PRD_000821
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C1 | sing | 1.48Å | 1.45Å | |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| C1 | C2 | sing | 1.51Å | 1.52Å | |
| C1 | C3 | sing | 1.53Å | 1.52Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C2 | O1 | doub | 1.21Å | 1.25Å | |
| 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 | 1.45Å | |
| N2 | H6 | sing | 0.97Å | 1.00Å | |
| C4 | C5 | sing | 1.51Å | 1.56Å | |
| C4 | C6 | sing | 1.53Å | 1.59Å | |
| C4 | H7 | sing | 1.09Å | 1.10Å | |
| C5 | O3 | doub | 1.21Å | 1.25Å | |
| C6 | C7 | sing | 1.53Å | 1.57Å | |
| C6 | H8 | sing | 1.09Å | 1.10Å | |
| C6 | H9 | sing | 1.09Å | 1.10Å | |
| C7 | C8 | sing | 1.53Å | 1.52Å | |
| C7 | C9 | sing | 1.53Å | 1.55Å | |
| C7 | H10 | sing | 1.09Å | 1.10Å | |
| C8 | H11 | sing | 1.09Å | 1.10Å | |
| C8 | H12 | sing | 1.09Å | 1.10Å | |
| C8 | H13 | sing | 1.09Å | 1.10Å | |
| C9 | H14 | sing | 1.09Å | 1.10Å | |
| C9 | H15 | sing | 1.09Å | 1.10Å | |
| C9 | H16 | sing | 1.09Å | 1.10Å | |
| N3 | C10 | sing | 1.48Å | 1.46Å | |
| N3 | H17 | sing | 0.97Å | 1.00Å | |
| C10 | C11 | sing | 1.51Å | 1.53Å | |
| C10 | C12 | sing | 1.53Å | 1.50Å | |
| C10 | H18 | sing | 1.09Å | 1.10Å | |
| C11 | O4 | doub | 1.21Å | 1.24Å | |
| C12 | C13 | sing | 1.53Å | 1.54Å | |
| C12 | H19 | sing | 1.09Å | 1.10Å | |
| C12 | H20 | sing | 1.09Å | 1.10Å | |
| C13 | C14 | sing | 1.53Å | 1.50Å | |
| C13 | H21 | sing | 1.09Å | 1.10Å | |
| C13 | H22 | sing | 1.09Å | 1.10Å | |
| C14 | C15 | sing | 1.53Å | 1.57Å | |
| C14 | H23 | sing | 1.09Å | 1.10Å | |
| C14 | H24 | sing | 1.09Å | 1.10Å | |
| C15 | N4 | sing | 1.47Å | 1.47Å | |
| C15 | H25 | sing | 1.09Å | 1.10Å | |
| C15 | H26 | sing | 1.09Å | 1.10Å | |
| N4 | H27 | sing | 1.01Å | 1.00Å | |
| N4 | H28 | sing | 1.01Å | 1.00Å | |
| N4 | H29 | sing | 1.01Å | 1.00Å | |
| N5 | C16 | sing | 1.48Å | 1.45Å | |
| N5 | H30 | sing | 0.97Å | 1.00Å | |
| C16 | C17 | sing | 1.51Å | 1.52Å | |
| C16 | C18 | sing | 1.53Å | 1.57Å | |
| C16 | H31 | sing | 1.09Å | 1.10Å | |
| C17 | O5 | doub | 1.21Å | 1.27Å | |
| C18 | C19 | sing | 1.53Å | 1.57Å | |
| C18 | C20 | sing | 1.53Å | 1.55Å | |
| C18 | H32 | sing | 1.09Å | 1.10Å | |
| C19 | C21 | sing | 1.53Å | 1.61Å | |
| C19 | 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 | |
| C21 | H39 | sing | 1.09Å | 1.10Å | |
| C21 | H40 | sing | 1.09Å | 1.10Å | |
| N6 | C22 | sing | 1.48Å | 1.45Å | |
| N6 | H41 | sing | 0.97Å | 1.00Å | |
| C22 | C23 | sing | 1.51Å | 1.53Å | |
| C22 | C24 | sing | 1.53Å | 1.57Å | |
| C22 | H42 | sing | 1.09Å | 1.10Å | |
| C23 | O6 | doub | 1.21Å | 1.26Å | |
| C24 | C25 | sing | 1.51Å | 1.53Å | |
| C24 | H43 | sing | 1.09Å | 1.10Å | |
| C24 | H44 | sing | 1.09Å | 1.10Å | |
| C25 | O7 | doub | 1.21Å | 1.28Å | |
| C25 | O8 | sing | 1.34Å | 1.26Å | |
| O8 | H45 | sing | 0.97Å | 0.95Å | |
| N7 | C26 | sing | 1.48Å | 1.48Å | |
| N7 | H46 | sing | 0.97Å | 1.00Å | |
| C26 | C27 | sing | 1.51Å | 1.46Å | |
| C26 | C28 | sing | 1.53Å | 1.55Å | |
| C26 | H47 | sing | 1.09Å | 1.10Å | |
| C27 | O9 | doub | 1.21Å | 1.26Å | |
| C28 | C29 | sing | 1.51Å | 1.55Å | |
| C28 | H48 | sing | 1.09Å | 1.10Å | |
| C28 | H49 | sing | 1.09Å | 1.10Å | |
| C29 | O10 | doub | 1.21Å | 1.20Å | |
| C29 | N8 | sing | 1.35Å | 1.34Å | |
| N8 | H50 | sing | 0.97Å | 1.00Å | |
| N8 | H51 | sing | 0.97Å | 1.00Å | |
| N9 | C30 | sing | 1.48Å | 1.47Å | |
| N9 | H52 | sing | 0.97Å | 1.00Å | |
| C30 | C31 | sing | 1.51Å | 1.55Å | |
| C30 | C32 | sing | 1.53Å | 1.52Å | |
| C30 | H53 | sing | 1.09Å | 1.10Å | |
| C31 | O11 | doub | 1.21Å | 1.25Å | |
| C32 | C33 | sing | 1.53Å | 1.55Å | |
| C32 | H54 | sing | 1.09Å | 1.10Å | |
| C32 | H55 | sing | 1.09Å | 1.10Å | |
| C33 | S1 | sing | 1.81Å | 1.84Å | |
| C33 | H56 | sing | 1.09Å | 1.10Å | |
| C33 | H57 | sing | 1.09Å | 1.10Å | |
| S1 | C34 | sing | 1.81Å | 1.72Å | |
| C34 | H58 | sing | 1.09Å | 1.10Å | |
| C34 | H59 | sing | 1.09Å | 1.10Å | |
| C34 | H60 | sing | 1.09Å | 1.10Å | |
| N10 | C35 | sing | 1.48Å | 1.49Å | |
| N10 | H61 | sing | 0.97Å | 1.00Å | |
| C35 | C36 | sing | 1.51Å | 1.56Å | |
| C35 | C37 | sing | 1.53Å | 1.49Å | |
| C35 | H62 | sing | 1.09Å | 1.10Å | |
| C36 | O12 | doub | 1.21Å | 1.24Å | |
| C37 | C38 | sing | 1.51Å | 1.55Å | |
| C37 | H63 | sing | 1.09Å | 1.10Å | |
| C37 | H64 | sing | 1.09Å | 1.10Å | |
| C38 | O13 | doub | 1.21Å | 1.26Å | |
| C38 | O14 | sing | 1.34Å | 1.25Å | |
| O14 | H65 | sing | 0.97Å | 0.95Å | |
| N1 | C36 | sing | 1.37Å | 1.34Å | |
| C2 | N2 | sing | 1.36Å | 1.34Å | |
| C5 | N3 | sing | 1.37Å | 1.34Å | |
| C11 | N5 | sing | 1.36Å | 1.34Å | |
| C17 | N6 | sing | 1.37Å | 1.33Å | |
| C23 | N7 | sing | 1.36Å | 1.34Å | |
| C27 | N9 | sing | 1.37Å | 1.33Å | |
| C31 | N10 | sing | 1.36Å | 1.34Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | N1 | H1 | 119.0° | 122.3° |
| N1 | C1 | C2 | 112.6° | 108.6° |
| N1 | C1 | C3 | 109.8° | 109.6° |
| N1 | C1 | H2 | 109.6° | 109.6° |
| C1 | N1 | C36 | 121.9° | 115.4° |
| H1 | N1 | C36 | 119.0° | 122.3° |
| C2 | C1 | C3 | 107.2° | 109.6° |
| C2 | C1 | H2 | 108.7° | 109.7° |
| C1 | C2 | O1 | 118.4° | 120.5° |
| C1 | C2 | N2 | 116.0° | 119.1° |
| C3 | C1 | H2 | 108.8° | 109.7° |
| C1 | C3 | O2 | 109.2° | 109.5° |
| C1 | C3 | H3 | 109.5° | 109.5° |
| C1 | C3 | H4 | 109.6° | 109.5° |
| O1 | C2 | N2 | 125.5° | 120.4° |
| O2 | C3 | H3 | 109.5° | 109.4° |
| O2 | C3 | H4 | 109.5° | 109.5° |
| C3 | O2 | H5 | 109.5° | 114.0° |
| H3 | C3 | H4 | 109.5° | 109.5° |
| C4 | N2 | H6 | 116.0° | 121.7° |
| N2 | C4 | C5 | 111.9° | 108.9° |
| N2 | C4 | C6 | 113.8° | 109.5° |
| N2 | C4 | H7 | 107.7° | 109.6° |
| C4 | N2 | C2 | 127.9° | 116.6° |
| H6 | N2 | C2 | 116.1° | 121.7° |
| C5 | C4 | C6 | 110.5° | 109.6° |
| C5 | C4 | H7 | 106.4° | 109.6° |
| C4 | C5 | O3 | 119.4° | 120.6° |
| C4 | C5 | N3 | 116.7° | 118.8° |
| C6 | C4 | H7 | 106.1° | 109.7° |
| C4 | C6 | C7 | 116.7° | 109.5° |
| C4 | C6 | H8 | 107.6° | 109.5° |
| C4 | C6 | H9 | 107.6° | 109.5° |
| O3 | C5 | N3 | 123.9° | 120.7° |
| C7 | C6 | H8 | 107.6° | 109.5° |
| C7 | C6 | H9 | 107.6° | 109.4° |
| C6 | C7 | C8 | 110.5° | 109.5° |
| C6 | C7 | C9 | 113.5° | 109.5° |
| C6 | C7 | H10 | 107.9° | 109.4° |
| H8 | C6 | H9 | 109.5° | 109.4° |
| C8 | C7 | C9 | 108.3° | 109.5° |
| C8 | C7 | H10 | 108.4° | 109.5° |
| C7 | C8 | H11 | 109.5° | 109.5° |
| C7 | C8 | H12 | 109.5° | 109.5° |
| C7 | C8 | H13 | 109.5° | 109.5° |
| C9 | C7 | H10 | 108.1° | 109.5° |
| C7 | C9 | H14 | 109.5° | 109.5° |
| C7 | C9 | H15 | 109.5° | 109.4° |
| C7 | C9 | H16 | 109.5° | 109.5° |
| H11 | C8 | H12 | 109.5° | 109.4° |
| H11 | C8 | H13 | 109.4° | 109.5° |
| H12 | C8 | H13 | 109.5° | 109.5° |
| H14 | C9 | H15 | 109.5° | 109.4° |
| H14 | C9 | H16 | 109.4° | 109.5° |
| H15 | C9 | H16 | 109.5° | 109.5° |
| C10 | N3 | H17 | 118.0° | 122.3° |
| N3 | C10 | C11 | 105.8° | 108.7° |
| N3 | C10 | C12 | 110.4° | 109.6° |
| N3 | C10 | H18 | 111.3° | 109.6° |
| C10 | N3 | C5 | 123.9° | 115.4° |
| H17 | N3 | C5 | 118.1° | 122.3° |
| C11 | C10 | C12 | 108.1° | 109.6° |
| C11 | C10 | H18 | 110.4° | 109.6° |
| C10 | C11 | O4 | 119.9° | 120.5° |
| C10 | C11 | N5 | 116.7° | 119.1° |
| C12 | C10 | H18 | 110.7° | 109.7° |
| C10 | C12 | C13 | 110.9° | 109.5° |
| C10 | C12 | H19 | 109.1° | 109.5° |
| C10 | C12 | H20 | 109.1° | 109.5° |
| O4 | C11 | N5 | 123.4° | 120.4° |
| C13 | C12 | H19 | 109.1° | 109.5° |
| C13 | C12 | H20 | 109.1° | 109.4° |
| C12 | C13 | C14 | 111.8° | 109.5° |
| C12 | C13 | H21 | 108.9° | 109.4° |
| C12 | C13 | H22 | 108.9° | 109.5° |
| H19 | C12 | H20 | 109.5° | 109.5° |
| C14 | C13 | H21 | 108.9° | 109.5° |
| C14 | C13 | H22 | 108.9° | 109.5° |
| C13 | C14 | C15 | 108.1° | 109.4° |
| C13 | C14 | H23 | 109.8° | 109.4° |
| C13 | C14 | H24 | 109.8° | 109.5° |
| H21 | C13 | H22 | 109.5° | 109.5° |
| C15 | C14 | H23 | 109.8° | 109.5° |
| C15 | C14 | H24 | 109.8° | 109.5° |
| C14 | C15 | N4 | 105.1° | 109.4° |
| C14 | C15 | H25 | 110.6° | 109.4° |
| C14 | C15 | H26 | 110.6° | 109.5° |
| H23 | C14 | H24 | 109.5° | 109.5° |
| N4 | C15 | H25 | 110.5° | 109.5° |
| N4 | C15 | H26 | 110.5° | 109.5° |
| C15 | N4 | H27 | 109.5° | 109.4° |
| C15 | N4 | H28 | 109.5° | 109.4° |
| C15 | N4 | H29 | 109.5° | 109.5° |
| H25 | C15 | H26 | 109.5° | 109.5° |
| H27 | N4 | H28 | 109.5° | 109.5° |
| H27 | N4 | H29 | 109.5° | 109.5° |
| H28 | N4 | H29 | 109.4° | 109.5° |
| C16 | N5 | H30 | 120.4° | 121.8° |
| N5 | C16 | C17 | 111.5° | 108.9° |
| N5 | C16 | C18 | 108.5° | 109.6° |
| N5 | C16 | H31 | 109.3° | 109.6° |
| C16 | N5 | C11 | 119.1° | 116.6° |
| H30 | N5 | C11 | 120.5° | 121.7° |
| C17 | C16 | C18 | 111.1° | 109.5° |
| C17 | C16 | H31 | 108.5° | 109.6° |
| C16 | C17 | O5 | 120.1° | 120.6° |
| C16 | C17 | N6 | 115.2° | 118.8° |
| C18 | C16 | H31 | 107.9° | 109.6° |
| C16 | C18 | C19 | 110.3° | 109.5° |
| C16 | C18 | C20 | 111.5° | 109.5° |
| C16 | C18 | H32 | 108.7° | 109.4° |
| O5 | C17 | N6 | 124.3° | 120.7° |
| C19 | C18 | C20 | 108.8° | 109.5° |
| C19 | C18 | H32 | 108.6° | 109.5° |
| C18 | C19 | C21 | 115.3° | 109.5° |
| C18 | C19 | H33 | 108.0° | 109.5° |
| C18 | C19 | H34 | 108.0° | 109.5° |
| C20 | C18 | H32 | 108.9° | 109.5° |
| C18 | C20 | H35 | 109.5° | 109.5° |
| C18 | C20 | H36 | 109.5° | 109.5° |
| C18 | C20 | H37 | 109.5° | 109.5° |
| C21 | C19 | H33 | 108.0° | 109.5° |
| C21 | C19 | H34 | 108.0° | 109.4° |
| C19 | C21 | H38 | 109.5° | 109.5° |
| C19 | C21 | H39 | 109.5° | 109.5° |
| C19 | C21 | H40 | 109.5° | 109.5° |
| H33 | C19 | H34 | 109.5° | 109.5° |
| H35 | C20 | H36 | 109.4° | 109.5° |
| H35 | C20 | H37 | 109.5° | 109.4° |
| H36 | C20 | H37 | 109.5° | 109.5° |
| H38 | C21 | H39 | 109.5° | 109.4° |
| H38 | C21 | H40 | 109.4° | 109.5° |
| H39 | C21 | H40 | 109.5° | 109.5° |
| C22 | N6 | H41 | 119.0° | 122.3° |
| N6 | C22 | C23 | 113.8° | 108.6° |
| N6 | C22 | C24 | 112.5° | 109.7° |
| N6 | C22 | H42 | 107.9° | 109.6° |
| C22 | N6 | C17 | 122.1° | 115.4° |
| H41 | N6 | C17 | 118.9° | 122.3° |
| C23 | C22 | C24 | 109.0° | 109.6° |
| C23 | C22 | H42 | 106.8° | 109.6° |
| C22 | C23 | O6 | 117.0° | 120.5° |
| C22 | C23 | N7 | 118.5° | 119.0° |
| C24 | C22 | H42 | 106.4° | 109.8° |
| C22 | C24 | C25 | 113.2° | 109.5° |
| C22 | C24 | H43 | 108.5° | 109.5° |
| C22 | C24 | H44 | 108.5° | 109.5° |
| O6 | C23 | N7 | 124.0° | 120.5° |
| C25 | C24 | H43 | 108.5° | 109.4° |
| C25 | C24 | H44 | 108.6° | 109.5° |
| C24 | C25 | O7 | 119.1° | 120.0° |
| C24 | C25 | O8 | 120.0° | 120.0° |
| H43 | C24 | H44 | 109.5° | 109.4° |
| O7 | C25 | O8 | 120.8° | 120.0° |
| C25 | O8 | H45 | 109.5° | 117.0° |
| C26 | N7 | H46 | 119.0° | 121.7° |
| N7 | C26 | C27 | 110.2° | 108.9° |
| N7 | C26 | C28 | 110.0° | 109.5° |
| N7 | C26 | H47 | 109.3° | 109.6° |
| C26 | N7 | C23 | 122.0° | 116.6° |
| H46 | N7 | C23 | 119.0° | 121.7° |
| C27 | C26 | C28 | 109.4° | 109.6° |
| C27 | C26 | H47 | 109.6° | 109.6° |
| C26 | C27 | O9 | 118.1° | 120.6° |
| C26 | C27 | N9 | 116.4° | 118.7° |
| C28 | C26 | H47 | 108.4° | 109.7° |
| C26 | C28 | C29 | 111.7° | 109.5° |
| C26 | C28 | H48 | 108.9° | 109.5° |
| C26 | C28 | H49 | 108.9° | 109.5° |
| O9 | C27 | N9 | 125.2° | 120.6° |
| C29 | C28 | H48 | 108.9° | 109.4° |
| C29 | C28 | H49 | 108.9° | 109.4° |
| C28 | C29 | O10 | 119.9° | 120.0° |
| C28 | C29 | N8 | 117.2° | 120.0° |
| H48 | C28 | H49 | 109.5° | 109.5° |
| O10 | C29 | N8 | 122.8° | 120.0° |
| C29 | N8 | H50 | 120.0° | 120.0° |
| C29 | N8 | H51 | 120.0° | 120.0° |
| H50 | N8 | H51 | 120.0° | 120.0° |
| C30 | N9 | H52 | 120.6° | 122.3° |
| N9 | C30 | C31 | 111.5° | 108.6° |
| N9 | C30 | C32 | 111.9° | 109.6° |
| N9 | C30 | H53 | 107.7° | 109.7° |
| C30 | N9 | C27 | 118.8° | 115.4° |
| H52 | N9 | C27 | 120.6° | 122.3° |
| C31 | C30 | C32 | 111.6° | 109.6° |
| C31 | C30 | H53 | 106.7° | 109.6° |
| C30 | C31 | O11 | 118.9° | 120.4° |
| C30 | C31 | N10 | 117.7° | 119.1° |
| C32 | C30 | H53 | 107.1° | 109.7° |
| C30 | C32 | C33 | 111.0° | 109.5° |
| C30 | C32 | H54 | 109.1° | 109.5° |
| C30 | C32 | H55 | 109.1° | 109.5° |
| O11 | C31 | N10 | 123.4° | 120.5° |
| C33 | C32 | H54 | 109.1° | 109.5° |
| C33 | C32 | H55 | 109.1° | 109.5° |
| C32 | C33 | S1 | 114.4° | 109.5° |
| C32 | C33 | H56 | 108.2° | 109.5° |
| C32 | C33 | H57 | 108.2° | 109.5° |
| H54 | C32 | H55 | 109.5° | 109.5° |
| S1 | C33 | H56 | 108.2° | 109.5° |
| S1 | C33 | H57 | 108.3° | 109.5° |
| C33 | S1 | C34 | 95.5° | 103.0° |
| H56 | C33 | H57 | 109.5° | 109.4° |
| S1 | C34 | H58 | 109.5° | 109.5° |
| S1 | C34 | H59 | 109.5° | 109.5° |
| S1 | C34 | H60 | 109.5° | 109.4° |
| H58 | C34 | H59 | 109.5° | 109.5° |
| H58 | C34 | H60 | 109.5° | 109.5° |
| H59 | C34 | H60 | 109.5° | 109.5° |
| C35 | N10 | H61 | 121.2° | 121.7° |
| N10 | C35 | C36 | 108.0° | 109.0° |
| N10 | C35 | C37 | 110.8° | 109.6° |
| N10 | C35 | H62 | 111.2° | 109.6° |
| C35 | N10 | C31 | 117.7° | 116.6° |
| H61 | N10 | C31 | 121.2° | 121.8° |
| C36 | C35 | C37 | 105.2° | 109.3° |
| C36 | C35 | H62 | 110.2° | 109.7° |
| C35 | C36 | O12 | 119.2° | 120.6° |
| C35 | C36 | N1 | 118.5° | 118.8° |
| C37 | C35 | H62 | 111.1° | 109.7° |
| C35 | C37 | C38 | 112.8° | 109.4° |
| C35 | C37 | H63 | 108.6° | 109.5° |
| C35 | C37 | H64 | 108.6° | 109.5° |
| O12 | C36 | N1 | 122.3° | 120.6° |
| C38 | C37 | H63 | 108.6° | 109.5° |
| C38 | C37 | H64 | 108.6° | 109.5° |
| C37 | C38 | O13 | 117.4° | 120.0° |
| C37 | C38 | O14 | 117.0° | 120.0° |
| H63 | C37 | H64 | 109.5° | 109.5° |
| O13 | C38 | O14 | 125.6° | 120.1° |
| C38 | O14 | H65 | 109.5° | 117.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | N1 | H1 | C36 | 180.0° | 179.8° |
| N1 | C1 | C2 | C3 | 120.9° | 119.7° |
| N1 | C1 | C2 | H2 | 121.7° | 119.8° |
| N1 | C1 | C3 | H2 | 120.0° | 120.4° |
| N1 | C1 | C2 | O1 | 162.1° | 32.8° |
| N1 | C1 | C3 | O2 | 61.9° | 175.9° |
| N1 | C1 | C3 | H3 | 58.0° | 64.1° |
| N1 | C1 | C3 | H4 | 178.1° | 55.9° |
| C1 | N1 | C36 | C35 | 175.4° | 179.8° |
| C1 | N1 | C36 | O12 | 6.4° | 0.1° |
| N1 | C1 | C2 | N2 | 20.7° | 147.3° |
| H1 | N1 | C1 | C2 | 70.0° | 49.4° |
| H1 | N1 | C1 | C3 | 49.4° | 169.1° |
| H1 | N1 | C1 | H2 | 168.8° | 70.5° |
| H1 | N1 | C36 | C35 | 4.6° | 0.4° |
| H1 | N1 | C36 | O12 | 173.6° | 179.9° |
| C2 | C1 | C3 | H2 | 117.4° | 120.5° |
| C1 | C2 | O1 | N2 | 176.9° | 179.9° |
| C2 | C1 | C3 | O2 | 175.4° | 56.8° |
| C2 | C1 | C3 | H3 | 64.6° | 176.7° |
| C2 | C1 | C3 | H4 | 55.5° | 63.3° |
| C1 | C2 | N2 | C4 | 179.9° | 179.9° |
| C1 | C2 | N2 | H6 | 0.1° | 0.1° |
| C2 | C1 | N1 | C36 | 110.0° | 130.9° |
| C3 | C1 | C2 | O1 | 41.2° | 152.5° |
| C1 | C3 | O2 | H3 | 119.9° | 120.0° |
| C1 | C3 | O2 | H4 | 120.0° | 120.0° |
| C1 | C3 | H3 | H4 | 120.2° | 120.0° |
| C1 | C3 | O2 | H5 | 180.0° | 180.0° |
| C3 | C1 | N1 | C36 | 130.6° | 11.1° |
| C3 | C1 | C2 | N2 | 141.6° | 27.6° |
| H2 | C1 | C2 | O1 | 76.2° | 86.9° |
| H2 | C1 | C3 | O2 | 58.1° | 63.7° |
| H2 | C1 | C3 | H3 | 178.0° | 56.2° |
| H2 | C1 | C3 | H4 | 61.9° | 176.2° |
| H2 | C1 | N1 | C36 | 11.2° | 109.3° |
| H2 | C1 | C2 | N2 | 101.0° | 92.9° |
| O1 | C2 | N2 | C4 | 2.9° | 0.0° |
| O1 | C2 | N2 | H6 | 177.1° | 180.0° |
| O2 | C3 | H3 | H4 | 120.1° | 120.0° |
| H3 | C3 | O2 | H5 | 60.0° | 60.0° |
| H4 | C3 | O2 | H5 | 60.0° | 60.0° |
| C4 | N2 | H6 | C2 | 180.0° | 180.0° |
| N2 | C4 | C5 | C6 | 127.9° | 119.8° |
| N2 | C4 | C5 | H7 | 117.4° | 119.8° |
| N2 | C4 | C6 | H7 | 118.2° | 120.3° |
| N2 | C4 | C5 | O3 | 139.1° | 30.8° |
| N2 | C4 | C6 | C7 | 64.4° | 64.3° |
| N2 | C4 | C6 | H8 | 56.6° | 55.8° |
| N2 | C4 | C6 | H9 | 174.5° | 175.7° |
| N2 | C4 | C5 | N3 | 40.9° | 149.2° |
| H6 | N2 | C4 | C5 | 127.6° | 48.7° |
| H6 | N2 | C4 | C6 | 106.3° | 71.1° |
| H6 | N2 | C4 | H7 | 10.9° | 168.6° |
| C5 | C4 | C6 | H7 | 115.0° | 120.3° |
| C4 | C5 | O3 | N3 | 179.9° | 179.9° |
| C5 | C4 | C6 | C7 | 168.7° | 176.3° |
| C5 | C4 | C6 | H8 | 70.2° | 63.6° |
| C5 | C4 | C6 | H9 | 47.7° | 56.4° |
| C4 | C5 | N3 | C10 | 174.0° | 180.0° |
| C4 | C5 | N3 | H17 | 6.0° | 0.1° |
| C5 | C4 | N2 | C2 | 52.4° | 131.2° |
| C6 | C4 | C5 | O3 | 11.3° | 89.0° |
| C4 | C6 | C7 | H8 | 121.1° | 120.1° |
| C4 | C6 | C7 | H9 | 121.0° | 120.0° |
| C4 | C6 | H8 | H9 | 116.7° | 120.0° |
| C4 | C6 | C7 | C8 | 176.6° | 173.3° |
| C4 | C6 | C7 | C9 | 61.5° | 66.7° |
| C4 | C6 | C7 | H10 | 58.3° | 53.3° |
| C6 | C4 | N2 | C2 | 73.7° | 108.9° |
| C6 | C4 | C5 | N3 | 168.8° | 91.1° |
| H7 | C4 | C5 | O3 | 103.4° | 150.6° |
| H7 | C4 | C6 | C7 | 53.8° | 56.0° |
| H7 | C4 | C6 | H8 | 174.8° | 176.0° |
| H7 | C4 | C6 | H9 | 67.3° | 64.0° |
| H7 | C4 | N2 | C2 | 169.1° | 11.4° |
| H7 | C4 | C5 | N3 | 76.5° | 29.3° |
| O3 | C5 | N3 | C10 | 5.9° | 0.1° |
| O3 | C5 | N3 | H17 | 174.1° | 179.9° |
| C7 | C6 | H8 | H9 | 116.7° | 119.9° |
| C6 | C7 | C8 | C9 | 124.9° | 120.0° |
| C6 | C7 | C8 | H10 | 118.0° | 119.9° |
| C6 | C7 | C9 | H10 | 119.6° | 119.9° |
| C6 | C7 | C8 | H11 | 180.0° | 175.1° |
| C6 | C7 | C8 | H12 | 60.0° | 65.0° |
| C6 | C7 | C8 | H13 | 60.0° | 55.1° |
| C6 | C7 | C9 | H14 | 180.0° | 60.0° |
| C6 | C7 | C9 | H15 | 60.0° | 180.0° |
| C6 | C7 | C9 | H16 | 60.0° | 60.0° |
| H8 | C6 | C7 | C8 | 55.5° | 53.2° |
| H8 | C6 | C7 | C9 | 177.5° | 173.2° |
| H8 | C6 | C7 | H10 | 62.8° | 66.8° |
| H9 | C6 | C7 | C8 | 62.4° | 66.7° |
| H9 | C6 | C7 | C9 | 59.6° | 53.3° |
| H9 | C6 | C7 | H10 | 179.3° | 173.3° |
| C8 | C7 | C9 | H10 | 117.2° | 120.1° |
| C7 | C8 | H11 | H12 | 120.0° | 120.0° |
| C7 | C8 | H11 | H13 | 120.0° | 120.0° |
| C7 | C8 | H12 | H13 | 120.0° | 120.0° |
| C8 | C7 | C9 | H14 | 56.9° | 180.0° |
| C8 | C7 | C9 | H15 | 63.1° | 60.0° |
| C8 | C7 | C9 | H16 | 176.9° | 60.0° |
| C9 | C7 | C8 | H11 | 55.1° | 55.1° |
| C9 | C7 | C8 | H12 | 175.1° | 175.0° |
| C9 | C7 | C8 | H13 | 64.9° | 64.9° |
| C7 | C9 | H14 | H15 | 120.0° | 119.9° |
| C7 | C9 | H14 | H16 | 120.0° | 120.0° |
| C7 | C9 | H15 | H16 | 120.0° | 120.0° |
| H10 | C7 | C8 | H11 | 62.0° | 65.0° |
| H10 | C7 | C8 | H12 | 58.0° | 55.0° |
| H10 | C7 | C8 | H13 | 178.1° | 175.0° |
| H10 | C7 | C9 | H14 | 60.3° | 59.9° |
| H10 | C7 | C9 | H15 | 179.6° | 60.0° |
| H10 | C7 | C9 | H16 | 59.6° | 179.9° |
| H11 | C8 | H12 | H13 | 120.0° | 120.0° |
| H14 | C9 | H15 | H16 | 120.0° | 120.0° |
| C10 | N3 | H17 | C5 | 180.0° | 180.0° |
| N3 | C10 | C11 | C12 | 118.3° | 119.7° |
| N3 | C10 | C11 | H18 | 120.5° | 119.7° |
| N3 | C10 | C12 | H18 | 123.7° | 120.4° |
| N3 | C10 | C11 | O4 | 26.4° | 33.4° |
| N3 | C10 | C12 | C13 | 57.5° | 63.7° |
| N3 | C10 | C12 | H19 | 62.7° | 176.3° |
| N3 | C10 | C12 | H20 | 177.7° | 56.2° |
| N3 | C10 | C11 | N5 | 154.6° | 146.7° |
| H17 | N3 | C10 | C11 | 64.0° | 50.9° |
| H17 | N3 | C10 | C12 | 52.7° | 170.6° |
| H17 | N3 | C10 | H18 | 176.1° | 68.9° |
| C11 | C10 | C12 | H18 | 121.0° | 120.5° |
| C10 | C11 | O4 | N5 | 178.9° | 179.9° |
| C11 | C10 | C12 | C13 | 172.8° | 55.4° |
| C11 | C10 | C12 | H19 | 52.6° | 64.6° |
| C11 | C10 | C12 | H20 | 67.0° | 175.4° |
| C10 | C11 | N5 | C16 | 175.9° | 179.9° |
| C10 | C11 | N5 | H30 | 4.1° | 0.2° |
| C11 | C10 | N3 | C5 | 116.0° | 129.0° |
| C12 | C10 | C11 | O4 | 91.9° | 153.2° |
| C10 | C12 | C13 | H19 | 120.2° | 120.0° |
| C10 | C12 | C13 | H20 | 120.2° | 120.0° |
| C10 | C12 | H19 | H20 | 119.4° | 120.0° |
| C10 | C12 | C13 | C14 | 65.2° | 174.1° |
| C10 | C12 | C13 | H21 | 55.2° | 54.1° |
| C10 | C12 | C13 | H22 | 174.5° | 65.9° |
| C12 | C10 | N3 | C5 | 127.3° | 9.3° |
| C12 | C10 | C11 | N5 | 87.1° | 26.9° |
| H18 | C10 | C11 | O4 | 146.9° | 86.3° |
| H18 | C10 | C12 | C13 | 66.2° | 175.9° |
| H18 | C10 | C12 | H19 | 173.6° | 55.9° |
| H18 | C10 | C12 | H20 | 54.0° | 64.1° |
| H18 | C10 | N3 | C5 | 3.9° | 111.2° |
| H18 | C10 | C11 | N5 | 34.1° | 93.6° |
| O4 | C11 | N5 | C16 | 5.2° | 0.0° |
| O4 | C11 | N5 | H30 | 174.8° | 179.9° |
| C13 | C12 | H19 | H20 | 119.3° | 120.0° |
| C12 | C13 | C14 | H21 | 120.3° | 120.0° |
| C12 | C13 | C14 | H22 | 120.4° | 120.0° |
| C12 | C13 | H21 | H22 | 118.9° | 120.0° |
| C12 | C13 | C14 | C15 | 173.4° | 180.0° |
| C12 | C13 | C14 | H23 | 53.6° | 60.1° |
| C12 | C13 | C14 | H24 | 66.8° | 60.0° |
| H19 | C12 | C13 | C14 | 174.6° | 65.9° |
| H19 | C12 | C13 | H21 | 65.0° | 174.1° |
| H19 | C12 | C13 | H22 | 54.3° | 54.1° |
| H20 | C12 | C13 | C14 | 55.0° | 54.1° |
| H20 | C12 | C13 | H21 | 175.4° | 65.9° |
| H20 | C12 | C13 | H22 | 65.3° | 174.1° |
| C14 | C13 | H21 | H22 | 118.9° | 120.0° |
| C13 | C14 | C15 | H23 | 119.8° | 119.9° |
| C13 | C14 | C15 | H24 | 119.8° | 120.0° |
| C13 | C14 | H23 | H24 | 120.6° | 120.0° |
| C13 | C14 | C15 | N4 | 165.1° | 180.0° |
| C13 | C14 | C15 | H25 | 45.8° | 60.0° |
| C13 | C14 | C15 | H26 | 75.6° | 60.0° |
| H21 | C13 | C14 | C15 | 66.3° | 60.0° |
| H21 | C13 | C14 | H23 | 173.9° | 180.0° |
| H21 | C13 | C14 | H24 | 53.5° | 60.0° |
| H22 | C13 | C14 | C15 | 53.0° | 60.0° |
| H22 | C13 | C14 | H23 | 66.8° | 60.0° |
| H22 | C13 | C14 | H24 | 172.8° | 180.0° |
| C15 | C14 | H23 | H24 | 120.6° | 120.0° |
| C14 | C15 | N4 | H25 | 119.3° | 119.9° |
| C14 | C15 | N4 | H26 | 119.3° | 120.0° |
| C14 | C15 | H25 | H26 | 122.0° | 120.0° |
| C14 | C15 | N4 | H27 | 180.0° | 180.0° |
| C14 | C15 | N4 | H28 | 60.0° | 60.0° |
| C14 | C15 | N4 | H29 | 60.0° | 60.0° |
| H23 | C14 | C15 | N4 | 75.1° | 60.1° |
| H23 | C14 | C15 | H25 | 165.6° | 180.0° |
| H23 | C14 | C15 | H26 | 44.2° | 59.9° |
| H24 | C14 | C15 | N4 | 45.3° | 60.0° |
| H24 | C14 | C15 | H25 | 74.0° | 60.0° |
| H24 | C14 | C15 | H26 | 164.6° | 180.0° |
| N4 | C15 | H25 | H26 | 122.0° | 120.1° |
| C15 | N4 | H27 | H28 | 120.0° | 119.9° |
| C15 | N4 | H27 | H29 | 120.0° | 120.0° |
| C15 | N4 | H28 | H29 | 120.0° | 120.0° |
| H25 | C15 | N4 | H27 | 60.7° | 60.1° |
| H25 | C15 | N4 | H28 | 179.3° | 180.0° |
| H25 | C15 | N4 | H29 | 59.3° | 59.9° |
| H26 | C15 | N4 | H27 | 60.7° | 60.0° |
| H26 | C15 | N4 | H28 | 59.3° | 59.9° |
| H26 | C15 | N4 | H29 | 179.3° | 180.0° |
| H27 | N4 | H28 | H29 | 120.0° | 120.1° |
| C16 | N5 | H30 | C11 | 180.0° | 179.9° |
| N5 | C16 | C17 | C18 | 121.1° | 119.8° |
| N5 | C16 | C17 | H31 | 120.4° | 119.9° |
| N5 | C16 | C18 | H31 | 118.3° | 120.4° |
| N5 | C16 | C17 | O5 | 156.4° | 30.7° |
| N5 | C16 | C18 | C19 | 62.4° | 175.0° |
| N5 | C16 | C18 | C20 | 176.6° | 65.0° |
| N5 | C16 | C18 | H32 | 56.5° | 55.0° |
| N5 | C16 | C17 | N6 | 31.1° | 149.2° |
| H30 | N5 | C16 | C17 | 116.3° | 47.8° |
| H30 | N5 | C16 | C18 | 6.3° | 72.0° |
| H30 | N5 | C16 | H31 | 123.8° | 167.7° |
| C17 | C16 | C18 | H31 | 118.8° | 120.3° |
| C16 | C17 | O5 | N6 | 171.7° | 179.9° |
| C17 | C16 | C18 | C19 | 174.7° | 65.6° |
| C17 | C16 | C18 | C20 | 53.7° | 54.4° |
| C17 | C16 | C18 | H32 | 66.4° | 174.4° |
| C16 | C17 | N6 | C22 | 176.8° | 179.9° |
| C16 | C17 | N6 | H41 | 3.2° | 0.0° |
| C17 | C16 | N5 | C11 | 63.7° | 132.1° |
| C18 | C16 | C17 | O5 | 82.4° | 89.1° |
| C16 | C18 | C19 | C20 | 122.6° | 120.0° |
| C16 | C18 | C19 | H32 | 119.0° | 120.0° |
| C16 | C18 | C20 | H32 | 119.9° | 120.0° |
| C16 | C18 | C19 | C21 | 65.8° | 175.0° |
| C16 | C18 | C19 | H33 | 55.0° | 65.0° |
| C16 | C18 | C19 | H34 | 173.3° | 55.0° |
| C16 | C18 | C20 | H35 | 180.0° | 60.0° |
| C16 | C18 | C20 | H36 | 60.0° | 60.0° |
| C16 | C18 | C20 | H37 | 60.0° | 180.0° |
| C18 | C16 | N5 | C11 | 173.7° | 108.1° |
| C18 | C16 | C17 | N6 | 90.0° | 91.0° |
| H31 | C16 | C17 | O5 | 36.0° | 150.6° |
| H31 | C16 | C18 | C19 | 55.9° | 54.7° |
| H31 | C16 | C18 | C20 | 65.1° | 174.7° |
| H31 | C16 | C18 | H32 | 174.9° | 65.4° |
| H31 | C16 | N5 | C11 | 56.2° | 12.2° |
| H31 | C16 | C17 | N6 | 151.6° | 29.3° |
| O5 | C17 | N6 | C22 | 11.1° | 0.2° |
| O5 | C17 | N6 | H41 | 168.9° | 179.9° |
| C19 | C18 | C20 | H32 | 118.2° | 120.0° |
| C18 | C19 | C21 | H33 | 120.9° | 120.0° |
| C18 | C19 | C21 | H34 | 120.9° | 120.0° |
| C18 | C19 | H33 | H34 | 117.4° | 120.0° |
| C19 | C18 | C20 | H35 | 58.1° | 180.0° |
| C19 | C18 | C20 | H36 | 178.1° | 60.0° |
| C19 | C18 | C20 | H37 | 61.9° | 60.0° |
| C18 | C19 | C21 | H38 | 180.0° | 180.0° |
| C18 | C19 | C21 | H39 | 60.0° | 60.0° |
| C18 | C19 | C21 | H40 | 60.0° | 60.0° |
| C20 | C18 | C19 | C21 | 56.8° | 65.0° |
| C20 | C18 | C19 | H33 | 177.7° | 55.0° |
| C20 | C18 | C19 | H34 | 64.0° | 175.0° |
| C18 | C20 | H35 | H36 | 120.0° | 120.0° |
| C18 | C20 | H35 | H37 | 120.0° | 120.0° |
| C18 | C20 | H36 | H37 | 120.0° | 120.0° |
| H32 | C18 | C19 | C21 | 175.2° | 55.0° |
| H32 | C18 | C19 | H33 | 63.9° | 175.0° |
| H32 | C18 | C19 | H34 | 54.4° | 65.0° |
| H32 | C18 | C20 | H35 | 60.1° | 60.0° |
| H32 | C18 | C20 | H36 | 59.9° | 180.0° |
| H32 | C18 | C20 | H37 | 179.9° | 60.0° |
| C21 | C19 | H33 | H34 | 117.4° | 120.0° |
| C19 | C21 | H38 | H39 | 120.0° | 120.0° |
| C19 | C21 | H38 | H40 | 120.0° | 120.0° |
| C19 | C21 | H39 | H40 | 120.0° | 120.0° |
| H33 | C19 | C21 | H38 | 59.1° | 60.0° |
| H33 | C19 | C21 | H39 | 179.2° | 180.0° |
| H33 | C19 | C21 | H40 | 60.8° | 60.0° |
| H34 | C19 | C21 | H38 | 59.2° | 60.0° |
| H34 | C19 | C21 | H39 | 60.9° | 60.0° |
| H34 | C19 | C21 | H40 | 179.1° | 180.0° |
| H35 | C20 | H36 | H37 | 120.0° | 120.0° |
| H38 | C21 | H39 | H40 | 120.0° | 120.0° |
| C22 | N6 | H41 | C17 | 180.0° | 179.9° |
| N6 | C22 | C23 | C24 | 126.5° | 119.8° |
| N6 | C22 | C23 | H42 | 119.0° | 119.7° |
| N6 | C22 | C24 | H42 | 117.9° | 120.4° |
| N6 | C22 | C23 | O6 | 179.7° | 33.4° |
| N6 | C22 | C24 | C25 | 55.8° | 177.3° |
| N6 | C22 | C24 | H43 | 176.3° | 57.3° |
| N6 | C22 | C24 | H44 | 64.8° | 62.6° |
| N6 | C22 | C23 | N7 | 6.8° | 146.6° |
| H41 | N6 | C22 | C23 | 88.1° | 50.7° |
| H41 | N6 | C22 | C24 | 36.6° | 170.5° |
| H41 | N6 | C22 | H42 | 153.6° | 68.9° |
| C23 | C22 | C24 | H42 | 114.9° | 120.4° |
| C22 | C23 | O6 | N7 | 172.4° | 180.0° |
| C23 | C22 | C24 | C25 | 71.5° | 63.5° |
| C23 | C22 | C24 | H43 | 49.1° | 176.5° |
| C23 | C22 | C24 | H44 | 168.0° | 56.5° |
| C22 | C23 | N7 | C26 | 179.9° | 179.9° |
| C22 | C23 | N7 | H46 | 0.1° | 0.1° |
| C23 | C22 | N6 | C17 | 92.0° | 129.3° |
| C24 | C22 | C23 | O6 | 53.9° | 153.2° |
| C22 | C24 | C25 | H43 | 120.5° | 120.0° |
| C22 | C24 | C25 | H44 | 120.5° | 120.1° |
| C22 | C24 | H43 | H44 | 118.3° | 120.0° |
| C22 | C24 | C25 | O7 | 171.2° | 13.0° |
| C22 | C24 | C25 | O8 | 10.6° | 167.0° |
| C24 | C22 | N6 | C17 | 143.4° | 9.5° |
| C24 | C22 | C23 | N7 | 133.3° | 26.8° |
| H42 | C22 | C23 | O6 | 60.7° | 86.3° |
| H42 | C22 | C24 | C25 | 173.7° | 56.9° |
| H42 | C22 | C24 | H43 | 65.8° | 63.1° |
| H42 | C22 | C24 | H44 | 53.1° | 176.9° |
| H42 | C22 | N6 | C17 | 26.4° | 111.0° |
| H42 | C22 | C23 | N7 | 112.2° | 93.7° |
| O6 | C23 | N7 | C26 | 7.6° | 0.1° |
| O6 | C23 | N7 | H46 | 172.4° | 179.9° |
| C25 | C24 | H43 | H44 | 118.3° | 119.9° |
| C24 | C25 | O7 | O8 | 178.2° | 180.0° |
| C24 | C25 | O8 | H45 | 178.2° | 179.9° |
| H43 | C24 | C25 | O7 | 50.7° | 107.0° |
| H43 | C24 | C25 | O8 | 131.1° | 73.0° |
| H44 | C24 | C25 | O7 | 68.2° | 133.0° |
| H44 | C24 | C25 | O8 | 110.0° | 46.9° |
| O7 | C25 | O8 | H45 | 0.0° | 0.1° |
| C26 | N7 | H46 | C23 | 180.0° | 180.0° |
| N7 | C26 | C27 | C28 | 121.1° | 119.8° |
| N7 | C26 | C27 | H47 | 120.3° | 119.8° |
| N7 | C26 | C28 | H47 | 119.4° | 120.3° |
| N7 | C26 | C27 | O9 | 90.0° | 30.0° |
| N7 | C26 | C28 | C29 | 177.5° | 65.0° |
| N7 | C26 | C28 | H48 | 57.2° | 55.0° |
| N7 | C26 | C28 | H49 | 62.1° | 175.0° |
| N7 | C26 | C27 | N9 | 84.8° | 150.1° |
| H46 | N7 | C26 | C27 | 8.5° | 48.0° |
| H46 | N7 | C26 | C28 | 112.2° | 71.8° |
| H46 | N7 | C26 | H47 | 129.0° | 167.9° |
| C27 | C26 | C28 | H47 | 119.4° | 120.3° |
| C26 | C27 | O9 | N9 | 174.3° | 179.9° |
| C27 | C26 | C28 | C29 | 61.3° | 175.6° |
| C27 | C26 | C28 | H48 | 178.4° | 64.4° |
| C27 | C26 | C28 | H49 | 59.1° | 55.7° |
| C26 | C27 | N9 | C30 | 169.1° | 180.0° |
| C26 | C27 | N9 | H52 | 10.9° | 0.1° |
| C27 | C26 | N7 | C23 | 171.5° | 132.0° |
| C28 | C26 | C27 | O9 | 31.0° | 89.8° |
| C26 | C28 | C29 | H48 | 120.3° | 120.0° |
| C26 | C28 | C29 | H49 | 120.3° | 120.0° |
| C26 | C28 | H48 | H49 | 119.0° | 120.0° |
| C26 | C28 | C29 | O10 | 9.5° | 0.0° |
| C26 | C28 | C29 | N8 | 167.3° | 180.0° |
| C28 | C26 | N7 | C23 | 67.8° | 108.2° |
| C28 | C26 | C27 | N9 | 154.2° | 90.1° |
| H47 | C26 | C27 | O9 | 149.7° | 149.8° |
| H47 | C26 | C28 | C29 | 58.1° | 55.3° |
| H47 | C26 | C28 | H48 | 62.2° | 175.3° |
| H47 | C26 | C28 | H49 | 178.5° | 64.7° |
| H47 | C26 | N7 | C23 | 51.0° | 12.1° |
| H47 | C26 | C27 | N9 | 35.5° | 30.3° |
| O9 | C27 | N9 | C30 | 5.3° | 0.0° |
| O9 | C27 | N9 | H52 | 174.7° | 180.0° |
| C29 | C28 | H48 | H49 | 119.0° | 120.0° |
| C28 | C29 | O10 | N8 | 176.6° | 180.0° |
| C28 | C29 | N8 | H50 | 176.7° | 0.0° |
| C28 | C29 | N8 | H51 | 3.3° | 180.0° |
| H48 | C28 | C29 | O10 | 129.8° | 120.0° |
| H48 | C28 | C29 | N8 | 47.0° | 60.0° |
| H49 | C28 | C29 | O10 | 110.9° | 120.0° |
| H49 | C28 | C29 | N8 | 72.4° | 60.0° |
| O10 | C29 | N8 | H50 | 0.0° | 180.0° |
| O10 | C29 | N8 | H51 | 180.0° | 0.0° |
| C29 | N8 | H50 | H51 | 180.0° | 180.0° |
| C30 | N9 | H52 | C27 | 180.0° | 180.0° |
| N9 | C30 | C31 | C32 | 126.0° | 119.7° |
| N9 | C30 | C31 | H53 | 117.3° | 119.8° |
| N9 | C30 | C32 | H53 | 117.8° | 120.5° |
| N9 | C30 | C31 | O11 | 163.2° | 32.7° |
| N9 | C30 | C32 | C33 | 82.0° | 80.2° |
| N9 | C30 | C32 | H54 | 38.2° | 39.8° |
| N9 | C30 | C32 | H55 | 157.8° | 159.9° |
| N9 | C30 | C31 | N10 | 15.9° | 147.3° |
| H52 | N9 | C30 | C31 | 107.1° | 51.7° |
| H52 | N9 | C30 | C32 | 18.7° | 171.4° |
| H52 | N9 | C30 | H53 | 136.1° | 68.1° |
| C31 | C30 | C32 | H53 | 116.4° | 120.4° |
| C30 | C31 | O11 | N10 | 179.0° | 180.0° |
| C31 | C30 | C32 | C33 | 152.3° | 160.7° |
| C31 | C30 | C32 | H54 | 87.5° | 79.3° |
| C31 | C30 | C32 | H55 | 32.1° | 40.7° |
| C30 | C31 | N10 | C35 | 172.6° | 179.9° |
| C30 | C31 | N10 | H61 | 7.4° | 0.0° |
| C31 | C30 | N9 | C27 | 72.8° | 128.3° |
| C32 | C30 | C31 | O11 | 70.8° | 152.4° |
| C30 | C32 | C33 | H54 | 120.2° | 120.0° |
| C30 | C32 | C33 | H55 | 120.2° | 120.0° |
| C30 | C32 | H54 | H55 | 119.3° | 120.0° |
| C30 | C32 | C33 | S1 | 59.9° | 173.0° |
| C30 | C32 | C33 | H56 | 60.8° | 67.0° |
| C30 | C32 | C33 | H57 | 179.4° | 53.0° |
| C32 | C30 | N9 | C27 | 161.3° | 8.6° |
| C32 | C30 | C31 | N10 | 110.1° | 27.6° |
| H53 | C30 | C31 | O11 | 45.9° | 87.1° |
| H53 | C30 | C32 | C33 | 35.9° | 40.3° |
| H53 | C30 | C32 | H54 | 156.1° | 160.3° |
| H53 | C30 | C32 | H55 | 84.4° | 79.7° |
| H53 | C30 | N9 | C27 | 43.9° | 112.0° |
| H53 | C30 | C31 | N10 | 133.2° | 92.9° |
| O11 | C31 | N10 | C35 | 6.5° | 0.1° |
| O11 | C31 | N10 | H61 | 173.5° | 180.0° |
| C33 | C32 | H54 | H55 | 119.3° | 120.0° |
| C32 | C33 | S1 | H56 | 120.7° | 120.0° |
| C32 | C33 | S1 | H57 | 120.7° | 120.0° |
| C32 | C33 | H56 | H57 | 117.8° | 120.0° |
| C32 | C33 | S1 | C34 | 79.2° | 180.0° |
| H54 | C32 | C33 | S1 | 179.9° | 53.0° |
| H54 | C32 | C33 | H56 | 59.4° | 173.0° |
| H54 | C32 | C33 | H57 | 59.1° | 67.0° |
| H55 | C32 | C33 | S1 | 60.3° | 67.0° |
| H55 | C32 | C33 | H56 | 179.0° | 53.0° |
| H55 | C32 | C33 | H57 | 60.4° | 173.0° |
| S1 | C33 | H56 | H57 | 117.8° | 120.0° |
| C33 | S1 | C34 | H58 | 180.0° | 60.0° |
| C33 | S1 | C34 | H59 | 60.0° | 180.0° |
| C33 | S1 | C34 | H60 | 60.0° | 60.0° |
| H56 | C33 | S1 | C34 | 160.1° | 60.0° |
| H57 | C33 | S1 | C34 | 41.5° | 60.0° |
| S1 | C34 | H58 | H59 | 120.0° | 120.0° |
| S1 | C34 | H58 | H60 | 120.0° | 120.0° |
| S1 | C34 | H59 | H60 | 120.0° | 119.9° |
| H58 | C34 | H59 | H60 | 120.0° | 120.0° |
| C35 | N10 | H61 | C31 | 180.0° | 179.9° |
| N10 | C35 | C36 | C37 | 118.4° | 119.8° |
| N10 | C35 | C36 | H62 | 121.7° | 119.9° |
| N10 | C35 | C37 | H62 | 124.2° | 120.3° |
| N10 | C35 | C36 | O12 | 156.8° | 32.0° |
| N10 | C35 | C37 | C38 | 70.2° | 65.0° |
| N10 | C35 | C37 | H63 | 50.3° | 54.9° |
| N10 | C35 | C37 | H64 | 169.4° | 175.0° |
| N10 | C35 | C36 | N1 | 24.9° | 147.7° |
| H61 | N10 | C35 | C36 | 117.7° | 48.3° |
| H61 | N10 | C35 | C37 | 3.0° | 71.3° |
| H61 | N10 | C35 | H62 | 121.2° | 168.2° |
| C36 | C35 | C37 | H62 | 119.3° | 120.3° |
| C35 | C36 | O12 | N1 | 178.2° | 179.7° |
| C36 | C35 | C37 | C38 | 173.4° | 175.6° |
| C36 | C35 | C37 | H63 | 66.2° | 64.4° |
| C36 | C35 | C37 | H64 | 52.9° | 55.6° |
| C36 | C35 | N10 | C31 | 62.3° | 131.8° |
| C37 | C35 | C36 | O12 | 84.7° | 87.8° |
| C35 | C37 | C38 | H63 | 120.5° | 120.0° |
| C35 | C37 | C38 | H64 | 120.5° | 120.0° |
| C35 | C37 | H63 | H64 | 118.5° | 120.0° |
| C35 | C37 | C38 | O13 | 15.7° | 0.0° |
| C35 | C37 | C38 | O14 | 165.8° | 180.0° |
| C37 | C35 | C36 | N1 | 93.5° | 92.5° |
| C37 | C35 | N10 | C31 | 177.0° | 108.6° |
| H62 | C35 | C36 | O12 | 35.1° | 151.9° |
| H62 | C35 | C37 | C38 | 54.1° | 55.3° |
| H62 | C35 | C37 | H63 | 174.5° | 175.3° |
| H62 | C35 | C37 | H64 | 66.4° | 64.7° |
| H62 | C35 | C36 | N1 | 146.6° | 27.8° |
| H62 | C35 | N10 | C31 | 58.8° | 11.8° |
| C38 | C37 | H63 | H64 | 118.4° | 120.0° |
| C37 | C38 | O13 | O14 | 178.3° | 180.0° |
| C37 | C38 | O14 | H65 | 178.3° | 180.0° |
| H63 | C37 | C38 | O13 | 136.2° | 120.0° |
| H63 | C37 | C38 | O14 | 45.3° | 60.0° |
| H64 | C37 | C38 | O13 | 104.8° | 120.0° |
| H64 | C37 | C38 | O14 | 73.7° | 60.0° |
| O13 | C38 | O14 | H65 | 0.0° | 0.1° |
