PRD_000362
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C1 | sing | 1.47Å | 1.49Å | |
| N1 | H1 | sing | 1.01Å | 1.00Å | |
| N1 | H2 | sing | 1.01Å | 1.00Å | |
| C1 | C2 | sing | 1.51Å | 1.54Å | |
| C1 | C3 | sing | 1.53Å | 1.54Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C2 | O1 | doub | 1.21Å | 1.25Å | |
| C3 | C4 | sing | 1.53Å | 1.53Å | |
| C3 | C5 | sing | 1.53Å | 1.52Å | |
| C3 | H4 | sing | 1.09Å | 1.10Å | |
| C4 | H5 | sing | 1.09Å | 1.10Å | |
| C4 | H6 | sing | 1.09Å | 1.10Å | |
| C4 | H7 | sing | 1.09Å | 1.10Å | |
| C5 | H8 | sing | 1.09Å | 1.10Å | |
| C5 | H9 | sing | 1.09Å | 1.10Å | |
| C5 | H10 | sing | 1.09Å | 1.10Å | |
| N2 | C6 | sing | 1.46Å | 1.47Å | |
| N2 | H11 | sing | 0.97Å | 1.00Å | |
| C6 | C7 | sing | 1.51Å | 1.54Å | |
| C6 | C8 | sing | 1.53Å | 1.53Å | |
| C6 | H12 | sing | 1.09Å | 1.10Å | |
| C7 | O2 | doub | 1.21Å | 1.26Å | |
| C8 | O3 | sing | 1.43Å | 1.43Å | |
| C8 | H13 | sing | 1.09Å | 1.10Å | |
| C8 | H14 | sing | 1.09Å | 1.10Å | |
| O3 | H15 | sing | 0.97Å | 0.95Å | |
| N3 | C9 | sing | 1.46Å | 1.48Å | |
| N3 | H16 | sing | 0.97Å | 1.00Å | |
| C9 | C10 | sing | 1.51Å | 1.55Å | |
| C9 | C11 | sing | 1.53Å | 1.53Å | |
| C9 | H17 | sing | 1.09Å | 1.10Å | |
| C10 | O4 | doub | 1.21Å | 1.22Å | |
| C11 | C12 | sing | 1.53Å | 1.49Å | |
| C11 | H18 | sing | 1.09Å | 1.10Å | |
| C11 | H19 | sing | 1.09Å | 1.10Å | |
| C12 | C13 | sing | 1.51Å | 1.50Å | |
| C12 | H20 | sing | 1.09Å | 1.10Å | |
| C12 | H21 | sing | 1.09Å | 1.10Å | |
| C13 | O5 | doub | 1.21Å | 1.25Å | |
| C13 | N4 | sing | 1.35Å | 1.34Å | |
| N4 | H22 | sing | 0.97Å | 1.00Å | |
| N4 | H23 | sing | 0.97Å | 1.00Å | |
| N5 | C14 | sing | 1.47Å | 1.45Å | |
| N5 | H24 | sing | 0.97Å | 1.00Å | |
| C14 | C15 | sing | 1.51Å | 1.52Å | |
| C14 | C16 | sing | 1.53Å | 1.56Å | |
| C14 | H25 | sing | 1.09Å | 1.10Å | |
| C15 | O6 | doub | 1.21Å | 1.24Å | |
| C16 | C17 | sing | 1.51Å | 1.52Å | |
| C16 | H26 | sing | 1.09Å | 1.10Å | |
| C16 | H27 | sing | 1.09Å | 1.10Å | |
| C17 | O7 | doub | 1.21Å | 1.22Å | |
| C17 | N6 | sing | 1.35Å | 1.34Å | |
| N6 | H28 | sing | 0.97Å | 1.00Å | |
| N6 | H29 | sing | 0.97Å | 1.00Å | |
| C18 | C20 | sing | 1.53Å | 1.51Å | |
| C18 | H30 | sing | 1.09Å | 1.10Å | |
| C18 | H31 | sing | 1.09Å | 1.10Å | |
| C18 | H32 | sing | 1.09Å | 1.10Å | |
| C19 | C20 | sing | 1.53Å | 1.53Å | |
| C19 | H33 | sing | 1.09Å | 1.10Å | |
| C19 | H34 | sing | 1.09Å | 1.10Å | |
| C19 | H35 | sing | 1.09Å | 1.10Å | |
| C20 | C21 | sing | 1.53Å | 1.54Å | |
| C20 | H36 | sing | 1.09Å | 1.10Å | |
| C21 | C22 | sing | 1.53Å | 1.53Å | |
| C21 | H37 | sing | 1.09Å | 1.10Å | |
| C21 | H38 | sing | 1.09Å | 1.10Å | |
| C22 | C23 | sing | 1.53Å | 1.51Å | |
| C22 | N7 | sing | 1.46Å | 1.48Å | |
| C22 | H39 | sing | 1.09Å | 1.10Å | |
| C23 | O8 | sing | 1.43Å | 1.41Å | |
| C23 | C24 | sing | 1.53Å | 1.51Å | |
| C23 | H40 | sing | 1.09Å | 1.10Å | |
| N7 | H41 | sing | 0.97Å | 1.00Å | |
| O8 | H42 | sing | 0.97Å | 0.95Å | |
| C24 | C25 | sing | 1.53Å | 1.54Å | |
| C24 | H43 | sing | 1.09Å | 1.10Å | |
| C24 | H44 | sing | 1.09Å | 1.10Å | |
| C25 | C26 | sing | 1.53Å | 1.55Å | |
| C25 | C29 | sing | 1.51Å | 1.53Å | |
| C25 | H45 | sing | 1.09Å | 1.10Å | |
| C26 | C27 | sing | 1.53Å | 1.53Å | |
| C26 | C28 | sing | 1.53Å | 1.51Å | |
| C26 | H46 | sing | 1.09Å | 1.10Å | |
| C27 | H47 | sing | 1.09Å | 1.10Å | |
| C27 | H48 | sing | 1.09Å | 1.10Å | |
| C27 | H49 | sing | 1.09Å | 1.10Å | |
| C28 | H50 | sing | 1.09Å | 1.10Å | |
| C28 | H51 | sing | 1.09Å | 1.10Å | |
| C28 | H52 | sing | 1.09Å | 1.10Å | |
| C29 | O9 | doub | 1.21Å | 1.26Å | |
| N8 | C30 | sing | 1.47Å | 1.47Å | |
| N8 | H53 | sing | 0.97Å | 1.00Å | |
| C30 | C31 | sing | 1.51Å | 1.54Å | |
| C30 | C32 | sing | 1.53Å | 1.55Å | |
| C30 | H54 | sing | 1.09Å | 1.10Å | |
| C31 | O10 | doub | 1.21Å | 1.24Å | |
| C32 | C33 | sing | 1.53Å | 1.56Å | |
| C32 | C34 | sing | 1.53Å | 1.57Å | |
| C32 | H55 | sing | 1.09Å | 1.10Å | |
| C33 | C35 | sing | 1.53Å | 1.55Å | |
| C33 | H56 | sing | 1.09Å | 1.10Å | |
| C33 | H57 | sing | 1.09Å | 1.10Å | |
| C34 | H58 | sing | 1.09Å | 1.10Å | |
| C34 | H59 | sing | 1.09Å | 1.10Å | |
| C34 | H60 | sing | 1.09Å | 1.10Å | |
| C35 | H61 | sing | 1.09Å | 1.10Å | |
| C35 | H62 | sing | 1.09Å | 1.10Å | |
| C35 | H63 | sing | 1.09Å | 1.10Å | |
| N9 | C36 | sing | 1.46Å | 1.49Å | |
| N9 | H64 | sing | 0.97Å | 1.00Å | |
| C36 | C37 | sing | 1.51Å | 1.54Å | |
| C36 | C38 | sing | 1.53Å | 1.52Å | |
| C36 | H65 | sing | 1.09Å | 1.10Å | |
| C37 | O11 | doub | 1.21Å | 1.26Å | |
| C37 | O12 | sing | 1.34Å | 1.25Å | |
| C38 | C39 | sing | 1.53Å | 1.54Å | |
| C38 | C40 | sing | 1.53Å | 1.52Å | |
| C38 | H66 | sing | 1.09Å | 1.10Å | |
| C39 | H67 | sing | 1.09Å | 1.10Å | |
| C39 | H68 | sing | 1.09Å | 1.10Å | |
| C39 | H69 | sing | 1.09Å | 1.10Å | |
| C40 | H70 | sing | 1.09Å | 1.10Å | |
| C40 | H71 | sing | 1.09Å | 1.10Å | |
| C40 | H72 | sing | 1.09Å | 1.10Å | |
| O12 | H73 | sing | 0.97Å | 0.95Å | |
| C15 | N7 | sing | 1.35Å | 1.32Å | |
| C29 | N8 | sing | 1.35Å | 1.31Å | |
| C2 | N2 | sing | 1.35Å | 1.32Å | |
| C7 | N3 | sing | 1.35Å | 1.34Å | |
| C10 | N5 | sing | 1.35Å | 1.32Å | |
| C31 | N9 | sing | 1.35Å | 1.31Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | N1 | H1 | 109.5° | 111.1° |
| C1 | N1 | H2 | 109.5° | 111.1° |
| N1 | C1 | C2 | 110.5° | 109.5° |
| N1 | C1 | C3 | 110.6° | 109.5° |
| N1 | C1 | H3 | 105.1° | 109.5° |
| H1 | N1 | H2 | 109.4° | 110.9° |
| C2 | C1 | C3 | 119.9° | 109.5° |
| C2 | C1 | H3 | 104.7° | 109.5° |
| C1 | C2 | O1 | 123.2° | 120.0° |
| C1 | C2 | N2 | 115.7° | 120.0° |
| C3 | C1 | H3 | 104.6° | 109.5° |
| C1 | C3 | C4 | 116.4° | 109.5° |
| C1 | C3 | C5 | 114.1° | 109.5° |
| C1 | C3 | H4 | 105.0° | 109.5° |
| O1 | C2 | N2 | 120.9° | 120.0° |
| C4 | C3 | C5 | 109.9° | 109.5° |
| C4 | C3 | H4 | 105.1° | 109.5° |
| C3 | C4 | H5 | 109.5° | 109.4° |
| C3 | C4 | H6 | 109.4° | 109.5° |
| C3 | C4 | H7 | 109.4° | 109.5° |
| C5 | C3 | H4 | 105.2° | 109.5° |
| C3 | C5 | H8 | 109.5° | 109.5° |
| C3 | C5 | H9 | 109.4° | 109.4° |
| C3 | C5 | H10 | 109.5° | 109.5° |
| H5 | C4 | H6 | 109.5° | 109.5° |
| H5 | C4 | H7 | 109.5° | 109.4° |
| H6 | C4 | H7 | 109.5° | 109.5° |
| H8 | C5 | H9 | 109.5° | 109.5° |
| H8 | C5 | H10 | 109.4° | 109.4° |
| H9 | C5 | H10 | 109.5° | 109.4° |
| C6 | N2 | H11 | 117.9° | 120.0° |
| N2 | C6 | C7 | 108.5° | 109.5° |
| N2 | C6 | C8 | 106.6° | 109.5° |
| N2 | C6 | H12 | 110.3° | 109.5° |
| C6 | N2 | C2 | 124.2° | 120.0° |
| H11 | N2 | C2 | 117.9° | 120.0° |
| C7 | C6 | C8 | 112.7° | 109.5° |
| C7 | C6 | H12 | 109.3° | 109.4° |
| C6 | C7 | O2 | 113.7° | 120.0° |
| C6 | C7 | N3 | 123.9° | 120.1° |
| C8 | C6 | H12 | 109.4° | 109.5° |
| C6 | C8 | O3 | 108.1° | 109.5° |
| C6 | C8 | H13 | 109.8° | 109.4° |
| C6 | C8 | H14 | 109.8° | 109.5° |
| O2 | C7 | N3 | 122.4° | 120.0° |
| O3 | C8 | H13 | 109.8° | 109.4° |
| O3 | C8 | H14 | 109.8° | 109.5° |
| C8 | O3 | H15 | 109.5° | 114.0° |
| H13 | C8 | H14 | 109.4° | 109.5° |
| C9 | N3 | H16 | 118.7° | 120.0° |
| N3 | C9 | C10 | 113.4° | 109.5° |
| N3 | C9 | C11 | 114.7° | 109.5° |
| N3 | C9 | H17 | 107.2° | 109.5° |
| C9 | N3 | C7 | 122.5° | 120.0° |
| H16 | N3 | C7 | 118.8° | 120.0° |
| C10 | C9 | C11 | 108.3° | 109.4° |
| C10 | C9 | H17 | 106.3° | 109.4° |
| C9 | C10 | O4 | 118.3° | 120.0° |
| C9 | C10 | N5 | 116.9° | 120.0° |
| C11 | C9 | H17 | 106.5° | 109.5° |
| C9 | C11 | C12 | 111.2° | 109.4° |
| C9 | C11 | H18 | 109.1° | 109.5° |
| C9 | C11 | H19 | 109.1° | 109.5° |
| O4 | C10 | N5 | 124.8° | 120.0° |
| C12 | C11 | H18 | 109.0° | 109.4° |
| C12 | C11 | H19 | 109.0° | 109.4° |
| C11 | C12 | C13 | 121.8° | 109.5° |
| C11 | C12 | H20 | 106.3° | 109.5° |
| C11 | C12 | H21 | 106.3° | 109.5° |
| H18 | C11 | H19 | 109.5° | 109.5° |
| C13 | C12 | H20 | 106.3° | 109.4° |
| C13 | C12 | H21 | 106.3° | 109.5° |
| C12 | C13 | O5 | 116.7° | 120.0° |
| C12 | C13 | N4 | 117.8° | 120.0° |
| H20 | C12 | H21 | 109.5° | 109.5° |
| O5 | C13 | N4 | 125.5° | 120.0° |
| C13 | N4 | H22 | 120.0° | 119.9° |
| C13 | N4 | H23 | 120.0° | 120.0° |
| H22 | N4 | H23 | 120.0° | 120.0° |
| C14 | N5 | H24 | 114.8° | 120.0° |
| N5 | C14 | C15 | 120.1° | 109.5° |
| N5 | C14 | C16 | 110.6° | 109.4° |
| N5 | C14 | H25 | 108.3° | 109.5° |
| C14 | N5 | C10 | 130.3° | 120.0° |
| H24 | N5 | C10 | 114.9° | 120.0° |
| C15 | C14 | C16 | 102.6° | 109.4° |
| C15 | C14 | H25 | 107.5° | 109.5° |
| C14 | C15 | O6 | 122.4° | 120.0° |
| C14 | C15 | N7 | 113.4° | 120.0° |
| C16 | C14 | H25 | 107.0° | 109.5° |
| C14 | C16 | C17 | 103.7° | 109.5° |
| C14 | C16 | H26 | 110.9° | 109.5° |
| C14 | C16 | H27 | 110.9° | 109.5° |
| O6 | C15 | N7 | 123.4° | 120.0° |
| C17 | C16 | H26 | 110.9° | 109.5° |
| C17 | C16 | H27 | 110.9° | 109.4° |
| C16 | C17 | O7 | 119.3° | 120.0° |
| C16 | C17 | N6 | 110.6° | 120.0° |
| H26 | C16 | H27 | 109.4° | 109.5° |
| O7 | C17 | N6 | 129.8° | 120.0° |
| C17 | N6 | H28 | 120.0° | 120.0° |
| C17 | N6 | H29 | 120.0° | 120.0° |
| H28 | N6 | H29 | 120.0° | 120.0° |
| C20 | C18 | H30 | 109.5° | 109.5° |
| C20 | C18 | H31 | 109.5° | 109.5° |
| C20 | C18 | H32 | 109.4° | 109.5° |
| C18 | C20 | C19 | 102.8° | 109.5° |
| C18 | C20 | C21 | 113.9° | 109.4° |
| C18 | C20 | H36 | 110.6° | 109.5° |
| H30 | C18 | H31 | 109.5° | 109.4° |
| H30 | C18 | H32 | 109.5° | 109.5° |
| H31 | C18 | H32 | 109.5° | 109.5° |
| C20 | C19 | H33 | 109.5° | 109.4° |
| C20 | C19 | H34 | 109.4° | 109.4° |
| C20 | C19 | H35 | 109.4° | 109.4° |
| C19 | C20 | C21 | 108.7° | 109.5° |
| C19 | C20 | H36 | 110.4° | 109.5° |
| H33 | C19 | H34 | 109.5° | 109.5° |
| H33 | C19 | H35 | 109.5° | 109.6° |
| H34 | C19 | H35 | 109.5° | 109.5° |
| C21 | C20 | H36 | 110.2° | 109.4° |
| C20 | C21 | C22 | 114.9° | 109.5° |
| C20 | C21 | H37 | 108.1° | 109.5° |
| C20 | C21 | H38 | 108.1° | 109.5° |
| C22 | C21 | H37 | 108.1° | 109.4° |
| C22 | C21 | H38 | 108.1° | 109.5° |
| C21 | C22 | C23 | 118.1° | 109.5° |
| C21 | C22 | N7 | 104.0° | 109.5° |
| C21 | C22 | H39 | 106.1° | 109.5° |
| H37 | C21 | H38 | 109.5° | 109.5° |
| C23 | C22 | N7 | 114.7° | 109.5° |
| C23 | C22 | H39 | 106.4° | 109.5° |
| C22 | C23 | O8 | 115.2° | 109.5° |
| C22 | C23 | C24 | 116.8° | 109.5° |
| C22 | C23 | H40 | 103.0° | 109.5° |
| N7 | C22 | H39 | 106.7° | 109.5° |
| C22 | N7 | H41 | 117.7° | 120.0° |
| C22 | N7 | C15 | 124.5° | 120.0° |
| O8 | C23 | C24 | 112.6° | 109.5° |
| O8 | C23 | H40 | 103.9° | 109.5° |
| C23 | O8 | H42 | 109.5° | 114.0° |
| C24 | C23 | H40 | 103.0° | 109.5° |
| C23 | C24 | C25 | 113.0° | 109.4° |
| C23 | C24 | H43 | 108.6° | 109.5° |
| C23 | C24 | H44 | 108.6° | 109.4° |
| H41 | N7 | C15 | 117.7° | 120.0° |
| C25 | C24 | H43 | 108.6° | 109.5° |
| C25 | C24 | H44 | 108.6° | 109.5° |
| C24 | C25 | C26 | 107.2° | 109.5° |
| C24 | C25 | C29 | 114.7° | 109.5° |
| C24 | C25 | H45 | 107.0° | 109.5° |
| H43 | C24 | H44 | 109.4° | 109.5° |
| C26 | C25 | C29 | 113.7° | 109.4° |
| C26 | C25 | H45 | 106.8° | 109.4° |
| C25 | C26 | C27 | 115.4° | 109.5° |
| C25 | C26 | C28 | 112.1° | 109.5° |
| C25 | C26 | H46 | 107.4° | 109.5° |
| C29 | C25 | H45 | 107.0° | 109.5° |
| C25 | C29 | O9 | 123.3° | 120.0° |
| C25 | C29 | N8 | 116.4° | 120.0° |
| C27 | C26 | C28 | 106.0° | 109.4° |
| C27 | C26 | H46 | 107.7° | 109.5° |
| C26 | C27 | H47 | 109.5° | 109.5° |
| C26 | C27 | H48 | 109.5° | 109.5° |
| C26 | C27 | H49 | 109.5° | 109.4° |
| C28 | C26 | H46 | 107.9° | 109.5° |
| C26 | C28 | H50 | 109.5° | 109.5° |
| C26 | C28 | H51 | 109.4° | 109.5° |
| C26 | C28 | H52 | 109.4° | 109.5° |
| H47 | C27 | H48 | 109.4° | 109.5° |
| H47 | C27 | H49 | 109.4° | 109.5° |
| H48 | C27 | H49 | 109.5° | 109.4° |
| H50 | C28 | H51 | 109.5° | 109.5° |
| H50 | C28 | H52 | 109.5° | 109.4° |
| H51 | C28 | H52 | 109.5° | 109.5° |
| O9 | C29 | N8 | 120.3° | 120.0° |
| C30 | N8 | H53 | 118.8° | 120.0° |
| N8 | C30 | C31 | 103.2° | 109.5° |
| N8 | C30 | C32 | 120.9° | 109.5° |
| N8 | C30 | H54 | 106.6° | 109.5° |
| C30 | N8 | C29 | 122.4° | 120.0° |
| H53 | N8 | C29 | 118.8° | 120.0° |
| C31 | C30 | C32 | 113.7° | 109.5° |
| C31 | C30 | H54 | 105.7° | 109.4° |
| C30 | C31 | O10 | 116.6° | 120.0° |
| C30 | C31 | N9 | 119.6° | 120.0° |
| C32 | C30 | H54 | 105.7° | 109.4° |
| C30 | C32 | C33 | 112.5° | 109.5° |
| C30 | C32 | C34 | 113.3° | 109.5° |
| C30 | C32 | H55 | 110.7° | 109.5° |
| O10 | C31 | N9 | 123.6° | 120.0° |
| C33 | C32 | C34 | 99.2° | 109.4° |
| C33 | C32 | H55 | 110.4° | 109.4° |
| C32 | C33 | C35 | 115.2° | 109.5° |
| C32 | C33 | H56 | 108.0° | 109.5° |
| C32 | C33 | H57 | 108.0° | 109.4° |
| C34 | C32 | H55 | 110.3° | 109.5° |
| C32 | C34 | H58 | 109.5° | 109.5° |
| C32 | C34 | H59 | 109.5° | 109.5° |
| C32 | C34 | H60 | 109.5° | 109.4° |
| C35 | C33 | H56 | 108.0° | 109.5° |
| C35 | C33 | H57 | 108.0° | 109.4° |
| C33 | C35 | H61 | 109.5° | 109.5° |
| C33 | C35 | H62 | 109.5° | 109.5° |
| C33 | C35 | H63 | 109.5° | 109.5° |
| H56 | C33 | H57 | 109.5° | 109.5° |
| H58 | C34 | H59 | 109.4° | 109.5° |
| H58 | C34 | H60 | 109.4° | 109.5° |
| H59 | C34 | H60 | 109.5° | 109.4° |
| H61 | C35 | H62 | 109.5° | 109.4° |
| H61 | C35 | H63 | 109.5° | 109.4° |
| H62 | C35 | H63 | 109.4° | 109.5° |
| C36 | N9 | H64 | 122.1° | 120.0° |
| N9 | C36 | C37 | 106.1° | 109.5° |
| N9 | C36 | C38 | 112.9° | 109.5° |
| N9 | C36 | H65 | 105.7° | 109.5° |
| C36 | N9 | C31 | 115.9° | 120.0° |
| H64 | N9 | C31 | 122.0° | 120.0° |
| C37 | C36 | C38 | 120.4° | 109.5° |
| C37 | C36 | H65 | 105.2° | 109.5° |
| C36 | C37 | O11 | 118.6° | 120.0° |
| C36 | C37 | O12 | 115.1° | 120.0° |
| C38 | C36 | H65 | 105.4° | 109.5° |
| C36 | C38 | C39 | 113.4° | 109.4° |
| C36 | C38 | C40 | 117.4° | 109.5° |
| C36 | C38 | H66 | 105.3° | 109.5° |
| O11 | C37 | O12 | 126.1° | 120.0° |
| C37 | O12 | H73 | 109.5° | 117.1° |
| C39 | C38 | C40 | 109.3° | 109.4° |
| C39 | C38 | H66 | 105.1° | 109.5° |
| C38 | C39 | H67 | 109.5° | 109.4° |
| C38 | C39 | H68 | 109.5° | 109.5° |
| C38 | C39 | H69 | 109.5° | 109.5° |
| C40 | C38 | H66 | 105.3° | 109.5° |
| C38 | C40 | H70 | 109.5° | 109.4° |
| C38 | C40 | H71 | 109.5° | 109.5° |
| C38 | C40 | H72 | 109.5° | 109.5° |
| H67 | C39 | H68 | 109.4° | 109.4° |
| H67 | C39 | H69 | 109.5° | 109.5° |
| H68 | C39 | H69 | 109.4° | 109.5° |
| H70 | C40 | H71 | 109.5° | 109.4° |
| H70 | C40 | H72 | 109.4° | 109.5° |
| H71 | C40 | H72 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | N1 | H1 | H2 | 120.0° | 124.0° |
| N1 | C1 | C2 | C3 | 130.5° | 120.0° |
| N1 | C1 | C2 | H3 | 112.6° | 120.0° |
| N1 | C1 | C3 | H3 | 112.7° | 120.0° |
| N1 | C1 | C2 | O1 | 174.3° | 20.0° |
| N1 | C1 | C3 | C4 | 84.7° | 180.0° |
| N1 | C1 | C3 | C5 | 145.7° | 60.0° |
| N1 | C1 | C3 | H4 | 31.1° | 60.0° |
| N1 | C1 | C2 | N2 | 11.1° | 160.0° |
| H1 | N1 | C1 | C2 | 180.0° | 64.0° |
| H1 | N1 | C1 | C3 | 44.8° | 176.0° |
| H1 | N1 | C1 | H3 | 67.6° | 56.0° |
| H2 | N1 | C1 | C2 | 60.0° | 60.0° |
| H2 | N1 | C1 | C3 | 164.7° | 60.0° |
| H2 | N1 | C1 | H3 | 52.4° | 180.0° |
| C2 | C1 | C3 | H3 | 116.9° | 120.0° |
| C1 | C2 | O1 | N2 | 174.3° | 180.0° |
| C2 | C1 | C3 | C4 | 45.8° | 60.0° |
| C2 | C1 | C3 | C5 | 83.9° | 180.0° |
| C2 | C1 | C3 | H4 | 161.5° | 60.0° |
| C1 | C2 | N2 | C6 | 175.0° | 180.0° |
| C1 | C2 | N2 | H11 | 5.1° | 0.1° |
| C3 | C1 | C2 | O1 | 43.8° | 100.0° |
| C1 | C3 | C4 | C5 | 131.6° | 120.0° |
| C1 | C3 | C4 | H4 | 115.7° | 120.0° |
| C1 | C3 | C5 | H4 | 114.5° | 120.0° |
| C1 | C3 | C4 | H5 | 180.0° | 180.0° |
| C1 | C3 | C4 | H6 | 60.0° | 60.0° |
| C1 | C3 | C4 | H7 | 60.0° | 60.0° |
| C1 | C3 | C5 | H8 | 180.0° | 60.0° |
| C1 | C3 | C5 | H9 | 60.0° | 180.0° |
| C1 | C3 | C5 | H10 | 60.0° | 60.0° |
| C3 | C1 | C2 | N2 | 141.6° | 80.0° |
| H3 | C1 | C2 | O1 | 73.1° | 140.0° |
| H3 | C1 | C3 | C4 | 162.7° | 60.0° |
| H3 | C1 | C3 | C5 | 33.0° | 60.0° |
| H3 | C1 | C3 | H4 | 81.6° | 180.0° |
| H3 | C1 | C2 | N2 | 101.5° | 40.0° |
| O1 | C2 | N2 | C6 | 0.2° | 0.1° |
| O1 | C2 | N2 | H11 | 179.8° | 180.0° |
| C4 | C3 | C5 | H4 | 112.7° | 120.0° |
| C3 | C4 | H5 | H6 | 120.0° | 120.0° |
| C3 | C4 | H5 | H7 | 120.0° | 120.0° |
| C3 | C4 | H6 | H7 | 120.0° | 120.1° |
| C4 | C3 | C5 | H8 | 47.2° | 179.9° |
| C4 | C3 | C5 | H9 | 72.8° | 60.0° |
| C4 | C3 | C5 | H10 | 167.2° | 60.0° |
| C5 | C3 | C4 | H5 | 48.4° | 60.0° |
| C5 | C3 | C4 | H6 | 168.4° | 180.0° |
| C5 | C3 | C4 | H7 | 71.6° | 60.0° |
| C3 | C5 | H8 | H9 | 120.0° | 120.0° |
| C3 | C5 | H8 | H10 | 120.0° | 120.0° |
| C3 | C5 | H9 | H10 | 120.0° | 120.0° |
| H4 | C3 | C4 | H5 | 64.3° | 60.0° |
| H4 | C3 | C4 | H6 | 55.7° | 60.0° |
| H4 | C3 | C4 | H7 | 175.7° | 180.0° |
| H4 | C3 | C5 | H8 | 65.5° | 60.0° |
| H4 | C3 | C5 | H9 | 174.5° | 60.0° |
| H4 | C3 | C5 | H10 | 54.5° | 180.0° |
| H5 | C4 | H6 | H7 | 120.0° | 120.0° |
| H8 | C5 | H9 | H10 | 120.0° | 120.0° |
| C6 | N2 | H11 | C2 | 180.0° | 179.9° |
| N2 | C6 | C7 | C8 | 117.8° | 120.0° |
| N2 | C6 | C7 | H12 | 120.3° | 120.0° |
| N2 | C6 | C8 | H12 | 119.3° | 120.0° |
| N2 | C6 | C7 | O2 | 54.1° | 0.0° |
| N2 | C6 | C8 | O3 | 135.2° | 65.0° |
| N2 | C6 | C8 | H13 | 105.0° | 175.0° |
| N2 | C6 | C8 | H14 | 15.4° | 55.0° |
| N2 | C6 | C7 | N3 | 125.6° | 180.0° |
| H11 | N2 | C6 | C7 | 74.1° | 25.0° |
| H11 | N2 | C6 | C8 | 47.5° | 95.1° |
| H11 | N2 | C6 | H12 | 166.2° | 145.0° |
| C7 | C6 | C8 | H12 | 121.8° | 120.0° |
| C6 | C7 | O2 | N3 | 179.7° | 180.0° |
| C7 | C6 | C8 | O3 | 16.3° | 55.0° |
| C7 | C6 | C8 | H13 | 136.1° | 64.9° |
| C7 | C6 | C8 | H14 | 103.5° | 175.0° |
| C6 | C7 | N3 | C9 | 177.9° | 180.0° |
| C6 | C7 | N3 | H16 | 2.0° | 0.0° |
| C7 | C6 | N2 | C2 | 105.9° | 155.0° |
| C8 | C6 | C7 | O2 | 63.7° | 120.0° |
| C6 | C8 | O3 | H13 | 119.8° | 119.9° |
| C6 | C8 | O3 | H14 | 119.8° | 120.0° |
| C6 | C8 | H13 | H14 | 120.6° | 120.0° |
| C6 | C8 | O3 | H15 | 34.5° | 180.0° |
| C8 | C6 | N2 | C2 | 132.5° | 85.0° |
| C8 | C6 | C7 | N3 | 116.6° | 60.0° |
| H12 | C6 | C7 | O2 | 174.4° | 120.0° |
| H12 | C6 | C8 | O3 | 105.5° | 175.0° |
| H12 | C6 | C8 | H13 | 14.3° | 55.0° |
| H12 | C6 | C8 | H14 | 134.7° | 65.0° |
| H12 | C6 | N2 | C2 | 13.7° | 35.0° |
| H12 | C6 | C7 | N3 | 5.3° | 60.0° |
| O2 | C7 | N3 | C9 | 2.4° | 0.0° |
| O2 | C7 | N3 | H16 | 177.6° | 180.0° |
| O3 | C8 | H13 | H14 | 120.6° | 120.0° |
| H13 | C8 | O3 | H15 | 154.3° | 60.1° |
| H14 | C8 | O3 | H15 | 85.3° | 60.0° |
| C9 | N3 | H16 | C7 | 180.0° | 180.0° |
| N3 | C9 | C10 | C11 | 128.5° | 120.0° |
| N3 | C9 | C10 | H17 | 117.5° | 120.0° |
| N3 | C9 | C11 | H17 | 118.3° | 120.1° |
| N3 | C9 | C10 | O4 | 33.8° | 0.0° |
| N3 | C9 | C11 | C12 | 70.2° | 65.0° |
| N3 | C9 | C11 | H18 | 169.5° | 54.9° |
| N3 | C9 | C11 | H19 | 50.0° | 175.0° |
| N3 | C9 | C10 | N5 | 147.7° | 180.0° |
| H16 | N3 | C9 | C10 | 72.0° | 25.0° |
| H16 | N3 | C9 | C11 | 53.1° | 95.0° |
| H16 | N3 | C9 | H17 | 171.0° | 144.9° |
| C10 | C9 | C11 | H17 | 114.0° | 119.9° |
| C9 | C10 | O4 | N5 | 178.4° | 180.0° |
| C10 | C9 | C11 | C12 | 57.5° | 175.0° |
| C10 | C9 | C11 | H18 | 62.8° | 65.1° |
| C10 | C9 | C11 | H19 | 177.8° | 55.0° |
| C9 | C10 | N5 | C14 | 177.4° | 175.0° |
| C9 | C10 | N5 | H24 | 2.6° | 5.0° |
| C10 | C9 | N3 | C7 | 108.0° | 155.0° |
| C11 | C9 | C10 | O4 | 94.7° | 120.0° |
| C9 | C11 | C12 | H18 | 120.3° | 120.0° |
| C9 | C11 | C12 | H19 | 120.3° | 120.0° |
| C9 | C11 | H18 | H19 | 119.2° | 120.1° |
| C9 | C11 | C12 | C13 | 153.1° | 180.0° |
| C9 | C11 | C12 | H20 | 85.2° | 60.0° |
| C9 | C11 | C12 | H21 | 31.4° | 60.0° |
| C11 | C9 | N3 | C7 | 126.9° | 85.0° |
| C11 | C9 | C10 | N5 | 83.8° | 60.0° |
| H17 | C9 | C10 | O4 | 151.2° | 120.0° |
| H17 | C9 | C11 | C12 | 171.4° | 55.1° |
| H17 | C9 | C11 | H18 | 51.2° | 175.0° |
| H17 | C9 | C11 | H19 | 68.3° | 64.9° |
| H17 | C9 | N3 | C7 | 9.0° | 35.0° |
| H17 | C9 | C10 | N5 | 30.3° | 60.0° |
| O4 | C10 | N5 | C14 | 4.2° | 5.0° |
| O4 | C10 | N5 | H24 | 175.8° | 175.0° |
| C12 | C11 | H18 | H19 | 119.2° | 120.0° |
| C11 | C12 | C13 | H20 | 121.7° | 120.0° |
| C11 | C12 | C13 | H21 | 121.7° | 120.0° |
| C11 | C12 | H20 | H21 | 114.4° | 120.0° |
| C11 | C12 | C13 | O5 | 174.9° | 0.0° |
| C11 | C12 | C13 | N4 | 6.7° | 180.0° |
| H18 | C11 | C12 | C13 | 32.8° | 60.0° |
| H18 | C11 | C12 | H20 | 154.5° | 180.0° |
| H18 | C11 | C12 | H21 | 88.9° | 60.0° |
| H19 | C11 | C12 | C13 | 86.6° | 60.0° |
| H19 | C11 | C12 | H20 | 35.1° | 60.0° |
| H19 | C11 | C12 | H21 | 151.7° | 180.0° |
| C13 | C12 | H20 | H21 | 114.4° | 120.0° |
| C12 | C13 | O5 | N4 | 178.2° | 180.0° |
| C12 | C13 | N4 | H22 | 178.2° | 0.0° |
| C12 | C13 | N4 | H23 | 1.8° | 179.9° |
| H20 | C12 | C13 | O5 | 53.3° | 120.0° |
| H20 | C12 | C13 | N4 | 128.4° | 60.0° |
| H21 | C12 | C13 | O5 | 63.4° | 120.0° |
| H21 | C12 | C13 | N4 | 115.0° | 60.0° |
| O5 | C13 | N4 | H22 | 0.0° | 180.0° |
| O5 | C13 | N4 | H23 | 180.0° | 0.1° |
| C13 | N4 | H22 | H23 | 180.0° | 179.9° |
| C14 | N5 | H24 | C10 | 180.0° | 180.0° |
| N5 | C14 | C15 | C16 | 123.1° | 119.9° |
| N5 | C14 | C15 | H25 | 124.3° | 120.1° |
| N5 | C14 | C16 | H25 | 117.8° | 120.0° |
| N5 | C14 | C15 | O6 | 89.6° | 0.1° |
| N5 | C14 | C16 | C17 | 60.6° | 63.6° |
| N5 | C14 | C16 | H26 | 58.5° | 56.4° |
| N5 | C14 | C16 | H27 | 179.7° | 176.4° |
| N5 | C14 | C15 | N7 | 100.7° | 180.0° |
| H24 | N5 | C14 | C15 | 41.9° | 98.6° |
| H24 | N5 | C14 | C16 | 77.3° | 21.4° |
| H24 | N5 | C14 | H25 | 165.8° | 141.4° |
| C15 | C14 | C16 | H25 | 112.9° | 120.0° |
| C14 | C15 | O6 | N7 | 168.6° | 179.9° |
| C15 | C14 | C16 | C17 | 170.1° | 176.5° |
| C15 | C14 | C16 | H26 | 70.7° | 63.5° |
| C15 | C14 | C16 | H27 | 51.1° | 56.5° |
| C14 | C15 | N7 | C22 | 178.3° | 179.9° |
| C14 | C15 | N7 | H41 | 1.8° | 0.0° |
| C15 | C14 | N5 | C10 | 138.1° | 81.4° |
| C16 | C14 | C15 | O6 | 33.5° | 120.0° |
| C14 | C16 | C17 | H26 | 119.1° | 120.0° |
| C14 | C16 | C17 | H27 | 119.1° | 120.0° |
| C14 | C16 | H26 | H27 | 122.7° | 120.1° |
| C14 | C16 | C17 | O7 | 101.5° | 5.4° |
| C14 | C16 | C17 | N6 | 72.8° | 174.6° |
| C16 | C14 | C15 | N7 | 136.1° | 60.1° |
| C16 | C14 | N5 | C10 | 102.7° | 158.6° |
| H25 | C14 | C15 | O6 | 146.1° | 120.0° |
| H25 | C14 | C16 | C17 | 57.2° | 56.5° |
| H25 | C14 | C16 | H26 | 176.3° | 176.4° |
| H25 | C14 | C16 | H27 | 61.9° | 63.5° |
| H25 | C14 | C15 | N7 | 23.5° | 59.9° |
| H25 | C14 | N5 | C10 | 14.2° | 38.6° |
| O6 | C15 | N7 | C22 | 12.2° | 0.0° |
| O6 | C15 | N7 | H41 | 167.7° | 179.9° |
| C17 | C16 | H26 | H27 | 122.7° | 119.9° |
| C16 | C17 | O7 | N6 | 173.0° | 180.0° |
| C16 | C17 | N6 | H28 | 173.5° | 0.0° |
| C16 | C17 | N6 | H29 | 6.5° | 180.0° |
| H26 | C16 | C17 | O7 | 17.6° | 125.5° |
| H26 | C16 | C17 | N6 | 168.1° | 54.5° |
| H27 | C16 | C17 | O7 | 139.4° | 114.6° |
| H27 | C16 | C17 | N6 | 46.3° | 65.4° |
| O7 | C17 | N6 | H28 | 0.0° | 180.0° |
| O7 | C17 | N6 | H29 | 180.0° | 0.0° |
| C17 | N6 | H28 | H29 | 180.0° | 180.0° |
| C20 | C18 | H30 | H31 | 120.0° | 120.0° |
| C20 | C18 | H30 | H32 | 120.0° | 120.0° |
| C20 | C18 | H31 | H32 | 120.0° | 120.0° |
| C18 | C20 | C19 | C21 | 121.0° | 120.0° |
| C18 | C20 | C19 | H36 | 118.0° | 120.0° |
| C18 | C20 | C19 | H33 | 180.0° | 60.0° |
| C18 | C20 | C19 | H34 | 60.0° | 60.0° |
| C18 | C20 | C19 | H35 | 60.0° | 180.0° |
| C18 | C20 | C21 | H36 | 124.9° | 120.0° |
| C18 | C20 | C21 | C22 | 60.1° | 175.0° |
| C18 | C20 | C21 | H37 | 179.1° | 65.0° |
| C18 | C20 | C21 | H38 | 60.7° | 55.0° |
| H30 | C18 | H31 | H32 | 120.0° | 120.0° |
| H30 | C18 | C20 | C19 | 180.0° | 60.0° |
| H30 | C18 | C20 | C21 | 62.6° | 180.0° |
| H30 | C18 | C20 | H36 | 62.2° | 60.0° |
| H31 | C18 | C20 | C19 | 60.0° | 180.0° |
| H31 | C18 | C20 | C21 | 57.4° | 60.0° |
| H31 | C18 | C20 | H36 | 177.8° | 60.0° |
| H32 | C18 | C20 | C19 | 60.0° | 60.0° |
| H32 | C18 | C20 | C21 | 177.4° | 60.0° |
| H32 | C18 | C20 | H36 | 57.8° | 180.0° |
| C20 | C19 | H33 | H34 | 120.0° | 119.9° |
| C20 | C19 | H33 | H35 | 120.0° | 120.0° |
| C20 | C19 | H34 | H35 | 120.0° | 119.9° |
| C19 | C20 | C21 | H36 | 121.1° | 120.0° |
| C19 | C20 | C21 | C22 | 174.1° | 65.0° |
| C19 | C20 | C21 | H37 | 65.1° | 55.0° |
| C19 | C20 | C21 | H38 | 53.3° | 175.0° |
| H33 | C19 | H34 | H35 | 120.0° | 120.1° |
| H33 | C19 | C20 | C21 | 59.0° | 180.0° |
| H33 | C19 | C20 | H36 | 62.1° | 60.1° |
| H34 | C19 | C20 | C21 | 179.0° | 60.0° |
| H34 | C19 | C20 | H36 | 58.0° | 180.0° |
| H35 | C19 | C20 | C21 | 61.0° | 60.0° |
| H35 | C19 | C20 | H36 | 178.0° | 60.0° |
| C20 | C21 | C22 | H37 | 120.8° | 120.0° |
| C20 | C21 | C22 | H38 | 120.8° | 120.0° |
| C20 | C21 | H37 | H38 | 117.5° | 120.0° |
| C20 | C21 | C22 | C23 | 157.0° | 175.0° |
| C20 | C21 | C22 | N7 | 74.5° | 65.0° |
| C20 | C21 | C22 | H39 | 37.8° | 55.0° |
| H36 | C20 | C21 | C22 | 64.8° | 55.0° |
| H36 | C20 | C21 | H37 | 56.0° | 175.0° |
| H36 | C20 | C21 | H38 | 174.4° | 65.0° |
| C22 | C21 | H37 | H38 | 117.5° | 120.0° |
| C21 | C22 | C23 | N7 | 123.3° | 120.0° |
| C21 | C22 | C23 | H39 | 119.0° | 120.0° |
| C21 | C22 | N7 | H39 | 112.0° | 120.0° |
| C21 | C22 | C23 | O8 | 50.5° | 60.0° |
| C21 | C22 | C23 | C24 | 173.9° | 180.0° |
| C21 | C22 | C23 | H40 | 61.9° | 60.0° |
| C21 | C22 | N7 | H41 | 47.3° | 95.0° |
| C21 | C22 | N7 | C15 | 132.7° | 85.0° |
| H37 | C21 | C22 | C23 | 36.2° | 55.0° |
| H37 | C21 | C22 | N7 | 164.7° | 175.0° |
| H37 | C21 | C22 | H39 | 83.0° | 65.0° |
| H38 | C21 | C22 | C23 | 82.2° | 65.0° |
| H38 | C21 | C22 | N7 | 46.2° | 55.0° |
| H38 | C21 | C22 | H39 | 158.6° | 175.0° |
| C23 | C22 | N7 | H39 | 117.5° | 120.0° |
| C22 | C23 | O8 | C24 | 137.5° | 120.0° |
| C22 | C23 | O8 | H40 | 111.8° | 120.0° |
| C22 | C23 | C24 | H40 | 112.0° | 120.0° |
| C23 | C22 | N7 | H41 | 83.3° | 25.0° |
| C22 | C23 | O8 | H42 | 180.0° | 64.7° |
| C22 | C23 | C24 | C25 | 133.3° | 174.0° |
| C22 | C23 | C24 | H43 | 106.1° | 66.0° |
| C22 | C23 | C24 | H44 | 12.8° | 54.0° |
| C23 | C22 | N7 | C15 | 96.7° | 155.0° |
| N7 | C22 | C23 | O8 | 72.8° | 60.0° |
| N7 | C22 | C23 | C24 | 62.9° | 60.0° |
| N7 | C22 | C23 | H40 | 174.8° | 180.0° |
| C22 | N7 | H41 | C15 | 180.0° | 180.0° |
| H39 | C22 | C23 | O8 | 169.5° | 180.0° |
| H39 | C22 | C23 | C24 | 54.8° | 60.0° |
| H39 | C22 | C23 | H40 | 57.2° | 60.0° |
| H39 | C22 | N7 | H41 | 159.3° | 145.0° |
| H39 | C22 | N7 | C15 | 20.8° | 35.0° |
| O8 | C23 | C24 | H40 | 111.3° | 120.0° |
| O8 | C23 | C24 | C25 | 90.0° | 66.0° |
| O8 | C23 | C24 | H43 | 30.6° | 54.0° |
| O8 | C23 | C24 | H44 | 149.5° | 174.0° |
| C24 | C23 | O8 | H42 | 42.5° | 55.3° |
| C23 | C24 | C25 | H43 | 120.5° | 120.0° |
| C23 | C24 | C25 | H44 | 120.6° | 119.9° |
| C23 | C24 | H43 | H44 | 118.4° | 120.0° |
| C23 | C24 | C25 | C26 | 176.6° | 66.6° |
| C23 | C24 | C25 | C29 | 56.2° | 173.4° |
| C23 | C24 | C25 | H45 | 62.4° | 53.3° |
| H40 | C23 | O8 | H42 | 68.2° | 175.3° |
| H40 | C23 | C24 | C25 | 21.3° | 54.0° |
| H40 | C23 | C24 | H43 | 141.9° | 174.0° |
| H40 | C23 | C24 | H44 | 99.2° | 65.9° |
| C25 | C24 | H43 | H44 | 118.4° | 120.0° |
| C24 | C25 | C26 | C29 | 127.8° | 120.0° |
| C24 | C25 | C26 | H45 | 114.4° | 120.1° |
| C24 | C25 | C29 | H45 | 118.5° | 120.1° |
| C24 | C25 | C26 | C27 | 146.2° | 58.4° |
| C24 | C25 | C26 | C28 | 92.3° | 178.4° |
| C24 | C25 | C26 | H46 | 26.1° | 61.6° |
| C24 | C25 | C29 | O9 | 31.7° | 10.8° |
| C24 | C25 | C29 | N8 | 149.7° | 169.1° |
| H43 | C24 | C25 | C26 | 56.0° | 53.4° |
| H43 | C24 | C25 | C29 | 176.7° | 66.5° |
| H43 | C24 | C25 | H45 | 58.2° | 173.4° |
| H44 | C24 | C25 | C26 | 62.9° | 173.4° |
| H44 | C24 | C25 | C29 | 64.4° | 53.5° |
| H44 | C24 | C25 | H45 | 177.1° | 66.6° |
| C26 | C25 | C29 | H45 | 117.7° | 119.9° |
| C25 | C26 | C27 | C28 | 124.7° | 120.0° |
| C25 | C26 | C27 | H46 | 120.0° | 120.0° |
| C25 | C26 | C28 | H46 | 118.1° | 120.0° |
| C25 | C26 | C27 | H47 | 180.0° | 64.5° |
| C25 | C26 | C27 | H48 | 60.0° | 175.4° |
| C25 | C26 | C27 | H49 | 60.0° | 55.5° |
| C25 | C26 | C28 | H50 | 180.0° | 58.5° |
| C25 | C26 | C28 | H51 | 60.0° | 178.5° |
| C25 | C26 | C28 | H52 | 60.0° | 61.5° |
| C26 | C25 | C29 | O9 | 92.1° | 109.1° |
| C26 | C25 | C29 | N8 | 86.5° | 71.0° |
| C29 | C25 | C26 | C27 | 18.4° | 61.5° |
| C29 | C25 | C26 | C28 | 139.9° | 58.4° |
| C29 | C25 | C26 | H46 | 101.7° | 178.4° |
| C25 | C29 | O9 | N8 | 178.6° | 179.9° |
| C25 | C29 | N8 | C30 | 172.9° | 177.8° |
| C25 | C29 | N8 | H53 | 7.1° | 2.1° |
| H45 | C25 | C26 | C27 | 99.4° | 178.5° |
| H45 | C25 | C26 | C28 | 22.1° | 61.6° |
| H45 | C25 | C26 | H46 | 140.5° | 58.4° |
| H45 | C25 | C29 | O9 | 150.2° | 130.9° |
| H45 | C25 | C29 | N8 | 31.1° | 49.0° |
| C27 | C26 | C28 | H46 | 115.1° | 120.0° |
| C26 | C27 | H47 | H48 | 120.0° | 120.0° |
| C26 | C27 | H47 | H49 | 120.0° | 120.0° |
| C26 | C27 | H48 | H49 | 120.0° | 119.9° |
| C27 | C26 | C28 | H50 | 53.2° | 178.4° |
| C27 | C26 | C28 | H51 | 66.8° | 61.6° |
| C27 | C26 | C28 | H52 | 173.2° | 58.5° |
| C28 | C26 | C27 | H47 | 55.3° | 55.4° |
| C28 | C26 | C27 | H48 | 175.3° | 64.6° |
| C28 | C26 | C27 | H49 | 64.7° | 175.5° |
| C26 | C28 | H50 | H51 | 120.0° | 120.1° |
| C26 | C28 | H50 | H52 | 120.0° | 120.0° |
| C26 | C28 | H51 | H52 | 120.0° | 120.1° |
| H46 | C26 | C27 | H47 | 60.0° | 175.5° |
| H46 | C26 | C27 | H48 | 60.0° | 55.4° |
| H46 | C26 | C27 | H49 | 180.0° | 64.5° |
| H46 | C26 | C28 | H50 | 61.9° | 61.5° |
| H46 | C26 | C28 | H51 | 178.1° | 58.5° |
| H46 | C26 | C28 | H52 | 58.1° | 178.5° |
| H47 | C27 | H48 | H49 | 119.9° | 120.0° |
| H50 | C28 | H51 | H52 | 120.0° | 119.9° |
| O9 | C29 | N8 | C30 | 5.8° | 2.3° |
| O9 | C29 | N8 | H53 | 174.2° | 177.8° |
| C30 | N8 | H53 | C29 | 180.0° | 179.9° |
| N8 | C30 | C31 | C32 | 132.8° | 120.0° |
| N8 | C30 | C31 | H54 | 111.7° | 120.0° |
| N8 | C30 | C32 | H54 | 120.9° | 120.0° |
| N8 | C30 | C31 | O10 | 52.0° | 1.7° |
| N8 | C30 | C32 | C33 | 158.8° | 52.8° |
| N8 | C30 | C32 | C34 | 89.7° | 67.1° |
| N8 | C30 | C32 | H55 | 34.7° | 172.8° |
| N8 | C30 | C31 | N9 | 123.9° | 178.3° |
| H53 | N8 | C30 | C31 | 41.2° | 32.5° |
| H53 | N8 | C30 | C32 | 87.3° | 87.5° |
| H53 | N8 | C30 | H54 | 152.3° | 152.5° |
| C31 | C30 | C32 | H54 | 115.5° | 120.0° |
| C30 | C31 | O10 | N9 | 175.8° | 180.0° |
| C31 | C30 | C32 | C33 | 77.6° | 67.2° |
| C31 | C30 | C32 | C34 | 33.9° | 172.8° |
| C31 | C30 | C32 | H55 | 158.3° | 52.7° |
| C30 | C31 | N9 | C36 | 177.2° | 175.6° |
| C30 | C31 | N9 | H64 | 2.8° | 4.4° |
| C31 | C30 | N8 | C29 | 138.8° | 147.4° |
| C32 | C30 | C31 | O10 | 80.8° | 118.3° |
| C30 | C32 | C33 | C34 | 120.0° | 120.0° |
| C30 | C32 | C33 | H55 | 124.2° | 120.0° |
| C30 | C32 | C34 | H55 | 124.6° | 120.1° |
| C30 | C32 | C33 | C35 | 11.2° | 68.5° |
| C30 | C32 | C33 | H56 | 132.0° | 171.5° |
| C30 | C32 | C33 | H57 | 109.6° | 51.4° |
| C30 | C32 | C34 | H58 | 180.0° | 65.5° |
| C30 | C32 | C34 | H59 | 60.0° | 174.5° |
| C30 | C32 | C34 | H60 | 60.0° | 54.6° |
| C32 | C30 | N8 | C29 | 92.8° | 92.5° |
| C32 | C30 | C31 | N9 | 103.3° | 61.7° |
| H54 | C30 | C31 | O10 | 163.7° | 121.7° |
| H54 | C30 | C32 | C33 | 37.9° | 172.8° |
| H54 | C30 | C32 | C34 | 149.4° | 52.8° |
| H54 | C30 | C32 | H55 | 86.1° | 67.2° |
| H54 | C30 | N8 | C29 | 27.7° | 27.4° |
| H54 | C30 | C31 | N9 | 12.2° | 58.3° |
| O10 | C31 | N9 | C36 | 7.1° | 4.4° |
| O10 | C31 | N9 | H64 | 172.9° | 175.6° |
| C33 | C32 | C34 | H55 | 115.9° | 119.9° |
| C32 | C33 | C35 | H56 | 120.8° | 120.0° |
| C32 | C33 | C35 | H57 | 120.8° | 119.9° |
| C32 | C33 | H56 | H57 | 117.4° | 120.0° |
| C33 | C32 | C34 | H58 | 60.5° | 54.5° |
| C33 | C32 | C34 | H59 | 179.5° | 65.5° |
| C33 | C32 | C34 | H60 | 59.4° | 174.6° |
| C32 | C33 | C35 | H61 | 180.0° | 70.8° |
| C32 | C33 | C35 | H62 | 60.0° | 49.1° |
| C32 | C33 | C35 | H63 | 60.0° | 169.2° |
| C34 | C32 | C33 | C35 | 131.3° | 171.5° |
| C34 | C32 | C33 | H56 | 107.9° | 51.4° |
| C34 | C32 | C33 | H57 | 10.4° | 68.6° |
| C32 | C34 | H58 | H59 | 120.0° | 120.0° |
| C32 | C34 | H58 | H60 | 120.0° | 120.0° |
| C32 | C34 | H59 | H60 | 120.0° | 119.9° |
| H55 | C32 | C33 | C35 | 112.9° | 51.5° |
| H55 | C32 | C33 | H56 | 7.9° | 68.5° |
| H55 | C32 | C33 | H57 | 126.2° | 171.4° |
| H55 | C32 | C34 | H58 | 55.4° | 174.4° |
| H55 | C32 | C34 | H59 | 64.6° | 54.4° |
| H55 | C32 | C34 | H60 | 175.4° | 65.5° |
| C35 | C33 | H56 | H57 | 117.4° | 120.0° |
| C33 | C35 | H61 | H62 | 120.0° | 120.0° |
| C33 | C35 | H61 | H63 | 120.0° | 120.0° |
| C33 | C35 | H62 | H63 | 120.0° | 120.0° |
| H56 | C33 | C35 | H61 | 59.2° | 169.1° |
| H56 | C33 | C35 | H62 | 179.2° | 70.9° |
| H56 | C33 | C35 | H63 | 60.8° | 49.1° |
| H57 | C33 | C35 | H61 | 59.2° | 49.1° |
| H57 | C33 | C35 | H62 | 60.9° | 169.1° |
| H57 | C33 | C35 | H63 | 179.2° | 70.9° |
| H58 | C34 | H59 | H60 | 119.9° | 120.1° |
| H61 | C35 | H62 | H63 | 120.0° | 119.9° |
| C36 | N9 | H64 | C31 | 180.0° | 180.0° |
| N9 | C36 | C37 | C38 | 129.7° | 120.0° |
| N9 | C36 | C37 | H65 | 111.7° | 120.0° |
| N9 | C36 | C38 | H65 | 114.8° | 120.0° |
| N9 | C36 | C37 | O11 | 27.3° | 0.1° |
| N9 | C36 | C37 | O12 | 157.0° | 180.0° |
| N9 | C36 | C38 | C39 | 75.9° | 60.0° |
| N9 | C36 | C38 | C40 | 53.1° | 60.0° |
| N9 | C36 | C38 | H66 | 169.8° | 180.0° |
| H64 | N9 | C36 | C37 | 53.7° | 25.0° |
| H64 | N9 | C36 | C38 | 80.2° | 95.0° |
| H64 | N9 | C36 | H65 | 165.2° | 145.0° |
| C37 | C36 | C38 | H65 | 118.5° | 120.0° |
| C36 | C37 | O11 | O12 | 175.1° | 179.9° |
| C37 | C36 | C38 | C39 | 157.4° | 180.0° |
| C37 | C36 | C38 | C40 | 73.6° | 60.1° |
| C37 | C36 | C38 | H66 | 43.1° | 59.9° |
| C36 | C37 | O12 | H73 | 175.2° | 180.0° |
| C37 | C36 | N9 | C31 | 126.3° | 155.0° |
| C38 | C36 | C37 | O11 | 102.4° | 120.0° |
| C38 | C36 | C37 | O12 | 73.2° | 59.9° |
| C36 | C38 | C39 | C40 | 133.0° | 119.9° |
| C36 | C38 | C39 | H66 | 114.5° | 120.0° |
| C36 | C38 | C40 | H66 | 116.7° | 120.0° |
| C36 | C38 | C39 | H67 | 180.0° | 180.0° |
| C36 | C38 | C39 | H68 | 60.0° | 60.1° |
| C36 | C38 | C39 | H69 | 60.0° | 60.0° |
| C36 | C38 | C40 | H70 | 180.0° | 60.0° |
| C36 | C38 | C40 | H71 | 60.0° | 180.0° |
| C36 | C38 | C40 | H72 | 60.0° | 60.0° |
| C38 | C36 | N9 | C31 | 99.8° | 85.0° |
| H65 | C36 | C37 | O11 | 139.1° | 120.1° |
| H65 | C36 | C37 | O12 | 45.3° | 60.0° |
| H65 | C36 | C38 | C39 | 39.0° | 60.0° |
| H65 | C36 | C38 | C40 | 167.9° | 180.0° |
| H65 | C36 | C38 | H66 | 75.4° | 60.0° |
| H65 | C36 | N9 | C31 | 14.9° | 35.0° |
| O11 | C37 | O12 | H73 | 0.0° | 0.1° |
| C39 | C38 | C40 | H66 | 112.4° | 120.1° |
| C38 | C39 | H67 | H68 | 120.0° | 119.9° |
| C38 | C39 | H67 | H69 | 120.0° | 120.0° |
| C38 | C39 | H68 | H69 | 120.0° | 120.0° |
| C39 | C38 | C40 | H70 | 49.1° | 180.0° |
| C39 | C38 | C40 | H71 | 70.9° | 60.1° |
| C39 | C38 | C40 | H72 | 169.1° | 60.0° |
| C40 | C38 | C39 | H67 | 47.0° | 60.1° |
| C40 | C38 | C39 | H68 | 167.0° | 180.0° |
| C40 | C38 | C39 | H69 | 73.0° | 59.9° |
| C38 | C40 | H70 | H71 | 120.0° | 120.0° |
| C38 | C40 | H70 | H72 | 120.0° | 120.0° |
| C38 | C40 | H71 | H72 | 120.0° | 120.1° |
| H66 | C38 | C39 | H67 | 65.5° | 60.0° |
| H66 | C38 | C39 | H68 | 54.5° | 60.0° |
| H66 | C38 | C39 | H69 | 174.5° | 180.0° |
| H66 | C38 | C40 | H70 | 63.3° | 60.0° |
| H66 | C38 | C40 | H71 | 176.7° | 60.0° |
| H66 | C38 | C40 | H72 | 56.7° | 180.0° |
| H67 | C39 | H68 | H69 | 120.0° | 120.0° |
| H70 | C40 | H71 | H72 | 120.0° | 120.0° |
