PRD_000824
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C1 | sing | 1.48Å | 1.44Å | |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| C1 | C2 | sing | 1.51Å | 1.54Å | |
| C1 | C3 | sing | 1.53Å | 1.53Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C2 | O1 | doub | 1.21Å | 1.24Å | |
| 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 | 1.49Å | |
| N2 | H6 | sing | 0.97Å | 1.00Å | |
| C4 | C5 | sing | 1.51Å | 1.55Å | |
| C4 | C6 | sing | 1.53Å | 1.57Å | |
| C4 | H7 | sing | 1.09Å | 1.10Å | |
| C5 | O3 | doub | 1.21Å | 1.23Å | |
| C6 | C7 | sing | 1.53Å | 1.56Å | |
| C6 | H8 | sing | 1.09Å | 1.10Å | |
| C6 | H9 | sing | 1.09Å | 1.10Å | |
| C7 | C8 | sing | 1.53Å | 1.58Å | |
| C7 | C9 | sing | 1.53Å | 1.59Å | |
| 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 | 1.47Å | |
| N3 | H17 | sing | 0.97Å | 1.00Å | |
| C10 | C11 | sing | 1.51Å | 1.54Å | |
| C10 | C12 | sing | 1.53Å | 1.52Å | |
| C10 | H18 | sing | 1.09Å | 1.10Å | |
| C11 | O4 | doub | 1.21Å | 1.25Å | |
| C12 | C13 | sing | 1.53Å | 1.59Å | |
| C12 | H19 | sing | 1.09Å | 1.10Å | |
| C12 | H20 | sing | 1.09Å | 1.10Å | |
| C13 | C14 | sing | 1.53Å | 1.54Å | |
| C13 | H21 | sing | 1.09Å | 1.10Å | |
| C13 | H22 | sing | 1.09Å | 1.10Å | |
| C14 | C15 | sing | 1.53Å | 1.58Å | |
| C14 | H23 | sing | 1.09Å | 1.10Å | |
| C14 | H24 | sing | 1.09Å | 1.10Å | |
| C15 | N4 | sing | 1.47Å | 1.48Å | |
| 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 | 1.48Å | |
| N5 | H30 | sing | 0.97Å | 1.00Å | |
| C16 | C17 | sing | 1.51Å | 1.51Å | |
| C16 | C18 | sing | 1.53Å | 1.56Å | |
| C16 | H31 | sing | 1.09Å | 1.10Å | |
| C17 | O5 | doub | 1.21Å | 1.29Å | |
| C18 | C19 | sing | 1.53Å | 1.54Å | |
| C18 | C20 | sing | 1.53Å | 1.55Å | |
| C18 | H32 | sing | 1.09Å | 1.10Å | |
| C19 | C21 | sing | 1.53Å | 1.62Å | |
| 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 | 1.47Å | |
| N6 | H41 | sing | 0.97Å | 1.00Å | |
| C22 | C23 | sing | 1.51Å | 1.54Å | |
| C22 | C24 | sing | 1.53Å | 1.59Å | |
| C22 | H42 | sing | 1.09Å | 1.10Å | |
| C23 | O6 | doub | 1.21Å | 1.26Å | |
| C24 | C25 | sing | 1.51Å | 1.60Å | |
| C24 | H43 | sing | 1.09Å | 1.10Å | |
| C24 | H44 | sing | 1.09Å | 1.10Å | |
| C25 | O7 | doub | 1.21Å | 1.30Å | |
| C25 | O8 | sing | 1.34Å | 1.24Å | |
| O8 | H45 | sing | 0.97Å | 0.95Å | |
| N7 | C26 | sing | 1.48Å | 1.47Å | |
| N7 | H46 | sing | 0.97Å | 1.00Å | |
| C26 | C27 | sing | 1.51Å | 1.51Å | |
| C26 | C28 | sing | 1.53Å | 1.51Å | |
| C26 | H47 | sing | 1.09Å | 1.10Å | |
| C27 | O9 | doub | 1.21Å | 1.27Å | |
| C28 | C29 | sing | 1.51Å | 1.51Å | |
| C28 | H48 | sing | 1.09Å | 1.10Å | |
| C28 | H49 | sing | 1.09Å | 1.10Å | |
| C29 | O10 | doub | 1.21Å | 1.23Å | |
| C29 | N8 | sing | 1.35Å | 1.32Å | |
| N8 | H50 | sing | 0.97Å | 1.00Å | |
| N8 | H51 | sing | 0.97Å | 1.00Å | |
| N9 | C30 | sing | 1.48Å | 1.46Å | |
| N9 | H52 | sing | 0.97Å | 1.00Å | |
| C30 | C31 | sing | 1.51Å | 1.55Å | |
| C30 | C32 | sing | 1.53Å | 1.54Å | |
| C30 | H53 | sing | 1.09Å | 1.10Å | |
| C31 | O11 | doub | 1.21Å | 1.24Å | |
| C32 | C33 | sing | 1.53Å | 1.51Å | |
| C32 | H54 | sing | 1.09Å | 1.10Å | |
| C32 | H55 | sing | 1.09Å | 1.10Å | |
| C33 | C34 | sing | 1.51Å | 1.54Å | |
| C33 | H56 | sing | 1.09Å | 1.10Å | |
| C33 | H57 | sing | 1.09Å | 1.10Å | |
| C34 | O12 | doub | 1.21Å | 1.22Å | |
| C34 | O13 | sing | 1.34Å | 1.27Å | |
| O13 | H58 | sing | 0.97Å | 0.95Å | |
| N10 | C35 | sing | 1.48Å | 1.47Å | |
| N10 | H59 | sing | 0.97Å | 1.00Å | |
| C35 | C36 | sing | 1.51Å | 1.53Å | |
| C35 | C37 | sing | 1.53Å | 1.53Å | |
| C35 | H60 | sing | 1.09Å | 1.10Å | |
| C36 | O14 | doub | 1.21Å | 1.24Å | |
| C37 | C38 | sing | 1.51Å | 1.50Å | |
| C37 | H61 | sing | 1.09Å | 1.10Å | |
| C37 | H62 | sing | 1.09Å | 1.10Å | |
| C38 | O15 | doub | 1.21Å | 1.25Å | |
| C38 | O16 | sing | 1.34Å | 1.25Å | |
| O16 | H63 | 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 | 1.33Å | |
| C17 | N6 | sing | 1.37Å | 1.34Å | |
| C23 | N7 | sing | 1.36Å | 1.33Å | |
| C27 | N9 | sing | 1.37Å | 1.33Å | |
| C31 | N10 | sing | 1.36Å | 1.36Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | N1 | H1 | 120.6° | 122.3° |
| N1 | C1 | C2 | 111.5° | 108.6° |
| N1 | C1 | C3 | 111.0° | 109.6° |
| N1 | C1 | H2 | 107.1° | 109.6° |
| C1 | N1 | C36 | 118.7° | 115.4° |
| H1 | N1 | C36 | 120.6° | 122.3° |
| C2 | C1 | C3 | 114.5° | 109.6° |
| C2 | C1 | H2 | 106.0° | 109.6° |
| C1 | C2 | O1 | 120.0° | 120.5° |
| C1 | C2 | N2 | 115.8° | 119.1° |
| C3 | C1 | H2 | 106.1° | 109.7° |
| C1 | C3 | O2 | 111.3° | 109.5° |
| C1 | C3 | H3 | 109.0° | 109.4° |
| C1 | C3 | H4 | 109.0° | 109.5° |
| O1 | C2 | N2 | 124.1° | 120.4° |
| O2 | C3 | H3 | 109.0° | 109.5° |
| O2 | C3 | H4 | 109.0° | 109.5° |
| C3 | O2 | H5 | 109.5° | 114.0° |
| H3 | C3 | H4 | 109.5° | 109.4° |
| C4 | N2 | H6 | 117.4° | 121.7° |
| N2 | C4 | C5 | 113.0° | 108.9° |
| N2 | C4 | C6 | 113.7° | 109.6° |
| N2 | C4 | H7 | 106.4° | 109.6° |
| C4 | N2 | C2 | 125.2° | 116.6° |
| H6 | N2 | C2 | 117.4° | 121.7° |
| C5 | C4 | C6 | 111.6° | 109.5° |
| C5 | C4 | H7 | 105.8° | 109.6° |
| C4 | C5 | O3 | 120.5° | 120.6° |
| C4 | C5 | N3 | 116.5° | 118.8° |
| C6 | C4 | H7 | 105.5° | 109.6° |
| C4 | C6 | C7 | 117.2° | 109.4° |
| C4 | C6 | H8 | 107.5° | 109.4° |
| C4 | C6 | H9 | 107.5° | 109.5° |
| O3 | C5 | N3 | 123.0° | 120.6° |
| C7 | C6 | H8 | 107.5° | 109.5° |
| C7 | C6 | H9 | 107.5° | 109.5° |
| C6 | C7 | C8 | 113.8° | 109.4° |
| C6 | C7 | C9 | 113.7° | 109.5° |
| C6 | C7 | H10 | 104.7° | 109.5° |
| H8 | C6 | H9 | 109.5° | 109.5° |
| C8 | C7 | C9 | 114.3° | 109.5° |
| C8 | C7 | H10 | 104.5° | 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 | 104.5° | 109.5° |
| C7 | C9 | H14 | 109.5° | 109.4° |
| C7 | C9 | H15 | 109.5° | 109.4° |
| C7 | C9 | H16 | 109.4° | 109.5° |
| H11 | C8 | H12 | 109.4° | 109.5° |
| H11 | C8 | H13 | 109.5° | 109.5° |
| H12 | C8 | H13 | 109.4° | 109.5° |
| H14 | C9 | H15 | 109.4° | 109.5° |
| H14 | C9 | H16 | 109.5° | 109.5° |
| H15 | C9 | H16 | 109.5° | 109.5° |
| C10 | N3 | H17 | 118.8° | 122.3° |
| N3 | C10 | C11 | 106.1° | 108.7° |
| N3 | C10 | C12 | 109.4° | 109.6° |
| N3 | C10 | H18 | 111.1° | 109.6° |
| C10 | N3 | C5 | 122.4° | 115.4° |
| H17 | N3 | C5 | 118.8° | 122.3° |
| C11 | C10 | C12 | 109.6° | 109.6° |
| C11 | C10 | H18 | 110.1° | 109.6° |
| C10 | C11 | O4 | 120.1° | 120.5° |
| C10 | C11 | N5 | 116.8° | 119.1° |
| C12 | C10 | H18 | 110.4° | 109.7° |
| C10 | C12 | C13 | 109.7° | 109.5° |
| C10 | C12 | H19 | 109.4° | 109.5° |
| C10 | C12 | H20 | 109.4° | 109.5° |
| O4 | C11 | N5 | 123.1° | 120.4° |
| C13 | C12 | H19 | 109.4° | 109.4° |
| C13 | C12 | H20 | 109.4° | 109.4° |
| C12 | C13 | C14 | 109.8° | 109.5° |
| C12 | C13 | H21 | 109.4° | 109.5° |
| C12 | C13 | H22 | 109.4° | 109.5° |
| H19 | C12 | H20 | 109.5° | 109.5° |
| C14 | C13 | H21 | 109.4° | 109.5° |
| C14 | C13 | H22 | 109.4° | 109.5° |
| C13 | C14 | C15 | 107.7° | 109.5° |
| C13 | C14 | H23 | 109.9° | 109.5° |
| C13 | C14 | H24 | 109.9° | 109.4° |
| H21 | C13 | H22 | 109.5° | 109.5° |
| C15 | C14 | H23 | 109.9° | 109.5° |
| C15 | C14 | H24 | 109.9° | 109.5° |
| C14 | C15 | N4 | 108.7° | 109.5° |
| C14 | C15 | H25 | 109.6° | 109.4° |
| C14 | C15 | H26 | 109.7° | 109.5° |
| H23 | C14 | H24 | 109.5° | 109.5° |
| N4 | C15 | H25 | 109.7° | 109.5° |
| N4 | C15 | H26 | 109.7° | 109.5° |
| C15 | N4 | H27 | 109.5° | 109.5° |
| C15 | N4 | H28 | 109.5° | 109.5° |
| 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° | 109.4° |
| H28 | N4 | H29 | 109.4° | 109.5° |
| C16 | N5 | H30 | 119.2° | 121.7° |
| N5 | C16 | C17 | 115.0° | 108.9° |
| N5 | C16 | C18 | 108.5° | 109.6° |
| N5 | C16 | H31 | 107.1° | 109.5° |
| C16 | N5 | C11 | 121.5° | 116.6° |
| H30 | N5 | C11 | 119.3° | 121.7° |
| C17 | C16 | C18 | 112.8° | 109.6° |
| C17 | C16 | H31 | 106.7° | 109.6° |
| C16 | C17 | O5 | 121.0° | 120.6° |
| C16 | C17 | N6 | 113.2° | 118.7° |
| C18 | C16 | H31 | 106.2° | 109.7° |
| C16 | C18 | C19 | 106.1° | 109.5° |
| C16 | C18 | C20 | 112.7° | 109.5° |
| C16 | C18 | H32 | 108.6° | 109.5° |
| O5 | C17 | N6 | 125.8° | 120.6° |
| C19 | C18 | C20 | 111.9° | 109.5° |
| C19 | C18 | H32 | 108.8° | 109.5° |
| C18 | C19 | C21 | 116.7° | 109.5° |
| C18 | C19 | H33 | 107.7° | 109.5° |
| C18 | C19 | H34 | 107.6° | 109.5° |
| C20 | C18 | H32 | 108.7° | 109.4° |
| C18 | C20 | H35 | 109.5° | 109.4° |
| C18 | C20 | H36 | 109.5° | 109.5° |
| C18 | C20 | H37 | 109.5° | 109.5° |
| C21 | C19 | H33 | 107.6° | 109.4° |
| C21 | C19 | H34 | 107.6° | 109.5° |
| C19 | C21 | H38 | 109.5° | 109.4° |
| C19 | C21 | H39 | 109.5° | 109.5° |
| C19 | C21 | H40 | 109.5° | 109.5° |
| H33 | C19 | H34 | 109.5° | 109.4° |
| H35 | C20 | H36 | 109.5° | 109.5° |
| H35 | C20 | H37 | 109.5° | 109.5° |
| H36 | C20 | H37 | 109.5° | 109.5° |
| H38 | C21 | H39 | 109.5° | 109.5° |
| H38 | C21 | H40 | 109.4° | 109.5° |
| H39 | C21 | H40 | 109.5° | 109.5° |
| C22 | N6 | H41 | 117.9° | 122.2° |
| N6 | C22 | C23 | 111.6° | 108.7° |
| N6 | C22 | C24 | 112.3° | 109.6° |
| N6 | C22 | H42 | 108.1° | 109.7° |
| C22 | N6 | C17 | 124.2° | 115.4° |
| H41 | N6 | C17 | 117.9° | 122.3° |
| C23 | C22 | C24 | 110.5° | 109.6° |
| C23 | C22 | H42 | 107.3° | 109.6° |
| C22 | C23 | O6 | 120.5° | 120.5° |
| C22 | C23 | N7 | 117.3° | 119.1° |
| C24 | C22 | H42 | 106.7° | 109.7° |
| C22 | C24 | C25 | 114.6° | 109.5° |
| C22 | C24 | H43 | 108.2° | 109.4° |
| C22 | C24 | H44 | 108.2° | 109.5° |
| O6 | C23 | N7 | 122.0° | 120.5° |
| C25 | C24 | H43 | 108.2° | 109.5° |
| C25 | C24 | H44 | 108.2° | 109.5° |
| C24 | C25 | O7 | 119.8° | 120.0° |
| C24 | C25 | O8 | 121.3° | 120.0° |
| H43 | C24 | H44 | 109.5° | 109.5° |
| O7 | C25 | O8 | 118.8° | 120.0° |
| C25 | O8 | H45 | 109.5° | 116.9° |
| C26 | N7 | H46 | 120.0° | 121.7° |
| N7 | C26 | C27 | 109.5° | 108.9° |
| N7 | C26 | C28 | 111.0° | 109.6° |
| N7 | C26 | H47 | 109.5° | 109.6° |
| C26 | N7 | C23 | 120.0° | 116.6° |
| H46 | N7 | C23 | 120.0° | 121.7° |
| C27 | C26 | C28 | 109.0° | 109.6° |
| C27 | C26 | H47 | 108.9° | 109.6° |
| C26 | C27 | O9 | 120.8° | 120.6° |
| C26 | C27 | N9 | 115.2° | 118.7° |
| C28 | C26 | H47 | 108.9° | 109.7° |
| C26 | C28 | C29 | 112.4° | 109.5° |
| C26 | C28 | H48 | 108.8° | 109.5° |
| C26 | C28 | H49 | 108.7° | 109.4° |
| O9 | C27 | N9 | 123.9° | 120.6° |
| C29 | C28 | H48 | 108.7° | 109.5° |
| C29 | C28 | H49 | 108.8° | 109.5° |
| C28 | C29 | O10 | 121.1° | 120.0° |
| C28 | C29 | N8 | 115.9° | 120.0° |
| H48 | C28 | H49 | 109.5° | 109.5° |
| O10 | C29 | N8 | 122.9° | 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 | 121.4° | 122.2° |
| N9 | C30 | C31 | 111.9° | 108.7° |
| N9 | C30 | C32 | 113.6° | 109.6° |
| N9 | C30 | H53 | 106.8° | 109.6° |
| C30 | N9 | C27 | 117.2° | 115.4° |
| H52 | N9 | C27 | 121.4° | 122.3° |
| C31 | C30 | C32 | 112.2° | 109.6° |
| C31 | C30 | H53 | 105.8° | 109.7° |
| C30 | C31 | O11 | 117.2° | 120.5° |
| C30 | C31 | N10 | 118.7° | 119.1° |
| C32 | C30 | H53 | 105.9° | 109.7° |
| C30 | C32 | C33 | 113.0° | 109.5° |
| C30 | C32 | H54 | 108.6° | 109.4° |
| C30 | C32 | H55 | 108.6° | 109.4° |
| O11 | C31 | N10 | 124.1° | 120.4° |
| C33 | C32 | H54 | 108.6° | 109.5° |
| C33 | C32 | H55 | 108.6° | 109.5° |
| C32 | C33 | C34 | 116.4° | 109.4° |
| C32 | C33 | H56 | 107.7° | 109.5° |
| C32 | C33 | H57 | 107.7° | 109.5° |
| H54 | C32 | H55 | 109.5° | 109.5° |
| C34 | C33 | H56 | 107.7° | 109.5° |
| C34 | C33 | H57 | 107.7° | 109.5° |
| C33 | C34 | O12 | 118.9° | 120.0° |
| C33 | C34 | O13 | 119.8° | 120.0° |
| H56 | C33 | H57 | 109.5° | 109.5° |
| O12 | C34 | O13 | 121.2° | 120.0° |
| C34 | O13 | H58 | 109.5° | 117.0° |
| C35 | N10 | H59 | 119.0° | 121.8° |
| N10 | C35 | C36 | 109.5° | 108.9° |
| N10 | C35 | C37 | 112.1° | 109.6° |
| N10 | C35 | H60 | 110.3° | 109.6° |
| C35 | N10 | C31 | 121.9° | 116.6° |
| H59 | N10 | C31 | 119.1° | 121.7° |
| C36 | C35 | C37 | 105.7° | 109.3° |
| C36 | C35 | H60 | 109.6° | 109.7° |
| C35 | C36 | O14 | 119.7° | 120.6° |
| C35 | C36 | N1 | 117.7° | 118.8° |
| C37 | C35 | H60 | 109.5° | 109.6° |
| C35 | C37 | C38 | 112.4° | 109.5° |
| C35 | C37 | H61 | 108.7° | 109.5° |
| C35 | C37 | H62 | 108.7° | 109.5° |
| O14 | C36 | N1 | 122.5° | 120.6° |
| C38 | C37 | H61 | 108.7° | 109.4° |
| C38 | C37 | H62 | 108.7° | 109.5° |
| C37 | C38 | O15 | 117.1° | 120.0° |
| C37 | C38 | O16 | 119.0° | 120.0° |
| H61 | C37 | H62 | 109.5° | 109.5° |
| O15 | C38 | O16 | 123.9° | 120.0° |
| C38 | O16 | H63 | 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° | 179.7° |
| N1 | C1 | C2 | C3 | 127.1° | 119.7° |
| N1 | C1 | C2 | H2 | 116.3° | 119.8° |
| N1 | C1 | C3 | H2 | 116.0° | 120.5° |
| N1 | C1 | C2 | O1 | 163.0° | 32.7° |
| N1 | C1 | C3 | O2 | 52.7° | 175.9° |
| N1 | C1 | C3 | H3 | 173.0° | 64.1° |
| N1 | C1 | C3 | H4 | 67.6° | 55.9° |
| C1 | N1 | C36 | C35 | 178.1° | 179.8° |
| C1 | N1 | C36 | O14 | 4.4° | 0.1° |
| N1 | C1 | C2 | N2 | 20.6° | 147.2° |
| H1 | N1 | C1 | C2 | 66.7° | 49.4° |
| H1 | N1 | C1 | C3 | 62.3° | 169.1° |
| H1 | N1 | C1 | H2 | 177.7° | 70.4° |
| H1 | N1 | C36 | C35 | 1.9° | 0.4° |
| H1 | N1 | C36 | O14 | 175.6° | 179.8° |
| C2 | C1 | C3 | H2 | 116.6° | 120.4° |
| C1 | C2 | O1 | N2 | 176.0° | 180.0° |
| C2 | C1 | C3 | O2 | 74.7° | 56.8° |
| C2 | C1 | C3 | H3 | 45.6° | 176.8° |
| C2 | C1 | C3 | H4 | 165.0° | 63.2° |
| C1 | C2 | N2 | C4 | 178.0° | 179.9° |
| C1 | C2 | N2 | H6 | 2.0° | 0.1° |
| C2 | C1 | N1 | C36 | 113.3° | 130.9° |
| C3 | C1 | C2 | O1 | 35.9° | 152.5° |
| C1 | C3 | O2 | H3 | 120.3° | 120.0° |
| C1 | C3 | O2 | H4 | 120.3° | 120.0° |
| C1 | C3 | H3 | H4 | 119.2° | 120.0° |
| C1 | C3 | O2 | H5 | 180.0° | 180.0° |
| C3 | C1 | N1 | C36 | 117.7° | 11.2° |
| C3 | C1 | C2 | N2 | 147.7° | 27.5° |
| H2 | C1 | C2 | O1 | 80.7° | 87.0° |
| H2 | C1 | C3 | O2 | 168.7° | 63.6° |
| H2 | C1 | C3 | H3 | 71.0° | 56.4° |
| H2 | C1 | C3 | H4 | 48.5° | 176.3° |
| H2 | C1 | N1 | C36 | 2.3° | 109.3° |
| H2 | C1 | C2 | N2 | 95.7° | 93.0° |
| O1 | C2 | N2 | C4 | 1.8° | 0.1° |
| O1 | C2 | N2 | H6 | 178.2° | 179.9° |
| O2 | C3 | H3 | H4 | 119.1° | 120.0° |
| H3 | C3 | O2 | H5 | 59.8° | 60.0° |
| H4 | C3 | O2 | H5 | 59.7° | 60.0° |
| C4 | N2 | H6 | C2 | 180.0° | 180.0° |
| N2 | C4 | C5 | C6 | 129.6° | 119.8° |
| N2 | C4 | C5 | H7 | 116.1° | 119.9° |
| N2 | C4 | C6 | H7 | 116.3° | 120.3° |
| N2 | C4 | C5 | O3 | 150.5° | 30.8° |
| N2 | C4 | C6 | C7 | 61.2° | 64.1° |
| N2 | C4 | C6 | H8 | 59.9° | 55.9° |
| N2 | C4 | C6 | H9 | 177.7° | 175.9° |
| N2 | C4 | C5 | N3 | 32.3° | 149.2° |
| H6 | N2 | C4 | C5 | 119.5° | 48.7° |
| H6 | N2 | C4 | C6 | 111.9° | 71.1° |
| H6 | N2 | C4 | H7 | 3.8° | 168.6° |
| C5 | C4 | C6 | H7 | 114.4° | 120.3° |
| C4 | C5 | O3 | N3 | 177.0° | 180.0° |
| C5 | C4 | C6 | C7 | 169.5° | 176.5° |
| C5 | C4 | C6 | H8 | 69.4° | 63.5° |
| C5 | C4 | C6 | H9 | 48.4° | 56.5° |
| C4 | C5 | N3 | C10 | 174.5° | 180.0° |
| C4 | C5 | N3 | H17 | 5.5° | 0.1° |
| C5 | C4 | N2 | C2 | 60.5° | 131.3° |
| C6 | C4 | C5 | O3 | 20.9° | 89.0° |
| C4 | C6 | C7 | H8 | 121.1° | 119.9° |
| C4 | C6 | C7 | H9 | 121.1° | 120.0° |
| C4 | C6 | H8 | H9 | 116.5° | 120.0° |
| C4 | C6 | C7 | C8 | 157.5° | 173.4° |
| C4 | C6 | C7 | C9 | 69.3° | 66.7° |
| C4 | C6 | C7 | H10 | 44.1° | 53.4° |
| C6 | C4 | N2 | C2 | 68.1° | 108.9° |
| C6 | C4 | C5 | N3 | 161.9° | 91.0° |
| H7 | C4 | C5 | O3 | 93.4° | 150.6° |
| H7 | C4 | C6 | C7 | 55.1° | 56.2° |
| H7 | C4 | C6 | H8 | 176.2° | 176.2° |
| H7 | C4 | C6 | H9 | 66.0° | 63.8° |
| H7 | C4 | N2 | C2 | 176.2° | 11.5° |
| H7 | C4 | C5 | N3 | 83.8° | 29.3° |
| O3 | C5 | N3 | C10 | 2.6° | 0.1° |
| O3 | C5 | N3 | H17 | 177.4° | 179.9° |
| C7 | C6 | H8 | H9 | 116.5° | 120.0° |
| C6 | C7 | C8 | C9 | 132.9° | 120.0° |
| C6 | C7 | C8 | H10 | 113.6° | 120.0° |
| C6 | C7 | C9 | H10 | 113.5° | 120.0° |
| C6 | C7 | C8 | H11 | 180.0° | 55.1° |
| C6 | C7 | C8 | H12 | 60.0° | 175.1° |
| C6 | C7 | C8 | H13 | 60.0° | 65.0° |
| 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 | 36.4° | 53.4° |
| H8 | C6 | C7 | C9 | 169.6° | 173.4° |
| H8 | C6 | C7 | H10 | 77.0° | 66.5° |
| H9 | C6 | C7 | C8 | 81.4° | 66.6° |
| H9 | C6 | C7 | C9 | 51.8° | 53.4° |
| H9 | C6 | C7 | H10 | 165.2° | 173.4° |
| C8 | C7 | C9 | H10 | 113.5° | 120.0° |
| 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 | 47.1° | 180.0° |
| C8 | C7 | C9 | H15 | 72.9° | 60.0° |
| C8 | C7 | C9 | H16 | 167.1° | 60.0° |
| C9 | C7 | C8 | H11 | 47.2° | 64.9° |
| C9 | C7 | C8 | H12 | 167.1° | 55.1° |
| C9 | C7 | C8 | H13 | 72.9° | 175.0° |
| C7 | C9 | H14 | H15 | 120.0° | 120.0° |
| C7 | C9 | H14 | H16 | 120.0° | 120.0° |
| C7 | C9 | H15 | H16 | 120.0° | 120.0° |
| H10 | C7 | C8 | H11 | 66.4° | 175.0° |
| H10 | C7 | C8 | H12 | 53.6° | 65.0° |
| H10 | C7 | C8 | H13 | 173.6° | 55.0° |
| H10 | C7 | C9 | H14 | 66.5° | 60.0° |
| H10 | C7 | C9 | H15 | 173.5° | 60.0° |
| H10 | C7 | C9 | H16 | 53.6° | 180.0° |
| H11 | C8 | H12 | H13 | 120.0° | 120.0° |
| H14 | C9 | H15 | H16 | 120.0° | 120.0° |
| C10 | N3 | H17 | C5 | 180.0° | 179.9° |
| N3 | C10 | C11 | C12 | 118.0° | 119.8° |
| N3 | C10 | C11 | H18 | 120.3° | 119.7° |
| N3 | C10 | C12 | H18 | 122.6° | 120.4° |
| N3 | C10 | C11 | O4 | 23.9° | 33.4° |
| N3 | C10 | C12 | C13 | 55.4° | 63.7° |
| N3 | C10 | C12 | H19 | 64.7° | 176.3° |
| N3 | C10 | C12 | H20 | 175.4° | 56.3° |
| N3 | C10 | C11 | N5 | 153.8° | 146.6° |
| H17 | N3 | C10 | C11 | 66.1° | 50.8° |
| H17 | N3 | C10 | C12 | 52.1° | 170.6° |
| H17 | N3 | C10 | H18 | 174.3° | 68.9° |
| C11 | C10 | C12 | H18 | 121.5° | 120.4° |
| C10 | C11 | O4 | N5 | 177.5° | 180.0° |
| C11 | C10 | C12 | C13 | 171.3° | 55.5° |
| C11 | C10 | C12 | H19 | 51.3° | 64.5° |
| C11 | C10 | C12 | H20 | 68.7° | 175.5° |
| C10 | C11 | N5 | C16 | 179.7° | 179.9° |
| C10 | C11 | N5 | H30 | 0.3° | 0.1° |
| C11 | C10 | N3 | C5 | 113.9° | 129.1° |
| C12 | C10 | C11 | O4 | 94.1° | 153.1° |
| C10 | C12 | C13 | H19 | 120.1° | 120.0° |
| C10 | C12 | C13 | H20 | 120.0° | 120.0° |
| C10 | C12 | H19 | H20 | 119.9° | 120.1° |
| C10 | C12 | C13 | C14 | 66.7° | 174.1° |
| C10 | C12 | C13 | H21 | 53.3° | 54.1° |
| C10 | C12 | C13 | H22 | 173.2° | 65.9° |
| C12 | C10 | N3 | C5 | 127.9° | 9.3° |
| C12 | C10 | C11 | N5 | 88.2° | 26.8° |
| H18 | C10 | C11 | O4 | 144.2° | 86.4° |
| H18 | C10 | C12 | C13 | 67.2° | 175.9° |
| H18 | C10 | C12 | H19 | 172.8° | 55.9° |
| H18 | C10 | C12 | H20 | 52.8° | 64.1° |
| H18 | C10 | N3 | C5 | 5.8° | 111.2° |
| H18 | C10 | C11 | N5 | 33.5° | 93.7° |
| O4 | C11 | N5 | C16 | 2.7° | 0.1° |
| O4 | C11 | N5 | H30 | 177.4° | 180.0° |
| C13 | C12 | H19 | H20 | 119.9° | 119.9° |
| C12 | C13 | C14 | H21 | 120.0° | 120.0° |
| C12 | C13 | C14 | H22 | 120.0° | 120.0° |
| C12 | C13 | H21 | H22 | 119.9° | 120.0° |
| C12 | C13 | C14 | C15 | 165.0° | 180.0° |
| C12 | C13 | C14 | H23 | 45.3° | 60.0° |
| C12 | C13 | C14 | H24 | 75.2° | 60.0° |
| H19 | C12 | C13 | C14 | 173.2° | 65.9° |
| H19 | C12 | C13 | H21 | 66.7° | 174.1° |
| H19 | C12 | C13 | H22 | 53.2° | 54.1° |
| H20 | C12 | C13 | C14 | 53.3° | 54.0° |
| H20 | C12 | C13 | H21 | 173.3° | 66.0° |
| H20 | C12 | C13 | H22 | 66.7° | 174.0° |
| C14 | C13 | H21 | H22 | 119.8° | 120.0° |
| C13 | C14 | C15 | H23 | 119.7° | 120.0° |
| C13 | C14 | C15 | H24 | 119.7° | 120.0° |
| C13 | C14 | H23 | H24 | 120.8° | 120.0° |
| C13 | C14 | C15 | N4 | 165.6° | 180.0° |
| C13 | C14 | C15 | H25 | 45.7° | 60.0° |
| C13 | C14 | C15 | H26 | 74.5° | 60.0° |
| H21 | C13 | C14 | C15 | 74.9° | 60.0° |
| H21 | C13 | C14 | H23 | 165.3° | 180.0° |
| H21 | C13 | C14 | H24 | 44.8° | 60.0° |
| H22 | C13 | C14 | C15 | 45.0° | 60.0° |
| H22 | C13 | C14 | H23 | 74.7° | 60.0° |
| H22 | C13 | C14 | H24 | 164.7° | 180.0° |
| C15 | C14 | H23 | H24 | 120.8° | 120.0° |
| C14 | C15 | N4 | H25 | 119.8° | 120.0° |
| C14 | C15 | N4 | H26 | 119.9° | 120.0° |
| C14 | C15 | H25 | H26 | 120.3° | 120.0° |
| C14 | C15 | N4 | H27 | 180.0° | 60.0° |
| C14 | C15 | N4 | H28 | 60.0° | 180.0° |
| C14 | C15 | N4 | H29 | 60.0° | 60.0° |
| H23 | C14 | C15 | N4 | 74.7° | 60.0° |
| H23 | C14 | C15 | H25 | 165.5° | 180.0° |
| H23 | C14 | C15 | H26 | 45.2° | 60.0° |
| H24 | C14 | C15 | N4 | 45.9° | 60.1° |
| H24 | C14 | C15 | H25 | 74.0° | 60.0° |
| H24 | C14 | C15 | H26 | 165.8° | 179.9° |
| N4 | C15 | H25 | H26 | 120.4° | 120.0° |
| C15 | N4 | H27 | H28 | 120.0° | 120.0° |
| C15 | N4 | H27 | H29 | 120.0° | 120.0° |
| C15 | N4 | H28 | H29 | 120.0° | 120.1° |
| H25 | C15 | N4 | H27 | 60.1° | 60.0° |
| H25 | C15 | N4 | H28 | 179.8° | 60.0° |
| H25 | C15 | N4 | H29 | 59.9° | 180.0° |
| H26 | C15 | N4 | H27 | 60.1° | 180.0° |
| H26 | C15 | N4 | H28 | 59.9° | 60.0° |
| H26 | C15 | N4 | H29 | 179.9° | 60.0° |
| H27 | N4 | H28 | H29 | 120.0° | 119.9° |
| C16 | N5 | H30 | C11 | 180.0° | 179.9° |
| N5 | C16 | C17 | C18 | 125.2° | 119.8° |
| N5 | C16 | C17 | H31 | 118.6° | 119.8° |
| N5 | C16 | C18 | H31 | 114.8° | 120.3° |
| N5 | C16 | C17 | O5 | 147.2° | 30.7° |
| N5 | C16 | C18 | C19 | 60.7° | 175.0° |
| N5 | C16 | C18 | C20 | 176.5° | 65.0° |
| N5 | C16 | C18 | H32 | 56.1° | 55.0° |
| N5 | C16 | C17 | N6 | 33.6° | 149.2° |
| H30 | N5 | C16 | C17 | 124.0° | 48.0° |
| H30 | N5 | C16 | C18 | 3.3° | 71.8° |
| H30 | N5 | C16 | H31 | 117.6° | 167.8° |
| C17 | C16 | C18 | H31 | 116.5° | 120.4° |
| C16 | C17 | O5 | N6 | 179.1° | 179.9° |
| C17 | C16 | C18 | C19 | 170.7° | 65.7° |
| C17 | C16 | C18 | C20 | 47.8° | 54.4° |
| C17 | C16 | C18 | H32 | 72.6° | 174.3° |
| C16 | C17 | N6 | C22 | 178.7° | 179.9° |
| C16 | C17 | N6 | H41 | 1.3° | 0.0° |
| C17 | C16 | N5 | C11 | 55.9° | 132.2° |
| C18 | C16 | C17 | O5 | 87.6° | 89.1° |
| C16 | C18 | C19 | C20 | 123.3° | 120.0° |
| C16 | C18 | C19 | H32 | 116.6° | 120.0° |
| C16 | C18 | C20 | H32 | 120.4° | 120.0° |
| C16 | C18 | C19 | C21 | 76.4° | 175.0° |
| C16 | C18 | C19 | H33 | 44.6° | 65.0° |
| C16 | C18 | C19 | H34 | 162.5° | 54.9° |
| C16 | C18 | C20 | H35 | 180.0° | 60.0° |
| C16 | C18 | C20 | H36 | 60.0° | 180.0° |
| C16 | C18 | C20 | H37 | 60.0° | 60.0° |
| C18 | C16 | N5 | C11 | 176.7° | 108.0° |
| C18 | C16 | C17 | N6 | 91.6° | 91.0° |
| H31 | C16 | C17 | O5 | 28.6° | 150.5° |
| H31 | C16 | C18 | C19 | 54.1° | 54.7° |
| H31 | C16 | C18 | C20 | 68.7° | 174.7° |
| H31 | C16 | C18 | H32 | 170.9° | 65.3° |
| H31 | C16 | N5 | C11 | 62.5° | 12.3° |
| H31 | C16 | C17 | N6 | 152.1° | 29.4° |
| O5 | C17 | N6 | C22 | 0.5° | 0.2° |
| O5 | C17 | N6 | H41 | 179.5° | 179.9° |
| C19 | C18 | C20 | H32 | 120.2° | 120.0° |
| C18 | C19 | C21 | H33 | 121.1° | 120.0° |
| C18 | C19 | C21 | H34 | 121.0° | 120.0° |
| C18 | C19 | H33 | H34 | 116.7° | 120.0° |
| C19 | C18 | C20 | H35 | 60.5° | 60.0° |
| C19 | C18 | C20 | H36 | 179.5° | 60.0° |
| C19 | C18 | C20 | H37 | 59.5° | 180.0° |
| C18 | C19 | C21 | H38 | 180.0° | 60.0° |
| C18 | C19 | C21 | H39 | 60.0° | 180.0° |
| C18 | C19 | C21 | H40 | 60.0° | 60.0° |
| C20 | C18 | C19 | C21 | 46.9° | 65.0° |
| C20 | C18 | C19 | H33 | 167.9° | 55.0° |
| C20 | C18 | C19 | H34 | 74.2° | 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 | 167.0° | 55.0° |
| H32 | C18 | C19 | H33 | 72.0° | 175.0° |
| H32 | C18 | C19 | H34 | 45.9° | 65.1° |
| H32 | C18 | C20 | H35 | 59.7° | 180.0° |
| H32 | C18 | C20 | H36 | 60.4° | 60.0° |
| H32 | C18 | C20 | H37 | 179.7° | 60.0° |
| C21 | C19 | H33 | H34 | 116.7° | 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 | 58.9° | 60.0° |
| H33 | C19 | C21 | H39 | 178.9° | 60.0° |
| H33 | C19 | C21 | H40 | 61.1° | 180.0° |
| H34 | C19 | C21 | H38 | 59.0° | 180.0° |
| H34 | C19 | C21 | H39 | 61.0° | 60.0° |
| H34 | C19 | C21 | H40 | 179.0° | 60.0° |
| 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 | 125.8° | 119.7° |
| N6 | C22 | C23 | H42 | 118.2° | 119.8° |
| N6 | C22 | C24 | H42 | 118.3° | 120.5° |
| N6 | C22 | C23 | O6 | 176.9° | 33.5° |
| N6 | C22 | C24 | C25 | 54.6° | 177.3° |
| N6 | C22 | C24 | H43 | 175.3° | 57.3° |
| N6 | C22 | C24 | H44 | 66.2° | 62.8° |
| N6 | C22 | C23 | N7 | 1.4° | 146.5° |
| H41 | N6 | C22 | C23 | 86.5° | 50.8° |
| H41 | N6 | C22 | C24 | 38.3° | 170.5° |
| H41 | N6 | C22 | H42 | 155.8° | 69.0° |
| C23 | C22 | C24 | H42 | 116.3° | 120.4° |
| C22 | C23 | O6 | N7 | 175.3° | 179.9° |
| C23 | C22 | C24 | C25 | 70.8° | 63.6° |
| C23 | C22 | C24 | H43 | 49.9° | 176.4° |
| C23 | C22 | C24 | H44 | 168.4° | 56.4° |
| C22 | C23 | N7 | C26 | 179.9° | 179.9° |
| C22 | C23 | N7 | H46 | 0.1° | 0.1° |
| C23 | C22 | N6 | C17 | 93.5° | 129.3° |
| C24 | C22 | C23 | O6 | 57.3° | 153.2° |
| C22 | C24 | C25 | H43 | 120.7° | 119.9° |
| C22 | C24 | C25 | H44 | 120.8° | 120.0° |
| C22 | C24 | H43 | H44 | 117.7° | 120.0° |
| C22 | C24 | C25 | O7 | 171.8° | 12.6° |
| C22 | C24 | C25 | O8 | 11.0° | 167.3° |
| C24 | C22 | N6 | C17 | 141.7° | 9.6° |
| C24 | C22 | C23 | N7 | 127.2° | 26.8° |
| H42 | C22 | C23 | O6 | 58.7° | 86.3° |
| H42 | C22 | C24 | C25 | 172.9° | 56.8° |
| H42 | C22 | C24 | H43 | 66.4° | 63.2° |
| H42 | C22 | C24 | H44 | 52.1° | 176.8° |
| H42 | C22 | N6 | C17 | 24.3° | 110.9° |
| H42 | C22 | C23 | N7 | 116.8° | 93.6° |
| O6 | C23 | N7 | C26 | 4.6° | 0.1° |
| O6 | C23 | N7 | H46 | 175.4° | 180.0° |
| C25 | C24 | H43 | H44 | 117.7° | 120.0° |
| C24 | C25 | O7 | O8 | 177.3° | 179.9° |
| C24 | C25 | O8 | H45 | 177.3° | 180.0° |
| H43 | C24 | C25 | O7 | 51.0° | 107.3° |
| H43 | C24 | C25 | O8 | 131.8° | 72.8° |
| H44 | C24 | C25 | O7 | 67.5° | 132.6° |
| H44 | C24 | C25 | O8 | 109.7° | 47.3° |
| O7 | C25 | O8 | H45 | 0.0° | 0.1° |
| C26 | N7 | H46 | C23 | 180.0° | 180.0° |
| N7 | C26 | C27 | C28 | 121.6° | 119.8° |
| N7 | C26 | C27 | H47 | 119.7° | 119.8° |
| N7 | C26 | C28 | H47 | 120.6° | 120.3° |
| N7 | C26 | C27 | O9 | 93.3° | 29.9° |
| N7 | C26 | C28 | C29 | 179.7° | 65.0° |
| N7 | C26 | C28 | H48 | 59.3° | 55.0° |
| N7 | C26 | C28 | H49 | 59.9° | 175.0° |
| N7 | C26 | C27 | N9 | 84.1° | 150.0° |
| H46 | N7 | C26 | C27 | 11.0° | 48.0° |
| H46 | N7 | C26 | C28 | 109.4° | 71.8° |
| H46 | N7 | C26 | H47 | 130.4° | 167.8° |
| C27 | C26 | C28 | H47 | 118.7° | 120.3° |
| C26 | C27 | O9 | N9 | 177.1° | 180.0° |
| C27 | C26 | C28 | C29 | 59.6° | 175.6° |
| C27 | C26 | C28 | H48 | 180.0° | 64.4° |
| C27 | C26 | C28 | H49 | 60.9° | 55.6° |
| C26 | C27 | N9 | C30 | 169.0° | 180.0° |
| C26 | C27 | N9 | H52 | 11.0° | 0.0° |
| C27 | C26 | N7 | C23 | 169.0° | 132.0° |
| C28 | C26 | C27 | O9 | 28.4° | 89.9° |
| C26 | C28 | C29 | H48 | 120.5° | 120.0° |
| C26 | C28 | C29 | H49 | 120.4° | 119.9° |
| C26 | C28 | H48 | H49 | 118.7° | 120.0° |
| C26 | C28 | C29 | O10 | 2.3° | 0.0° |
| C26 | C28 | C29 | N8 | 177.2° | 180.0° |
| C28 | C26 | N7 | C23 | 70.6° | 108.2° |
| C28 | C26 | C27 | N9 | 154.3° | 90.2° |
| H47 | C26 | C27 | O9 | 147.0° | 149.7° |
| H47 | C26 | C28 | C29 | 59.1° | 55.3° |
| H47 | C26 | C28 | H48 | 61.3° | 175.3° |
| H47 | C26 | C28 | H49 | 179.6° | 64.7° |
| H47 | C26 | N7 | C23 | 49.6° | 12.2° |
| H47 | C26 | C27 | N9 | 35.6° | 30.2° |
| O9 | C27 | N9 | C30 | 8.2° | 0.1° |
| O9 | C27 | N9 | H52 | 171.7° | 179.9° |
| C29 | C28 | H48 | H49 | 118.7° | 120.0° |
| C28 | C29 | O10 | N8 | 179.5° | 180.0° |
| C28 | C29 | N8 | H50 | 179.5° | 0.0° |
| C28 | C29 | N8 | H51 | 0.5° | 179.9° |
| H48 | C28 | C29 | O10 | 118.2° | 120.0° |
| H48 | C28 | C29 | N8 | 62.3° | 60.0° |
| H49 | C28 | C29 | O10 | 122.7° | 120.0° |
| H49 | C28 | C29 | N8 | 56.8° | 60.1° |
| O10 | C29 | N8 | H50 | 0.0° | 180.0° |
| O10 | C29 | N8 | H51 | 180.0° | 0.0° |
| C29 | N8 | H50 | H51 | 180.0° | 179.9° |
| C30 | N9 | H52 | C27 | 180.0° | 180.0° |
| N9 | C30 | C31 | C32 | 129.1° | 119.7° |
| N9 | C30 | C31 | H53 | 115.9° | 119.8° |
| N9 | C30 | C32 | H53 | 116.9° | 120.4° |
| N9 | C30 | C31 | O11 | 163.4° | 32.7° |
| N9 | C30 | C32 | C33 | 81.2° | 80.3° |
| N9 | C30 | C32 | H54 | 39.3° | 39.8° |
| N9 | C30 | C32 | H55 | 158.2° | 159.7° |
| N9 | C30 | C31 | N10 | 15.4° | 147.3° |
| H52 | N9 | C30 | C31 | 108.1° | 51.7° |
| H52 | N9 | C30 | C32 | 20.2° | 171.4° |
| H52 | N9 | C30 | H53 | 136.6° | 68.1° |
| C31 | C30 | C32 | H53 | 115.0° | 120.5° |
| C30 | C31 | O11 | N10 | 178.7° | 180.0° |
| C31 | C30 | C32 | C33 | 150.6° | 160.6° |
| C31 | C30 | C32 | H54 | 88.9° | 79.4° |
| C31 | C30 | C32 | H55 | 30.1° | 40.6° |
| C30 | C31 | N10 | C35 | 168.1° | 179.9° |
| C30 | C31 | N10 | H59 | 11.9° | 0.0° |
| C31 | C30 | N9 | C27 | 71.9° | 128.3° |
| C32 | C30 | C31 | O11 | 67.5° | 152.5° |
| C30 | C32 | C33 | H54 | 120.5° | 120.0° |
| C30 | C32 | C33 | H55 | 120.5° | 120.0° |
| C30 | C32 | H54 | H55 | 118.4° | 119.9° |
| C30 | C32 | C33 | C34 | 61.6° | 173.7° |
| C30 | C32 | C33 | H56 | 59.4° | 66.4° |
| C30 | C32 | C33 | H57 | 177.4° | 53.7° |
| C32 | C30 | N9 | C27 | 159.8° | 8.6° |
| C32 | C30 | C31 | N10 | 113.7° | 27.6° |
| H53 | C30 | C31 | O11 | 47.5° | 87.0° |
| H53 | C30 | C32 | C33 | 35.7° | 40.1° |
| H53 | C30 | C32 | H54 | 156.2° | 160.1° |
| H53 | C30 | C32 | H55 | 84.9° | 79.9° |
| H53 | C30 | N9 | C27 | 43.4° | 111.9° |
| H53 | C30 | C31 | N10 | 131.2° | 92.9° |
| O11 | C31 | N10 | C35 | 10.6° | 0.0° |
| O11 | C31 | N10 | H59 | 169.4° | 180.0° |
| C33 | C32 | H54 | H55 | 118.4° | 120.1° |
| C32 | C33 | C34 | H56 | 121.0° | 120.0° |
| C32 | C33 | C34 | H57 | 121.0° | 120.0° |
| C32 | C33 | H56 | H57 | 116.9° | 120.0° |
| C32 | C33 | C34 | O12 | 24.1° | 0.0° |
| C32 | C33 | C34 | O13 | 159.8° | 180.0° |
| H54 | C32 | C33 | C34 | 177.9° | 53.7° |
| H54 | C32 | C33 | H56 | 61.1° | 173.7° |
| H54 | C32 | C33 | H57 | 56.9° | 66.3° |
| H55 | C32 | C33 | C34 | 59.0° | 66.4° |
| H55 | C32 | C33 | H56 | 179.9° | 53.6° |
| H55 | C32 | C33 | H57 | 62.0° | 173.6° |
| C34 | C33 | H56 | H57 | 116.9° | 120.0° |
| C33 | C34 | O12 | O13 | 176.1° | 180.0° |
| C33 | C34 | O13 | H58 | 176.0° | 180.0° |
| H56 | C33 | C34 | O12 | 145.1° | 120.0° |
| H56 | C33 | C34 | O13 | 38.8° | 60.0° |
| H57 | C33 | C34 | O12 | 96.9° | 120.1° |
| H57 | C33 | C34 | O13 | 79.2° | 60.0° |
| O12 | C34 | O13 | H58 | 0.0° | 0.0° |
| C35 | N10 | H59 | C31 | 180.0° | 179.9° |
| N10 | C35 | C36 | C37 | 121.0° | 119.7° |
| N10 | C35 | C36 | H60 | 121.1° | 120.0° |
| N10 | C35 | C37 | H60 | 122.8° | 120.4° |
| N10 | C35 | C36 | O14 | 154.6° | 32.0° |
| N10 | C35 | C37 | C38 | 71.6° | 65.0° |
| N10 | C35 | C37 | H61 | 48.9° | 54.9° |
| N10 | C35 | C37 | H62 | 168.0° | 175.0° |
| N10 | C35 | C36 | N1 | 27.8° | 147.8° |
| H59 | N10 | C35 | C36 | 122.7° | 48.2° |
| H59 | N10 | C35 | C37 | 5.7° | 71.3° |
| H59 | N10 | C35 | H60 | 116.6° | 168.3° |
| C36 | C35 | C37 | H60 | 118.0° | 120.3° |
| C35 | C36 | O14 | N1 | 177.5° | 179.7° |
| C36 | C35 | C37 | C38 | 169.1° | 175.7° |
| C36 | C35 | C37 | H61 | 70.4° | 64.4° |
| C36 | C35 | C37 | H62 | 48.7° | 55.6° |
| C36 | C35 | N10 | C31 | 57.3° | 131.8° |
| C37 | C35 | C36 | O14 | 84.5° | 87.8° |
| C35 | C37 | C38 | H61 | 120.4° | 120.0° |
| C35 | C37 | C38 | H62 | 120.5° | 120.0° |
| C35 | C37 | H61 | H62 | 118.7° | 120.1° |
| C35 | C37 | C38 | O15 | 8.4° | 0.1° |
| C35 | C37 | C38 | O16 | 171.0° | 180.0° |
| C37 | C35 | C36 | N1 | 93.1° | 92.5° |
| C37 | C35 | N10 | C31 | 174.3° | 108.6° |
| H60 | C35 | C36 | O14 | 33.4° | 152.0° |
| H60 | C35 | C37 | C38 | 51.2° | 55.4° |
| H60 | C35 | C37 | H61 | 171.6° | 175.3° |
| H60 | C35 | C37 | H62 | 69.2° | 64.7° |
| H60 | C35 | C36 | N1 | 149.0° | 27.7° |
| H60 | C35 | N10 | C31 | 63.4° | 11.8° |
| C38 | C37 | H61 | H62 | 118.6° | 120.0° |
| C37 | C38 | O15 | O16 | 179.5° | 179.9° |
| C37 | C38 | O16 | H63 | 179.5° | 180.0° |
| H61 | C37 | C38 | O15 | 128.9° | 120.1° |
| H61 | C37 | C38 | O16 | 50.6° | 60.0° |
| H62 | C37 | C38 | O15 | 112.0° | 120.0° |
| H62 | C37 | C38 | O16 | 68.5° | 59.9° |
| O15 | C38 | O16 | H63 | 0.0° | 0.0° |
