PRD_000826
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C1 | sing | 1.48Å | 1.47Å | |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| C1 | C2 | sing | 1.51Å | 1.56Å | |
| C1 | C3 | sing | 1.53Å | 1.54Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C2 | O1 | doub | 1.21Å | 1.26Å | |
| C3 | O2 | sing | 1.43Å | 1.41Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C3 | H4 | sing | 1.09Å | 1.10Å | |
| O2 | H5 | sing | 0.97Å | 0.95Å | |
| N2 | C4 | sing | 1.48Å | 1.47Å | |
| N2 | H6 | sing | 0.97Å | 1.00Å | |
| C4 | C5 | sing | 1.51Å | 1.56Å | |
| C4 | C6 | sing | 1.53Å | 1.56Å | |
| C4 | H7 | sing | 1.09Å | 1.10Å | |
| C5 | O3 | doub | 1.21Å | 1.24Å | |
| C6 | C7 | sing | 1.53Å | 1.52Å | |
| C6 | H8 | sing | 1.09Å | 1.10Å | |
| C6 | H9 | sing | 1.09Å | 1.10Å | |
| C7 | C8 | sing | 1.53Å | 1.51Å | |
| C7 | H10 | sing | 1.09Å | 1.10Å | |
| C7 | H11 | sing | 1.09Å | 1.10Å | |
| C8 | N3 | sing | 1.47Å | 1.47Å | |
| C8 | H12 | sing | 1.09Å | 1.10Å | |
| C8 | H13 | sing | 1.09Å | 1.10Å | |
| N3 | C9 | sing | 1.37Å | 1.34Å | |
| N3 | H14 | sing | 0.97Å | 1.00Å | |
| C9 | N4 | sing | 1.33Å | 1.33Å | |
| C9 | N5 | doub | 1.33Å | 1.33Å | |
| N4 | H15 | sing | 0.97Å | 1.00Å | |
| N4 | H16 | sing | 0.97Å | 1.00Å | |
| N5 | H17 | sing | 0.97Å | 1.00Å | |
| N5 | H18 | sing | 0.97Å | 1.00Å | |
| N6 | C10 | sing | 1.48Å | 1.47Å | |
| N6 | H19 | sing | 0.97Å | 1.00Å | |
| C10 | C11 | sing | 1.51Å | 1.53Å | |
| C10 | C12 | sing | 1.53Å | 1.53Å | |
| C10 | H20 | sing | 1.09Å | 1.10Å | |
| C11 | O4 | doub | 1.21Å | 1.22Å | |
| C12 | C13 | sing | 1.53Å | 1.52Å | |
| C12 | H21 | sing | 1.09Å | 1.10Å | |
| C12 | H22 | sing | 1.09Å | 1.10Å | |
| C13 | C14 | sing | 1.53Å | 1.52Å | |
| C13 | H23 | sing | 1.09Å | 1.10Å | |
| C13 | H24 | sing | 1.09Å | 1.10Å | |
| C14 | C15 | sing | 1.53Å | 1.52Å | |
| C14 | H25 | sing | 1.09Å | 1.10Å | |
| C14 | H26 | sing | 1.09Å | 1.10Å | |
| C15 | N7 | sing | 1.47Å | 1.48Å | |
| C15 | H27 | sing | 1.09Å | 1.10Å | |
| C15 | H28 | sing | 1.09Å | 1.10Å | |
| N7 | H29 | sing | 1.01Å | 1.00Å | |
| N7 | H30 | sing | 1.01Å | 1.00Å | |
| N7 | H31 | sing | 1.01Å | 1.00Å | |
| N8 | C16 | sing | 1.48Å | 1.50Å | |
| N8 | H32 | sing | 0.97Å | 1.00Å | |
| C16 | C17 | sing | 1.51Å | 1.52Å | |
| C16 | C18 | sing | 1.53Å | 1.60Å | |
| C16 | H33 | sing | 1.09Å | 1.10Å | |
| C17 | O5 | doub | 1.21Å | 1.26Å | |
| C18 | C19 | sing | 1.53Å | 1.52Å | |
| C18 | C20 | sing | 1.53Å | 1.56Å | |
| C18 | H34 | sing | 1.09Å | 1.10Å | |
| C19 | C21 | sing | 1.53Å | 1.54Å | |
| C19 | H35 | sing | 1.09Å | 1.10Å | |
| C19 | H36 | sing | 1.09Å | 1.10Å | |
| C20 | H37 | sing | 1.09Å | 1.10Å | |
| C20 | H38 | sing | 1.09Å | 1.10Å | |
| C20 | H39 | sing | 1.09Å | 1.10Å | |
| C21 | H40 | sing | 1.09Å | 1.10Å | |
| C21 | H41 | sing | 1.09Å | 1.10Å | |
| C21 | H42 | sing | 1.09Å | 1.10Å | |
| N9 | C22 | sing | 1.48Å | 1.47Å | |
| N9 | H43 | sing | 0.97Å | 1.00Å | |
| C22 | C23 | sing | 1.51Å | 1.51Å | |
| C22 | C24 | sing | 1.53Å | 1.57Å | |
| C22 | H44 | sing | 1.09Å | 1.10Å | |
| C23 | O6 | doub | 1.21Å | 1.21Å | |
| C24 | C25 | sing | 1.51Å | 1.53Å | |
| C24 | H45 | sing | 1.09Å | 1.10Å | |
| C24 | H46 | sing | 1.09Å | 1.10Å | |
| C25 | O7 | doub | 1.21Å | 1.26Å | |
| C25 | O8 | sing | 1.34Å | 1.27Å | |
| O8 | H47 | sing | 0.97Å | 0.95Å | |
| N10 | C26 | sing | 1.48Å | 1.46Å | |
| N10 | H48 | sing | 0.97Å | 1.00Å | |
| C26 | C27 | sing | 1.51Å | 1.54Å | |
| C26 | C28 | sing | 1.53Å | 1.54Å | |
| C26 | H49 | sing | 1.09Å | 1.10Å | |
| C27 | O9 | doub | 1.21Å | 1.24Å | |
| C28 | C29 | sing | 1.51Å | 1.53Å | |
| C28 | H50 | sing | 1.09Å | 1.10Å | |
| C28 | H51 | sing | 1.09Å | 1.10Å | |
| C29 | O10 | doub | 1.21Å | 1.23Å | |
| C29 | N11 | sing | 1.35Å | 1.32Å | |
| N11 | H52 | sing | 0.97Å | 1.00Å | |
| N11 | H53 | sing | 0.97Å | 1.00Å | |
| N12 | C30 | sing | 1.48Å | 1.48Å | |
| N12 | H54 | sing | 0.97Å | 1.00Å | |
| C30 | C31 | sing | 1.51Å | 1.54Å | |
| C30 | C32 | sing | 1.53Å | 1.53Å | |
| C30 | H55 | sing | 1.09Å | 1.10Å | |
| C31 | O11 | doub | 1.21Å | 1.25Å | |
| C32 | C33 | sing | 1.53Å | 1.56Å | |
| C32 | H56 | sing | 1.09Å | 1.10Å | |
| C32 | H57 | sing | 1.09Å | 1.10Å | |
| C33 | C34 | sing | 1.53Å | 1.53Å | |
| C33 | C35 | sing | 1.53Å | 1.54Å | |
| C33 | H58 | sing | 1.09Å | 1.10Å | |
| C34 | H59 | sing | 1.09Å | 1.10Å | |
| C34 | H60 | sing | 1.09Å | 1.10Å | |
| C34 | H61 | sing | 1.09Å | 1.10Å | |
| C35 | H62 | sing | 1.09Å | 1.10Å | |
| C35 | H63 | sing | 1.09Å | 1.10Å | |
| C35 | H64 | sing | 1.09Å | 1.10Å | |
| N13 | C36 | sing | 1.48Å | 1.48Å | |
| N13 | H65 | sing | 0.97Å | 1.00Å | |
| C36 | C37 | sing | 1.51Å | 1.53Å | |
| C36 | C38 | sing | 1.53Å | 1.54Å | |
| C36 | H66 | sing | 1.09Å | 1.10Å | |
| C37 | O12 | doub | 1.21Å | 1.24Å | |
| C38 | C39 | sing | 1.51Å | 1.53Å | |
| C38 | H67 | sing | 1.09Å | 1.10Å | |
| C38 | H68 | sing | 1.09Å | 1.10Å | |
| C39 | O13 | doub | 1.21Å | 1.25Å | |
| C39 | O14 | sing | 1.34Å | 1.25Å | |
| O14 | H69 | sing | 0.97Å | 0.95Å | |
| N1 | C37 | sing | 1.37Å | 1.33Å | |
| C2 | N2 | sing | 1.36Å | 1.34Å | |
| C5 | N6 | sing | 1.37Å | 1.34Å | |
| C11 | N8 | sing | 1.36Å | 1.34Å | |
| C17 | N9 | sing | 1.37Å | 1.35Å | |
| C23 | N10 | sing | 1.36Å | 1.33Å | |
| C27 | N12 | sing | 1.37Å | 1.34Å | |
| C31 | N13 | sing | 1.36Å | 1.34Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | N1 | H1 | 117.6° | 122.3° |
| N1 | C1 | C2 | 113.9° | 108.6° |
| N1 | C1 | C3 | 107.3° | 109.6° |
| N1 | C1 | H2 | 108.9° | 109.6° |
| C1 | N1 | C37 | 124.7° | 115.5° |
| H1 | N1 | C37 | 117.6° | 122.2° |
| C2 | C1 | C3 | 110.6° | 109.6° |
| C2 | C1 | H2 | 107.8° | 109.6° |
| C1 | C2 | O1 | 121.9° | 120.5° |
| C1 | C2 | N2 | 115.9° | 119.1° |
| C3 | C1 | H2 | 108.1° | 109.7° |
| C1 | C3 | O2 | 110.7° | 109.4° |
| C1 | C3 | H3 | 109.2° | 109.5° |
| C1 | C3 | H4 | 109.1° | 109.5° |
| O1 | C2 | N2 | 122.2° | 120.5° |
| O2 | C3 | H3 | 109.2° | 109.5° |
| O2 | C3 | H4 | 109.2° | 109.5° |
| C3 | O2 | H5 | 109.5° | 114.0° |
| H3 | C3 | H4 | 109.5° | 109.5° |
| C4 | N2 | H6 | 118.7° | 121.7° |
| N2 | C4 | C5 | 112.1° | 108.8° |
| N2 | C4 | C6 | 109.2° | 109.6° |
| N2 | C4 | H7 | 107.8° | 109.6° |
| C4 | N2 | C2 | 122.5° | 116.6° |
| H6 | N2 | C2 | 118.8° | 121.7° |
| C5 | C4 | C6 | 113.8° | 109.5° |
| C5 | C4 | H7 | 106.8° | 109.6° |
| C4 | C5 | O3 | 121.1° | 120.6° |
| C4 | C5 | N6 | 116.9° | 118.8° |
| C6 | C4 | H7 | 106.8° | 109.7° |
| C4 | C6 | C7 | 117.8° | 109.4° |
| C4 | C6 | H8 | 107.3° | 109.5° |
| C4 | C6 | H9 | 107.4° | 109.5° |
| O3 | C5 | N6 | 122.0° | 120.7° |
| C7 | C6 | H8 | 107.3° | 109.5° |
| C7 | C6 | H9 | 107.4° | 109.5° |
| C6 | C7 | C8 | 114.2° | 109.5° |
| C6 | C7 | H10 | 108.3° | 109.5° |
| C6 | C7 | H11 | 108.3° | 109.5° |
| H8 | C6 | H9 | 109.5° | 109.5° |
| C8 | C7 | H10 | 108.3° | 109.5° |
| C8 | C7 | H11 | 108.3° | 109.5° |
| C7 | C8 | N3 | 109.7° | 109.5° |
| C7 | C8 | H12 | 109.4° | 109.5° |
| C7 | C8 | H13 | 109.4° | 109.5° |
| H10 | C7 | H11 | 109.4° | 109.5° |
| N3 | C8 | H12 | 109.4° | 109.5° |
| N3 | C8 | H13 | 109.4° | 109.5° |
| C8 | N3 | C9 | 125.1° | 120.0° |
| C8 | N3 | H14 | 117.5° | 119.9° |
| H12 | C8 | H13 | 109.4° | 109.4° |
| C9 | N3 | H14 | 117.5° | 120.1° |
| N3 | C9 | N4 | 120.9° | 120.0° |
| N3 | C9 | N5 | 119.9° | 120.0° |
| N4 | C9 | N5 | 119.2° | 120.0° |
| C9 | N4 | H15 | 120.0° | 120.0° |
| C9 | N4 | H16 | 120.0° | 120.0° |
| C9 | N5 | H17 | 120.0° | 120.0° |
| C9 | N5 | H18 | 120.0° | 120.0° |
| H15 | N4 | H16 | 120.0° | 120.0° |
| H17 | N5 | H18 | 120.0° | 120.0° |
| C10 | N6 | H19 | 118.9° | 122.3° |
| N6 | C10 | C11 | 107.6° | 108.6° |
| N6 | C10 | C12 | 109.0° | 109.6° |
| N6 | C10 | H20 | 110.6° | 109.6° |
| C10 | N6 | C5 | 122.3° | 115.4° |
| H19 | N6 | C5 | 118.8° | 122.3° |
| C11 | C10 | C12 | 110.0° | 109.6° |
| C11 | C10 | H20 | 109.8° | 109.6° |
| C10 | C11 | O4 | 118.1° | 120.5° |
| C10 | C11 | N8 | 119.6° | 119.1° |
| C12 | C10 | H20 | 109.7° | 109.8° |
| C10 | C12 | C13 | 114.6° | 109.5° |
| C10 | C12 | H21 | 108.2° | 109.4° |
| C10 | C12 | H22 | 108.2° | 109.4° |
| O4 | C11 | N8 | 122.3° | 120.4° |
| C13 | C12 | H21 | 108.2° | 109.6° |
| C13 | C12 | H22 | 108.2° | 109.5° |
| C12 | C13 | C14 | 110.8° | 109.4° |
| C12 | C13 | H23 | 109.1° | 109.5° |
| C12 | C13 | H24 | 109.1° | 109.5° |
| H21 | C12 | H22 | 109.4° | 109.4° |
| C14 | C13 | H23 | 109.1° | 109.5° |
| C14 | C13 | H24 | 109.1° | 109.4° |
| C13 | C14 | C15 | 107.2° | 109.4° |
| C13 | C14 | H25 | 110.0° | 109.5° |
| C13 | C14 | H26 | 110.0° | 109.5° |
| H23 | C13 | H24 | 109.5° | 109.5° |
| C15 | C14 | H25 | 110.0° | 109.5° |
| C15 | C14 | H26 | 110.0° | 109.5° |
| C14 | C15 | N7 | 114.3° | 109.5° |
| C14 | C15 | H27 | 108.2° | 109.5° |
| C14 | C15 | H28 | 108.3° | 109.5° |
| H25 | C14 | H26 | 109.5° | 109.4° |
| N7 | C15 | H27 | 108.3° | 109.5° |
| N7 | C15 | H28 | 108.2° | 109.4° |
| C15 | N7 | H29 | 109.5° | 109.5° |
| C15 | N7 | H30 | 109.5° | 109.5° |
| C15 | N7 | H31 | 109.5° | 109.5° |
| H27 | C15 | H28 | 109.5° | 109.5° |
| H29 | N7 | H30 | 109.4° | 109.4° |
| H29 | N7 | H31 | 109.5° | 109.5° |
| H30 | N7 | H31 | 109.5° | 109.5° |
| C16 | N8 | H32 | 118.5° | 121.7° |
| N8 | C16 | C17 | 110.3° | 108.9° |
| N8 | C16 | C18 | 111.3° | 109.6° |
| N8 | C16 | H33 | 108.8° | 109.5° |
| C16 | N8 | C11 | 123.0° | 116.6° |
| H32 | N8 | C11 | 118.5° | 121.7° |
| C17 | C16 | C18 | 110.1° | 109.6° |
| C17 | C16 | H33 | 108.6° | 109.6° |
| C16 | C17 | O5 | 120.6° | 120.6° |
| C16 | C17 | N9 | 115.2° | 118.8° |
| C18 | C16 | H33 | 107.6° | 109.7° |
| C16 | C18 | C19 | 109.1° | 109.5° |
| C16 | C18 | C20 | 114.8° | 109.5° |
| C16 | C18 | H34 | 107.4° | 109.5° |
| O5 | C17 | N9 | 124.1° | 120.6° |
| C19 | C18 | C20 | 109.2° | 109.5° |
| C19 | C18 | H34 | 108.3° | 109.4° |
| C18 | C19 | C21 | 113.4° | 109.5° |
| C18 | C19 | H35 | 108.5° | 109.5° |
| C18 | C19 | H36 | 108.5° | 109.5° |
| C20 | C18 | H34 | 107.9° | 109.5° |
| C18 | C20 | H37 | 109.5° | 109.5° |
| C18 | C20 | H38 | 109.5° | 109.5° |
| C18 | C20 | H39 | 109.4° | 109.4° |
| C21 | C19 | H35 | 108.5° | 109.5° |
| C21 | C19 | H36 | 108.5° | 109.5° |
| C19 | C21 | H40 | 109.5° | 109.5° |
| C19 | C21 | H41 | 109.5° | 109.5° |
| C19 | C21 | H42 | 109.5° | 109.5° |
| H35 | C19 | H36 | 109.4° | 109.4° |
| H37 | C20 | H38 | 109.5° | 109.5° |
| H37 | C20 | H39 | 109.5° | 109.5° |
| H38 | C20 | H39 | 109.5° | 109.4° |
| H40 | C21 | H41 | 109.5° | 109.5° |
| H40 | C21 | H42 | 109.4° | 109.4° |
| H41 | C21 | H42 | 109.5° | 109.5° |
| C22 | N9 | H43 | 119.7° | 122.3° |
| N9 | C22 | C23 | 111.3° | 108.7° |
| N9 | C22 | C24 | 113.9° | 109.6° |
| N9 | C22 | H44 | 107.9° | 109.6° |
| C22 | N9 | C17 | 120.5° | 115.4° |
| H43 | N9 | C17 | 119.7° | 122.3° |
| C23 | C22 | C24 | 109.4° | 109.6° |
| C23 | C22 | H44 | 107.3° | 109.6° |
| C22 | C23 | O6 | 119.4° | 120.5° |
| C22 | C23 | N10 | 116.9° | 119.1° |
| C24 | C22 | H44 | 106.7° | 109.8° |
| C22 | C24 | C25 | 113.3° | 109.5° |
| C22 | C24 | H45 | 108.5° | 109.5° |
| C22 | C24 | H46 | 108.5° | 109.5° |
| O6 | C23 | N10 | 123.6° | 120.5° |
| C25 | C24 | H45 | 108.5° | 109.4° |
| C25 | C24 | H46 | 108.5° | 109.5° |
| C24 | C25 | O7 | 116.9° | 120.0° |
| C24 | C25 | O8 | 120.3° | 120.0° |
| H45 | C24 | H46 | 109.5° | 109.5° |
| O7 | C25 | O8 | 122.7° | 119.9° |
| C25 | O8 | H47 | 109.5° | 117.0° |
| C26 | N10 | H48 | 119.1° | 121.7° |
| N10 | C26 | C27 | 106.5° | 108.9° |
| N10 | C26 | C28 | 111.4° | 109.6° |
| N10 | C26 | H49 | 108.8° | 109.6° |
| C26 | N10 | C23 | 121.9° | 116.6° |
| H48 | N10 | C23 | 119.1° | 121.8° |
| C27 | C26 | C28 | 114.3° | 109.6° |
| C27 | C26 | H49 | 107.9° | 109.6° |
| C26 | C27 | O9 | 121.7° | 120.6° |
| C26 | C27 | N12 | 115.1° | 118.7° |
| C28 | C26 | H49 | 107.8° | 109.6° |
| C26 | C28 | C29 | 112.9° | 109.5° |
| C26 | C28 | H50 | 108.6° | 109.4° |
| C26 | C28 | H51 | 108.6° | 109.4° |
| O9 | C27 | N12 | 123.1° | 120.7° |
| C29 | C28 | H50 | 108.6° | 109.5° |
| C29 | C28 | H51 | 108.6° | 109.5° |
| C28 | C29 | O10 | 121.6° | 120.0° |
| C28 | C29 | N11 | 116.1° | 120.0° |
| H50 | C28 | H51 | 109.5° | 109.5° |
| O10 | C29 | N11 | 122.3° | 120.0° |
| C29 | N11 | H52 | 120.0° | 119.9° |
| C29 | N11 | H53 | 120.0° | 120.0° |
| H52 | N11 | H53 | 120.0° | 120.1° |
| C30 | N12 | H54 | 120.3° | 122.3° |
| N12 | C30 | C31 | 110.7° | 108.6° |
| N12 | C30 | C32 | 112.5° | 109.6° |
| N12 | C30 | H55 | 107.6° | 109.6° |
| C30 | N12 | C27 | 119.4° | 115.4° |
| H54 | N12 | C27 | 120.3° | 122.3° |
| C31 | C30 | C32 | 111.9° | 109.6° |
| C31 | C30 | H55 | 106.9° | 109.6° |
| C30 | C31 | O11 | 120.5° | 120.4° |
| C30 | C31 | N13 | 115.3° | 119.1° |
| C32 | C30 | H55 | 106.9° | 109.8° |
| C30 | C32 | C33 | 114.3° | 109.5° |
| C30 | C32 | H56 | 108.3° | 109.4° |
| C30 | C32 | H57 | 108.3° | 109.5° |
| O11 | C31 | N13 | 124.2° | 120.5° |
| C33 | C32 | H56 | 108.2° | 109.5° |
| C33 | C32 | H57 | 108.3° | 109.5° |
| C32 | C33 | C34 | 108.5° | 109.5° |
| C32 | C33 | C35 | 114.2° | 109.4° |
| C32 | C33 | H58 | 107.8° | 109.4° |
| H56 | C32 | H57 | 109.5° | 109.5° |
| C34 | C33 | C35 | 110.0° | 109.5° |
| C34 | C33 | H58 | 108.2° | 109.5° |
| C33 | C34 | H59 | 109.5° | 109.5° |
| C33 | C34 | H60 | 109.5° | 109.4° |
| C33 | C34 | H61 | 109.5° | 109.5° |
| C35 | C33 | H58 | 108.0° | 109.5° |
| C33 | C35 | H62 | 109.5° | 109.5° |
| C33 | C35 | H63 | 109.5° | 109.5° |
| C33 | C35 | H64 | 109.5° | 109.5° |
| H59 | C34 | H60 | 109.5° | 109.5° |
| H59 | C34 | H61 | 109.5° | 109.5° |
| H60 | C34 | H61 | 109.4° | 109.5° |
| H62 | C35 | H63 | 109.4° | 109.5° |
| H62 | C35 | H64 | 109.5° | 109.4° |
| H63 | C35 | H64 | 109.5° | 109.5° |
| C36 | N13 | H65 | 118.0° | 121.7° |
| N13 | C36 | C37 | 112.9° | 108.9° |
| N13 | C36 | C38 | 110.1° | 109.6° |
| N13 | C36 | H66 | 108.5° | 109.6° |
| C36 | N13 | C31 | 123.9° | 116.6° |
| H65 | N13 | C31 | 118.0° | 121.7° |
| C37 | C36 | C38 | 109.6° | 109.4° |
| C37 | C36 | H66 | 107.9° | 109.6° |
| C36 | C37 | O12 | 121.0° | 120.6° |
| C36 | C37 | N1 | 115.0° | 118.8° |
| C38 | C36 | H66 | 107.7° | 109.7° |
| C36 | C38 | C39 | 112.5° | 109.4° |
| C36 | C38 | H67 | 108.7° | 109.5° |
| C36 | C38 | H68 | 108.7° | 109.5° |
| O12 | C37 | N1 | 124.0° | 120.6° |
| C39 | C38 | H67 | 108.7° | 109.4° |
| C39 | C38 | H68 | 108.7° | 109.5° |
| C38 | C39 | O13 | 118.3° | 120.0° |
| C38 | C39 | O14 | 119.0° | 120.0° |
| H67 | C38 | H68 | 109.4° | 109.5° |
| O13 | C39 | O14 | 122.7° | 120.0° |
| C39 | O14 | H69 | 109.5° | 117.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | N1 | H1 | C37 | 180.0° | 179.7° |
| N1 | C1 | C2 | C3 | 121.0° | 119.7° |
| N1 | C1 | C2 | H2 | 121.0° | 119.7° |
| N1 | C1 | C3 | H2 | 117.3° | 120.4° |
| N1 | C1 | C2 | O1 | 171.9° | 32.8° |
| N1 | C1 | C3 | O2 | 127.1° | 175.3° |
| N1 | C1 | C3 | H3 | 6.9° | 64.7° |
| N1 | C1 | C3 | H4 | 112.7° | 55.3° |
| C1 | N1 | C37 | C36 | 179.9° | 179.8° |
| C1 | N1 | C37 | O12 | 0.9° | 0.1° |
| N1 | C1 | C2 | N2 | 6.7° | 147.2° |
| H1 | N1 | C1 | C2 | 92.1° | 49.4° |
| H1 | N1 | C1 | C3 | 30.7° | 169.1° |
| H1 | N1 | C1 | H2 | 147.5° | 70.4° |
| H1 | N1 | C37 | C36 | 0.1° | 0.4° |
| H1 | N1 | C37 | O12 | 179.1° | 179.8° |
| C2 | C1 | C3 | H2 | 117.8° | 120.5° |
| C1 | C2 | O1 | N2 | 178.5° | 180.0° |
| C2 | C1 | C3 | O2 | 108.1° | 56.2° |
| C2 | C1 | C3 | H3 | 131.7° | 176.2° |
| C2 | C1 | C3 | H4 | 12.1° | 63.8° |
| C1 | C2 | N2 | C4 | 176.3° | 179.9° |
| C1 | C2 | N2 | H6 | 3.7° | 0.1° |
| C2 | C1 | N1 | C37 | 87.9° | 130.9° |
| C3 | C1 | C2 | O1 | 50.9° | 152.5° |
| C1 | C3 | O2 | H3 | 120.2° | 120.0° |
| C1 | C3 | O2 | H4 | 120.2° | 120.0° |
| C1 | C3 | H3 | H4 | 119.4° | 120.0° |
| C1 | C3 | O2 | H5 | 180.0° | 180.0° |
| C3 | C1 | N1 | C37 | 149.3° | 11.1° |
| C3 | C1 | C2 | N2 | 127.7° | 27.5° |
| H2 | C1 | C2 | O1 | 67.1° | 87.0° |
| H2 | C1 | C3 | O2 | 9.7° | 64.3° |
| H2 | C1 | C3 | H3 | 110.4° | 55.7° |
| H2 | C1 | C3 | H4 | 129.9° | 175.7° |
| H2 | C1 | N1 | C37 | 32.5° | 109.4° |
| H2 | C1 | C2 | N2 | 114.3° | 93.0° |
| O1 | C2 | N2 | C4 | 2.3° | 0.1° |
| O1 | C2 | N2 | H6 | 177.7° | 179.9° |
| O2 | C3 | H3 | H4 | 119.4° | 120.0° |
| H3 | C3 | O2 | H5 | 59.8° | 60.0° |
| H4 | C3 | O2 | H5 | 59.8° | 60.0° |
| C4 | N2 | H6 | C2 | 180.0° | 180.0° |
| N2 | C4 | C5 | C6 | 124.6° | 119.8° |
| N2 | C4 | C5 | H7 | 117.8° | 119.8° |
| N2 | C4 | C6 | H7 | 116.3° | 120.4° |
| N2 | C4 | C5 | O3 | 150.6° | 30.8° |
| N2 | C4 | C6 | C7 | 174.3° | 65.0° |
| N2 | C4 | C6 | H8 | 53.2° | 54.9° |
| N2 | C4 | C6 | H9 | 64.5° | 175.0° |
| N2 | C4 | C5 | N6 | 30.4° | 149.1° |
| H6 | N2 | C4 | C5 | 110.4° | 48.7° |
| H6 | N2 | C4 | C6 | 122.5° | 71.0° |
| H6 | N2 | C4 | H7 | 6.8° | 168.5° |
| C5 | C4 | C6 | H7 | 117.6° | 120.3° |
| C4 | C5 | O3 | N6 | 178.9° | 179.9° |
| C5 | C4 | C6 | C7 | 59.6° | 175.6° |
| C5 | C4 | C6 | H8 | 179.2° | 64.4° |
| C5 | C4 | C6 | H9 | 61.6° | 55.7° |
| C4 | C5 | N6 | C10 | 179.1° | 180.0° |
| C4 | C5 | N6 | H19 | 0.9° | 0.0° |
| C5 | C4 | N2 | C2 | 69.6° | 131.3° |
| C6 | C4 | C5 | O3 | 26.0° | 89.0° |
| C4 | C6 | C7 | H8 | 121.2° | 120.0° |
| C4 | C6 | C7 | H9 | 121.2° | 120.0° |
| C4 | C6 | H8 | H9 | 116.2° | 120.1° |
| C4 | C6 | C7 | C8 | 54.9° | 180.0° |
| C4 | C6 | C7 | H10 | 175.6° | 60.0° |
| C4 | C6 | C7 | H11 | 65.8° | 60.0° |
| C6 | C4 | N2 | C2 | 57.5° | 108.9° |
| C6 | C4 | C5 | N6 | 155.0° | 91.1° |
| H7 | C4 | C5 | O3 | 91.6° | 150.6° |
| H7 | C4 | C6 | C7 | 58.0° | 55.3° |
| H7 | C4 | C6 | H8 | 63.2° | 175.3° |
| H7 | C4 | C6 | H9 | 179.2° | 64.6° |
| H7 | C4 | N2 | C2 | 173.2° | 11.5° |
| H7 | C4 | C5 | N6 | 87.4° | 29.3° |
| O3 | C5 | N6 | C10 | 1.9° | 0.1° |
| O3 | C5 | N6 | H19 | 178.1° | 179.9° |
| C7 | C6 | H8 | H9 | 116.2° | 120.0° |
| C6 | C7 | C8 | H10 | 120.7° | 120.0° |
| C6 | C7 | C8 | H11 | 120.7° | 120.0° |
| C6 | C7 | H10 | H11 | 117.8° | 120.0° |
| C6 | C7 | C8 | N3 | 149.7° | 180.0° |
| C6 | C7 | C8 | H12 | 29.6° | 60.0° |
| C6 | C7 | C8 | H13 | 90.3° | 59.9° |
| H8 | C6 | C7 | C8 | 66.2° | 60.1° |
| H8 | C6 | C7 | H10 | 54.5° | 180.0° |
| H8 | C6 | C7 | H11 | 173.0° | 60.0° |
| H9 | C6 | C7 | C8 | 176.1° | 60.0° |
| H9 | C6 | C7 | H10 | 63.2° | 60.0° |
| H9 | C6 | C7 | H11 | 55.4° | 180.0° |
| C8 | C7 | H10 | H11 | 117.8° | 120.0° |
| C7 | C8 | N3 | H12 | 120.0° | 120.0° |
| C7 | C8 | N3 | H13 | 120.1° | 120.1° |
| C7 | C8 | H12 | H13 | 119.9° | 120.0° |
| C7 | C8 | N3 | C9 | 92.9° | 180.0° |
| C7 | C8 | N3 | H14 | 87.1° | 0.1° |
| H10 | C7 | C8 | N3 | 89.6° | 60.0° |
| H10 | C7 | C8 | H12 | 150.3° | 179.9° |
| H10 | C7 | C8 | H13 | 30.4° | 60.0° |
| H11 | C7 | C8 | N3 | 28.9° | 60.0° |
| H11 | C7 | C8 | H12 | 91.1° | 60.0° |
| H11 | C7 | C8 | H13 | 149.0° | 179.9° |
| N3 | C8 | H12 | H13 | 119.9° | 120.0° |
| C8 | N3 | C9 | H14 | 180.0° | 179.9° |
| C8 | N3 | C9 | N4 | 1.5° | 0.1° |
| C8 | N3 | C9 | N5 | 179.2° | 180.0° |
| H12 | C8 | N3 | C9 | 27.1° | 60.0° |
| H12 | C8 | N3 | H14 | 152.9° | 120.1° |
| H13 | C8 | N3 | C9 | 147.0° | 59.9° |
| H13 | C8 | N3 | H14 | 33.0° | 120.0° |
| N3 | C9 | N4 | N5 | 179.3° | 179.9° |
| N3 | C9 | N4 | H15 | 179.2° | 0.1° |
| N3 | C9 | N4 | H16 | 0.8° | 180.0° |
| N3 | C9 | N5 | H17 | 179.3° | 0.1° |
| N3 | C9 | N5 | H18 | 0.7° | 180.0° |
| H14 | N3 | C9 | N4 | 178.5° | 180.0° |
| H14 | N3 | C9 | N5 | 0.8° | 0.1° |
| C9 | N4 | H15 | H16 | 180.0° | 179.9° |
| N4 | C9 | N5 | H17 | 0.0° | 180.0° |
| N4 | C9 | N5 | H18 | 180.0° | 0.1° |
| N5 | C9 | N4 | H15 | 0.0° | 180.0° |
| N5 | C9 | N4 | H16 | 180.0° | 0.1° |
| C9 | N5 | H17 | H18 | 180.0° | 179.9° |
| C10 | N6 | H19 | C5 | 180.0° | 180.0° |
| N6 | C10 | C11 | C12 | 118.6° | 119.7° |
| N6 | C10 | C11 | H20 | 120.4° | 119.7° |
| N6 | C10 | C12 | H20 | 121.3° | 120.5° |
| N6 | C10 | C11 | O4 | 30.2° | 33.4° |
| N6 | C10 | C12 | C13 | 55.9° | 63.7° |
| N6 | C10 | C12 | H21 | 64.8° | 176.2° |
| N6 | C10 | C12 | H22 | 176.7° | 56.3° |
| N6 | C10 | C11 | N8 | 151.4° | 146.6° |
| H19 | N6 | C10 | C11 | 60.1° | 50.9° |
| H19 | N6 | C10 | C12 | 59.1° | 170.6° |
| H19 | N6 | C10 | H20 | 179.9° | 68.8° |
| C11 | C10 | C12 | H20 | 121.0° | 120.4° |
| C10 | C11 | O4 | N8 | 178.4° | 179.9° |
| C11 | C10 | C12 | C13 | 173.7° | 55.4° |
| C11 | C10 | C12 | H21 | 53.0° | 64.7° |
| C11 | C10 | C12 | H22 | 65.5° | 175.4° |
| C10 | C11 | N8 | C16 | 175.5° | 179.9° |
| C10 | C11 | N8 | H32 | 4.6° | 0.2° |
| C11 | C10 | N6 | C5 | 119.9° | 129.1° |
| C12 | C10 | C11 | O4 | 88.5° | 153.1° |
| C10 | C12 | C13 | H21 | 120.8° | 120.0° |
| C10 | C12 | C13 | H22 | 120.8° | 120.0° |
| C10 | C12 | H21 | H22 | 117.7° | 119.9° |
| C10 | C12 | C13 | C14 | 67.6° | 174.7° |
| C10 | C12 | C13 | H23 | 52.6° | 54.7° |
| C10 | C12 | C13 | H24 | 172.2° | 65.3° |
| C12 | C10 | N6 | C5 | 120.9° | 9.4° |
| C12 | C10 | C11 | N8 | 90.0° | 26.9° |
| H20 | C10 | C11 | O4 | 150.6° | 86.3° |
| H20 | C10 | C12 | C13 | 65.3° | 175.8° |
| H20 | C10 | C12 | H21 | 173.9° | 55.7° |
| H20 | C10 | C12 | H22 | 55.4° | 64.2° |
| H20 | C10 | N6 | C5 | 0.1° | 111.2° |
| H20 | C10 | C11 | N8 | 30.9° | 93.6° |
| O4 | C11 | N8 | C16 | 3.0° | 0.0° |
| O4 | C11 | N8 | H32 | 177.0° | 179.9° |
| C13 | C12 | H21 | H22 | 117.7° | 120.1° |
| C12 | C13 | C14 | H23 | 120.2° | 120.1° |
| C12 | C13 | C14 | H24 | 120.2° | 120.0° |
| C12 | C13 | H23 | H24 | 119.4° | 120.1° |
| C12 | C13 | C14 | C15 | 165.8° | 174.6° |
| C12 | C13 | C14 | H25 | 74.6° | 65.4° |
| C12 | C13 | C14 | H26 | 46.1° | 54.6° |
| H21 | C12 | C13 | C14 | 171.7° | 65.3° |
| H21 | C12 | C13 | H23 | 68.2° | 174.7° |
| H21 | C12 | C13 | H24 | 51.4° | 54.7° |
| H22 | C12 | C13 | C14 | 53.2° | 54.8° |
| H22 | C12 | C13 | H23 | 173.4° | 65.2° |
| H22 | C12 | C13 | H24 | 67.0° | 174.7° |
| C14 | C13 | H23 | H24 | 119.4° | 119.9° |
| C13 | C14 | C15 | H25 | 119.6° | 120.0° |
| C13 | C14 | C15 | H26 | 119.6° | 120.0° |
| C13 | C14 | H25 | H26 | 121.0° | 120.0° |
| C13 | C14 | C15 | N7 | 162.0° | 174.9° |
| C13 | C14 | C15 | H27 | 77.3° | 54.9° |
| C13 | C14 | C15 | H28 | 41.3° | 65.1° |
| H23 | C13 | C14 | C15 | 45.6° | 54.5° |
| H23 | C13 | C14 | H25 | 165.2° | 174.6° |
| H23 | C13 | C14 | H26 | 74.1° | 65.5° |
| H24 | C13 | C14 | C15 | 74.0° | 65.5° |
| H24 | C13 | C14 | H25 | 45.6° | 54.6° |
| H24 | C13 | C14 | H26 | 166.4° | 174.6° |
| C15 | C14 | H25 | H26 | 121.0° | 120.0° |
| C14 | C15 | N7 | H27 | 120.7° | 120.1° |
| C14 | C15 | N7 | H28 | 120.7° | 120.0° |
| C14 | C15 | H27 | H28 | 117.8° | 120.0° |
| C14 | C15 | N7 | H29 | 180.0° | 55.2° |
| C14 | C15 | N7 | H30 | 60.0° | 64.8° |
| C14 | C15 | N7 | H31 | 60.0° | 175.2° |
| H25 | C14 | C15 | N7 | 42.3° | 65.1° |
| H25 | C14 | C15 | H27 | 163.0° | 174.9° |
| H25 | C14 | C15 | H28 | 78.4° | 54.9° |
| H26 | C14 | C15 | N7 | 78.4° | 55.0° |
| H26 | C14 | C15 | H27 | 42.3° | 65.1° |
| H26 | C14 | C15 | H28 | 160.9° | 174.9° |
| N7 | C15 | H27 | H28 | 117.8° | 120.0° |
| C15 | N7 | H29 | H30 | 120.0° | 120.0° |
| C15 | N7 | H29 | H31 | 120.0° | 120.0° |
| C15 | N7 | H30 | H31 | 120.0° | 120.0° |
| H27 | C15 | N7 | H29 | 59.3° | 175.2° |
| H27 | C15 | N7 | H30 | 179.3° | 55.3° |
| H27 | C15 | N7 | H31 | 60.7° | 64.7° |
| H28 | C15 | N7 | H29 | 59.3° | 64.8° |
| H28 | C15 | N7 | H30 | 60.7° | 175.3° |
| H28 | C15 | N7 | H31 | 179.3° | 55.3° |
| H29 | N7 | H30 | H31 | 120.0° | 120.0° |
| C16 | N8 | H32 | C11 | 180.0° | 179.9° |
| N8 | C16 | C17 | C18 | 123.2° | 119.8° |
| N8 | C16 | C17 | H33 | 119.2° | 119.8° |
| N8 | C16 | C18 | H33 | 119.2° | 120.3° |
| N8 | C16 | C17 | O5 | 140.9° | 30.8° |
| N8 | C16 | C18 | C19 | 76.4° | 175.0° |
| N8 | C16 | C18 | C20 | 160.7° | 65.0° |
| N8 | C16 | C18 | H34 | 40.8° | 55.0° |
| N8 | C16 | C17 | N9 | 38.6° | 149.2° |
| H32 | N8 | C16 | C17 | 128.5° | 47.9° |
| H32 | N8 | C16 | C18 | 6.0° | 72.0° |
| H32 | N8 | C16 | H33 | 112.4° | 167.7° |
| C17 | C16 | C18 | H33 | 118.2° | 120.3° |
| C16 | C17 | O5 | N9 | 179.5° | 180.0° |
| C17 | C16 | C18 | C19 | 160.9° | 65.6° |
| C17 | C16 | C18 | C20 | 38.1° | 54.3° |
| C17 | C16 | C18 | H34 | 81.8° | 174.4° |
| C16 | C17 | N9 | C22 | 172.2° | 179.9° |
| C16 | C17 | N9 | H43 | 7.8° | 0.1° |
| C17 | C16 | N8 | C11 | 51.5° | 132.1° |
| C18 | C16 | C17 | O5 | 95.8° | 89.0° |
| C16 | C18 | C19 | C20 | 126.2° | 120.0° |
| C16 | C18 | C19 | H34 | 116.7° | 120.0° |
| C16 | C18 | C20 | H34 | 119.7° | 120.0° |
| C16 | C18 | C19 | C21 | 79.2° | 65.0° |
| C16 | C18 | C19 | H35 | 41.4° | 175.0° |
| C16 | C18 | C19 | H36 | 160.3° | 55.0° |
| C16 | C18 | C20 | H37 | 180.0° | 60.0° |
| C16 | C18 | C20 | H38 | 60.0° | 180.0° |
| C16 | C18 | C20 | H39 | 60.0° | 60.1° |
| C18 | C16 | N8 | C11 | 174.0° | 108.1° |
| C18 | C16 | C17 | N9 | 84.7° | 91.0° |
| H33 | C16 | C17 | O5 | 21.8° | 150.6° |
| H33 | C16 | C18 | C19 | 42.8° | 54.7° |
| H33 | C16 | C18 | C20 | 80.1° | 174.7° |
| H33 | C16 | C18 | H34 | 160.0° | 65.3° |
| H33 | C16 | N8 | C11 | 67.6° | 12.3° |
| H33 | C16 | C17 | N9 | 157.8° | 29.4° |
| O5 | C17 | N9 | C22 | 8.3° | 0.1° |
| O5 | C17 | N9 | H43 | 171.7° | 179.9° |
| C19 | C18 | C20 | H34 | 117.5° | 120.0° |
| C18 | C19 | C21 | H35 | 120.6° | 120.0° |
| C18 | C19 | C21 | H36 | 120.6° | 120.0° |
| C18 | C19 | H35 | H36 | 118.2° | 120.0° |
| C19 | C18 | C20 | H37 | 57.1° | 60.0° |
| C19 | C18 | C20 | H38 | 177.2° | 60.0° |
| C19 | C18 | C20 | H39 | 62.8° | 180.0° |
| C18 | C19 | C21 | H40 | 180.0° | 60.0° |
| C18 | C19 | C21 | H41 | 60.0° | 180.0° |
| C18 | C19 | C21 | H42 | 60.0° | 60.0° |
| C20 | C18 | C19 | C21 | 47.0° | 175.0° |
| C20 | C18 | C19 | H35 | 167.6° | 55.0° |
| C20 | C18 | C19 | H36 | 73.6° | 64.9° |
| C18 | C20 | H37 | H38 | 120.0° | 120.0° |
| C18 | C20 | H37 | H39 | 120.0° | 120.0° |
| C18 | C20 | H38 | H39 | 120.0° | 119.9° |
| H34 | C18 | C19 | C21 | 164.2° | 55.0° |
| H34 | C18 | C19 | H35 | 75.2° | 65.0° |
| H34 | C18 | C19 | H36 | 43.6° | 175.1° |
| H34 | C18 | C20 | H37 | 60.3° | 180.0° |
| H34 | C18 | C20 | H38 | 59.7° | 60.0° |
| H34 | C18 | C20 | H39 | 179.7° | 60.0° |
| C21 | C19 | H35 | H36 | 118.2° | 120.0° |
| C19 | C21 | H40 | H41 | 120.0° | 120.0° |
| C19 | C21 | H40 | H42 | 120.0° | 120.0° |
| C19 | C21 | H41 | H42 | 120.0° | 120.0° |
| H35 | C19 | C21 | H40 | 59.4° | 60.0° |
| H35 | C19 | C21 | H41 | 179.4° | 60.0° |
| H35 | C19 | C21 | H42 | 60.6° | 180.0° |
| H36 | C19 | C21 | H40 | 59.4° | 180.0° |
| H36 | C19 | C21 | H41 | 60.6° | 60.0° |
| H36 | C19 | C21 | H42 | 179.4° | 60.0° |
| H37 | C20 | H38 | H39 | 120.0° | 120.0° |
| H40 | C21 | H41 | H42 | 120.0° | 119.9° |
| C22 | N9 | H43 | C17 | 180.0° | 179.9° |
| N9 | C22 | C23 | C24 | 126.8° | 119.8° |
| N9 | C22 | C23 | H44 | 117.9° | 119.7° |
| N9 | C22 | C24 | H44 | 119.0° | 120.4° |
| N9 | C22 | C23 | O6 | 179.3° | 33.3° |
| N9 | C22 | C24 | C25 | 51.5° | 176.9° |
| N9 | C22 | C24 | H45 | 172.1° | 56.9° |
| N9 | C22 | C24 | H46 | 69.1° | 63.1° |
| N9 | C22 | C23 | N10 | 2.1° | 146.6° |
| H43 | N9 | C22 | C23 | 82.3° | 50.7° |
| H43 | N9 | C22 | C24 | 41.9° | 170.5° |
| H43 | N9 | C22 | H44 | 160.2° | 69.0° |
| C23 | C22 | C24 | H44 | 115.8° | 120.4° |
| C22 | C23 | O6 | N10 | 177.0° | 179.9° |
| C23 | C22 | C24 | C25 | 73.7° | 63.9° |
| C23 | C22 | C24 | H45 | 46.8° | 176.1° |
| C23 | C22 | C24 | H46 | 165.7° | 56.1° |
| C22 | C23 | N10 | C26 | 175.7° | 179.9° |
| C22 | C23 | N10 | H48 | 4.3° | 0.0° |
| C23 | C22 | N9 | C17 | 97.6° | 129.3° |
| C24 | C22 | C23 | O6 | 52.5° | 153.1° |
| C22 | C24 | C25 | H45 | 120.6° | 120.0° |
| C22 | C24 | C25 | H46 | 120.6° | 120.0° |
| C22 | C24 | H45 | H46 | 118.2° | 120.0° |
| C22 | C24 | C25 | O7 | 169.9° | 11.9° |
| C22 | C24 | C25 | O8 | 7.1° | 168.1° |
| C24 | C22 | N9 | C17 | 138.1° | 9.5° |
| C24 | C22 | C23 | N10 | 124.7° | 26.8° |
| H44 | C22 | C23 | O6 | 62.9° | 86.4° |
| H44 | C22 | C24 | C25 | 170.5° | 56.5° |
| H44 | C22 | C24 | H45 | 69.0° | 63.5° |
| H44 | C22 | C24 | H46 | 49.9° | 176.5° |
| H44 | C22 | N9 | C17 | 19.9° | 111.0° |
| H44 | C22 | C23 | N10 | 120.0° | 93.7° |
| O6 | C23 | N10 | C26 | 7.3° | 0.2° |
| O6 | C23 | N10 | H48 | 172.7° | 179.9° |
| C25 | C24 | H45 | H46 | 118.3° | 120.0° |
| C24 | C25 | O7 | O8 | 176.9° | 180.0° |
| C24 | C25 | O8 | H47 | 176.8° | 179.9° |
| H45 | C24 | C25 | O7 | 49.3° | 108.1° |
| H45 | C24 | C25 | O8 | 127.6° | 71.9° |
| H46 | C24 | C25 | O7 | 69.6° | 131.9° |
| H46 | C24 | C25 | O8 | 113.5° | 48.1° |
| O7 | C25 | O8 | H47 | 0.0° | 0.1° |
| C26 | N10 | H48 | C23 | 180.0° | 179.9° |
| N10 | C26 | C27 | C28 | 123.4° | 119.8° |
| N10 | C26 | C27 | H49 | 116.7° | 119.8° |
| N10 | C26 | C28 | H49 | 119.3° | 120.3° |
| N10 | C26 | C27 | O9 | 91.3° | 29.9° |
| N10 | C26 | C28 | C29 | 169.4° | 65.0° |
| N10 | C26 | C28 | H50 | 48.9° | 55.0° |
| N10 | C26 | C28 | H51 | 70.1° | 175.0° |
| N10 | C26 | C27 | N12 | 84.9° | 150.0° |
| H48 | N10 | C26 | C27 | 27.2° | 48.1° |
| H48 | N10 | C26 | C28 | 98.0° | 71.8° |
| H48 | N10 | C26 | H49 | 143.3° | 167.9° |
| C27 | C26 | C28 | H49 | 120.0° | 120.3° |
| C26 | C27 | O9 | N12 | 175.9° | 179.9° |
| C27 | C26 | C28 | C29 | 69.9° | 175.6° |
| C27 | C26 | C28 | H50 | 169.6° | 64.4° |
| C27 | C26 | C28 | H51 | 50.6° | 55.6° |
| C26 | C27 | N12 | C30 | 172.0° | 179.9° |
| C26 | C27 | N12 | H54 | 8.0° | 0.1° |
| C27 | C26 | N10 | C23 | 152.8° | 132.0° |
| C28 | C26 | C27 | O9 | 32.1° | 89.9° |
| C26 | C28 | C29 | H50 | 120.5° | 120.0° |
| C26 | C28 | C29 | H51 | 120.5° | 120.0° |
| C26 | C28 | H50 | H51 | 118.4° | 119.9° |
| C26 | C28 | C29 | O10 | 2.0° | 0.0° |
| C26 | C28 | C29 | N11 | 176.6° | 180.0° |
| C28 | C26 | N10 | C23 | 82.0° | 108.1° |
| C28 | C26 | C27 | N12 | 151.7° | 90.2° |
| H49 | C26 | C27 | O9 | 152.0° | 149.7° |
| H49 | C26 | C28 | C29 | 50.1° | 55.3° |
| H49 | C26 | C28 | H50 | 70.4° | 175.3° |
| H49 | C26 | C28 | H51 | 170.6° | 64.7° |
| H49 | C26 | N10 | C23 | 36.7° | 12.2° |
| H49 | C26 | C27 | N12 | 31.8° | 30.2° |
| O9 | C27 | N12 | C30 | 4.1° | 0.1° |
| O9 | C27 | N12 | H54 | 175.9° | 180.0° |
| C29 | C28 | H50 | H51 | 118.5° | 120.0° |
| C28 | C29 | O10 | N11 | 178.5° | 179.9° |
| C28 | C29 | N11 | H52 | 178.6° | 0.1° |
| C28 | C29 | N11 | H53 | 1.4° | 180.0° |
| H50 | C28 | C29 | O10 | 118.5° | 120.0° |
| H50 | C28 | C29 | N11 | 62.9° | 60.0° |
| H51 | C28 | C29 | O10 | 122.5° | 120.0° |
| H51 | C28 | C29 | N11 | 56.1° | 60.0° |
| O10 | C29 | N11 | H52 | 0.0° | 180.0° |
| O10 | C29 | N11 | H53 | 180.0° | 0.1° |
| C29 | N11 | H52 | H53 | 180.0° | 180.0° |
| C30 | N12 | H54 | C27 | 180.0° | 179.9° |
| N12 | C30 | C31 | C32 | 126.4° | 119.7° |
| N12 | C30 | C31 | H55 | 116.9° | 119.8° |
| N12 | C30 | C32 | H55 | 117.9° | 120.5° |
| N12 | C30 | C31 | O11 | 144.7° | 32.8° |
| N12 | C30 | C32 | C33 | 75.8° | 59.6° |
| N12 | C30 | C32 | H56 | 44.9° | 179.5° |
| N12 | C30 | C32 | H57 | 163.5° | 60.5° |
| N12 | C30 | C31 | N13 | 33.6° | 147.3° |
| H54 | N12 | C30 | C31 | 119.0° | 51.8° |
| H54 | N12 | C30 | C32 | 7.0° | 171.5° |
| H54 | N12 | C30 | H55 | 124.5° | 68.0° |
| C31 | C30 | C32 | H55 | 116.7° | 120.4° |
| C30 | C31 | O11 | N13 | 178.1° | 179.9° |
| C31 | C30 | C32 | C33 | 158.8° | 59.6° |
| C31 | C30 | C32 | H56 | 80.5° | 60.4° |
| C31 | C30 | C32 | H57 | 38.1° | 179.6° |
| C30 | C31 | N13 | C36 | 171.9° | 179.9° |
| C30 | C31 | N13 | H65 | 8.1° | 0.0° |
| C31 | C30 | N12 | C27 | 61.0° | 128.3° |
| C32 | C30 | C31 | O11 | 88.9° | 152.5° |
| C30 | C32 | C33 | H56 | 120.7° | 119.9° |
| C30 | C32 | C33 | H57 | 120.7° | 120.0° |
| C30 | C32 | H56 | H57 | 117.8° | 120.0° |
| C30 | C32 | C33 | C34 | 177.0° | 79.8° |
| C30 | C32 | C33 | C35 | 53.9° | 160.2° |
| C30 | C32 | C33 | H58 | 66.1° | 40.2° |
| C32 | C30 | N12 | C27 | 173.0° | 8.7° |
| C32 | C30 | C31 | N13 | 92.8° | 27.6° |
| H55 | C30 | C31 | O11 | 27.9° | 87.0° |
| H55 | C30 | C32 | C33 | 42.1° | 180.0° |
| H55 | C30 | C32 | H56 | 162.8° | 60.0° |
| H55 | C30 | C32 | H57 | 78.6° | 60.0° |
| H55 | C30 | N12 | C27 | 55.5° | 111.9° |
| H55 | C30 | C31 | N13 | 150.4° | 92.9° |
| O11 | C31 | N13 | C36 | 6.3° | 0.0° |
| O11 | C31 | N13 | H65 | 173.7° | 180.0° |
| C33 | C32 | H56 | H57 | 117.8° | 120.1° |
| C32 | C33 | C34 | C35 | 125.5° | 120.0° |
| C32 | C33 | C34 | H58 | 116.7° | 120.0° |
| C32 | C33 | C35 | H58 | 119.9° | 120.0° |
| C32 | C33 | C34 | H59 | 180.0° | 168.1° |
| C32 | C33 | C34 | H60 | 60.0° | 71.9° |
| C32 | C33 | C34 | H61 | 60.0° | 48.1° |
| C32 | C33 | C35 | H62 | 180.0° | 54.1° |
| C32 | C33 | C35 | H63 | 60.0° | 174.1° |
| C32 | C33 | C35 | H64 | 60.0° | 65.8° |
| H56 | C32 | C33 | C34 | 62.3° | 40.1° |
| H56 | C32 | C33 | C35 | 174.7° | 79.9° |
| H56 | C32 | C33 | H58 | 54.7° | 160.1° |
| H57 | C32 | C33 | C34 | 56.2° | 160.2° |
| H57 | C32 | C33 | C35 | 66.8° | 40.2° |
| H57 | C32 | C33 | H58 | 173.2° | 79.8° |
| C34 | C33 | C35 | H58 | 117.9° | 120.1° |
| C33 | C34 | H59 | H60 | 120.0° | 120.0° |
| C33 | C34 | H59 | H61 | 120.0° | 120.0° |
| C33 | C34 | H60 | H61 | 120.0° | 120.0° |
| C34 | C33 | C35 | H62 | 57.8° | 174.1° |
| C34 | C33 | C35 | H63 | 62.2° | 65.9° |
| C34 | C33 | C35 | H64 | 177.8° | 54.2° |
| C35 | C33 | C34 | H59 | 54.5° | 48.1° |
| C35 | C33 | C34 | H60 | 174.5° | 168.1° |
| C35 | C33 | C34 | H61 | 65.5° | 71.9° |
| C33 | C35 | H62 | H63 | 120.0° | 120.0° |
| C33 | C35 | H62 | H64 | 120.0° | 120.0° |
| C33 | C35 | H63 | H64 | 120.0° | 120.0° |
| H58 | C33 | C34 | H59 | 63.2° | 72.0° |
| H58 | C33 | C34 | H60 | 56.8° | 48.1° |
| H58 | C33 | C34 | H61 | 176.7° | 168.1° |
| H58 | C33 | C35 | H62 | 60.1° | 65.9° |
| H58 | C33 | C35 | H63 | 179.9° | 54.2° |
| H58 | C33 | C35 | H64 | 59.9° | 174.2° |
| H59 | C34 | H60 | H61 | 120.0° | 120.0° |
| H62 | C35 | H63 | H64 | 120.0° | 120.0° |
| C36 | N13 | H65 | C31 | 180.0° | 179.9° |
| N13 | C36 | C37 | C38 | 123.2° | 119.7° |
| N13 | C36 | C37 | H66 | 119.8° | 119.9° |
| N13 | C36 | C38 | H66 | 118.1° | 120.4° |
| N13 | C36 | C37 | O12 | 135.6° | 32.0° |
| N13 | C36 | C38 | C39 | 90.8° | 65.0° |
| N13 | C36 | C38 | H67 | 29.7° | 54.9° |
| N13 | C36 | C38 | H68 | 148.7° | 175.0° |
| N13 | C36 | C37 | N1 | 43.4° | 147.8° |
| H65 | N13 | C36 | C37 | 129.7° | 48.3° |
| H65 | N13 | C36 | C38 | 6.8° | 71.4° |
| H65 | N13 | C36 | H66 | 110.9° | 168.2° |
| C37 | C36 | C38 | H66 | 117.1° | 120.3° |
| C36 | C37 | O12 | N1 | 178.9° | 179.8° |
| C37 | C36 | C38 | C39 | 144.4° | 175.6° |
| C37 | C36 | C38 | H67 | 95.1° | 64.4° |
| C37 | C36 | C38 | H68 | 23.9° | 55.6° |
| C37 | C36 | N13 | C31 | 50.3° | 131.8° |
| C38 | C36 | C37 | O12 | 101.3° | 87.7° |
| C36 | C38 | C39 | H67 | 120.5° | 120.0° |
| C36 | C38 | C39 | H68 | 120.5° | 120.0° |
| C36 | C38 | H67 | H68 | 118.6° | 120.0° |
| C36 | C38 | C39 | O13 | 5.3° | 0.0° |
| C36 | C38 | C39 | O14 | 174.9° | 180.0° |
| C38 | C36 | C37 | N1 | 79.7° | 92.5° |
| C38 | C36 | N13 | C31 | 173.2° | 108.6° |
| H66 | C36 | C37 | O12 | 15.7° | 151.9° |
| H66 | C36 | C38 | C39 | 27.3° | 55.3° |
| H66 | C36 | C38 | H67 | 147.8° | 175.3° |
| H66 | C36 | C38 | H68 | 93.1° | 64.7° |
| H66 | C36 | C37 | N1 | 163.3° | 27.8° |
| H66 | C36 | N13 | C31 | 69.1° | 11.8° |
| C39 | C38 | H67 | H68 | 118.6° | 120.0° |
| C38 | C39 | O13 | O14 | 179.8° | 180.0° |
| C38 | C39 | O14 | H69 | 179.8° | 180.0° |
| H67 | C38 | C39 | O13 | 125.7° | 120.0° |
| H67 | C38 | C39 | O14 | 54.5° | 60.0° |
| H68 | C38 | C39 | O13 | 115.2° | 120.0° |
| H68 | C38 | C39 | O14 | 64.6° | 60.0° |
| O13 | C39 | O14 | H69 | 0.0° | 0.0° |
