PRD_000456
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | O1 | doub | 1.21Å | 1.22Å | |
| C1 | C2 | sing | 1.51Å | 1.51Å | |
| C2 | H1 | sing | 1.09Å | 1.10Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C2 | H3 | sing | 1.09Å | 1.10Å | |
| N1 | C3 | sing | 1.46Å | 1.45Å | |
| N1 | H4 | sing | 0.97Å | 1.00Å | |
| C3 | C4 | sing | 1.51Å | 1.50Å | |
| C3 | C5 | sing | 1.53Å | 1.55Å | |
| C3 | H5 | sing | 1.09Å | 1.10Å | |
| C4 | O2 | doub | 1.21Å | 1.22Å | |
| C5 | C6 | sing | 1.53Å | 1.52Å | |
| C5 | H6 | sing | 1.09Å | 1.10Å | |
| C5 | H7 | sing | 1.09Å | 1.10Å | |
| C6 | C7 | sing | 1.53Å | 1.52Å | |
| C6 | C11 | sing | 1.53Å | 1.52Å | |
| C6 | H8 | sing | 1.09Å | 1.10Å | |
| C7 | C8 | sing | 1.53Å | 1.52Å | |
| C7 | H9 | sing | 1.09Å | 1.10Å | |
| C7 | H10 | sing | 1.09Å | 1.10Å | |
| C8 | C9 | sing | 1.53Å | 1.56Å | |
| C8 | H11 | sing | 1.09Å | 1.10Å | |
| C8 | H12 | sing | 1.09Å | 1.10Å | |
| C9 | C10 | sing | 1.53Å | 1.52Å | |
| C9 | H13 | sing | 1.09Å | 1.10Å | |
| C9 | H14 | sing | 1.09Å | 1.10Å | |
| C10 | C11 | sing | 1.53Å | 1.54Å | |
| C10 | H15 | sing | 1.09Å | 1.10Å | |
| C10 | H16 | sing | 1.09Å | 1.10Å | |
| C11 | H17 | sing | 1.09Å | 1.10Å | |
| C11 | H18 | sing | 1.09Å | 1.10Å | |
| N2 | C12 | sing | 1.46Å | 1.42Å | |
| N2 | H19 | sing | 0.97Å | 1.00Å | |
| C12 | C13 | sing | 1.51Å | 1.53Å | |
| C12 | C14 | sing | 1.53Å | 1.51Å | |
| C12 | H20 | sing | 1.09Å | 1.10Å | |
| C13 | O3 | doub | 1.21Å | 1.24Å | |
| C14 | C15 | sing | 1.53Å | 1.51Å | |
| C14 | H21 | sing | 1.09Å | 1.10Å | |
| C14 | H22 | sing | 1.09Å | 1.10Å | |
| C15 | C16 | sing | 1.53Å | 1.50Å | |
| C15 | H23 | sing | 1.09Å | 1.10Å | |
| C15 | H24 | sing | 1.09Å | 1.10Å | |
| C16 | N3 | sing | 1.47Å | 1.45Å | |
| C16 | H25 | sing | 1.09Å | 1.10Å | |
| C16 | H26 | sing | 1.09Å | 1.10Å | |
| N3 | C17 | sing | 1.37Å | 1.32Å | |
| N3 | H27 | sing | 0.97Å | 1.00Å | |
| C17 | N4 | sing | 1.33Å | 1.33Å | |
| C17 | N5 | doub | 1.33Å | 1.32Å | |
| N4 | H28 | sing | 0.97Å | 1.00Å | |
| N4 | H29 | sing | 0.97Å | 1.00Å | |
| N5 | H30 | sing | 0.97Å | 1.00Å | |
| N5 | H31 | sing | 0.97Å | 1.00Å | |
| N6 | C18 | sing | 1.47Å | 1.44Å | |
| N6 | H32 | sing | 0.97Å | 1.00Å | |
| C18 | C19 | sing | 1.51Å | 1.50Å | |
| C18 | C20 | sing | 1.53Å | 1.50Å | |
| C18 | H33 | sing | 1.09Å | 1.10Å | |
| C19 | O4 | doub | 1.21Å | 1.24Å | |
| C20 | H34 | sing | 1.09Å | 1.10Å | |
| C20 | H35 | sing | 1.09Å | 1.10Å | |
| C20 | H36 | sing | 1.09Å | 1.10Å | |
| N7 | C21 | sing | 1.47Å | 1.44Å | |
| N7 | H37 | sing | 0.97Å | 1.00Å | |
| C21 | C22 | sing | 1.60Å | 1.53Å | |
| C21 | C25 | sing | 1.49Å | 1.53Å | |
| C21 | H38 | sing | 1.09Å | 1.10Å | |
| C22 | C23 | sing | 1.60Å | 1.50Å | |
| C22 | H39 | sing | 1.09Å | 1.10Å | |
| C22 | H40 | sing | 1.09Å | 1.10Å | |
| C23 | C24 | sing | 1.49Å | 1.54Å | |
| C23 | H41 | sing | 1.09Å | 1.10Å | |
| C23 | H42 | sing | 1.09Å | 1.10Å | |
| C24 | O5 | doub | 1.21Å | 1.25Å | |
| C24 | N8 | sing | 1.29Å | 1.35Å | |
| N8 | N9 | sing | 1.46Å | 1.45Å | |
| N8 | C29 | sing | 1.45Å | 1.47Å | |
| C25 | O6 | doub | 1.21Å | 1.25Å | |
| C25 | N9 | sing | 1.29Å | 1.33Å | |
| N9 | C26 | sing | 1.45Å | 1.46Å | |
| C26 | C27 | sing | 1.53Å | 1.54Å | |
| C26 | C30 | sing | 1.51Å | 1.52Å | |
| C26 | H43 | sing | 1.09Å | 1.10Å | |
| C27 | C28 | sing | 1.53Å | 1.51Å | |
| C27 | H44 | sing | 1.09Å | 1.10Å | |
| C27 | H45 | sing | 1.09Å | 1.10Å | |
| C28 | C29 | sing | 1.53Å | 1.52Å | |
| C28 | H46 | sing | 1.09Å | 1.10Å | |
| C28 | H47 | sing | 1.09Å | 1.10Å | |
| C29 | H48 | sing | 1.09Å | 1.10Å | |
| C29 | H49 | sing | 1.09Å | 1.10Å | |
| C30 | O7 | doub | 1.21Å | 1.22Å | |
| N10 | C31 | sing | 1.47Å | 1.45Å | |
| N10 | H50 | sing | 0.97Å | 1.00Å | |
| C31 | C32 | sing | 1.51Å | 1.51Å | |
| C31 | C33 | sing | 1.53Å | 1.54Å | |
| C31 | H51 | sing | 1.09Å | 1.10Å | |
| C32 | O8 | doub | 1.21Å | 1.24Å | |
| C33 | O9 | sing | 1.43Å | 1.39Å | |
| C33 | H52 | sing | 1.09Å | 1.10Å | |
| C33 | H53 | sing | 1.09Å | 1.10Å | |
| O9 | H54 | sing | 0.97Å | 0.95Å | |
| N11 | C34 | sing | 1.47Å | 1.44Å | |
| N11 | H55 | sing | 0.97Å | 1.00Å | |
| C34 | C35 | sing | 1.51Å | 1.51Å | |
| C34 | C36 | sing | 1.53Å | 1.51Å | |
| C34 | H56 | sing | 1.09Å | 1.10Å | |
| C35 | O10 | doub | 1.21Å | 1.21Å | |
| C36 | C37 | sing | 1.53Å | 1.52Å | |
| C36 | H57 | sing | 1.09Å | 1.10Å | |
| C36 | H58 | sing | 1.09Å | 1.10Å | |
| C37 | C38 | sing | 1.53Å | 1.51Å | |
| C37 | C39 | sing | 1.53Å | 1.51Å | |
| C37 | H59 | sing | 1.09Å | 1.10Å | |
| C38 | H60 | sing | 1.09Å | 1.10Å | |
| C38 | H61 | sing | 1.09Å | 1.10Å | |
| C38 | H62 | sing | 1.09Å | 1.10Å | |
| C39 | H63 | sing | 1.09Å | 1.10Å | |
| C39 | H64 | sing | 1.09Å | 1.10Å | |
| C39 | H65 | sing | 1.09Å | 1.10Å | |
| N12 | H66 | sing | 0.97Å | 1.00Å | |
| N12 | H67 | sing | 0.97Å | 1.00Å | |
| C1 | N1 | sing | 1.35Å | 1.34Å | |
| C4 | N2 | sing | 1.35Å | 1.31Å | |
| C19 | N7 | sing | 1.35Å | 1.32Å | |
| C30 | N10 | sing | 1.35Å | 1.33Å | |
| C35 | N12 | sing | 1.35Å | 1.33Å | |
| C13 | N6 | sing | 1.35Å | 1.33Å | |
| C32 | N11 | sing | 1.35Å | 1.32Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C1 | C2 | 120.6° | 120.0° |
| O1 | C1 | N1 | 123.2° | 120.0° |
| C1 | C2 | H1 | 109.5° | 109.5° |
| C1 | C2 | H2 | 109.4° | 109.4° |
| C1 | C2 | H3 | 109.5° | 109.5° |
| C2 | C1 | N1 | 116.1° | 120.0° |
| H1 | C2 | H2 | 109.5° | 109.5° |
| H1 | C2 | H3 | 109.5° | 109.5° |
| H2 | C2 | H3 | 109.5° | 109.4° |
| C3 | N1 | H4 | 118.7° | 120.0° |
| N1 | C3 | C4 | 106.0° | 109.5° |
| N1 | C3 | C5 | 112.9° | 109.5° |
| N1 | C3 | H5 | 110.0° | 109.5° |
| C3 | N1 | C1 | 122.6° | 120.0° |
| H4 | N1 | C1 | 118.7° | 120.0° |
| C4 | C3 | C5 | 109.7° | 109.5° |
| C4 | C3 | H5 | 109.4° | 109.5° |
| C3 | C4 | O2 | 122.0° | 120.0° |
| C3 | C4 | N2 | 113.8° | 120.0° |
| C5 | C3 | H5 | 108.7° | 109.4° |
| C3 | C5 | C6 | 115.6° | 109.5° |
| C3 | C5 | H6 | 107.9° | 109.5° |
| C3 | C5 | H7 | 107.9° | 109.5° |
| O2 | C4 | N2 | 124.2° | 120.0° |
| C6 | C5 | H6 | 107.9° | 109.5° |
| C6 | C5 | H7 | 107.9° | 109.5° |
| C5 | C6 | C7 | 112.1° | 109.5° |
| C5 | C6 | C11 | 111.4° | 109.5° |
| C5 | C6 | H8 | 108.2° | 109.5° |
| H6 | C5 | H7 | 109.5° | 109.4° |
| C7 | C6 | C11 | 108.6° | 109.4° |
| C7 | C6 | H8 | 108.2° | 109.4° |
| C6 | C7 | C8 | 110.9° | 109.5° |
| C6 | C7 | H9 | 109.1° | 109.4° |
| C6 | C7 | H10 | 109.1° | 109.5° |
| C11 | C6 | H8 | 108.3° | 109.5° |
| C6 | C11 | C10 | 111.9° | 109.5° |
| C6 | C11 | H17 | 108.8° | 109.5° |
| C6 | C11 | H18 | 108.8° | 109.5° |
| C8 | C7 | H9 | 109.1° | 109.5° |
| C8 | C7 | H10 | 109.1° | 109.5° |
| C7 | C8 | C9 | 111.8° | 109.5° |
| C7 | C8 | H11 | 108.9° | 109.5° |
| C7 | C8 | H12 | 108.9° | 109.5° |
| H9 | C7 | H10 | 109.4° | 109.5° |
| C9 | C8 | H11 | 108.9° | 109.5° |
| C9 | C8 | H12 | 108.9° | 109.5° |
| C8 | C9 | C10 | 113.1° | 109.5° |
| C8 | C9 | H13 | 108.5° | 109.5° |
| C8 | C9 | H14 | 108.6° | 109.5° |
| H11 | C8 | H12 | 109.5° | 109.4° |
| C10 | C9 | H13 | 108.6° | 109.5° |
| C10 | C9 | H14 | 108.6° | 109.4° |
| C9 | C10 | C11 | 111.6° | 109.5° |
| C9 | C10 | H15 | 108.9° | 109.5° |
| C9 | C10 | H16 | 108.9° | 109.5° |
| H13 | C9 | H14 | 109.4° | 109.5° |
| C11 | C10 | H15 | 108.9° | 109.5° |
| C11 | C10 | H16 | 108.9° | 109.4° |
| C10 | C11 | H17 | 108.9° | 109.4° |
| C10 | C11 | H18 | 108.8° | 109.5° |
| H15 | C10 | H16 | 109.5° | 109.4° |
| H17 | C11 | H18 | 109.5° | 109.5° |
| C12 | N2 | H19 | 118.0° | 120.0° |
| N2 | C12 | C13 | 109.6° | 109.4° |
| N2 | C12 | C14 | 109.5° | 109.5° |
| N2 | C12 | H20 | 110.5° | 109.5° |
| C12 | N2 | C4 | 123.9° | 120.0° |
| H19 | N2 | C4 | 118.1° | 120.0° |
| C13 | C12 | C14 | 109.2° | 109.5° |
| C13 | C12 | H20 | 108.9° | 109.4° |
| C12 | C13 | O3 | 121.6° | 120.0° |
| C12 | C13 | N6 | 113.6° | 119.9° |
| C14 | C12 | H20 | 109.1° | 109.5° |
| C12 | C14 | C15 | 113.0° | 109.5° |
| C12 | C14 | H21 | 108.6° | 109.4° |
| C12 | C14 | H22 | 108.6° | 109.5° |
| O3 | C13 | N6 | 124.8° | 120.1° |
| C15 | C14 | H21 | 108.6° | 109.5° |
| C15 | C14 | H22 | 108.6° | 109.5° |
| C14 | C15 | C16 | 108.7° | 109.5° |
| C14 | C15 | H23 | 109.7° | 109.5° |
| C14 | C15 | H24 | 109.6° | 109.4° |
| H21 | C14 | H22 | 109.5° | 109.5° |
| C16 | C15 | H23 | 109.6° | 109.5° |
| C16 | C15 | H24 | 109.6° | 109.5° |
| C15 | C16 | N3 | 112.6° | 109.5° |
| C15 | C16 | H25 | 108.7° | 109.5° |
| C15 | C16 | H26 | 108.7° | 109.4° |
| H23 | C15 | H24 | 109.5° | 109.4° |
| N3 | C16 | H25 | 108.7° | 109.5° |
| N3 | C16 | H26 | 108.7° | 109.5° |
| C16 | N3 | C17 | 123.8° | 119.9° |
| C16 | N3 | H27 | 118.1° | 120.0° |
| H25 | C16 | H26 | 109.5° | 109.5° |
| C17 | N3 | H27 | 118.1° | 120.0° |
| N3 | C17 | N4 | 121.1° | 120.0° |
| N3 | C17 | N5 | 118.8° | 120.0° |
| N4 | C17 | N5 | 120.0° | 120.0° |
| C17 | N4 | H28 | 120.0° | 120.0° |
| C17 | N4 | H29 | 120.0° | 120.0° |
| C17 | N5 | H30 | 120.0° | 120.0° |
| C17 | N5 | H31 | 120.0° | 120.1° |
| H28 | N4 | H29 | 120.0° | 120.0° |
| H30 | N5 | H31 | 120.0° | 120.0° |
| C18 | N6 | H32 | 118.3° | 120.0° |
| N6 | C18 | C19 | 106.9° | 109.4° |
| N6 | C18 | C20 | 109.6° | 109.5° |
| N6 | C18 | H33 | 111.1° | 109.4° |
| C18 | N6 | C13 | 123.5° | 120.0° |
| H32 | N6 | C13 | 118.2° | 120.0° |
| C19 | C18 | C20 | 108.8° | 109.5° |
| C19 | C18 | H33 | 110.2° | 109.5° |
| C18 | C19 | O4 | 121.0° | 120.0° |
| C18 | C19 | N7 | 116.0° | 120.0° |
| C20 | C18 | H33 | 110.2° | 109.5° |
| C18 | C20 | H34 | 109.5° | 109.4° |
| C18 | C20 | H35 | 109.5° | 109.5° |
| C18 | C20 | H36 | 109.5° | 109.4° |
| O4 | C19 | N7 | 122.9° | 120.0° |
| H34 | C20 | H35 | 109.4° | 109.5° |
| H34 | C20 | H36 | 109.5° | 109.5° |
| H35 | C20 | H36 | 109.5° | 109.5° |
| C21 | N7 | H37 | 120.3° | 120.0° |
| N7 | C21 | C22 | 112.9° | 109.8° |
| N7 | C21 | C25 | 103.5° | 109.8° |
| N7 | C21 | H38 | 110.4° | 109.8° |
| C21 | N7 | C19 | 119.3° | 120.0° |
| H37 | N7 | C19 | 120.4° | 120.1° |
| C22 | C21 | C25 | 111.5° | 107.8° |
| C22 | C21 | H38 | 109.2° | 109.8° |
| C21 | C22 | C23 | 112.6° | 94.6° |
| C21 | C22 | H39 | 108.7° | 112.3° |
| C21 | C22 | H40 | 108.7° | 112.3° |
| C25 | C21 | H38 | 109.1° | 109.9° |
| C21 | C25 | O6 | 121.9° | 117.7° |
| C21 | C25 | N9 | 116.6° | 124.7° |
| C23 | C22 | H39 | 108.7° | 112.3° |
| C23 | C22 | H40 | 108.7° | 112.3° |
| C22 | C23 | C24 | 113.5° | 108.2° |
| C22 | C23 | H41 | 108.5° | 109.7° |
| C22 | C23 | H42 | 108.5° | 109.7° |
| H39 | C22 | H40 | 109.5° | 111.9° |
| C24 | C23 | H41 | 108.5° | 109.7° |
| C24 | C23 | H42 | 108.5° | 109.7° |
| C23 | C24 | O5 | 118.6° | 118.3° |
| C23 | C24 | N8 | 118.2° | 123.4° |
| H41 | C23 | H42 | 109.5° | 109.8° |
| O5 | C24 | N8 | 123.1° | 118.3° |
| C24 | N8 | N9 | 122.9° | 112.3° |
| C24 | N8 | C29 | 123.2° | 129.4° |
| N9 | N8 | C29 | 113.8° | 118.3° |
| N8 | N9 | C25 | 123.1° | 112.8° |
| N8 | N9 | C26 | 117.9° | 118.1° |
| N8 | C29 | C28 | 109.9° | 109.8° |
| N8 | C29 | H48 | 109.4° | 109.4° |
| N8 | C29 | H49 | 109.4° | 109.4° |
| O6 | C25 | N9 | 121.5° | 117.7° |
| C25 | N9 | C26 | 119.0° | 129.1° |
| N9 | C26 | C27 | 110.8° | 109.8° |
| N9 | C26 | C30 | 113.4° | 109.4° |
| N9 | C26 | H43 | 107.3° | 109.5° |
| C27 | C26 | C30 | 111.9° | 109.4° |
| C27 | C26 | H43 | 106.4° | 109.4° |
| C26 | C27 | C28 | 115.0° | 109.1° |
| C26 | C27 | H44 | 108.1° | 109.5° |
| C26 | C27 | H45 | 108.1° | 109.6° |
| C30 | C26 | H43 | 106.6° | 109.4° |
| C26 | C30 | O7 | 120.6° | 120.0° |
| C26 | C30 | N10 | 116.7° | 120.0° |
| C28 | C27 | H44 | 108.1° | 109.5° |
| C28 | C27 | H45 | 108.1° | 109.5° |
| C27 | C28 | C29 | 110.0° | 109.1° |
| C27 | C28 | H46 | 109.3° | 109.5° |
| C27 | C28 | H47 | 109.4° | 109.5° |
| H44 | C27 | H45 | 109.5° | 109.6° |
| C29 | C28 | H46 | 109.3° | 109.5° |
| C29 | C28 | H47 | 109.3° | 109.5° |
| C28 | C29 | H48 | 109.4° | 109.4° |
| C28 | C29 | H49 | 109.3° | 109.4° |
| H46 | C28 | H47 | 109.5° | 109.6° |
| H48 | C29 | H49 | 109.5° | 109.4° |
| O7 | C30 | N10 | 122.1° | 120.1° |
| C31 | N10 | H50 | 119.4° | 120.0° |
| N10 | C31 | C32 | 103.7° | 109.5° |
| N10 | C31 | C33 | 113.3° | 109.5° |
| N10 | C31 | H51 | 110.5° | 109.4° |
| C31 | N10 | C30 | 121.2° | 120.0° |
| H50 | N10 | C30 | 119.4° | 120.0° |
| C32 | C31 | C33 | 110.1° | 109.5° |
| C32 | C31 | H51 | 109.7° | 109.5° |
| C31 | C32 | O8 | 122.2° | 119.9° |
| C31 | C32 | N11 | 114.1° | 120.0° |
| C33 | C31 | H51 | 109.3° | 109.5° |
| C31 | C33 | O9 | 111.2° | 109.5° |
| C31 | C33 | H52 | 109.0° | 109.5° |
| C31 | C33 | H53 | 109.0° | 109.5° |
| O8 | C32 | N11 | 123.5° | 120.1° |
| O9 | C33 | H52 | 109.0° | 109.4° |
| O9 | C33 | H53 | 109.1° | 109.5° |
| C33 | O9 | H54 | 109.5° | 114.0° |
| H52 | C33 | H53 | 109.5° | 109.5° |
| C34 | N11 | H55 | 119.2° | 120.0° |
| N11 | C34 | C35 | 106.7° | 109.4° |
| N11 | C34 | C36 | 108.6° | 109.5° |
| N11 | C34 | H56 | 111.0° | 109.5° |
| C34 | N11 | C32 | 121.6° | 120.0° |
| H55 | N11 | C32 | 119.2° | 120.0° |
| C35 | C34 | C36 | 110.8° | 109.5° |
| C35 | C34 | H56 | 109.9° | 109.5° |
| C34 | C35 | O10 | 119.3° | 120.0° |
| C34 | C35 | N12 | 117.0° | 120.0° |
| C36 | C34 | H56 | 109.8° | 109.5° |
| C34 | C36 | C37 | 110.8° | 109.5° |
| C34 | C36 | H57 | 109.2° | 109.5° |
| C34 | C36 | H58 | 109.1° | 109.4° |
| O10 | C35 | N12 | 122.7° | 120.0° |
| C37 | C36 | H57 | 109.1° | 109.5° |
| C37 | C36 | H58 | 109.2° | 109.5° |
| C36 | C37 | C38 | 107.9° | 109.5° |
| C36 | C37 | C39 | 109.8° | 109.4° |
| C36 | C37 | H59 | 109.6° | 109.5° |
| H57 | C36 | H58 | 109.5° | 109.4° |
| C38 | C37 | C39 | 110.3° | 109.5° |
| C38 | C37 | H59 | 109.6° | 109.5° |
| C37 | C38 | H60 | 109.5° | 109.5° |
| C37 | C38 | H61 | 109.5° | 109.5° |
| C37 | C38 | H62 | 109.5° | 109.4° |
| C39 | C37 | H59 | 109.6° | 109.5° |
| C37 | C39 | H63 | 109.5° | 109.5° |
| C37 | C39 | H64 | 109.5° | 109.5° |
| C37 | C39 | H65 | 109.5° | 109.5° |
| H60 | C38 | H61 | 109.5° | 109.5° |
| H60 | C38 | H62 | 109.4° | 109.5° |
| H61 | C38 | H62 | 109.5° | 109.4° |
| H63 | C39 | H64 | 109.4° | 109.5° |
| H63 | C39 | H65 | 109.5° | 109.5° |
| H64 | C39 | H65 | 109.4° | 109.4° |
| H66 | N12 | H67 | 120.0° | 120.0° |
| H66 | N12 | C35 | 120.0° | 120.0° |
| H67 | N12 | C35 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C1 | C2 | N1 | 176.5° | 179.7° |
| O1 | C1 | C2 | H1 | 0.0° | 90.0° |
| O1 | C1 | C2 | H2 | 120.0° | 150.0° |
| O1 | C1 | C2 | H3 | 120.0° | 30.0° |
| O1 | C1 | N1 | C3 | 5.0° | 0.0° |
| O1 | C1 | N1 | H4 | 175.0° | 180.0° |
| C1 | C2 | H1 | H2 | 120.0° | 120.0° |
| C1 | C2 | H1 | H3 | 120.0° | 120.1° |
| C1 | C2 | H2 | H3 | 120.0° | 120.0° |
| C2 | C1 | N1 | C3 | 178.7° | 179.7° |
| C2 | C1 | N1 | H4 | 1.3° | 0.3° |
| H1 | C2 | H2 | H3 | 120.0° | 120.0° |
| H1 | C2 | C1 | N1 | 176.4° | 89.7° |
| H2 | C2 | C1 | N1 | 63.5° | 30.3° |
| H3 | C2 | C1 | N1 | 56.4° | 150.3° |
| C3 | N1 | H4 | C1 | 180.0° | 180.0° |
| N1 | C3 | C4 | C5 | 122.2° | 120.0° |
| N1 | C3 | C4 | H5 | 118.6° | 120.0° |
| N1 | C3 | C5 | H5 | 122.4° | 120.0° |
| N1 | C3 | C4 | O2 | 37.8° | 20.0° |
| N1 | C3 | C5 | C6 | 75.0° | 65.0° |
| N1 | C3 | C5 | H6 | 45.8° | 55.0° |
| N1 | C3 | C5 | H7 | 164.1° | 175.0° |
| N1 | C3 | C4 | N2 | 141.3° | 160.0° |
| H4 | N1 | C3 | C4 | 110.6° | 120.0° |
| H4 | N1 | C3 | C5 | 9.4° | 120.0° |
| H4 | N1 | C3 | H5 | 131.1° | 0.0° |
| C4 | C3 | C5 | H5 | 119.6° | 120.0° |
| C3 | C4 | O2 | N2 | 179.0° | 180.0° |
| C4 | C3 | C5 | C6 | 167.0° | 175.0° |
| C4 | C3 | C5 | H6 | 72.1° | 65.0° |
| C4 | C3 | C5 | H7 | 46.1° | 55.0° |
| C3 | C4 | N2 | C12 | 179.8° | 180.0° |
| C3 | C4 | N2 | H19 | 0.2° | 0.1° |
| C4 | C3 | N1 | C1 | 69.4° | 60.0° |
| C5 | C3 | C4 | O2 | 84.3° | 100.0° |
| C3 | C5 | C6 | H6 | 120.9° | 120.0° |
| C3 | C5 | C6 | H7 | 120.9° | 120.0° |
| C3 | C5 | H6 | H7 | 117.2° | 120.0° |
| C3 | C5 | C6 | C7 | 163.6° | 175.0° |
| C3 | C5 | C6 | C11 | 74.6° | 65.0° |
| C3 | C5 | C6 | H8 | 44.3° | 55.0° |
| C5 | C3 | N1 | C1 | 170.6° | 60.0° |
| C5 | C3 | C4 | N2 | 96.5° | 80.0° |
| H5 | C3 | C4 | O2 | 156.4° | 140.0° |
| H5 | C3 | C5 | C6 | 47.4° | 55.0° |
| H5 | C3 | C5 | H6 | 168.3° | 175.0° |
| H5 | C3 | C5 | H7 | 73.5° | 65.0° |
| H5 | C3 | N1 | C1 | 48.9° | 180.0° |
| H5 | C3 | C4 | N2 | 22.7° | 40.0° |
| O2 | C4 | N2 | C12 | 1.1° | 0.0° |
| O2 | C4 | N2 | H19 | 178.9° | 179.9° |
| C6 | C5 | H6 | H7 | 117.2° | 120.0° |
| C5 | C6 | C7 | C11 | 123.4° | 120.0° |
| C5 | C6 | C7 | H8 | 119.2° | 120.0° |
| C5 | C6 | C11 | H8 | 118.8° | 120.0° |
| C5 | C6 | C7 | C8 | 174.9° | 180.0° |
| C5 | C6 | C7 | H9 | 54.7° | 60.0° |
| C5 | C6 | C7 | H10 | 64.8° | 60.0° |
| C5 | C6 | C11 | C10 | 175.2° | 180.0° |
| C5 | C6 | C11 | H17 | 64.4° | 60.0° |
| C5 | C6 | C11 | H18 | 54.9° | 60.0° |
| H6 | C5 | C6 | C7 | 42.7° | 55.0° |
| H6 | C5 | C6 | C11 | 164.5° | 175.0° |
| H6 | C5 | C6 | H8 | 76.6° | 65.0° |
| H7 | C5 | C6 | C7 | 75.5° | 65.0° |
| H7 | C5 | C6 | C11 | 46.3° | 55.0° |
| H7 | C5 | C6 | H8 | 165.2° | 175.1° |
| C7 | C6 | C11 | H8 | 117.3° | 119.9° |
| C6 | C7 | C8 | H9 | 120.2° | 120.0° |
| C6 | C7 | C8 | H10 | 120.2° | 120.0° |
| C6 | C7 | H9 | H10 | 119.4° | 120.0° |
| C6 | C7 | C8 | C9 | 55.7° | 60.0° |
| C6 | C7 | C8 | H11 | 64.7° | 60.0° |
| C6 | C7 | C8 | H12 | 176.0° | 180.0° |
| C7 | C6 | C11 | C10 | 60.9° | 60.0° |
| C7 | C6 | C11 | H17 | 59.5° | 60.0° |
| C7 | C6 | C11 | H18 | 178.7° | 180.0° |
| C11 | C6 | C7 | C8 | 61.6° | 60.0° |
| C11 | C6 | C7 | H9 | 178.2° | 180.0° |
| C11 | C6 | C7 | H10 | 58.6° | 60.1° |
| C6 | C11 | C10 | C9 | 54.3° | 60.0° |
| C6 | C11 | C10 | H17 | 120.4° | 120.0° |
| C6 | C11 | C10 | H18 | 120.3° | 120.0° |
| C6 | C11 | C10 | H15 | 66.0° | 60.0° |
| C6 | C11 | C10 | H16 | 174.6° | 180.0° |
| C6 | C11 | H17 | H18 | 118.9° | 120.0° |
| H8 | C6 | C7 | C8 | 55.7° | 60.0° |
| H8 | C6 | C7 | H9 | 64.5° | 60.0° |
| H8 | C6 | C7 | H10 | 175.9° | 180.0° |
| H8 | C6 | C11 | C10 | 56.4° | 60.0° |
| H8 | C6 | C11 | H17 | 176.8° | 180.0° |
| H8 | C6 | C11 | H18 | 64.0° | 60.0° |
| C8 | C7 | H9 | H10 | 119.3° | 120.0° |
| C7 | C8 | C9 | H11 | 120.3° | 120.0° |
| C7 | C8 | C9 | H12 | 120.4° | 120.0° |
| C7 | C8 | H11 | H12 | 119.0° | 120.0° |
| C7 | C8 | C9 | C10 | 48.6° | 60.0° |
| C7 | C8 | C9 | H13 | 169.1° | 180.0° |
| C7 | C8 | C9 | H14 | 72.0° | 60.0° |
| H9 | C7 | C8 | C9 | 175.9° | 179.9° |
| H9 | C7 | C8 | H11 | 55.5° | 59.9° |
| H9 | C7 | C8 | H12 | 63.8° | 60.0° |
| H10 | C7 | C8 | C9 | 64.6° | 60.1° |
| H10 | C7 | C8 | H11 | 175.1° | 179.9° |
| H10 | C7 | C8 | H12 | 55.8° | 60.0° |
| C9 | C8 | H11 | H12 | 119.0° | 120.0° |
| C8 | C9 | C10 | H13 | 120.5° | 120.0° |
| C8 | C9 | C10 | H14 | 120.6° | 120.0° |
| C8 | C9 | H13 | H14 | 118.3° | 120.0° |
| C8 | C9 | C10 | C11 | 47.2° | 60.0° |
| C8 | C9 | C10 | H15 | 73.1° | 60.1° |
| C8 | C9 | C10 | H16 | 167.6° | 180.0° |
| H11 | C8 | C9 | C10 | 71.8° | 60.0° |
| H11 | C8 | C9 | H13 | 48.8° | 60.0° |
| H11 | C8 | C9 | H14 | 167.7° | 180.0° |
| H12 | C8 | C9 | C10 | 168.9° | 180.0° |
| H12 | C8 | C9 | H13 | 70.5° | 60.0° |
| H12 | C8 | C9 | H14 | 48.4° | 60.0° |
| C10 | C9 | H13 | H14 | 118.3° | 120.0° |
| C9 | C10 | C11 | H15 | 120.3° | 120.0° |
| C9 | C10 | C11 | H16 | 120.3° | 120.0° |
| C9 | C10 | H15 | H16 | 119.0° | 120.0° |
| C9 | C10 | C11 | H17 | 66.1° | 60.0° |
| C9 | C10 | C11 | H18 | 174.6° | 180.0° |
| H13 | C9 | C10 | C11 | 167.8° | 180.0° |
| H13 | C9 | C10 | H15 | 47.5° | 60.0° |
| H13 | C9 | C10 | H16 | 71.9° | 60.0° |
| H14 | C9 | C10 | C11 | 73.3° | 60.0° |
| H14 | C9 | C10 | H15 | 166.4° | 180.0° |
| H14 | C9 | C10 | H16 | 47.0° | 60.0° |
| C11 | C10 | H15 | H16 | 119.0° | 120.0° |
| C10 | C11 | H17 | H18 | 118.9° | 120.0° |
| H15 | C10 | C11 | H17 | 173.6° | 180.0° |
| H15 | C10 | C11 | H18 | 54.3° | 60.0° |
| H16 | C10 | C11 | H17 | 54.2° | 60.0° |
| H16 | C10 | C11 | H18 | 65.1° | 60.0° |
| C12 | N2 | H19 | C4 | 180.0° | 179.9° |
| N2 | C12 | C13 | C14 | 120.0° | 120.0° |
| N2 | C12 | C13 | H20 | 121.0° | 120.0° |
| N2 | C12 | C14 | H20 | 121.0° | 120.0° |
| N2 | C12 | C13 | O3 | 45.0° | 0.0° |
| N2 | C12 | C14 | C15 | 76.4° | 65.0° |
| N2 | C12 | C14 | H21 | 44.1° | 55.0° |
| N2 | C12 | C14 | H22 | 163.1° | 175.0° |
| N2 | C12 | C13 | N6 | 133.8° | 180.0° |
| H19 | N2 | C12 | C13 | 67.8° | 25.1° |
| H19 | N2 | C12 | C14 | 52.0° | 95.0° |
| H19 | N2 | C12 | H20 | 172.1° | 145.0° |
| C13 | C12 | C14 | H20 | 118.9° | 120.0° |
| C12 | C13 | O3 | N6 | 178.6° | 180.0° |
| C13 | C12 | C14 | C15 | 163.6° | 175.0° |
| C13 | C12 | C14 | H21 | 75.9° | 65.0° |
| C13 | C12 | C14 | H22 | 43.0° | 55.0° |
| C12 | C13 | N6 | C18 | 178.1° | 180.0° |
| C12 | C13 | N6 | H32 | 1.9° | 0.0° |
| C13 | C12 | N2 | C4 | 112.2° | 155.0° |
| C14 | C12 | C13 | O3 | 75.0° | 120.0° |
| C12 | C14 | C15 | H21 | 120.5° | 120.0° |
| C12 | C14 | C15 | H22 | 120.5° | 120.0° |
| C12 | C14 | H21 | H22 | 118.4° | 120.0° |
| C12 | C14 | C15 | C16 | 173.5° | 180.0° |
| C12 | C14 | C15 | H23 | 66.6° | 60.0° |
| C12 | C14 | C15 | H24 | 53.7° | 60.0° |
| C14 | C12 | N2 | C4 | 128.0° | 85.0° |
| C14 | C12 | C13 | N6 | 106.2° | 60.0° |
| H20 | C12 | C13 | O3 | 165.9° | 120.0° |
| H20 | C12 | C14 | C15 | 44.6° | 55.1° |
| H20 | C12 | C14 | H21 | 165.1° | 175.0° |
| H20 | C12 | C14 | H22 | 75.9° | 65.0° |
| H20 | C12 | N2 | C4 | 7.9° | 35.1° |
| H20 | C12 | C13 | N6 | 12.9° | 60.0° |
| O3 | C13 | N6 | C18 | 3.1° | 0.0° |
| O3 | C13 | N6 | H32 | 176.9° | 180.0° |
| C15 | C14 | H21 | H22 | 118.4° | 120.0° |
| C14 | C15 | C16 | H23 | 119.9° | 120.0° |
| C14 | C15 | C16 | H24 | 119.9° | 120.0° |
| C14 | C15 | H23 | H24 | 120.3° | 119.9° |
| C14 | C15 | C16 | N3 | 171.7° | 180.0° |
| C14 | C15 | C16 | H25 | 51.2° | 60.0° |
| C14 | C15 | C16 | H26 | 67.8° | 60.0° |
| H21 | C14 | C15 | C16 | 53.0° | 60.0° |
| H21 | C14 | C15 | H23 | 172.9° | 180.0° |
| H21 | C14 | C15 | H24 | 66.8° | 60.0° |
| H22 | C14 | C15 | C16 | 65.9° | 60.0° |
| H22 | C14 | C15 | H23 | 53.9° | 60.0° |
| H22 | C14 | C15 | H24 | 174.2° | 180.0° |
| C16 | C15 | H23 | H24 | 120.3° | 120.0° |
| C15 | C16 | N3 | H25 | 120.4° | 120.0° |
| C15 | C16 | N3 | H26 | 120.5° | 120.0° |
| C15 | C16 | H25 | H26 | 118.6° | 120.0° |
| C15 | C16 | N3 | C17 | 179.3° | 180.0° |
| C15 | C16 | N3 | H27 | 0.7° | 0.0° |
| H23 | C15 | C16 | N3 | 68.4° | 60.0° |
| H23 | C15 | C16 | H25 | 171.1° | 180.0° |
| H23 | C15 | C16 | H26 | 52.0° | 60.0° |
| H24 | C15 | C16 | N3 | 51.8° | 60.0° |
| H24 | C15 | C16 | H25 | 68.6° | 60.0° |
| H24 | C15 | C16 | H26 | 172.3° | 180.0° |
| N3 | C16 | H25 | H26 | 118.6° | 120.0° |
| C16 | N3 | C17 | H27 | 180.0° | 180.0° |
| C16 | N3 | C17 | N4 | 0.6° | 0.0° |
| C16 | N3 | C17 | N5 | 175.5° | 180.0° |
| H25 | C16 | N3 | C17 | 58.9° | 60.0° |
| H25 | C16 | N3 | H27 | 121.2° | 120.0° |
| H26 | C16 | N3 | C17 | 60.2° | 60.0° |
| H26 | C16 | N3 | H27 | 119.8° | 120.0° |
| N3 | C17 | N4 | N5 | 176.0° | 180.0° |
| N3 | C17 | N4 | H28 | 176.0° | 0.0° |
| N3 | C17 | N4 | H29 | 4.0° | 180.0° |
| N3 | C17 | N5 | H30 | 176.1° | 0.1° |
| N3 | C17 | N5 | H31 | 3.9° | 180.0° |
| H27 | N3 | C17 | N4 | 179.4° | 180.0° |
| H27 | N3 | C17 | N5 | 4.6° | 0.0° |
| C17 | N4 | H28 | H29 | 180.0° | 180.0° |
| N4 | C17 | N5 | H30 | 0.0° | 180.0° |
| N4 | C17 | N5 | H31 | 180.0° | 0.1° |
| N5 | C17 | N4 | H28 | 0.0° | 180.0° |
| N5 | C17 | N4 | H29 | 180.0° | 0.0° |
| C17 | N5 | H30 | H31 | 180.0° | 179.9° |
| C18 | N6 | H32 | C13 | 180.0° | 179.9° |
| N6 | C18 | C19 | C20 | 118.3° | 120.0° |
| N6 | C18 | C19 | H33 | 120.8° | 119.9° |
| N6 | C18 | C20 | H33 | 122.5° | 119.9° |
| N6 | C18 | C19 | O4 | 36.5° | 26.5° |
| N6 | C18 | C20 | H34 | 180.0° | 177.8° |
| N6 | C18 | C20 | H35 | 60.0° | 57.8° |
| N6 | C18 | C20 | H36 | 60.0° | 62.3° |
| N6 | C18 | C19 | N7 | 139.1° | 153.6° |
| H32 | N6 | C18 | C19 | 91.5° | 25.1° |
| H32 | N6 | C18 | C20 | 26.2° | 95.0° |
| H32 | N6 | C18 | H33 | 148.3° | 145.0° |
| C19 | C18 | C20 | H33 | 120.9° | 120.1° |
| C18 | C19 | O4 | N7 | 175.3° | 179.9° |
| C19 | C18 | C20 | H34 | 63.5° | 62.2° |
| C19 | C18 | C20 | H35 | 176.5° | 177.8° |
| C19 | C18 | C20 | H36 | 56.6° | 57.7° |
| C18 | C19 | N7 | C21 | 175.4° | 175.1° |
| C18 | C19 | N7 | H37 | 4.6° | 5.0° |
| C19 | C18 | N6 | C13 | 88.5° | 155.0° |
| C20 | C18 | C19 | O4 | 81.7° | 93.5° |
| C18 | C20 | H34 | H35 | 120.0° | 120.0° |
| C18 | C20 | H34 | H36 | 120.0° | 120.0° |
| C18 | C20 | H35 | H36 | 120.0° | 120.0° |
| C20 | C18 | C19 | N7 | 102.7° | 86.4° |
| C20 | C18 | N6 | C13 | 153.8° | 85.0° |
| H33 | C18 | C19 | O4 | 157.3° | 146.4° |
| H33 | C18 | C20 | H34 | 57.4° | 57.8° |
| H33 | C18 | C20 | H35 | 62.5° | 62.2° |
| H33 | C18 | C20 | H36 | 177.5° | 177.8° |
| H33 | C18 | C19 | N7 | 18.3° | 33.7° |
| H33 | C18 | N6 | C13 | 31.8° | 35.0° |
| O4 | C19 | N7 | C21 | 9.0° | 5.0° |
| O4 | C19 | N7 | H37 | 171.0° | 174.9° |
| H34 | C20 | H35 | H36 | 120.0° | 120.0° |
| C21 | N7 | H37 | C19 | 180.0° | 179.9° |
| N7 | C21 | C22 | C25 | 116.1° | 119.6° |
| N7 | C21 | C22 | H38 | 123.2° | 120.8° |
| N7 | C21 | C25 | H38 | 117.6° | 120.8° |
| N7 | C21 | C22 | C23 | 165.3° | 75.5° |
| N7 | C21 | C22 | H39 | 74.3° | 168.1° |
| N7 | C21 | C22 | H40 | 44.8° | 40.9° |
| N7 | C21 | C25 | O6 | 17.2° | 156.9° |
| N7 | C21 | C25 | N9 | 162.3° | 23.1° |
| H37 | N7 | C21 | C22 | 29.0° | 119.3° |
| H37 | N7 | C21 | C25 | 91.7° | 1.0° |
| H37 | N7 | C21 | H38 | 151.5° | 119.9° |
| C22 | C21 | C25 | H38 | 120.7° | 119.6° |
| C21 | C22 | C23 | H39 | 120.5° | 116.4° |
| C21 | C22 | C23 | H40 | 120.4° | 116.4° |
| C21 | C22 | H39 | H40 | 118.6° | 127.4° |
| C21 | C22 | C23 | C24 | 36.7° | 44.4° |
| C21 | C22 | C23 | H41 | 157.3° | 75.2° |
| C21 | C22 | C23 | H42 | 83.9° | 164.0° |
| C22 | C21 | C25 | O6 | 104.5° | 83.6° |
| C22 | C21 | C25 | N9 | 76.0° | 96.4° |
| C22 | C21 | N7 | C19 | 151.0° | 60.7° |
| C25 | C21 | C22 | C23 | 49.2° | 44.1° |
| C25 | C21 | C22 | H39 | 169.6° | 72.3° |
| C25 | C21 | C22 | H40 | 71.3° | 160.5° |
| C21 | C25 | N9 | N8 | 2.8° | 13.5° |
| C21 | C25 | O6 | N9 | 179.5° | 180.0° |
| C21 | C25 | N9 | C26 | 177.7° | 167.2° |
| C25 | C21 | N7 | C19 | 88.2° | 179.1° |
| H38 | C21 | C22 | C23 | 71.5° | 163.8° |
| H38 | C21 | C22 | H39 | 49.0° | 47.4° |
| H38 | C21 | C22 | H40 | 168.1° | 79.8° |
| H38 | C21 | C25 | O6 | 134.8° | 36.0° |
| H38 | C21 | C25 | N9 | 44.7° | 144.0° |
| H38 | C21 | N7 | C19 | 28.5° | 60.0° |
| C23 | C22 | H39 | H40 | 118.6° | 127.5° |
| C22 | C23 | C24 | H41 | 120.6° | 119.6° |
| C22 | C23 | C24 | H42 | 120.6° | 119.7° |
| C22 | C23 | H41 | H42 | 118.2° | 120.7° |
| C22 | C23 | C24 | O5 | 106.3° | 80.7° |
| C22 | C23 | C24 | N8 | 71.5° | 99.2° |
| H39 | C22 | C23 | C24 | 83.7° | 160.8° |
| H39 | C22 | C23 | H41 | 36.9° | 41.1° |
| H39 | C22 | C23 | H42 | 155.7° | 79.6° |
| H40 | C22 | C23 | C24 | 157.2° | 72.0° |
| H40 | C22 | C23 | H41 | 82.2° | 168.4° |
| H40 | C22 | C23 | H42 | 36.6° | 47.6° |
| C24 | C23 | H41 | H42 | 118.2° | 120.6° |
| C23 | C24 | O5 | N8 | 177.6° | 179.9° |
| C23 | C24 | N8 | N9 | 5.0° | 16.1° |
| C23 | C24 | N8 | C29 | 179.0° | 164.5° |
| H41 | C23 | C24 | O5 | 14.3° | 159.6° |
| H41 | C23 | C24 | N8 | 168.0° | 20.5° |
| H42 | C23 | C24 | O5 | 133.1° | 38.9° |
| H42 | C23 | C24 | N8 | 49.1° | 141.2° |
| O5 | C24 | N8 | N9 | 172.7° | 163.8° |
| O5 | C24 | N8 | C29 | 3.3° | 15.6° |
| C24 | N8 | N9 | C29 | 176.4° | 179.5° |
| C24 | N8 | N9 | C25 | 46.2° | 38.1° |
| C24 | N8 | N9 | C26 | 133.3° | 141.3° |
| C24 | N8 | C29 | C28 | 128.0° | 137.0° |
| C24 | N8 | C29 | H48 | 111.9° | 17.0° |
| C24 | N8 | C29 | H49 | 8.0° | 102.9° |
| N8 | N9 | C25 | O6 | 177.7° | 166.5° |
| N8 | N9 | C25 | C26 | 179.5° | 179.3° |
| N8 | N9 | C26 | C27 | 42.1° | 43.6° |
| N8 | N9 | C26 | C30 | 84.8° | 163.7° |
| N8 | N9 | C26 | H43 | 157.8° | 76.5° |
| N9 | N8 | C29 | C28 | 55.6° | 43.6° |
| N9 | N8 | C29 | H48 | 64.4° | 163.7° |
| N9 | N8 | C29 | H49 | 175.7° | 76.5° |
| C29 | N8 | N9 | C25 | 130.1° | 141.4° |
| C29 | N8 | N9 | C26 | 50.4° | 39.2° |
| N8 | C29 | C28 | C27 | 56.2° | 56.0° |
| N8 | C29 | C28 | H48 | 120.1° | 120.1° |
| N8 | C29 | C28 | H49 | 120.1° | 120.1° |
| N8 | C29 | C28 | H46 | 63.8° | 175.9° |
| N8 | C29 | C28 | H47 | 176.3° | 63.9° |
| N8 | C29 | H48 | H49 | 119.8° | 119.8° |
| O6 | C25 | N9 | C26 | 1.8° | 12.8° |
| C25 | N9 | C26 | C27 | 138.4° | 137.1° |
| C25 | N9 | C26 | C30 | 94.7° | 17.0° |
| C25 | N9 | C26 | H43 | 22.7° | 102.8° |
| N9 | C26 | C27 | C30 | 127.7° | 120.1° |
| N9 | C26 | C27 | H43 | 116.3° | 120.1° |
| N9 | C26 | C30 | H43 | 117.8° | 119.9° |
| N9 | C26 | C27 | C28 | 43.5° | 56.2° |
| N9 | C26 | C27 | H44 | 164.3° | 63.7° |
| N9 | C26 | C27 | H45 | 77.3° | 176.1° |
| N9 | C26 | C30 | O7 | 22.7° | 41.3° |
| N9 | C26 | C30 | N10 | 148.9° | 138.6° |
| C27 | C26 | C30 | H43 | 115.9° | 119.8° |
| C26 | C27 | C28 | H44 | 120.8° | 119.8° |
| C26 | C27 | C28 | H45 | 120.8° | 119.9° |
| C26 | C27 | H44 | H45 | 117.5° | 120.2° |
| C26 | C27 | C28 | C29 | 51.7° | 63.8° |
| C26 | C27 | C28 | H46 | 68.3° | 176.3° |
| C26 | C27 | C28 | H47 | 171.8° | 56.1° |
| C27 | C26 | C30 | O7 | 103.5° | 79.0° |
| C27 | C26 | C30 | N10 | 84.8° | 101.1° |
| C30 | C26 | C27 | C28 | 84.2° | 176.2° |
| C30 | C26 | C27 | H44 | 36.6° | 56.4° |
| C30 | C26 | C27 | H45 | 155.0° | 63.8° |
| C26 | C30 | O7 | N10 | 171.1° | 180.0° |
| C26 | C30 | N10 | C31 | 176.7° | 180.0° |
| C26 | C30 | N10 | H50 | 3.2° | 0.0° |
| H43 | C26 | C27 | C28 | 159.8° | 64.0° |
| H43 | C26 | C27 | H44 | 79.4° | 176.2° |
| H43 | C26 | C27 | H45 | 38.9° | 56.0° |
| H43 | C26 | C30 | O7 | 140.5° | 161.2° |
| H43 | C26 | C30 | N10 | 31.1° | 18.7° |
| C28 | C27 | H44 | H45 | 117.5° | 120.2° |
| C27 | C28 | C29 | H46 | 120.1° | 119.9° |
| C27 | C28 | C29 | H47 | 120.1° | 119.9° |
| C27 | C28 | H46 | H47 | 119.8° | 120.2° |
| C27 | C28 | C29 | H48 | 63.9° | 176.1° |
| C27 | C28 | C29 | H49 | 176.3° | 64.1° |
| H44 | C27 | C28 | C29 | 172.5° | 56.1° |
| H44 | C27 | C28 | H46 | 52.4° | 63.8° |
| H44 | C27 | C28 | H47 | 67.4° | 176.0° |
| H45 | C27 | C28 | C29 | 69.1° | 176.3° |
| H45 | C27 | C28 | H46 | 170.8° | 56.4° |
| H45 | C27 | C28 | H47 | 51.0° | 63.8° |
| C29 | C28 | H46 | H47 | 119.8° | 120.2° |
| C28 | C29 | H48 | H49 | 119.8° | 119.9° |
| H46 | C28 | C29 | H48 | 176.1° | 64.0° |
| H46 | C28 | C29 | H49 | 56.2° | 55.8° |
| H47 | C28 | C29 | H48 | 56.2° | 56.2° |
| H47 | C28 | C29 | H49 | 63.6° | 176.0° |
| O7 | C30 | N10 | C31 | 11.8° | 0.0° |
| O7 | C30 | N10 | H50 | 168.2° | 180.0° |
| C31 | N10 | H50 | C30 | 180.0° | 180.0° |
| N10 | C31 | C32 | C33 | 121.5° | 120.0° |
| N10 | C31 | C32 | H51 | 118.1° | 119.9° |
| N10 | C31 | C33 | H51 | 123.8° | 119.9° |
| N10 | C31 | C32 | O8 | 46.6° | 0.0° |
| N10 | C31 | C33 | O9 | 72.4° | 65.1° |
| N10 | C31 | C33 | H52 | 47.9° | 175.0° |
| N10 | C31 | C33 | H53 | 167.3° | 55.0° |
| N10 | C31 | C32 | N11 | 127.8° | 180.0° |
| H50 | N10 | C31 | C32 | 80.6° | 25.1° |
| H50 | N10 | C31 | C33 | 38.8° | 95.0° |
| H50 | N10 | C31 | H51 | 161.9° | 145.1° |
| C32 | C31 | C33 | H51 | 120.6° | 120.0° |
| C31 | C32 | O8 | N11 | 173.9° | 180.0° |
| C32 | C31 | C33 | O9 | 172.0° | 55.0° |
| C32 | C31 | C33 | H52 | 67.7° | 64.9° |
| C32 | C31 | C33 | H53 | 51.7° | 175.0° |
| C31 | C32 | N11 | C34 | 179.8° | 180.0° |
| C31 | C32 | N11 | H55 | 0.2° | 0.0° |
| C32 | C31 | N10 | C30 | 99.4° | 155.0° |
| C33 | C31 | C32 | O8 | 74.9° | 120.0° |
| C31 | C33 | O9 | H52 | 120.3° | 120.0° |
| C31 | C33 | O9 | H53 | 120.3° | 120.1° |
| C31 | C33 | H52 | H53 | 119.2° | 120.1° |
| C31 | C33 | O9 | H54 | 180.0° | 180.0° |
| C33 | C31 | N10 | C30 | 141.2° | 85.0° |
| C33 | C31 | C32 | N11 | 110.6° | 60.0° |
| H51 | C31 | C32 | O8 | 164.7° | 120.0° |
| H51 | C31 | C33 | O9 | 51.4° | 175.0° |
| H51 | C31 | C33 | H52 | 171.6° | 55.1° |
| H51 | C31 | C33 | H53 | 68.9° | 64.9° |
| H51 | C31 | N10 | C30 | 18.1° | 35.0° |
| H51 | C31 | C32 | N11 | 9.7° | 60.0° |
| O8 | C32 | N11 | C34 | 5.9° | 0.0° |
| O8 | C32 | N11 | H55 | 174.1° | 180.0° |
| O9 | C33 | H52 | H53 | 119.2° | 120.0° |
| H52 | C33 | O9 | H54 | 59.7° | 60.0° |
| H53 | C33 | O9 | H54 | 59.8° | 59.9° |
| C34 | N11 | H55 | C32 | 180.0° | 180.0° |
| N11 | C34 | C35 | C36 | 118.1° | 120.0° |
| N11 | C34 | C35 | H56 | 120.4° | 120.0° |
| N11 | C34 | C36 | H56 | 121.5° | 120.0° |
| N11 | C34 | C35 | O10 | 40.9° | 0.0° |
| N11 | C34 | C36 | C37 | 56.8° | 65.0° |
| N11 | C34 | C36 | H57 | 63.4° | 55.1° |
| N11 | C34 | C36 | H58 | 177.0° | 175.0° |
| N11 | C34 | C35 | N12 | 150.6° | 180.0° |
| H55 | N11 | C34 | C35 | 96.3° | 95.0° |
| H55 | N11 | C34 | C36 | 23.2° | 25.0° |
| H55 | N11 | C34 | H56 | 144.0° | 145.0° |
| C35 | C34 | C36 | H56 | 121.6° | 120.0° |
| C34 | C35 | O10 | N12 | 167.9° | 179.9° |
| C35 | C34 | C36 | C37 | 173.7° | 175.0° |
| C35 | C34 | C36 | H57 | 53.5° | 64.9° |
| C35 | C34 | C36 | H58 | 66.1° | 55.0° |
| C34 | C35 | N12 | H66 | 168.2° | 0.1° |
| C34 | C35 | N12 | H67 | 11.9° | 180.0° |
| C35 | C34 | N11 | C32 | 83.7° | 85.0° |
| C36 | C34 | C35 | O10 | 77.2° | 120.0° |
| C34 | C36 | C37 | H57 | 120.2° | 120.1° |
| C34 | C36 | C37 | H58 | 120.2° | 120.0° |
| C34 | C36 | H57 | H58 | 119.4° | 119.9° |
| C34 | C36 | C37 | C38 | 172.9° | 175.0° |
| C34 | C36 | C37 | C39 | 52.7° | 65.0° |
| C34 | C36 | C37 | H59 | 67.8° | 55.0° |
| C36 | C34 | C35 | N12 | 91.4° | 60.1° |
| C36 | C34 | N11 | C32 | 156.8° | 155.0° |
| H56 | C34 | C35 | O10 | 161.2° | 120.0° |
| H56 | C34 | C36 | C37 | 64.7° | 55.0° |
| H56 | C34 | C36 | H57 | 175.1° | 175.1° |
| H56 | C34 | C36 | H58 | 55.5° | 65.0° |
| H56 | C34 | C35 | N12 | 30.2° | 60.0° |
| H56 | C34 | N11 | C32 | 36.0° | 35.0° |
| O10 | C35 | N12 | H66 | 0.0° | 180.0° |
| O10 | C35 | N12 | H67 | 180.0° | 0.1° |
| C37 | C36 | H57 | H58 | 119.4° | 120.0° |
| C36 | C37 | C38 | C39 | 119.9° | 120.0° |
| C36 | C37 | C38 | H59 | 119.3° | 120.0° |
| C36 | C37 | C39 | H59 | 120.4° | 120.0° |
| C36 | C37 | C38 | H60 | 180.0° | 60.0° |
| C36 | C37 | C38 | H61 | 60.0° | 180.0° |
| C36 | C37 | C38 | H62 | 60.0° | 60.0° |
| C36 | C37 | C39 | H63 | 180.0° | 60.0° |
| C36 | C37 | C39 | H64 | 60.0° | 180.0° |
| C36 | C37 | C39 | H65 | 60.0° | 60.1° |
| H57 | C36 | C37 | C38 | 66.9° | 55.0° |
| H57 | C36 | C37 | C39 | 172.9° | 175.0° |
| H57 | C36 | C37 | H59 | 52.4° | 65.1° |
| H58 | C36 | C37 | C38 | 52.7° | 65.0° |
| H58 | C36 | C37 | C39 | 67.5° | 55.0° |
| H58 | C36 | C37 | H59 | 172.0° | 175.0° |
| C38 | C37 | C39 | H59 | 120.8° | 120.0° |
| C37 | C38 | H60 | H61 | 120.0° | 120.0° |
| C37 | C38 | H60 | H62 | 120.0° | 120.0° |
| C37 | C38 | H61 | H62 | 120.0° | 120.0° |
| C38 | C37 | C39 | H63 | 61.2° | 180.0° |
| C38 | C37 | C39 | H64 | 58.8° | 60.0° |
| C38 | C37 | C39 | H65 | 178.7° | 59.9° |
| C39 | C37 | C38 | H60 | 60.0° | 60.0° |
| C39 | C37 | C38 | H61 | 179.9° | 60.1° |
| C39 | C37 | C38 | H62 | 59.9° | 180.0° |
| C37 | C39 | H63 | H64 | 120.0° | 120.0° |
| C37 | C39 | H63 | H65 | 120.1° | 120.1° |
| C37 | C39 | H64 | H65 | 120.0° | 120.0° |
| H59 | C37 | C38 | H60 | 60.7° | NaN° |
| H59 | C37 | C38 | H61 | 59.3° | 60.0° |
| H59 | C37 | C38 | H62 | 179.3° | 60.0° |
| H59 | C37 | C39 | H63 | 59.6° | 60.0° |
| H59 | C37 | C39 | H64 | 179.6° | 60.0° |
| H59 | C37 | C39 | H65 | 60.5° | 180.0° |
| H60 | C38 | H61 | H62 | 119.9° | 120.0° |
| H63 | C39 | H64 | H65 | 120.0° | 120.0° |
| H66 | N12 | H67 | C35 | 180.0° | 179.9° |
