PRD_000818
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C1 | sing | 1.48Å | 1.49Å | |
| N1 | H1 | sing | 0.98Å | 1.00Å | |
| C1 | C2 | sing | 1.51Å | 1.54Å | |
| C1 | C3 | sing | 1.53Å | 1.59Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C2 | O1 | doub | 1.21Å | 1.27Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C3 | H4 | sing | 1.09Å | 1.10Å | |
| C3 | H5 | sing | 1.09Å | 1.10Å | |
| N2 | C4 | sing | 1.48Å | 1.50Å | |
| N2 | H6 | sing | 0.97Å | 1.00Å | |
| C4 | C5 | sing | 1.51Å | 1.52Å | |
| C4 | C6 | sing | 1.53Å | 1.54Å | |
| C4 | H7 | sing | 1.09Å | 1.10Å | |
| C5 | O2 | doub | 1.21Å | 1.25Å | |
| C6 | C7 | sing | 1.53Å | 1.54Å | |
| C6 | H8 | sing | 1.09Å | 1.10Å | |
| C6 | H9 | sing | 1.09Å | 1.10Å | |
| C7 | C8 | sing | 1.53Å | 1.51Å | |
| C7 | C9 | sing | 1.53Å | 1.57Å | |
| 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 | 1.49Å | |
| N3 | H17 | sing | 0.97Å | 1.00Å | |
| C10 | C11 | sing | 1.51Å | 1.49Å | |
| C10 | C12 | sing | 1.53Å | 1.54Å | |
| C10 | H18 | sing | 1.09Å | 1.10Å | |
| C11 | O3 | doub | 1.21Å | 1.23Å | |
| C12 | C13 | sing | 1.53Å | 1.52Å | |
| 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 | 1.53Å | |
| 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 | 1.53Å | |
| C16 | C18 | sing | 1.53Å | 1.57Å | |
| C16 | H31 | sing | 1.09Å | 1.10Å | |
| C17 | O4 | doub | 1.21Å | 1.28Å | |
| C18 | C19 | sing | 1.53Å | 1.53Å | |
| C18 | C20 | sing | 1.53Å | 1.49Å | |
| C18 | H32 | sing | 1.09Å | 1.10Å | |
| C19 | C21 | sing | 1.53Å | 1.52Å | |
| 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 | 0.98Å | 1.00Å | |
| C22 | C23 | sing | 1.51Å | 1.49Å | |
| C22 | C24 | sing | 1.53Å | 1.56Å | |
| C22 | H42 | sing | 1.09Å | 1.10Å | |
| C23 | O5 | doub | 1.21Å | 1.25Å | |
| C24 | C25 | sing | 1.51Å | 1.55Å | |
| C24 | H43 | sing | 1.09Å | 1.10Å | |
| C24 | H44 | sing | 1.09Å | 1.10Å | |
| C25 | O6 | doub | 1.21Å | 1.28Å | |
| C25 | O7 | sing | 1.34Å | 1.24Å | |
| O7 | 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 | 1.52Å | |
| C26 | C28 | sing | 1.53Å | 1.53Å | |
| C26 | H47 | sing | 1.09Å | 1.10Å | |
| C27 | O8 | doub | 1.21Å | 1.26Å | |
| C28 | C29 | sing | 1.51Å | 1.54Å | |
| C28 | H48 | sing | 1.09Å | 1.10Å | |
| C28 | H49 | sing | 1.09Å | 1.10Å | |
| C29 | O9 | doub | 1.21Å | 1.22Å | |
| 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 | 1.48Å | |
| N9 | H52 | sing | 0.97Å | 1.00Å | |
| C30 | C31 | sing | 1.51Å | 1.54Å | |
| C30 | C32 | sing | 1.53Å | 1.54Å | |
| C30 | H53 | sing | 1.09Å | 1.10Å | |
| C31 | O10 | doub | 1.21Å | 1.24Å | |
| C32 | C33 | sing | 1.53Å | 1.56Å | |
| C32 | H54 | sing | 1.09Å | 1.10Å | |
| C32 | H55 | sing | 1.09Å | 1.10Å | |
| C33 | C34 | sing | 1.53Å | 1.54Å | |
| C33 | C35 | sing | 1.53Å | 1.55Å | |
| C33 | H56 | sing | 1.09Å | 1.10Å | |
| C34 | H57 | sing | 1.09Å | 1.10Å | |
| C34 | H58 | sing | 1.09Å | 1.10Å | |
| C34 | H59 | sing | 1.09Å | 1.10Å | |
| C35 | H60 | sing | 1.09Å | 1.10Å | |
| C35 | H61 | sing | 1.09Å | 1.10Å | |
| C35 | H62 | sing | 1.09Å | 1.10Å | |
| N10 | C36 | sing | 1.48Å | 1.49Å | |
| N10 | H63 | sing | 0.97Å | 1.00Å | |
| C36 | C37 | sing | 1.51Å | 1.54Å | |
| C36 | C38 | sing | 1.53Å | 1.53Å | |
| C36 | H64 | sing | 1.09Å | 1.10Å | |
| C37 | O11 | doub | 1.21Å | 1.26Å | |
| C38 | C39 | sing | 1.51Å | 1.54Å | |
| C38 | H65 | sing | 1.09Å | 1.10Å | |
| C38 | H66 | sing | 1.09Å | 1.10Å | |
| C39 | O12 | doub | 1.21Å | 1.26Å | |
| C39 | O13 | sing | 1.34Å | 1.27Å | |
| O13 | H67 | sing | 0.97Å | 0.95Å | |
| N1 | C37 | sing | 1.36Å | 1.34Å | |
| C2 | N2 | sing | 1.36Å | 1.34Å | |
| C5 | N3 | sing | 1.36Å | 1.33Å | |
| C11 | N5 | sing | 1.36Å | 1.33Å | |
| C17 | N6 | sing | 1.36Å | 1.35Å | |
| C23 | N7 | sing | 1.36Å | 1.33Å | |
| C27 | N9 | sing | 1.36Å | 1.32Å | |
| C31 | N10 | sing | 1.36Å | 1.32Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | N1 | H1 | 117.6° | 121.5° |
| N1 | C1 | C2 | 114.9° | 108.1° |
| N1 | C1 | C3 | 109.5° | 109.5° |
| N1 | C1 | H2 | 108.0° | 110.7° |
| C1 | N1 | C37 | 124.7° | 116.7° |
| H1 | N1 | C37 | 117.6° | 121.8° |
| C2 | C1 | C3 | 110.0° | 109.1° |
| C2 | C1 | H2 | 107.4° | 109.5° |
| C1 | C2 | O1 | 120.3° | 120.3° |
| C1 | C2 | N2 | 117.9° | 118.4° |
| C3 | C1 | H2 | 106.8° | 110.0° |
| C1 | C3 | H3 | 109.5° | 109.5° |
| C1 | C3 | H4 | 109.4° | 109.5° |
| C1 | C3 | H5 | 109.5° | 109.5° |
| O1 | C2 | N2 | 121.8° | 121.3° |
| H3 | C3 | H4 | 109.5° | 109.4° |
| H3 | C3 | H5 | 109.5° | 109.5° |
| H4 | C3 | H5 | 109.5° | 109.4° |
| C4 | N2 | H6 | 117.5° | 121.3° |
| N2 | C4 | C5 | 115.2° | 108.4° |
| N2 | C4 | C6 | 112.8° | 109.3° |
| N2 | C4 | H7 | 106.8° | 109.7° |
| C4 | N2 | C2 | 125.0° | 117.2° |
| H6 | N2 | C2 | 117.5° | 121.5° |
| C5 | C4 | C6 | 108.3° | 109.5° |
| C5 | C4 | H7 | 106.6° | 109.7° |
| C4 | C5 | O2 | 121.3° | 120.0° |
| C4 | C5 | N3 | 115.8° | 118.9° |
| C6 | C4 | H7 | 106.5° | 110.2° |
| C4 | C6 | C7 | 116.2° | 109.5° |
| C4 | C6 | H8 | 107.8° | 109.5° |
| C4 | C6 | H9 | 107.8° | 109.5° |
| O2 | C5 | N3 | 122.9° | 121.1° |
| C7 | C6 | H8 | 107.7° | 109.4° |
| C7 | C6 | H9 | 107.8° | 109.5° |
| C6 | C7 | C8 | 111.9° | 109.5° |
| C6 | C7 | C9 | 111.7° | 109.4° |
| C6 | C7 | H10 | 107.6° | 109.5° |
| H8 | C6 | H9 | 109.5° | 109.5° |
| C8 | C7 | C9 | 110.2° | 109.5° |
| C8 | C7 | H10 | 108.0° | 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 | 107.2° | 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° | 109.5° |
| H11 | C8 | H13 | 109.5° | 109.4° |
| H12 | C8 | H13 | 109.5° | 109.5° |
| H14 | C9 | H15 | 109.4° | 109.5° |
| H14 | C9 | H16 | 109.5° | 109.5° |
| H15 | C9 | H16 | 109.5° | 109.4° |
| C10 | N3 | H17 | 119.3° | 121.6° |
| N3 | C10 | C11 | 105.4° | 108.0° |
| N3 | C10 | C12 | 110.7° | 109.3° |
| N3 | C10 | H18 | 111.4° | 110.4° |
| C10 | N3 | C5 | 121.4° | 116.1° |
| H17 | N3 | C5 | 119.3° | 122.3° |
| C11 | C10 | C12 | 107.0° | 109.2° |
| C11 | C10 | H18 | 111.4° | 109.9° |
| C10 | C11 | O3 | 119.1° | 119.9° |
| C10 | C11 | N5 | 117.5° | 119.1° |
| C12 | C10 | H18 | 110.7° | 109.9° |
| C10 | C12 | C13 | 116.9° | 109.5° |
| C10 | C12 | H19 | 107.6° | 109.5° |
| C10 | C12 | H20 | 107.6° | 109.4° |
| O3 | C11 | N5 | 123.4° | 120.9° |
| C13 | C12 | H19 | 107.6° | 109.5° |
| C13 | C12 | H20 | 107.6° | 109.5° |
| C12 | C13 | C14 | 110.5° | 109.5° |
| C12 | C13 | H21 | 109.2° | 109.5° |
| C12 | C13 | H22 | 109.2° | 109.5° |
| H19 | C12 | H20 | 109.5° | 109.5° |
| C14 | C13 | H21 | 109.2° | 109.5° |
| C14 | C13 | H22 | 109.2° | 109.4° |
| C13 | C14 | C15 | 109.1° | 109.5° |
| C13 | C14 | H23 | 109.5° | 109.5° |
| C13 | C14 | H24 | 109.6° | 109.4° |
| H21 | C13 | H22 | 109.5° | 109.5° |
| C15 | C14 | H23 | 109.6° | 109.5° |
| C15 | C14 | H24 | 109.5° | 109.5° |
| C14 | C15 | N4 | 113.9° | 109.5° |
| C14 | C15 | H25 | 108.4° | 109.5° |
| C14 | C15 | H26 | 108.3° | 109.5° |
| H23 | C14 | H24 | 109.5° | 109.5° |
| N4 | C15 | H25 | 108.4° | 109.5° |
| N4 | C15 | H26 | 108.3° | 109.4° |
| C15 | N4 | H27 | 109.5° | 109.4° |
| C15 | N4 | H28 | 109.4° | 109.5° |
| C15 | N4 | H29 | 109.5° | 109.4° |
| H25 | C15 | H26 | 109.5° | 109.5° |
| H27 | N4 | H28 | 109.5° | 109.5° |
| H27 | N4 | H29 | 109.5° | 109.4° |
| H28 | N4 | H29 | 109.5° | 109.6° |
| C16 | N5 | H30 | 119.2° | 121.5° |
| N5 | C16 | C17 | 108.4° | 108.5° |
| N5 | C16 | C18 | 110.3° | 109.6° |
| N5 | C16 | H31 | 108.8° | 109.5° |
| C16 | N5 | C11 | 121.6° | 116.7° |
| H30 | N5 | C11 | 119.2° | 121.8° |
| C17 | C16 | C18 | 113.4° | 109.7° |
| C17 | C16 | H31 | 108.1° | 109.2° |
| C16 | C17 | O4 | 121.4° | 120.2° |
| C16 | C17 | N6 | 115.3° | 118.4° |
| C18 | C16 | H31 | 107.7° | 110.3° |
| C16 | C18 | C19 | 111.5° | 109.5° |
| C16 | C18 | C20 | 111.2° | 109.5° |
| C16 | C18 | H32 | 106.5° | 109.5° |
| O4 | C17 | N6 | 123.3° | 121.4° |
| C19 | C18 | C20 | 113.1° | 109.4° |
| C19 | C18 | H32 | 106.8° | 109.5° |
| C18 | C19 | C21 | 109.8° | 109.5° |
| C18 | C19 | H33 | 109.4° | 109.5° |
| C18 | C19 | H34 | 109.4° | 109.4° |
| C20 | C18 | H32 | 107.4° | 109.5° |
| C18 | C20 | H35 | 109.5° | 109.5° |
| C18 | C20 | H36 | 109.4° | 109.5° |
| C18 | C20 | H37 | 109.5° | 109.5° |
| C21 | C19 | H33 | 109.4° | 109.5° |
| C21 | C19 | H34 | 109.4° | 109.4° |
| C19 | C21 | H38 | 109.5° | 109.4° |
| C19 | C21 | H39 | 109.4° | 109.4° |
| C19 | C21 | H40 | 109.5° | 109.5° |
| H33 | C19 | H34 | 109.5° | 109.4° |
| H35 | C20 | H36 | 109.4° | 109.5° |
| H35 | C20 | H37 | 109.5° | 109.5° |
| H36 | C20 | H37 | 109.5° | 109.4° |
| H38 | C21 | H39 | 109.5° | 109.5° |
| H38 | C21 | H40 | 109.4° | 109.5° |
| H39 | C21 | H40 | 109.5° | 109.5° |
| C22 | N6 | H41 | 119.6° | 121.7° |
| N6 | C22 | C23 | 111.3° | 108.1° |
| N6 | C22 | C24 | 116.3° | 109.4° |
| N6 | C22 | H42 | 107.6° | 110.5° |
| C22 | N6 | C17 | 120.7° | 116.3° |
| H41 | N6 | C17 | 119.6° | 122.1° |
| C23 | C22 | C24 | 107.5° | 109.2° |
| C23 | C22 | H42 | 107.3° | 109.7° |
| C22 | C23 | O5 | 118.4° | 120.1° |
| C22 | C23 | N7 | 116.5° | 118.8° |
| C24 | C22 | H42 | 106.5° | 110.0° |
| C22 | C24 | C25 | 113.3° | 109.5° |
| C22 | C24 | H43 | 108.5° | 109.4° |
| C22 | C24 | H44 | 108.5° | 109.4° |
| O5 | C23 | N7 | 124.9° | 121.1° |
| C25 | C24 | H43 | 108.5° | 109.5° |
| C25 | C24 | H44 | 108.5° | 109.5° |
| C24 | C25 | O6 | 120.8° | 120.0° |
| C24 | C25 | O7 | 118.0° | 120.0° |
| H43 | C24 | H44 | 109.5° | 109.5° |
| O6 | C25 | O7 | 121.2° | 120.0° |
| C25 | O7 | H45 | 109.5° | 117.0° |
| C26 | N7 | H46 | 119.6° | 121.4° |
| N7 | C26 | C27 | 106.2° | 108.5° |
| N7 | C26 | C28 | 111.8° | 109.4° |
| N7 | C26 | H47 | 109.1° | 109.7° |
| C26 | N7 | C23 | 120.9° | 117.0° |
| H46 | N7 | C23 | 119.6° | 121.6° |
| C27 | C26 | C28 | 113.0° | 109.5° |
| C27 | C26 | H47 | 108.4° | 109.6° |
| C26 | C27 | O8 | 123.4° | 120.1° |
| C26 | C27 | N9 | 113.4° | 118.7° |
| C28 | C26 | H47 | 108.2° | 110.1° |
| C26 | C28 | C29 | 112.1° | 109.4° |
| C26 | C28 | H48 | 108.8° | 109.5° |
| C26 | C28 | H49 | 108.8° | 109.5° |
| O8 | C27 | N9 | 123.1° | 121.2° |
| C29 | C28 | H48 | 108.8° | 109.5° |
| C29 | C28 | H49 | 108.8° | 109.4° |
| C28 | C29 | O9 | 120.7° | 120.0° |
| C28 | C29 | N8 | 116.7° | 120.0° |
| H48 | C28 | H49 | 109.4° | 109.6° |
| O9 | C29 | N8 | 122.6° | 120.0° |
| C29 | N8 | H50 | 120.0° | 120.0° |
| C29 | N8 | H51 | 120.0° | 119.9° |
| H50 | N8 | H51 | 120.0° | 120.0° |
| C30 | N9 | H52 | 120.1° | 121.5° |
| N9 | C30 | C31 | 109.3° | 108.1° |
| N9 | C30 | C32 | 110.3° | 109.3° |
| N9 | C30 | H53 | 108.9° | 110.4° |
| C30 | N9 | C27 | 119.8° | 116.2° |
| H52 | N9 | C27 | 120.1° | 122.2° |
| C31 | C30 | C32 | 112.0° | 109.2° |
| C31 | C30 | H53 | 108.1° | 109.9° |
| C30 | C31 | O10 | 120.5° | 120.1° |
| C30 | C31 | N10 | 115.9° | 119.0° |
| C32 | C30 | H53 | 108.1° | 109.9° |
| C30 | C32 | C33 | 114.1° | 109.5° |
| C30 | C32 | H54 | 108.3° | 109.4° |
| C30 | C32 | H55 | 108.3° | 109.5° |
| O10 | C31 | N10 | 123.4° | 120.8° |
| C33 | C32 | H54 | 108.3° | 109.4° |
| C33 | C32 | H55 | 108.3° | 109.5° |
| C32 | C33 | C34 | 108.5° | 109.4° |
| C32 | C33 | C35 | 116.3° | 109.5° |
| C32 | C33 | H56 | 107.6° | 109.5° |
| H54 | C32 | H55 | 109.5° | 109.5° |
| C34 | C33 | C35 | 108.6° | 109.4° |
| C34 | C33 | H56 | 107.8° | 109.5° |
| C33 | C34 | H57 | 109.5° | 109.5° |
| C33 | C34 | H58 | 109.5° | 109.4° |
| C33 | C34 | H59 | 109.5° | 109.5° |
| C35 | C33 | H56 | 107.7° | 109.5° |
| C33 | C35 | H60 | 109.5° | 109.5° |
| C33 | C35 | H61 | 109.5° | 109.4° |
| C33 | C35 | H62 | 109.5° | 109.5° |
| H57 | C34 | H58 | 109.5° | 109.5° |
| H57 | C34 | H59 | 109.5° | 109.5° |
| H58 | C34 | H59 | 109.5° | 109.5° |
| H60 | C35 | H61 | 109.4° | 109.5° |
| H60 | C35 | H62 | 109.5° | 109.5° |
| H61 | C35 | H62 | 109.5° | 109.5° |
| C36 | N10 | H63 | 119.5° | 121.6° |
| N10 | C36 | C37 | 112.7° | 108.4° |
| N10 | C36 | C38 | 110.4° | 109.6° |
| N10 | C36 | H64 | 107.8° | 109.5° |
| C36 | N10 | C31 | 121.1° | 116.6° |
| H63 | N10 | C31 | 119.4° | 121.8° |
| C37 | C36 | C38 | 111.1° | 109.8° |
| C37 | C36 | H64 | 107.2° | 109.3° |
| C36 | C37 | O11 | 120.0° | 120.2° |
| C36 | C37 | N1 | 116.2° | 118.2° |
| C38 | C36 | H64 | 107.3° | 110.3° |
| C36 | C38 | C39 | 112.8° | 109.5° |
| C36 | C38 | H65 | 108.6° | 109.5° |
| C36 | C38 | H66 | 108.7° | 109.4° |
| O11 | C37 | N1 | 123.9° | 121.6° |
| C39 | C38 | H65 | 108.6° | 109.5° |
| C39 | C38 | H66 | 108.6° | 109.5° |
| C38 | C39 | O12 | 118.4° | 120.0° |
| C38 | C39 | O13 | 118.3° | 120.0° |
| H65 | C38 | H66 | 109.5° | 109.4° |
| O12 | C39 | O13 | 123.3° | 120.0° |
| C39 | O13 | H67 | 109.5° | 117.1° |
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 | 124.0° | 118.9° |
| N1 | C1 | C2 | H2 | 120.1° | 120.7° |
| N1 | C1 | C3 | H2 | 116.7° | 121.8° |
| N1 | C1 | C2 | O1 | 168.5° | 11.9° |
| N1 | C1 | C3 | H3 | 180.0° | 60.0° |
| N1 | C1 | C3 | H4 | 60.0° | 180.0° |
| N1 | C1 | C3 | H5 | 60.0° | 60.0° |
| C1 | N1 | C37 | C36 | 177.7° | 175.2° |
| C1 | N1 | C37 | O11 | 2.8° | 4.4° |
| N1 | C1 | C2 | N2 | 10.7° | 168.1° |
| H1 | N1 | C1 | C2 | 89.0° | 19.4° |
| H1 | N1 | C1 | C3 | 35.2° | 99.3° |
| H1 | N1 | C1 | H2 | 151.2° | 139.3° |
| H1 | N1 | C37 | C36 | 2.3° | 5.0° |
| H1 | N1 | C37 | O11 | 177.3° | 175.3° |
| C2 | C1 | C3 | H2 | 116.2° | 120.1° |
| C1 | C2 | O1 | N2 | 179.1° | 180.0° |
| C2 | C1 | C3 | H3 | 52.9° | 58.1° |
| C2 | C1 | C3 | H4 | 172.9° | 61.9° |
| C2 | C1 | C3 | H5 | 67.1° | 178.1° |
| C1 | C2 | N2 | C4 | 176.7° | 175.1° |
| C1 | C2 | N2 | H6 | 3.3° | 5.7° |
| C2 | C1 | N1 | C37 | 90.9° | 160.4° |
| C3 | C1 | C2 | O1 | 44.5° | 130.8° |
| C1 | C3 | H3 | H4 | 120.0° | 120.0° |
| C1 | C3 | H3 | H5 | 120.0° | 120.0° |
| C1 | C3 | H4 | H5 | 120.0° | 120.0° |
| C3 | C1 | N1 | C37 | 144.8° | 80.9° |
| C3 | C1 | C2 | N2 | 134.7° | 49.2° |
| H2 | C1 | C2 | O1 | 71.4° | 108.8° |
| H2 | C1 | C3 | H3 | 63.3° | 178.2° |
| H2 | C1 | C3 | H4 | 56.7° | 58.2° |
| H2 | C1 | C3 | H5 | 176.7° | 61.7° |
| H2 | C1 | N1 | C37 | 28.9° | 40.4° |
| H2 | C1 | C2 | N2 | 109.5° | 71.2° |
| O1 | C2 | N2 | C4 | 2.5° | 4.9° |
| O1 | C2 | N2 | H6 | 177.5° | 174.3° |
| H3 | C3 | H4 | H5 | 120.0° | 120.0° |
| C4 | N2 | H6 | C2 | 180.0° | 179.2° |
| N2 | C4 | C5 | C6 | 127.4° | 119.2° |
| N2 | C4 | C5 | H7 | 118.3° | 119.8° |
| N2 | C4 | C6 | H7 | 116.9° | 120.6° |
| N2 | C4 | C5 | O2 | 157.6° | 92.0° |
| N2 | C4 | C6 | C7 | 171.7° | 63.7° |
| N2 | C4 | C6 | H8 | 50.7° | 56.2° |
| N2 | C4 | C6 | H9 | 67.3° | 176.3° |
| N2 | C4 | C5 | N3 | 22.3° | 87.4° |
| H6 | N2 | C4 | C5 | 109.7° | 71.7° |
| H6 | N2 | C4 | C6 | 125.2° | 47.7° |
| H6 | N2 | C4 | H7 | 8.6° | 168.6° |
| C5 | C4 | C6 | H7 | 114.4° | 120.7° |
| C4 | C5 | O2 | N3 | 179.9° | 179.3° |
| C5 | C4 | C6 | C7 | 59.5° | 177.6° |
| C5 | C4 | C6 | H8 | 179.5° | 62.4° |
| C5 | C4 | C6 | H9 | 61.4° | 57.6° |
| C4 | C5 | N3 | C10 | 174.2° | 175.1° |
| C4 | C5 | N3 | H17 | 5.8° | 5.5° |
| C5 | C4 | N2 | C2 | 70.3° | 109.1° |
| C6 | C4 | C5 | O2 | 30.2° | 27.2° |
| C4 | C6 | C7 | H8 | 121.0° | 120.0° |
| C4 | C6 | C7 | H9 | 121.0° | 120.0° |
| C4 | C6 | H8 | H9 | 117.0° | 120.0° |
| C4 | C6 | C7 | C8 | 51.7° | 173.5° |
| C4 | C6 | C7 | C9 | 175.8° | 66.4° |
| C4 | C6 | C7 | H10 | 66.8° | 53.6° |
| C6 | C4 | N2 | C2 | 54.8° | 131.5° |
| C6 | C4 | C5 | N3 | 149.8° | 153.4° |
| H7 | C4 | C5 | O2 | 84.1° | 148.2° |
| H7 | C4 | C6 | C7 | 54.8° | 56.9° |
| H7 | C4 | C6 | H8 | 66.1° | 176.9° |
| H7 | C4 | C6 | H9 | 175.8° | 63.1° |
| H7 | C4 | N2 | C2 | 171.4° | 10.6° |
| H7 | C4 | C5 | N3 | 96.0° | 32.4° |
| O2 | C5 | N3 | C10 | 5.7° | 4.2° |
| O2 | C5 | N3 | H17 | 174.3° | 175.2° |
| C7 | C6 | H8 | H9 | 116.9° | 120.0° |
| C6 | C7 | C8 | C9 | 124.9° | 120.0° |
| C6 | C7 | C8 | H10 | 118.2° | 120.0° |
| C6 | C7 | C9 | H10 | 117.6° | 120.0° |
| C6 | C7 | C8 | H11 | 180.0° | 64.9° |
| C6 | C7 | C8 | H12 | 60.0° | 175.1° |
| 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° | 60.1° |
| H8 | C6 | C7 | C8 | 69.2° | 53.6° |
| H8 | C6 | C7 | C9 | 54.8° | 173.6° |
| H8 | C6 | C7 | H10 | 172.2° | 66.4° |
| H9 | C6 | C7 | C8 | 172.7° | 66.4° |
| H9 | C6 | C7 | C9 | 63.2° | 53.6° |
| H9 | C6 | C7 | H10 | 54.2° | 173.6° |
| C8 | C7 | C9 | H10 | 117.3° | 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 | 54.9° | 180.0° |
| C8 | C7 | C9 | H15 | 65.0° | 60.0° |
| C8 | C7 | C9 | H16 | 175.0° | 59.9° |
| C9 | C7 | C8 | H11 | 55.1° | 55.1° |
| C9 | C7 | C8 | H12 | 175.1° | 64.9° |
| C9 | C7 | C8 | H13 | 64.9° | 175.1° |
| C7 | C9 | H14 | H15 | 120.0° | 120.0° |
| C7 | C9 | H14 | H16 | 120.0° | 120.1° |
| C7 | C9 | H15 | H16 | 120.0° | 120.0° |
| H10 | C7 | C8 | H11 | 61.7° | 175.1° |
| H10 | C7 | C8 | H12 | 58.3° | 55.1° |
| H10 | C7 | C8 | H13 | 178.2° | 64.9° |
| H10 | C7 | C9 | H14 | 62.4° | 60.0° |
| H10 | C7 | C9 | H15 | 177.6° | 60.0° |
| H10 | C7 | C9 | H16 | 57.7° | 180.0° |
| H11 | C8 | H12 | H13 | 120.0° | 119.9° |
| H14 | C9 | H15 | H16 | 120.0° | 120.0° |
| C10 | N3 | H17 | C5 | 180.0° | 179.3° |
| N3 | C10 | C11 | C12 | 117.9° | 118.8° |
| N3 | C10 | C11 | H18 | 121.0° | 120.5° |
| N3 | C10 | C12 | H18 | 124.1° | 121.4° |
| N3 | C10 | C11 | O3 | 26.3° | 13.4° |
| N3 | C10 | C12 | C13 | 56.5° | 65.0° |
| N3 | C10 | C12 | H19 | 64.6° | 55.0° |
| N3 | C10 | C12 | H20 | 177.6° | 175.0° |
| N3 | C10 | C11 | N5 | 155.2° | 166.8° |
| H17 | N3 | C10 | C11 | 60.9° | 16.5° |
| H17 | N3 | C10 | C12 | 54.5° | 102.2° |
| H17 | N3 | C10 | H18 | 178.2° | 136.7° |
| C11 | C10 | C12 | H18 | 121.6° | 120.6° |
| C10 | C11 | O3 | N5 | 178.3° | 179.8° |
| C11 | C10 | C12 | C13 | 170.9° | 177.0° |
| C11 | C10 | C12 | H19 | 49.8° | 63.0° |
| C11 | C10 | C12 | H20 | 68.1° | 57.0° |
| C10 | C11 | N5 | C16 | 175.3° | 174.1° |
| C10 | C11 | N5 | H30 | 4.7° | 6.7° |
| C11 | C10 | N3 | C5 | 119.1° | 162.9° |
| C12 | C10 | C11 | O3 | 91.6° | 132.2° |
| C10 | C12 | C13 | H19 | 121.1° | 120.0° |
| C10 | C12 | C13 | H20 | 121.1° | 120.0° |
| C10 | C12 | H19 | H20 | 116.6° | 120.0° |
| C10 | C12 | C13 | C14 | 64.1° | 180.0° |
| C10 | C12 | C13 | H21 | 56.0° | 60.0° |
| C10 | C12 | C13 | H22 | 175.7° | 60.0° |
| C12 | C10 | N3 | C5 | 125.5° | 78.4° |
| C12 | C10 | C11 | N5 | 86.9° | 48.0° |
| H18 | C10 | C11 | O3 | 147.3° | 107.1° |
| H18 | C10 | C12 | C13 | 67.6° | 56.4° |
| H18 | C10 | C12 | H19 | 171.4° | 176.4° |
| H18 | C10 | C12 | H20 | 53.5° | 63.6° |
| H18 | C10 | N3 | C5 | 1.8° | 42.7° |
| H18 | C10 | C11 | N5 | 34.3° | 72.7° |
| O3 | C11 | N5 | C16 | 6.4° | 6.1° |
| O3 | C11 | N5 | H30 | 173.6° | 173.0° |
| C13 | C12 | H19 | H20 | 116.6° | 120.0° |
| C12 | C13 | C14 | H21 | 120.1° | 120.1° |
| C12 | C13 | C14 | H22 | 120.1° | 120.0° |
| C12 | C13 | H21 | H22 | 119.5° | 120.0° |
| C12 | C13 | C14 | C15 | 167.7° | 180.0° |
| C12 | C13 | C14 | H23 | 72.3° | 60.0° |
| C12 | C13 | C14 | H24 | 47.8° | 60.0° |
| H19 | C12 | C13 | C14 | 174.8° | 60.0° |
| H19 | C12 | C13 | H21 | 65.1° | 180.0° |
| H19 | C12 | C13 | H22 | 54.7° | 60.0° |
| H20 | C12 | C13 | C14 | 56.9° | 60.0° |
| H20 | C12 | C13 | H21 | 177.1° | 60.0° |
| H20 | C12 | C13 | H22 | 63.2° | 180.0° |
| C14 | C13 | H21 | H22 | 119.5° | 119.9° |
| C13 | C14 | C15 | H23 | 119.9° | 120.0° |
| C13 | C14 | C15 | H24 | 119.9° | 120.0° |
| C13 | C14 | H23 | H24 | 120.2° | 120.0° |
| C13 | C14 | C15 | N4 | 168.8° | 180.0° |
| C13 | C14 | C15 | H25 | 70.6° | 60.0° |
| C13 | C14 | C15 | H26 | 48.1° | 60.0° |
| H21 | C13 | C14 | C15 | 47.6° | 59.9° |
| H21 | C13 | C14 | H23 | 167.5° | 179.9° |
| H21 | C13 | C14 | H24 | 72.3° | 60.0° |
| H22 | C13 | C14 | C15 | 72.1° | 60.0° |
| H22 | C13 | C14 | H23 | 47.8° | 60.0° |
| H22 | C13 | C14 | H24 | 168.0° | 180.0° |
| C15 | C14 | H23 | H24 | 120.2° | 120.0° |
| C14 | C15 | N4 | H25 | 120.7° | 120.1° |
| C14 | C15 | N4 | H26 | 120.6° | 120.0° |
| C14 | C15 | H25 | H26 | 117.9° | 120.0° |
| C14 | C15 | N4 | H27 | 180.0° | 60.0° |
| C14 | C15 | N4 | H28 | 60.0° | 180.0° |
| C14 | C15 | N4 | H29 | 60.0° | 59.9° |
| H23 | C14 | C15 | N4 | 48.8° | 60.0° |
| H23 | C14 | C15 | H25 | 169.5° | 180.0° |
| H23 | C14 | C15 | H26 | 71.8° | 60.0° |
| H24 | C14 | C15 | N4 | 71.3° | 60.0° |
| H24 | C14 | C15 | H25 | 49.4° | 60.0° |
| H24 | C14 | C15 | H26 | 168.0° | 180.0° |
| N4 | C15 | H25 | H26 | 118.0° | 119.9° |
| C15 | N4 | H27 | H28 | 120.0° | 120.0° |
| C15 | N4 | H27 | H29 | 120.0° | 119.9° |
| C15 | N4 | H28 | H29 | 120.0° | 120.0° |
| H25 | C15 | N4 | H27 | 59.3° | 60.1° |
| H25 | C15 | N4 | H28 | 179.3° | 59.9° |
| H25 | C15 | N4 | H29 | 60.7° | 180.0° |
| H26 | C15 | N4 | H27 | 59.4° | 180.0° |
| H26 | C15 | N4 | H28 | 60.6° | 60.0° |
| H26 | C15 | N4 | H29 | 179.4° | 60.1° |
| H27 | N4 | H28 | H29 | 120.0° | 120.0° |
| C16 | N5 | H30 | C11 | 180.0° | 179.1° |
| N5 | C16 | C17 | C18 | 122.8° | 119.7° |
| N5 | C16 | C17 | H31 | 117.8° | 119.3° |
| N5 | C16 | C18 | H31 | 118.6° | 120.6° |
| N5 | C16 | C17 | O4 | 144.7° | 91.9° |
| N5 | C16 | C18 | C19 | 152.6° | 61.5° |
| N5 | C16 | C18 | C20 | 80.2° | 178.5° |
| N5 | C16 | C18 | H32 | 36.4° | 58.5° |
| N5 | C16 | C17 | N6 | 34.2° | 87.8° |
| H30 | N5 | C16 | C17 | 117.0° | 69.9° |
| H30 | N5 | C16 | C18 | 7.7° | 49.9° |
| H30 | N5 | C16 | H31 | 125.6° | 171.0° |
| C17 | C16 | C18 | H31 | 119.6° | 120.3° |
| C16 | C17 | O4 | N6 | 178.9° | 179.7° |
| C17 | C16 | C18 | C19 | 85.6° | 179.4° |
| C17 | C16 | C18 | C20 | 41.6° | 59.5° |
| C17 | C16 | C18 | H32 | 158.2° | 60.5° |
| C16 | C17 | N6 | C22 | 174.6° | 174.8° |
| C16 | C17 | N6 | H41 | 5.4° | 5.6° |
| C17 | C16 | N5 | C11 | 63.0° | 110.9° |
| C18 | C16 | C17 | O4 | 92.4° | 27.8° |
| C16 | C18 | C19 | C20 | 126.2° | 120.0° |
| C16 | C18 | C19 | H32 | 116.0° | 120.0° |
| C16 | C18 | C20 | H32 | 116.1° | 120.0° |
| C16 | C18 | C19 | C21 | 85.2° | 175.0° |
| C16 | C18 | C19 | H33 | 154.8° | 65.0° |
| C16 | C18 | C19 | H34 | 34.9° | 55.0° |
| C16 | C18 | C20 | H35 | 180.0° | 65.0° |
| C16 | C18 | C20 | H36 | 60.0° | 175.0° |
| C16 | C18 | C20 | H37 | 60.0° | 55.0° |
| C18 | C16 | N5 | C11 | 172.3° | 129.3° |
| C18 | C16 | C17 | N6 | 88.6° | 152.5° |
| H31 | C16 | C17 | O4 | 26.9° | 148.8° |
| H31 | C16 | C18 | C19 | 34.0° | 59.1° |
| H31 | C16 | C18 | C20 | 161.2° | 60.9° |
| H31 | C16 | C18 | H32 | 82.2° | 179.1° |
| H31 | C16 | N5 | C11 | 54.4° | 8.2° |
| H31 | C16 | C17 | N6 | 152.0° | 31.5° |
| O4 | C17 | N6 | C22 | 6.4° | 4.9° |
| O4 | C17 | N6 | H41 | 173.6° | 174.7° |
| C19 | C18 | C20 | H32 | 117.6° | 120.0° |
| C18 | C19 | C21 | H33 | 120.0° | 120.1° |
| C18 | C19 | C21 | H34 | 120.0° | 120.0° |
| C18 | C19 | H33 | H34 | 119.8° | 120.0° |
| C19 | C18 | C20 | H35 | 53.7° | 54.9° |
| C19 | C18 | C20 | H36 | 173.7° | 65.0° |
| C19 | C18 | C20 | H37 | 66.3° | 175.0° |
| 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 | 148.7° | 65.0° |
| C20 | C18 | C19 | H33 | 28.6° | 55.0° |
| C20 | C18 | C19 | H34 | 91.3° | 175.0° |
| C18 | C20 | H35 | H36 | 120.0° | 120.0° |
| C18 | C20 | H35 | H37 | 120.0° | 120.1° |
| C18 | C20 | H36 | H37 | 120.0° | 120.0° |
| H32 | C18 | C19 | C21 | 30.8° | 54.9° |
| H32 | C18 | C19 | H33 | 89.3° | 175.0° |
| H32 | C18 | C19 | H34 | 150.8° | 65.0° |
| H32 | C18 | C20 | H35 | 63.9° | 174.9° |
| H32 | C18 | C20 | H36 | 56.1° | 55.0° |
| H32 | C18 | C20 | H37 | 176.1° | 65.0° |
| C21 | C19 | H33 | H34 | 119.9° | 120.0° |
| C19 | C21 | H38 | H39 | 120.0° | 119.9° |
| C19 | C21 | H38 | H40 | 120.0° | 120.0° |
| C19 | C21 | H39 | H40 | 120.0° | 120.0° |
| H33 | C19 | C21 | H38 | 59.9° | 60.0° |
| H33 | C19 | C21 | H39 | 180.0° | 59.9° |
| H33 | C19 | C21 | H40 | 60.0° | 179.9° |
| H34 | C19 | C21 | H38 | 60.0° | 180.0° |
| H34 | C19 | C21 | H39 | 60.1° | 60.0° |
| H34 | C19 | C21 | H40 | 179.9° | 60.0° |
| H35 | C20 | H36 | H37 | 120.0° | 120.0° |
| H38 | C21 | H39 | H40 | 120.0° | 120.1° |
| C22 | N6 | H41 | C17 | 180.0° | 179.6° |
| N6 | C22 | C23 | C24 | 128.4° | 118.9° |
| N6 | C22 | C23 | H42 | 117.4° | 120.5° |
| N6 | C22 | C24 | H42 | 119.8° | 121.5° |
| N6 | C22 | C23 | O5 | 175.6° | 12.5° |
| N6 | C22 | C24 | C25 | 47.1° | 55.2° |
| N6 | C22 | C24 | H43 | 167.6° | 175.3° |
| N6 | C22 | C24 | H44 | 73.5° | 64.8° |
| N6 | C22 | C23 | N7 | 0.2° | 167.7° |
| H41 | N6 | C22 | C23 | 85.0° | 17.5° |
| H41 | N6 | C22 | C24 | 38.4° | 101.3° |
| H41 | N6 | C22 | H42 | 157.7° | 137.5° |
| C23 | C22 | C24 | H42 | 114.7° | 120.4° |
| C22 | C23 | O5 | N7 | 175.0° | 179.8° |
| C23 | C22 | C24 | C25 | 78.3° | 62.8° |
| C23 | C22 | C24 | H43 | 42.2° | 57.2° |
| C23 | C22 | C24 | H44 | 161.1° | 177.2° |
| C22 | C23 | N7 | C26 | 176.9° | 174.4° |
| C22 | C23 | N7 | H46 | 3.1° | 6.5° |
| C23 | C22 | N6 | C17 | 95.0° | 162.1° |
| C24 | C22 | C23 | O5 | 47.3° | 131.4° |
| C22 | C24 | C25 | H43 | 120.6° | 120.0° |
| C22 | C24 | C25 | H44 | 120.6° | 120.0° |
| C22 | C24 | H43 | H44 | 118.3° | 119.9° |
| C22 | C24 | C25 | O6 | 179.9° | 5.8° |
| C22 | C24 | C25 | O7 | 1.7° | 174.2° |
| C24 | C22 | N6 | C17 | 141.6° | 79.2° |
| C24 | C22 | C23 | N7 | 128.1° | 48.8° |
| H42 | C22 | C23 | O5 | 67.0° | 108.0° |
| H42 | C22 | C24 | C25 | 166.9° | 176.7° |
| H42 | C22 | C24 | H43 | 72.5° | 63.2° |
| H42 | C22 | C24 | H44 | 46.3° | 56.7° |
| H42 | C22 | N6 | C17 | 22.3° | 42.1° |
| H42 | C22 | C23 | N7 | 117.6° | 71.8° |
| O5 | C23 | N7 | C26 | 8.1° | 5.7° |
| O5 | C23 | N7 | H46 | 171.9° | 173.3° |
| C25 | C24 | H43 | H44 | 118.2° | 120.1° |
| C24 | C25 | O6 | O7 | 178.3° | 180.0° |
| C24 | C25 | O7 | H45 | 178.4° | 180.0° |
| H43 | C24 | C25 | O6 | 59.3° | 114.1° |
| H43 | C24 | C25 | O7 | 122.3° | 65.8° |
| H44 | C24 | C25 | O6 | 59.5° | 125.8° |
| H44 | C24 | C25 | O7 | 118.9° | 54.2° |
| O6 | C25 | O7 | H45 | 0.0° | 0.1° |
| C26 | N7 | H46 | C23 | 180.0° | 179.0° |
| N7 | C26 | C27 | C28 | 122.9° | 119.4° |
| N7 | C26 | C27 | H47 | 117.1° | 119.7° |
| N7 | C26 | C28 | H47 | 120.1° | 120.6° |
| N7 | C26 | C27 | O8 | 89.2° | 90.8° |
| N7 | C26 | C28 | C29 | 173.6° | 65.0° |
| N7 | C26 | C28 | H48 | 53.2° | 55.0° |
| N7 | C26 | C28 | H49 | 65.9° | 175.1° |
| N7 | C26 | C27 | N9 | 86.3° | 88.8° |
| H46 | N7 | C26 | C27 | 22.5° | 71.0° |
| H46 | N7 | C26 | C28 | 101.3° | 48.5° |
| H46 | N7 | C26 | H47 | 139.1° | 169.3° |
| C27 | C26 | C28 | H47 | 120.1° | 120.6° |
| C26 | C27 | O8 | N9 | 175.1° | 179.5° |
| C27 | C26 | C28 | C29 | 66.6° | 176.1° |
| C27 | C26 | C28 | H48 | 173.0° | 63.9° |
| C27 | C26 | C28 | H49 | 53.8° | 56.2° |
| C26 | C27 | N9 | C30 | 169.3° | 174.8° |
| C26 | C27 | N9 | H52 | 10.7° | 5.6° |
| C27 | C26 | N7 | C23 | 157.5° | 109.9° |
| C28 | C26 | C27 | O8 | 33.7° | 28.6° |
| C26 | C28 | C29 | H48 | 120.4° | 120.0° |
| C26 | C28 | C29 | H49 | 120.4° | 119.9° |
| C26 | C28 | H48 | H49 | 118.8° | 120.0° |
| C26 | C28 | C29 | O9 | 19.5° | 0.0° |
| C26 | C28 | C29 | N8 | 160.7° | 180.0° |
| C28 | C26 | N7 | C23 | 78.7° | 130.6° |
| C28 | C26 | C27 | N9 | 150.8° | 151.8° |
| H47 | C26 | C27 | O8 | 153.7° | 149.5° |
| H47 | C26 | C28 | C29 | 53.5° | 55.6° |
| H47 | C26 | C28 | H48 | 66.9° | 175.5° |
| H47 | C26 | C28 | H49 | 173.9° | 64.4° |
| H47 | C26 | N7 | C23 | 40.9° | 9.7° |
| H47 | C26 | C27 | N9 | 30.8° | 31.0° |
| O8 | C27 | N9 | C30 | 6.2° | 4.7° |
| O8 | C27 | N9 | H52 | 173.8° | 174.9° |
| C29 | C28 | H48 | H49 | 118.8° | 120.0° |
| C28 | C29 | O9 | N8 | 179.8° | 179.9° |
| C28 | C29 | N8 | H50 | 179.8° | 0.0° |
| C28 | C29 | N8 | H51 | 0.2° | 180.0° |
| H48 | C28 | C29 | O9 | 139.9° | 119.9° |
| H48 | C28 | C29 | N8 | 40.3° | 60.0° |
| H49 | C28 | C29 | O9 | 100.9° | 120.0° |
| H49 | C28 | C29 | N8 | 78.9° | 60.1° |
| O9 | C29 | N8 | H50 | 0.0° | 179.9° |
| O9 | C29 | N8 | H51 | 180.0° | 0.0° |
| C29 | N8 | H50 | H51 | 180.0° | 179.9° |
| C30 | N9 | H52 | C27 | 180.0° | 179.6° |
| N9 | C30 | C31 | C32 | 122.5° | 118.8° |
| N9 | C30 | C31 | H53 | 118.5° | 120.6° |
| N9 | C30 | C32 | H53 | 119.0° | 121.4° |
| N9 | C30 | C31 | O10 | 141.2° | 13.6° |
| N9 | C30 | C32 | C33 | 79.5° | 67.7° |
| N9 | C30 | C32 | H54 | 41.2° | 52.3° |
| N9 | C30 | C32 | H55 | 159.8° | 172.3° |
| N9 | C30 | C31 | N10 | 34.1° | 166.6° |
| H52 | N9 | C30 | C31 | 115.8° | 16.3° |
| H52 | N9 | C30 | C32 | 7.8° | 102.5° |
| H52 | N9 | C30 | H53 | 126.3° | 136.5° |
| C31 | C30 | C32 | H53 | 119.0° | 120.6° |
| C30 | C31 | O10 | N10 | 174.9° | 179.9° |
| C31 | C30 | C32 | C33 | 158.6° | 174.3° |
| C31 | C30 | C32 | H54 | 80.7° | 65.8° |
| C31 | C30 | C32 | H55 | 37.9° | 54.3° |
| C30 | C31 | N10 | C36 | 173.9° | 173.8° |
| C30 | C31 | N10 | H63 | 6.1° | 6.6° |
| C31 | C30 | N9 | C27 | 64.2° | 163.3° |
| C32 | C30 | C31 | O10 | 96.3° | 132.4° |
| C30 | C32 | C33 | H54 | 120.7° | 119.9° |
| C30 | C32 | C33 | H55 | 120.7° | 120.0° |
| C30 | C32 | H54 | H55 | 117.9° | 120.0° |
| C30 | C32 | C33 | C34 | 179.5° | 175.0° |
| C30 | C32 | C33 | C35 | 56.7° | 65.1° |
| C30 | C32 | C33 | H56 | 64.2° | 55.0° |
| C32 | C30 | N9 | C27 | 172.2° | 77.9° |
| C32 | C30 | C31 | N10 | 88.4° | 47.8° |
| H53 | C30 | C31 | O10 | 22.8° | 107.0° |
| H53 | C30 | C32 | C33 | 39.5° | 53.7° |
| H53 | C30 | C32 | H54 | 160.2° | 173.6° |
| H53 | C30 | C32 | H55 | 81.2° | 66.3° |
| H53 | C30 | N9 | C27 | 53.7° | 43.1° |
| H53 | C30 | C31 | N10 | 152.6° | 72.8° |
| O10 | C31 | N10 | C36 | 1.3° | 6.3° |
| O10 | C31 | N10 | H63 | 178.7° | 173.2° |
| C33 | C32 | H54 | H55 | 117.9° | 120.0° |
| C32 | C33 | C34 | C35 | 127.3° | 119.9° |
| C32 | C33 | C34 | H56 | 116.2° | 120.0° |
| C32 | C33 | C35 | H56 | 120.8° | 120.0° |
| C32 | C33 | C34 | H57 | 180.0° | 65.3° |
| C32 | C33 | C34 | H58 | 60.0° | 174.7° |
| C32 | C33 | C34 | H59 | 60.0° | 54.8° |
| C32 | C33 | C35 | H60 | 180.0° | 60.0° |
| C32 | C33 | C35 | H61 | 60.0° | 60.0° |
| C32 | C33 | C35 | H62 | 60.0° | 180.0° |
| H54 | C32 | C33 | C34 | 59.8° | 55.0° |
| H54 | C32 | C33 | C35 | 177.4° | 175.0° |
| H54 | C32 | C33 | H56 | 56.5° | 65.0° |
| H55 | C32 | C33 | C34 | 58.8° | 65.0° |
| H55 | C32 | C33 | C35 | 64.0° | 54.9° |
| H55 | C32 | C33 | H56 | 175.2° | 175.0° |
| C34 | C33 | C35 | H56 | 116.5° | 120.0° |
| C33 | C34 | H57 | H58 | 120.0° | 120.0° |
| C33 | C34 | H57 | H59 | 120.0° | 120.1° |
| C33 | C34 | H58 | H59 | 120.0° | 120.0° |
| C34 | C33 | C35 | H60 | 57.3° | 60.0° |
| C34 | C33 | C35 | H61 | 62.7° | 180.0° |
| C34 | C33 | C35 | H62 | 177.3° | 60.1° |
| C35 | C33 | C34 | H57 | 52.7° | 54.7° |
| C35 | C33 | C34 | H58 | 172.7° | 65.3° |
| C35 | C33 | C34 | H59 | 67.3° | 174.7° |
| C33 | C35 | H60 | H61 | 120.0° | 120.0° |
| C33 | C35 | H60 | H62 | 120.0° | 120.0° |
| C33 | C35 | H61 | H62 | 120.0° | 120.0° |
| H56 | C33 | C34 | H57 | 63.8° | 174.7° |
| H56 | C33 | C34 | H58 | 56.3° | 54.7° |
| H56 | C33 | C34 | H59 | 176.2° | 65.3° |
| H56 | C33 | C35 | H60 | 59.2° | 180.0° |
| H56 | C33 | C35 | H61 | 179.2° | 60.0° |
| H56 | C33 | C35 | H62 | 60.8° | 60.0° |
| H57 | C34 | H58 | H59 | 120.0° | 120.0° |
| H60 | C35 | H61 | H62 | 120.0° | 120.0° |
| C36 | N10 | H63 | C31 | 180.0° | 179.5° |
| N10 | C36 | C37 | C38 | 124.6° | 119.6° |
| N10 | C36 | C37 | H64 | 118.5° | 119.3° |
| N10 | C36 | C38 | H64 | 117.2° | 120.6° |
| N10 | C36 | C37 | O11 | 143.7° | 93.6° |
| N10 | C36 | C38 | C39 | 80.6° | 65.0° |
| N10 | C36 | C38 | H65 | 39.9° | 55.1° |
| N10 | C36 | C38 | H66 | 158.9° | 175.0° |
| N10 | C36 | C37 | N1 | 36.7° | 86.1° |
| H63 | N10 | C36 | C37 | 125.9° | 68.5° |
| H63 | N10 | C36 | C38 | 0.9° | 51.2° |
| H63 | N10 | C36 | H64 | 116.0° | 172.3° |
| C37 | C36 | C38 | H64 | 116.9° | 120.5° |
| C36 | C37 | O11 | N1 | 179.5° | 179.6° |
| C37 | C36 | C38 | C39 | 153.6° | 176.1° |
| C37 | C36 | C38 | H65 | 85.9° | 63.8° |
| C37 | C36 | C38 | H66 | 33.1° | 56.1° |
| C37 | C36 | N10 | C31 | 54.1° | 111.9° |
| C38 | C36 | C37 | O11 | 91.7° | 26.1° |
| C36 | C38 | C39 | H65 | 120.5° | 120.1° |
| C36 | C38 | C39 | H66 | 120.5° | 120.0° |
| C36 | C38 | H65 | H66 | 118.5° | 119.9° |
| C36 | C38 | C39 | O12 | 14.2° | 0.0° |
| C36 | C38 | C39 | O13 | 165.0° | 179.9° |
| C38 | C36 | C37 | N1 | 87.9° | 154.3° |
| C38 | C36 | N10 | C31 | 179.1° | 128.3° |
| H64 | C36 | C37 | O11 | 25.3° | 147.2° |
| H64 | C36 | C38 | C39 | 36.7° | 55.6° |
| H64 | C36 | C38 | H65 | 157.2° | 175.6° |
| H64 | C36 | C38 | H66 | 83.8° | 64.5° |
| H64 | C36 | C37 | N1 | 155.1° | 33.2° |
| H64 | C36 | N10 | C31 | 64.0° | 7.3° |
| C39 | C38 | H65 | H66 | 118.5° | 120.0° |
| C38 | C39 | O12 | O13 | 179.1° | 180.0° |
| C38 | C39 | O13 | H67 | 179.1° | 180.0° |
| H65 | C38 | C39 | O12 | 134.6° | 120.0° |
| H65 | C38 | C39 | O13 | 44.5° | 60.0° |
| H66 | C38 | C39 | O12 | 106.4° | 120.0° |
| H66 | C38 | C39 | O13 | 74.5° | 60.0° |
| O12 | C39 | O13 | H67 | 0.0° | 0.0° |
