121.9° |
| C36 | C35 | C34 | H58 | 90.2° | 93.9° |
| C36 | C35 | C34 | H59 | 148.0° | 143.5° |
| C36 | C35 | H60 | H61 | 122.6° | 123.8° |
| C35 | C36 | C38 | H63 | 180.0° | 61.4° |
| C35 | C36 | C38 | H64 | 60.0° | 178.6° |
| C35 | C36 | C38 | H65 | 60.0° | 58.5° |
| C35 | C36 | N5 | C30 | 155.0° | 163.0° |
| N5 | C36 | C38 | H62 | 123.9° | 122.0° |
| N5 | C36 | C35 | H60 | 151.6° | 92.7° |
| N5 | C36 | C35 | H61 | 86.6° | 143.5° |
| N5 | C36 | C38 | H63 | 67.3° | 177.5° |
| N5 | C36 | C38 | H64 | 52.7° | 62.5° |
| N5 | C36 | C38 | H65 | 172.7° | 57.5° |
| C38 | C36 | C35 | H60 | 32.8° | 26.3° |
| C38 | C36 | C35 | H61 | 154.6° | 97.4° |
| C36 | C38 | H63 | H64 | 120.0° | 120.0° |
| C36 | C38 | H63 | H65 | 120.0° | 119.9° |
| C36 | C38 | H64 | H65 | 120.0° | 120.0° |
| C38 | C36 | N5 | C30 | 85.4° | 43.9° |
| H58 | C34 | C35 | H60 | 28.9° | 148.0° |
| H58 | C34 | C35 | H61 | 150.7° | 24.2° |
| H59 | C34 | C35 | H60 | 92.9° | 25.4° |
| H59 | C34 | C35 | H61 | 28.9° | 98.3° |
| H60 | C35 | C36 | H62 | 90.8° | 148.2° |
| H61 | C35 | C36 | H62 | 31.0° | 24.5° |
| H62 | C36 | C38 | H63 | 56.6° | 60.5° |
| H62 | C36 | C38 | H64 | 176.6° | 59.5° |
| H62 | C36 | C38 | H65 | 63.4° | 179.6° |
| H62 | C36 | N5 | C30 | 38.1° | 78.0° |
| H63 | C38 | H64 | H65 | 120.0° | 120.1° |
