6BQ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O1C | C1C | doub | 1.21Å | 1.42Å | |
| C2C | C1C | sing | 1.51Å | 1.51Å | |
| C2C | C3C | sing | 1.53Å | 1.53Å | |
| C5C | C3C | sing | 1.53Å | 1.52Å | |
| C1C | O4B | sing | 1.34Å | 1.42Å | |
| C4C | C3C | sing | 1.53Å | 1.55Å | |
| C6B | C5B | sing | 1.53Å | 1.50Å | |
| O4B | C4B | sing | 1.45Å | 1.48Å | |
| C4B | C5B | sing | 1.53Å | 1.49Å | |
| C4B | C3B | sing | 1.53Å | 1.46Å | |
| C5B | O5B | sing | 1.43Å | 1.43Å | |
| C18 | C17 | sing | 1.51Å | 1.49Å | |
| C7B | C3B | sing | 1.53Å | 1.51Å | |
| O5B | C1B | sing | 1.43Å | 1.39Å | |
| C3B | C2B | sing | 1.53Å | 1.43Å | |
| C3B | O3B | sing | 1.43Å | 1.37Å | |
| O1 | C1 | doub | 1.21Å | 1.22Å | |
| C17 | O7 | doub | 1.21Å | 1.35Å | |
| C17 | O6 | sing | 1.34Å | 1.41Å | |
| C2B | C1B | sing | 1.53Å | 1.52Å | |
| C1B | O1B | sing | 1.43Å | 1.42Å | |
| C6A | C5A | sing | 1.53Å | 1.45Å | |
| O6 | C3 | sing | 1.45Å | 1.39Å | |
| C16 | C15 | sing | 1.53Å | 1.51Å | |
| O4 | C21 | sing | 1.43Å | 1.41Å | |
| C1 | O2 | sing | 1.34Å | 1.41Å | |
| C1 | C2 | sing | 1.51Å | 1.54Å | |
| C15 | O2 | sing | 1.45Å | 1.43Å | |
| C15 | C14 | sing | 1.53Å | 1.53Å | |
| O1B | C4A | sing | 1.43Å | 1.52Å | |
| C5A | C4A | sing | 1.53Å | 1.53Å | |
| C5A | O5A | sing | 1.43Å | 1.51Å | |
| C2 | C3 | sing | 1.53Å | 1.53Å | |
| C14 | C13 | sing | 1.53Å | 1.41Å | |
| C3 | C4 | sing | 1.53Å | 1.52Å | |
| C21 | C20 | sing | 1.53Å | 1.51Å | |
| C4A | C3A | sing | 1.53Å | 1.45Å | |
| C13 | C12 | sing | 1.51Å | 1.51Å | |
| O5A | C1A | sing | 1.43Å | 1.40Å | |
| O5 | C4 | sing | 1.43Å | 1.40Å | |
| O5 | C19 | sing | 1.43Å | 1.40Å | |
| C4 | C5 | sing | 1.53Å | 1.53Å | |
| C1A | O1A | sing | 1.43Å | 1.48Å | |
| C1A | C2A | sing | 1.53Å | 1.50Å | |
| C5 | C6 | sing | 1.53Å | 1.59Å | |
| C5 | O1A | sing | 1.43Å | 1.44Å | |
| C3A | C2A | sing | 1.53Å | 1.49Å | |
| C3A | N3A | sing | 1.47Å | 1.48Å | |
| C12 | C11 | doub | 1.31Å | 1.41Å | |
| C20 | C6 | sing | 1.53Å | 1.55Å | |
| C11 | C10 | sing | 1.51Å | 1.51Å | |
| C6 | C7 | sing | 1.53Å | 1.53Å | |
| C59 | N3A | sing | 1.47Å | 1.44Å | |
| C2A | O2A | sing | 1.43Å | 1.36Å | |
| N3A | C7A | sing | 1.47Å | 1.47Å | |
| O2A | P59 | sing | 1.61Å | 1.62Å | |
| C10 | C9 | sing | 1.53Å | 1.52Å | |
| C9 | O3 | sing | 1.43Å | 1.41Å | |
| C9 | C8 | sing | 1.53Å | 1.56Å | |
| C7 | C8 | sing | 1.53Å | 1.55Å | |
| C8 | C22 | sing | 1.53Å | 1.51Å | |
| P59 | O60 | doub | 1.48Å | 1.53Å | |
| P59 | O62 | sing | 1.61Å | 1.50Å | |
| P59 | O61 | sing | 1.61Å | 1.53Å | |
| C9 | H1 | sing | 1.09Å | 1.10Å | |
| C10 | H2 | sing | 1.09Å | 1.10Å | |
| C10 | H3 | sing | 1.09Å | 1.10Å | |
| C11 | H4 | sing | 1.08Å | 1.08Å | |
| C12 | H6 | sing | 1.08Å | 1.08Å | |
| C13 | H8 | sing | 1.09Å | 1.10Å | |
| C13 | H5 | sing | 1.09Å | 1.10Å | |
| C14 | H11 | sing | 1.09Å | 1.10Å | |
| C14 | H10 | sing | 1.09Å | 1.10Å | |
| C15 | H12 | sing | 1.09Å | 1.10Å | |
| C16 | H14 | sing | 1.09Å | 1.10Å | |
| C16 | H13 | sing | 1.09Å | 1.10Å | |
| C16 | H15 | sing | 1.09Å | 1.10Å | |
| C2 | H17 | sing | 1.09Å | 1.10Å | |
| C2 | H16 | sing | 1.09Å | 1.10Å | |
| C3 | H18 | sing | 1.09Å | 1.10Å | |
| C18 | H19 | sing | 1.09Å | 1.10Å | |
| C18 | H20 | sing | 1.09Å | 1.10Å | |
| C18 | H21 | sing | 1.09Å | 1.10Å | |
| C4 | H22 | sing | 1.09Å | 1.10Å | |
| C19 | H23 | sing | 1.09Å | 1.10Å | |
| C19 | H24 | sing | 1.09Å | 1.10Å | |
| C19 | H25 | sing | 1.09Å | 1.10Å | |
| C5 | H26 | sing | 1.09Å | 1.10Å | |
| C6 | H27 | sing | 1.09Å | 1.10Å | |
| C20 | H28 | sing | 1.09Å | 1.10Å | |
| C20 | H29 | sing | 1.09Å | 1.10Å | |
| C21 | H30 | sing | 1.09Å | 1.10Å | |
| C21 | H7 | sing | 1.09Å | 1.10Å | |
| C7 | H33 | sing | 1.09Å | 1.10Å | |
| C7 | H32 | sing | 1.09Å | 1.10Å | |
| C8 | H34 | sing | 1.09Å | 1.10Å | |
| C22 | H36 | sing | 1.09Å | 1.10Å | |
| C22 | H35 | sing | 1.09Å | 1.10Å | |
| C22 | H37 | sing | 1.09Å | 1.10Å | |
| O3 | H38 | sing | 0.97Å | 0.95Å | |
| O4 | H9 | sing | 0.97Å | 0.95Å | |
| C1A | H40 | sing | 1.09Å | 1.10Å | |
| C2A | H41 | sing | 1.09Å | 1.10Å | |
| C3A | H42 | sing | 1.09Å | 1.10Å | |
| C4A | H43 | sing | 1.09Å | 1.10Å | |
| C5A | H44 | sing | 1.09Å | 1.10Å | |
| C6A | H45 | sing | 1.09Å | 1.10Å | |
| C6A | H47 | sing | 1.09Å | 1.10Å | |
| C6A | H46 | sing | 1.09Å | 1.10Å | |
| C7A | H50 | sing | 1.09Å | 1.10Å | |
| C7A | H48 | sing | 1.09Å | 1.10Å | |
| C7A | H49 | sing | 1.09Å | 1.10Å | |
| C1B | H52 | sing | 1.09Å | 1.10Å | |
| C2B | H53 | sing | 1.09Å | 1.10Å | |
| C2B | H54 | sing | 1.09Å | 1.10Å | |
| C4B | H55 | sing | 1.09Å | 1.10Å | |
| C5B | H56 | sing | 1.09Å | 1.10Å | |
| C6B | H59 | sing | 1.09Å | 1.10Å | |
| C6B | H57 | sing | 1.09Å | 1.10Å | |
| C6B | H58 | sing | 1.09Å | 1.10Å | |
| C7B | H60 | sing | 1.09Å | 1.10Å | |
| C7B | H61 | sing | 1.09Å | 1.10Å | |
| C7B | H62 | sing | 1.09Å | 1.10Å | |
| O3B | H63 | sing | 0.97Å | 0.95Å | |
| C2C | H65 | sing | 1.09Å | 1.10Å | |
| C2C | H66 | sing | 1.09Å | 1.10Å | |
| C3C | H67 | sing | 1.09Å | 1.10Å | |
| C4C | H69 | sing | 1.09Å | 1.10Å | |
| C4C | H68 | sing | 1.09Å | 1.10Å | |
| C4C | H70 | sing | 1.09Å | 1.10Å | |
| C5C | H72 | sing | 1.09Å | 1.10Å | |
| C5C | H71 | sing | 1.09Å | 1.10Å | |
| C5C | H73 | sing | 1.09Å | 1.10Å | |
| C59 | H75 | sing | 1.09Å | 1.10Å | |
| C59 | H76 | sing | 1.09Å | 1.10Å | |
| C59 | H77 | sing | 1.09Å | 1.10Å | |
| O61 | H39 | sing | 0.97Å | 0.95Å | |
| O62 | H51 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1C | C1C | C2C | 119.8° | 120.0° |
| O1C | C1C | O4B | 118.6° | 120.0° |
| C1C | C2C | C3C | 115.9° | 109.4° |
| C2C | C1C | O4B | 121.6° | 120.0° |
| C1C | C2C | H65 | 107.8° | 109.5° |
| C1C | C2C | H66 | 107.8° | 109.5° |
| C2C | C3C | C5C | 112.7° | 109.4° |
| C2C | C3C | C4C | 110.5° | 109.4° |
| C3C | C2C | H65 | 107.8° | 109.5° |
| C3C | C2C | H66 | 107.8° | 109.4° |
| C2C | C3C | H67 | 106.0° | 109.5° |
| C5C | C3C | C4C | 115.0° | 109.4° |
| C5C | C3C | H67 | 106.1° | 109.5° |
| C3C | C5C | H72 | 109.5° | 109.4° |
| C3C | C5C | H71 | 109.5° | 109.5° |
| C3C | C5C | H73 | 109.5° | 109.5° |
| C1C | O4B | C4B | 126.4° | 117.0° |
| C4C | C3C | H67 | 105.8° | 109.5° |
| C3C | C4C | H69 | 109.5° | 109.4° |
| C3C | C4C | H68 | 109.5° | 109.5° |
| C3C | C4C | H70 | 109.5° | 109.5° |
| C6B | C5B | C4B | 115.6° | 109.5° |
| C6B | C5B | O5B | 107.2° | 109.5° |
| C6B | C5B | H56 | 107.7° | 109.5° |
| C5B | C6B | H59 | 109.5° | 109.5° |
| C5B | C6B | H57 | 109.5° | 109.5° |
| C5B | C6B | H58 | 109.5° | 109.5° |
| O4B | C4B | C5B | 107.6° | 109.5° |
| O4B | C4B | C3B | 110.1° | 109.5° |
| O4B | C4B | H55 | 108.6° | 109.6° |
| C5B | C4B | C3B | 113.0° | 109.2° |
| C4B | C5B | O5B | 109.8° | 109.4° |
| C5B | C4B | H55 | 108.4° | 109.5° |
| C4B | C5B | H56 | 107.8° | 109.5° |
| C4B | C3B | C7B | 111.4° | 109.6° |
| C4B | C3B | C2B | 108.4° | 109.0° |
| C4B | C3B | O3B | 110.3° | 109.5° |
| C3B | C4B | H55 | 108.9° | 109.6° |
| C5B | O5B | C1B | 113.2° | 114.1° |
| O5B | C5B | H56 | 108.6° | 109.5° |
| C18 | C17 | O7 | 120.0° | 120.0° |
| C18 | C17 | O6 | 120.1° | 120.0° |
| C17 | C18 | H19 | 109.5° | 109.5° |
| C17 | C18 | H20 | 109.5° | 109.5° |
| C17 | C18 | H21 | 109.5° | 109.4° |
| C7B | C3B | C2B | 113.1° | 109.6° |
| C7B | C3B | O3B | 104.0° | 109.6° |
| C3B | C7B | H60 | 109.5° | 109.5° |
| C3B | C7B | H61 | 109.4° | 109.5° |
| C3B | C7B | H62 | 109.5° | 109.4° |
| O5B | C1B | C2B | 109.0° | 109.4° |
| O5B | C1B | O1B | 108.2° | 109.5° |
| O5B | C1B | H52 | 109.0° | 109.5° |
| C2B | C3B | O3B | 109.6° | 109.5° |
| C3B | C2B | C1B | 110.6° | 109.2° |
| C3B | C2B | H53 | 109.2° | 109.5° |
| C3B | C2B | H54 | 109.2° | 109.5° |
| C3B | O3B | H63 | 109.5° | 114.0° |
| O1 | C1 | O2 | 123.6° | 120.0° |
| O1 | C1 | C2 | 121.7° | 120.0° |
| O7 | C17 | O6 | 119.9° | 120.0° |
| C17 | O6 | C3 | 122.8° | 117.0° |
| C2B | C1B | O1B | 114.6° | 109.4° |
| C2B | C1B | H52 | 107.3° | 109.5° |
| C1B | C2B | H53 | 109.2° | 109.5° |
| C1B | C2B | H54 | 109.2° | 109.6° |
| C1B | O1B | C4A | 116.4° | 113.9° |
| O1B | C1B | H52 | 108.6° | 109.5° |
| C6A | C5A | C4A | 120.5° | 109.5° |
| C6A | C5A | O5A | 106.7° | 109.5° |
| C6A | C5A | H44 | 106.7° | 109.5° |
| C5A | C6A | H45 | 109.5° | 109.5° |
| C5A | C6A | H47 | 109.5° | 109.5° |
| C5A | C6A | H46 | 109.5° | 109.5° |
| O6 | C3 | C2 | 110.3° | 109.4° |
| O6 | C3 | C4 | 111.3° | 109.5° |
| O6 | C3 | H18 | 109.2° | 109.5° |
| C16 | C15 | O2 | 111.7° | 109.5° |
| C16 | C15 | C14 | 110.3° | 109.5° |
| C16 | C15 | H12 | 107.9° | 109.4° |
| C15 | C16 | H14 | 109.5° | 109.5° |
| C15 | C16 | H13 | 109.5° | 109.5° |
| C15 | C16 | H15 | 109.4° | 109.4° |
| O4 | C21 | C20 | 118.8° | 109.5° |
| O4 | C21 | H30 | 107.1° | 109.5° |
| O4 | C21 | H7 | 107.1° | 109.4° |
| C21 | O4 | H9 | 109.5° | 114.0° |
| O2 | C1 | C2 | 113.6° | 120.0° |
| C1 | O2 | C15 | 122.3° | 117.0° |
| C1 | C2 | C3 | 114.2° | 109.4° |
| C1 | C2 | H17 | 108.3° | 109.4° |
| C1 | C2 | H16 | 108.3° | 109.5° |
| O2 | C15 | C14 | 110.2° | 109.5° |
| O2 | C15 | H12 | 108.9° | 109.5° |
| C15 | C14 | C13 | 113.4° | 109.5° |
| C15 | C14 | H11 | 108.5° | 109.5° |
| C15 | C14 | H10 | 108.5° | 109.4° |
| C14 | C15 | H12 | 107.7° | 109.5° |
| O1B | C4A | C5A | 107.6° | 109.6° |
| O1B | C4A | C3A | 112.3° | 109.5° |
| O1B | C4A | H43 | 106.7° | 109.6° |
| C4A | C5A | O5A | 110.2° | 109.4° |
| C5A | C4A | C3A | 115.5° | 109.1° |
| C5A | C4A | H43 | 106.7° | 109.5° |
| C4A | C5A | H44 | 105.8° | 109.5° |
| C5A | O5A | C1A | 106.2° | 114.1° |
| O5A | C5A | H44 | 106.0° | 109.5° |
| C2 | C3 | C4 | 111.2° | 109.5° |
| C3 | C2 | H17 | 108.3° | 109.4° |
| C3 | C2 | H16 | 108.3° | 109.5° |
| C2 | C3 | H18 | 107.2° | 109.4° |
| C14 | C13 | C12 | 123.4° | 109.5° |
| C14 | C13 | H8 | 105.9° | 109.5° |
| C14 | C13 | H5 | 105.9° | 109.5° |
| C13 | C14 | H11 | 108.5° | 109.5° |
| C13 | C14 | H10 | 108.5° | 109.5° |
| C3 | C4 | O5 | 105.8° | 109.5° |
| C3 | C4 | C5 | 114.8° | 109.4° |
| C4 | C3 | H18 | 107.4° | 109.5° |
| C3 | C4 | H22 | 108.7° | 109.4° |
| C21 | C20 | C6 | 119.8° | 109.5° |
| C21 | C20 | H28 | 106.8° | 109.5° |
| C21 | C20 | H29 | 106.8° | 109.5° |
| C20 | C21 | H30 | 107.1° | 109.5° |
| C20 | C21 | H7 | 107.1° | 109.5° |
| C4A | C3A | C2A | 115.1° | 109.0° |
| C4A | C3A | N3A | 109.9° | 109.5° |
| C4A | C3A | H42 | 109.1° | 109.7° |
| C3A | C4A | H43 | 107.5° | 109.5° |
| C13 | C12 | C11 | 121.6° | 120.0° |
| C13 | C12 | H6 | 119.2° | 120.0° |
| C12 | C13 | H8 | 105.9° | 109.4° |
| C12 | C13 | H5 | 105.9° | 109.5° |
| O5A | C1A | O1A | 108.3° | 109.5° |
| O5A | C1A | C2A | 109.1° | 109.4° |
| O5A | C1A | H40 | 111.7° | 109.5° |
| C4 | O5 | C19 | 117.3° | 114.0° |
| O5 | C4 | C5 | 108.6° | 109.5° |
| O5 | C4 | H22 | 110.3° | 109.5° |
| O5 | C19 | H23 | 109.5° | 109.5° |
| O5 | C19 | H24 | 109.5° | 109.5° |
| O5 | C19 | H25 | 109.5° | 109.5° |
| C4 | C5 | C6 | 113.0° | 109.5° |
| C4 | C5 | O1A | 113.9° | 109.5° |
| C5 | C4 | H22 | 108.5° | 109.5° |
| C4 | C5 | H26 | 107.0° | 109.5° |
| O1A | C1A | C2A | 107.0° | 109.5° |
| C1A | O1A | C5 | 117.1° | 114.0° |
| O1A | C1A | H40 | 110.5° | 109.5° |
| C1A | C2A | C3A | 109.0° | 109.2° |
| C1A | C2A | O2A | 103.1° | 109.5° |
| C2A | C1A | H40 | 110.1° | 109.5° |
| C1A | C2A | H41 | 109.1° | 109.5° |
| C6 | C5 | O1A | 108.0° | 109.5° |
| C5 | C6 | C20 | 110.3° | 109.5° |
| C5 | C6 | C7 | 113.5° | 109.4° |
| C6 | C5 | H26 | 106.4° | 109.4° |
| C5 | C6 | H27 | 107.5° | 109.4° |
| O1A | C5 | H26 | 108.2° | 109.5° |
| C2A | C3A | N3A | 105.2° | 109.5° |
| C3A | C2A | O2A | 114.7° | 109.5° |
| C3A | C2A | H41 | 109.3° | 109.6° |
| C2A | C3A | H42 | 108.6° | 109.5° |
| C3A | N3A | C59 | 111.5° | 111.0° |
| C3A | N3A | C7A | 120.7° | 111.0° |
| N3A | C3A | H42 | 108.7° | 109.5° |
| C12 | C11 | C10 | 118.8° | 120.0° |
| C12 | C11 | H4 | 120.6° | 119.9° |
| C11 | C12 | H6 | 119.2° | 120.0° |
| C20 | C6 | C7 | 109.4° | 109.5° |
| C20 | C6 | H27 | 107.9° | 109.5° |
| C6 | C20 | H28 | 106.8° | 109.5° |
| C6 | C20 | H29 | 106.8° | 109.5° |
| C11 | C10 | C9 | 122.1° | 109.4° |
| C11 | C10 | H2 | 106.2° | 109.4° |
| C11 | C10 | H3 | 106.2° | 109.4° |
| C10 | C11 | H4 | 120.6° | 120.0° |
| C6 | C7 | C8 | 113.2° | 109.5° |
| C7 | C6 | H27 | 108.1° | 109.5° |
| C6 | C7 | H33 | 108.5° | 109.4° |
| C6 | C7 | H32 | 108.5° | 109.5° |
| C59 | N3A | C7A | 112.8° | 111.0° |
| N3A | C59 | H75 | 109.5° | 109.5° |
| N3A | C59 | H76 | 109.5° | 109.4° |
| N3A | C59 | H77 | 109.4° | 109.5° |
| C2A | O2A | P59 | 121.3° | 123.0° |
| O2A | C2A | H41 | 111.2° | 109.5° |
| N3A | C7A | H50 | 109.5° | 109.5° |
| N3A | C7A | H48 | 109.5° | 109.5° |
| N3A | C7A | H49 | 109.5° | 109.4° |
| O2A | P59 | O60 | 105.2° | 109.5° |
| O2A | P59 | O62 | 109.2° | 109.4° |
| O2A | P59 | O61 | 111.1° | 109.5° |
| C10 | C9 | O3 | 107.9° | 109.5° |
| C10 | C9 | C8 | 113.7° | 109.5° |
| C10 | C9 | H1 | 107.5° | 109.5° |
| C9 | C10 | H2 | 106.2° | 109.5° |
| C9 | C10 | H3 | 106.2° | 109.5° |
| O3 | C9 | C8 | 111.8° | 109.5° |
| O3 | C9 | H1 | 108.8° | 109.5° |
| C9 | O3 | H38 | 109.5° | 114.0° |
| C9 | C8 | C7 | 114.1° | 109.5° |
| C9 | C8 | C22 | 111.6° | 109.5° |
| C8 | C9 | H1 | 107.0° | 109.4° |
| C9 | C8 | H34 | 107.0° | 109.4° |
| C7 | C8 | C22 | 109.3° | 109.5° |
| C8 | C7 | H33 | 108.5° | 109.5° |
| C8 | C7 | H32 | 108.6° | 109.5° |
| C7 | C8 | H34 | 107.0° | 109.5° |
| C22 | C8 | H34 | 107.5° | 109.5° |
| C8 | C22 | H36 | 109.5° | 109.5° |
| C8 | C22 | H35 | 109.5° | 109.5° |
| C8 | C22 | H37 | 109.5° | 109.5° |
| O60 | P59 | O62 | 109.6° | 109.4° |
| O60 | P59 | O61 | 111.9° | 109.5° |
| O62 | P59 | O61 | 109.6° | 109.5° |
| P59 | O62 | H51 | 109.5° | 114.0° |
| P59 | O61 | H39 | 109.5° | 114.0° |
| H2 | C10 | H3 | 109.5° | 109.5° |
| H8 | C13 | H5 | 109.5° | 109.5° |
| H11 | C14 | H10 | 109.5° | 109.5° |
| H14 | C16 | H13 | 109.4° | 109.5° |
| H14 | C16 | H15 | 109.5° | 109.5° |
| H13 | C16 | H15 | 109.4° | 109.4° |
| H17 | C2 | H16 | 109.5° | 109.5° |
| H19 | C18 | H20 | 109.5° | 109.5° |
| H19 | C18 | H21 | 109.5° | 109.5° |
| H20 | C18 | H21 | 109.4° | 109.5° |
| H23 | C19 | H24 | 109.5° | 109.5° |
| H23 | C19 | H25 | 109.5° | 109.4° |
| H24 | C19 | H25 | 109.5° | 109.5° |
| H28 | C20 | H29 | 109.5° | 109.4° |
| H30 | C21 | H7 | 109.4° | 109.5° |
| H33 | C7 | H32 | 109.5° | 109.5° |
| H36 | C22 | H35 | 109.4° | 109.4° |
| H36 | C22 | H37 | 109.5° | 109.5° |
| H35 | C22 | H37 | 109.5° | 109.4° |
| H45 | C6A | H47 | 109.5° | 109.5° |
| H45 | C6A | H46 | 109.5° | 109.4° |
| H47 | C6A | H46 | 109.4° | 109.5° |
| H50 | C7A | H48 | 109.5° | 109.5° |
| H50 | C7A | H49 | 109.5° | 109.5° |
| H48 | C7A | H49 | 109.5° | 109.5° |
| H53 | C2B | H54 | 109.5° | 109.5° |
| H59 | C6B | H57 | 109.5° | 109.5° |
| H59 | C6B | H58 | 109.5° | 109.5° |
| H57 | C6B | H58 | 109.5° | 109.4° |
| H60 | C7B | H61 | 109.5° | 109.5° |
| H60 | C7B | H62 | 109.5° | 109.5° |
| H61 | C7B | H62 | 109.5° | 109.4° |
| H65 | C2C | H66 | 109.5° | 109.5° |
| H69 | C4C | H68 | 109.5° | 109.4° |
| H69 | C4C | H70 | 109.5° | 109.5° |
| H68 | C4C | H70 | 109.5° | 109.5° |
| H72 | C5C | H71 | 109.5° | 109.4° |
| H72 | C5C | H73 | 109.4° | 109.5° |
| H71 | C5C | H73 | 109.5° | 109.5° |
| H75 | C59 | H76 | 109.5° | 109.5° |
| H75 | C59 | H77 | 109.5° | 109.5° |
| H76 | C59 | H77 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1C | C1C | C2C | O4B | 178.1° | 179.9° |
| O1C | C1C | C2C | C3C | 123.7° | 0.0° |
| O1C | C1C | O4B | C4B | 9.4° | 0.0° |
| O1C | C1C | C2C | H65 | 115.4° | 120.0° |
| O1C | C1C | C2C | H66 | 2.7° | 120.0° |
| C1C | C2C | C3C | H65 | 120.9° | 120.0° |
| C1C | C2C | C3C | H66 | 120.9° | 120.0° |
| C1C | C2C | C3C | C5C | 158.7° | 175.0° |
| C1C | C2C | C3C | C4C | 71.0° | 65.1° |
| C2C | C1C | O4B | C4B | 168.7° | 180.0° |
| C1C | C2C | H65 | H66 | 117.1° | 120.0° |
| C1C | C2C | C3C | H67 | 43.1° | 55.0° |
| C2C | C3C | C5C | C4C | 127.9° | 119.9° |
| C2C | C3C | C5C | H67 | 115.5° | 120.0° |
| C3C | C2C | C1C | O4B | 54.4° | 180.0° |
| C2C | C3C | C4C | H67 | 114.3° | 120.0° |
| C3C | C2C | H65 | H66 | 117.1° | 120.0° |
| C2C | C3C | C4C | H69 | 180.0° | 180.0° |
| C2C | C3C | C4C | H68 | 60.0° | 60.1° |
| C2C | C3C | C4C | H70 | 60.0° | 60.0° |
| C2C | C3C | C5C | H72 | 180.0° | 60.1° |
| C2C | C3C | C5C | H71 | 60.0° | 180.0° |
| C2C | C3C | C5C | H73 | 60.0° | 60.0° |
| C5C | C3C | C4C | H67 | 116.7° | 120.0° |
| C5C | C3C | C2C | H65 | 37.8° | 65.0° |
| C5C | C3C | C2C | H66 | 80.4° | 55.1° |
| C5C | C3C | C4C | H69 | 51.0° | 60.1° |
| C5C | C3C | C4C | H68 | 69.0° | 180.0° |
| C5C | C3C | C4C | H70 | 171.0° | 60.0° |
| C3C | C5C | H72 | H71 | 120.0° | 120.0° |
| C3C | C5C | H72 | H73 | 120.0° | 120.0° |
| C3C | C5C | H71 | H73 | 120.0° | 120.0° |
| C1C | O4B | C4B | C5B | 117.9° | 90.0° |
| C1C | O4B | C4B | C3B | 118.5° | 150.4° |
| C1C | O4B | C4B | H55 | 0.6° | 30.2° |
| O4B | C1C | C2C | H65 | 66.5° | 60.0° |
| O4B | C1C | C2C | H66 | 175.4° | 60.1° |
| C4C | C3C | C2C | H65 | 168.0° | 54.9° |
| C4C | C3C | C2C | H66 | 49.9° | 175.0° |
| C3C | C4C | H69 | H68 | 120.0° | 119.9° |
| C3C | C4C | H69 | H70 | 120.0° | 120.0° |
| C3C | C4C | H68 | H70 | 120.0° | 120.1° |
| C4C | C3C | C5C | H72 | 52.1° | 180.0° |
| C4C | C3C | C5C | H71 | 172.1° | 60.1° |
| C4C | C3C | C5C | H73 | 67.9° | 60.0° |
| C6B | C5B | C4B | O4B | 63.9° | 62.5° |
| C6B | C5B | C4B | O5B | 121.4° | 120.0° |
| C6B | C5B | C4B | H56 | 120.5° | 120.0° |
| C6B | C5B | C4B | C3B | 174.3° | 177.6° |
| C6B | C5B | O5B | H56 | 116.1° | 120.0° |
| C6B | C5B | O5B | C1B | 178.3° | 178.9° |
| C6B | C5B | C4B | H55 | 53.4° | 57.7° |
| C5B | C6B | H59 | H57 | 120.0° | 120.0° |
| C5B | C6B | H59 | H58 | 120.0° | 120.0° |
| C5B | C6B | H57 | H58 | 120.0° | 120.0° |
| O4B | C4B | C5B | C3B | 121.8° | 119.9° |
| O4B | C4B | C5B | H55 | 117.4° | 120.2° |
| O4B | C4B | C3B | H55 | 119.0° | 120.2° |
| O4B | C4B | C5B | O5B | 174.7° | 177.5° |
| O4B | C4B | C3B | C7B | 59.1° | 63.2° |
| O4B | C4B | C3B | C2B | 175.8° | 176.9° |
| O4B | C4B | C3B | O3B | 55.8° | 57.1° |
| O4B | C4B | C5B | H56 | 56.6° | 57.5° |
| C5B | C4B | C3B | H55 | 120.6° | 119.9° |
| C4B | C5B | O5B | H56 | 117.6° | 120.0° |
| C5B | C4B | C3B | C7B | 179.6° | 176.9° |
| C4B | C5B | O5B | C1B | 55.4° | 61.1° |
| C5B | C4B | C3B | C2B | 55.3° | 57.0° |
| C5B | C4B | C3B | O3B | 64.7° | 62.8° |
| C4B | C5B | C6B | H59 | 180.0° | 60.0° |
| C4B | C5B | C6B | H57 | 60.0° | 180.0° |
| C4B | C5B | C6B | H58 | 60.0° | 60.0° |
| C3B | C4B | C5B | O5B | 52.9° | 57.6° |
| C4B | C3B | C7B | C2B | 122.4° | 119.6° |
| C4B | C3B | C7B | O3B | 118.8° | 120.2° |
| C4B | C3B | C2B | O3B | 120.4° | 119.8° |
| C4B | C3B | C2B | C1B | 57.8° | 57.0° |
| C4B | C3B | C2B | H53 | 178.0° | 63.0° |
| C4B | C3B | C2B | H54 | 62.3° | 177.0° |
| C3B | C4B | C5B | H56 | 65.2° | 62.4° |
| C4B | C3B | C7B | H60 | 180.0° | 179.6° |
| C4B | C3B | C7B | H61 | 60.0° | 60.4° |
| C4B | C3B | C7B | H62 | 60.0° | 59.6° |
| C4B | C3B | O3B | H63 | 180.0° | 179.5° |
| C5B | O5B | C1B | C2B | 58.8° | 61.1° |
| C5B | O5B | C1B | O1B | 66.4° | 58.8° |
| C5B | O5B | C1B | H52 | 175.7° | 178.8° |
| O5B | C5B | C4B | H55 | 67.9° | 62.3° |
| O5B | C5B | C6B | H59 | 57.2° | 180.0° |
| O5B | C5B | C6B | H57 | 62.8° | 60.0° |
| O5B | C5B | C6B | H58 | 177.3° | 59.9° |
| C18 | C17 | O7 | O6 | 179.5° | 179.9° |
| C18 | C17 | O6 | C3 | 174.7° | 175.6° |
| C17 | C18 | H19 | H20 | 120.0° | 120.0° |
| C17 | C18 | H19 | H21 | 120.0° | 119.9° |
| C17 | C18 | H20 | H21 | 120.0° | 119.9° |
| C7B | C3B | C2B | O3B | 115.5° | 120.2° |
| C7B | C3B | C2B | C1B | 178.1° | 176.9° |
| C7B | C3B | C2B | H53 | 58.0° | 57.0° |
| C7B | C3B | C2B | H54 | 61.7° | 63.1° |
| C7B | C3B | C4B | H55 | 59.8° | 57.0° |
| C3B | C7B | H60 | H61 | 120.0° | 120.0° |
| C3B | C7B | H60 | H62 | 120.0° | 120.0° |
| C3B | C7B | H61 | H62 | 120.0° | 120.0° |
| C7B | C3B | O3B | H63 | 60.5° | 60.2° |
| O5B | C1B | C2B | C3B | 60.5° | 57.6° |
| O5B | C1B | C2B | O1B | 121.4° | 119.9° |
| O5B | C1B | C2B | H52 | 117.9° | 120.1° |
| O5B | C1B | O1B | H52 | 118.2° | 120.1° |
| O5B | C1B | O1B | C4A | 89.9° | 73.8° |
| O5B | C1B | C2B | H53 | 179.3° | 62.4° |
| O5B | C1B | C2B | H54 | 59.6° | 177.6° |
| C1B | O5B | C5B | H56 | 62.2° | 58.9° |
| C3B | C2B | C1B | H53 | 120.2° | 120.0° |
| C3B | C2B | C1B | H54 | 120.1° | 120.0° |
| C3B | C2B | C1B | O1B | 60.9° | 62.4° |
| C3B | C2B | C1B | H52 | 178.4° | 177.7° |
| C3B | C2B | H53 | H54 | 119.5° | 120.1° |
| C2B | C3B | C4B | H55 | 65.2° | 62.9° |
| C2B | C3B | C7B | H60 | 57.6° | 60.0° |
| C2B | C3B | C7B | H61 | 177.6° | 180.0° |
| C2B | C3B | C7B | H62 | 62.4° | 60.0° |
| C2B | C3B | O3B | H63 | 60.7° | 60.1° |
| O3B | C3B | C2B | C1B | 62.6° | 62.8° |
| O3B | C3B | C2B | H53 | 57.5° | 177.2° |
| O3B | C3B | C2B | H54 | 177.2° | 57.1° |
| O3B | C3B | C4B | H55 | 174.8° | 177.3° |
| O3B | C3B | C7B | H60 | 61.2° | 60.2° |
| O3B | C3B | C7B | H61 | 58.8° | 59.8° |
| O3B | C3B | C7B | H62 | 178.8° | 179.8° |
| O1 | C1 | O2 | C2 | 168.1° | 180.0° |
| O1 | C1 | O2 | C15 | 1.1° | 0.1° |
| O1 | C1 | C2 | C3 | 74.4° | 59.7° |
| O1 | C1 | C2 | H17 | 46.2° | 179.5° |
| O1 | C1 | C2 | H16 | 164.9° | 60.4° |
| O7 | C17 | O6 | C3 | 4.8° | 4.5° |
| O7 | C17 | C18 | H19 | 0.0° | 5.4° |
| O7 | C17 | C18 | H20 | 120.0° | 114.6° |
| O7 | C17 | C18 | H21 | 120.0° | 125.4° |
| C17 | O6 | C3 | C2 | 101.6° | 91.5° |
| C17 | O6 | C3 | C4 | 134.4° | 148.4° |
| C17 | O6 | C3 | H18 | 16.0° | 28.3° |
| O6 | C17 | C18 | H19 | 179.5° | 174.7° |
| O6 | C17 | C18 | H20 | 59.5° | 65.3° |
| O6 | C17 | C18 | H21 | 60.5° | 54.7° |
| C2B | C1B | O1B | H52 | 120.0° | 120.0° |
| C2B | C1B | O1B | C4A | 148.2° | 166.3° |
| C1B | C2B | H53 | H54 | 119.5° | 120.1° |
| C1B | O1B | C4A | C5A | 54.3° | 86.4° |
| C1B | O1B | C4A | C3A | 73.9° | 153.9° |
| C1B | O1B | C4A | H43 | 168.5° | 33.8° |
| O1B | C1B | C2B | H53 | 59.3° | 177.7° |
| O1B | C1B | C2B | H54 | 179.0° | 57.6° |
| C6A | C5A | C4A | O1B | 66.0° | 62.5° |
| C6A | C5A | C4A | O5A | 124.9° | 120.0° |
| C6A | C5A | C4A | H44 | 120.9° | 120.0° |
| C6A | C5A | O5A | H44 | 113.5° | 120.1° |
| C6A | C5A | C4A | C3A | 167.6° | 177.6° |
| C6A | C5A | O5A | C1A | 167.0° | 178.9° |
| C6A | C5A | C4A | H43 | 48.2° | 57.7° |
| C5A | C6A | H45 | H47 | 120.0° | 120.0° |
| C5A | C6A | H45 | H46 | 120.0° | 120.0° |
| C5A | C6A | H47 | H46 | 120.0° | 120.0° |
| O6 | C3 | C2 | C1 | 64.2° | 15.1° |
| O6 | C3 | C2 | C4 | 124.0° | 120.1° |
| O6 | C3 | C2 | H18 | 118.8° | 119.9° |
| O6 | C3 | C4 | H18 | 119.4° | 120.0° |
| O6 | C3 | C4 | O5 | 68.3° | 111.4° |
| O6 | C3 | C4 | C5 | 51.5° | 8.6° |
| O6 | C3 | C2 | H17 | 56.5° | 135.0° |
| O6 | C3 | C2 | H16 | 175.1° | 105.0° |
| O6 | C3 | C4 | H22 | 173.2° | 128.5° |
| C16 | C15 | O2 | C1 | 92.8° | 69.9° |
| C16 | C15 | O2 | C14 | 123.1° | 120.0° |
| C16 | C15 | O2 | H12 | 119.0° | 119.9° |
| C16 | C15 | C14 | H12 | 117.5° | 120.0° |
| C16 | C15 | C14 | C13 | 178.2° | 3.6° |
| C16 | C15 | C14 | H11 | 57.6° | 116.4° |
| C16 | C15 | C14 | H10 | 61.2° | 123.6° |
| C15 | C16 | H14 | H13 | 120.0° | 120.1° |
| C15 | C16 | H14 | H15 | 120.0° | 120.0° |
| C15 | C16 | H13 | H15 | 120.0° | 119.9° |
| O4 | C21 | C20 | H30 | 121.3° | 120.1° |
| O4 | C21 | C20 | H7 | 121.4° | 119.9° |
| O4 | C21 | C20 | C6 | 35.2° | 180.0° |
| O4 | C21 | C20 | H28 | 86.2° | 60.0° |
| O4 | C21 | C20 | H29 | 156.7° | 60.0° |
| O4 | C21 | H30 | H7 | 115.8° | 120.0° |
| C1 | O2 | C15 | C14 | 144.2° | 170.1° |
| O2 | C1 | C2 | C3 | 93.9° | 120.4° |
| C1 | O2 | C15 | H12 | 26.3° | 50.0° |
| O2 | C1 | C2 | H17 | 145.4° | 0.5° |
| O2 | C1 | C2 | H16 | 26.8° | 119.6° |
| C2 | C1 | O2 | C15 | 169.2° | 179.9° |
| C1 | C2 | C3 | H17 | 120.7° | 119.9° |
| C1 | C2 | C3 | H16 | 120.7° | 120.1° |
| C1 | C2 | C3 | C4 | 171.8° | 105.0° |
| C1 | C2 | H17 | H16 | 117.9° | 120.1° |
| C1 | C2 | C3 | H18 | 54.6° | 135.0° |
| O2 | C15 | C14 | H12 | 118.6° | 120.0° |
| O2 | C15 | C14 | C13 | 54.4° | 123.7° |
| O2 | C15 | C14 | H11 | 66.2° | 3.6° |
| O2 | C15 | C14 | H10 | 175.0° | 116.4° |
| O2 | C15 | C16 | H14 | 180.0° | 54.1° |
| O2 | C15 | C16 | H13 | 60.0° | 174.1° |
| O2 | C15 | C16 | H15 | 60.0° | 66.0° |
| C15 | C14 | C13 | H11 | 120.6° | 120.0° |
| C15 | C14 | C13 | H10 | 120.6° | 120.0° |
| C15 | C14 | C13 | C12 | 91.2° | 88.9° |
| C15 | C14 | C13 | H8 | 146.9° | 151.2° |
| C15 | C14 | C13 | H5 | 30.7° | 31.1° |
| C15 | C14 | H11 | H10 | 118.2° | 120.0° |
| C14 | C15 | C16 | H14 | 57.0° | 174.1° |
| C14 | C15 | C16 | H13 | 63.0° | 65.8° |
| C14 | C15 | C16 | H15 | 177.0° | 54.1° |
| O1B | C4A | C5A | C3A | 126.4° | 119.9° |
| O1B | C4A | C5A | H43 | 114.2° | 120.2° |
| O1B | C4A | C5A | O5A | 169.1° | 177.5° |
| O1B | C4A | C3A | H43 | 117.1° | 120.1° |
| O1B | C4A | C3A | C2A | 159.9° | 176.9° |
| O1B | C4A | C3A | N3A | 81.4° | 63.2° |
| O1B | C4A | C3A | H42 | 37.6° | 57.0° |
| O1B | C4A | C5A | H44 | 54.9° | 57.5° |
| C4A | O1B | C1B | H52 | 28.2° | 46.3° |
| C4A | C5A | O5A | H44 | 114.0° | 120.0° |
| C5A | C4A | C3A | H43 | 118.9° | 119.9° |
| C4A | C5A | O5A | C1A | 60.5° | 61.2° |
| C5A | C4A | C3A | C2A | 36.0° | 57.0° |
| C5A | C4A | C3A | N3A | 154.6° | 176.8° |
| C5A | C4A | C3A | H42 | 86.4° | 62.9° |
| C4A | C5A | C6A | H45 | 180.0° | 54.7° |
| C4A | C5A | C6A | H47 | 60.0° | 174.7° |
| C4A | C5A | C6A | H46 | 60.0° | 65.3° |
| O5A | C5A | C4A | C3A | 42.7° | 57.6° |
| C5A | O5A | C1A | O1A | 170.9° | 178.9° |
| C5A | O5A | C1A | C2A | 72.9° | 61.2° |
| C5A | O5A | C1A | H40 | 49.0° | 58.8° |
| O5A | C5A | C4A | H43 | 76.7° | 62.3° |
| O5A | C5A | C6A | H45 | 53.5° | 65.3° |
| O5A | C5A | C6A | H47 | 173.5° | 54.8° |
| O5A | C5A | C6A | H46 | 66.5° | 174.8° |
| C2 | C3 | C4 | H18 | 117.1° | 119.9° |
| C2 | C3 | C4 | O5 | 55.1° | 8.6° |
| C2 | C3 | C4 | C5 | 174.9° | 128.6° |
| C3 | C2 | H17 | H16 | 117.8° | 120.1° |
| C2 | C3 | C4 | H22 | 63.3° | 111.4° |
| C14 | C13 | C12 | H8 | 121.9° | 120.0° |
| C14 | C13 | C12 | H5 | 121.9° | 120.0° |
| C14 | C13 | C12 | C11 | 164.3° | 133.2° |
| C14 | C13 | C12 | H6 | 15.7° | 46.6° |
| C14 | C13 | H8 | H5 | 113.7° | 120.0° |
| C13 | C14 | H11 | H10 | 118.2° | 120.0° |
| C13 | C14 | C15 | H12 | 64.3° | 116.3° |
| C3 | C4 | O5 | C5 | 123.8° | 119.9° |
| C3 | C4 | O5 | H22 | 117.4° | 120.0° |
| C3 | C4 | O5 | C19 | 120.7° | 97.7° |
| C3 | C4 | C5 | H22 | 121.8° | 120.0° |
| C3 | C4 | C5 | C6 | 70.2° | 161.5° |
| C3 | C4 | C5 | O1A | 166.0° | 41.5° |
| C4 | C3 | C2 | H17 | 67.5° | 14.9° |
| C4 | C3 | C2 | H16 | 51.1° | 135.0° |
| C3 | C4 | C5 | H26 | 46.6° | 78.5° |
| C21 | C20 | C6 | C5 | 46.4° | 175.0° |
| C21 | C20 | C6 | H28 | 121.5° | 120.0° |
| C21 | C20 | C6 | H29 | 121.5° | 120.0° |
| C21 | C20 | C6 | C7 | 171.8° | 65.0° |
| C21 | C20 | C6 | H27 | 70.7° | 55.1° |
| C21 | C20 | H28 | H29 | 115.3° | 120.0° |
| C20 | C21 | H30 | H7 | 115.8° | 120.0° |
| C20 | C21 | O4 | H9 | 180.0° | 180.0° |
| C4A | C3A | C2A | C1A | 44.4° | 57.0° |
| C4A | C3A | C2A | N3A | 121.2° | 119.9° |
| C4A | C3A | C2A | H42 | 122.6° | 120.0° |
| C4A | C3A | N3A | H42 | 119.3° | 120.3° |
| C4A | C3A | N3A | C59 | 86.0° | 83.2° |
| C4A | C3A | C2A | O2A | 159.4° | 176.9° |
| C4A | C3A | N3A | C7A | 49.8° | 40.8° |
| C4A | C3A | C2A | H41 | 74.9° | 62.9° |
| C3A | C4A | C5A | H44 | 71.5° | 62.4° |
| C13 | C12 | C11 | H6 | 180.0° | 179.8° |
| C13 | C12 | C11 | C10 | 167.5° | 179.8° |
| C13 | C12 | C11 | H4 | 12.5° | 0.3° |
| C12 | C13 | H8 | H5 | 113.7° | 120.0° |
| C12 | C13 | C14 | H11 | 29.4° | 31.1° |
| C12 | C13 | C14 | H10 | 148.2° | 151.1° |
| O5A | C1A | O1A | C2A | 117.5° | 119.9° |
| O5A | C1A | O1A | H40 | 122.6° | 120.0° |
| O5A | C1A | C2A | H40 | 122.9° | 120.0° |
| O5A | C1A | O1A | C5 | 68.3° | 42.8° |
| O5A | C1A | C2A | C3A | 64.7° | 57.6° |
| O5A | C1A | C2A | O2A | 173.0° | 177.5° |
| O5A | C1A | C2A | H41 | 54.6° | 62.3° |
| C1A | O5A | C5A | H44 | 53.5° | 58.8° |
| O5 | C4 | C5 | H22 | 119.9° | 120.1° |
| O5 | C4 | C5 | C6 | 171.5° | 41.6° |
| O5 | C4 | C5 | O1A | 47.8° | 78.4° |
| O5 | C4 | C3 | H18 | 172.2° | 128.5° |
| C4 | O5 | C19 | H23 | 180.0° | 54.8° |
| C4 | O5 | C19 | H24 | 60.0° | 65.2° |
| C4 | O5 | C19 | H25 | 60.0° | 174.7° |
| O5 | C4 | C5 | H26 | 71.7° | 161.5° |
| C19 | O5 | C4 | C5 | 115.5° | 142.4° |
| C19 | O5 | C4 | H22 | 3.3° | 22.3° |
| O5 | C19 | H23 | H24 | 120.0° | 120.0° |
| O5 | C19 | H23 | H25 | 120.0° | 120.0° |
| O5 | C19 | H24 | H25 | 120.0° | 120.0° |
| C4 | C5 | O1A | C1A | 98.3° | 141.8° |
| C4 | C5 | C6 | O1A | 126.9° | 120.0° |
| C4 | C5 | C6 | H26 | 117.1° | 120.0° |
| C4 | C5 | O1A | H26 | 118.8° | 120.0° |
| C4 | C5 | C6 | C20 | 170.6° | 103.7° |
| C4 | C5 | C6 | C7 | 66.4° | 136.3° |
| C5 | C4 | C3 | H18 | 68.0° | 111.5° |
| C4 | C5 | C6 | H27 | 53.1° | 16.3° |
| O1A | C1A | C2A | H40 | 120.1° | 120.1° |
| C1A | O1A | C5 | C6 | 135.2° | 98.2° |
| O1A | C1A | C2A | C3A | 178.3° | 177.6° |
| O1A | C1A | C2A | O2A | 56.0° | 62.5° |
| C1A | O1A | C5 | H26 | 20.5° | 21.8° |
| O1A | C1A | C2A | H41 | 62.4° | 57.6° |
| C2A | C1A | O1A | C5 | 174.1° | 162.8° |
| C1A | C2A | C3A | O2A | 115.0° | 119.9° |
| C1A | C2A | C3A | H41 | 119.2° | 120.0° |
| C1A | C2A | C3A | N3A | 165.6° | 176.9° |
| C1A | C2A | O2A | H41 | 116.9° | 120.1° |
| C1A | C2A | O2A | P59 | 138.5° | 144.3° |
| C1A | C2A | C3A | H42 | 78.2° | 63.0° |
| C6 | C5 | O1A | H26 | 114.8° | 120.0° |
| C5 | C6 | C20 | C7 | 125.4° | 120.0° |
| C5 | C6 | C20 | H27 | 117.1° | 119.9° |
| C5 | C6 | C7 | H27 | 119.1° | 119.9° |
| C5 | C6 | C7 | C8 | 174.4° | 96.5° |
| C6 | C5 | C4 | H22 | 51.6° | 78.5° |
| C5 | C6 | C20 | H28 | 167.8° | 55.0° |
| C5 | C6 | C20 | H29 | 75.1° | 65.0° |
| C5 | C6 | C7 | H33 | 53.9° | 143.6° |
| C5 | C6 | C7 | H32 | 65.0° | 23.6° |
| O1A | C5 | C6 | C20 | 62.5° | 136.3° |
| O1A | C5 | C6 | C7 | 60.6° | 16.3° |
| O1A | C5 | C4 | H22 | 72.1° | 161.5° |
| O1A | C5 | C6 | H27 | 179.9° | 103.7° |
| C5 | O1A | C1A | H40 | 54.3° | 77.2° |
| C2A | C3A | N3A | H42 | 116.2° | 120.1° |
| C2A | C3A | N3A | C59 | 149.4° | 157.3° |
| C3A | C2A | O2A | H41 | 124.8° | 120.2° |
| C2A | C3A | N3A | C7A | 74.8° | 78.8° |
| C3A | C2A | O2A | P59 | 103.2° | 24.6° |
| C3A | C2A | C1A | H40 | 58.1° | 62.4° |
| C2A | C3A | C4A | H43 | 83.0° | 62.9° |
| C3A | N3A | C59 | C7A | 139.4° | 123.9° |
| N3A | C3A | C2A | O2A | 79.4° | 63.2° |
| N3A | C3A | C2A | H41 | 46.3° | 56.9° |
| N3A | C3A | C4A | H43 | 35.7° | 56.9° |
| C3A | N3A | C7A | H50 | 180.0° | 56.5° |
| C3A | N3A | C7A | H48 | 60.0° | 176.5° |
| C3A | N3A | C7A | H49 | 60.0° | 63.5° |
| C3A | N3A | C59 | H75 | 180.0° | 58.6° |
| C3A | N3A | C59 | H76 | 60.0° | 178.6° |
| C3A | N3A | C59 | H77 | 60.0° | 61.4° |
| C12 | C11 | C10 | H4 | 180.0° | 179.9° |
| C12 | C11 | C10 | C9 | 179.6° | 122.5° |
| C12 | C11 | C10 | H2 | 57.9° | 2.4° |
| C12 | C11 | C10 | H3 | 58.7° | 117.5° |
| C11 | C12 | C13 | H8 | 73.8° | 106.8° |
| C11 | C12 | C13 | H5 | 42.4° | 13.2° |
| C20 | C6 | C7 | H27 | 117.3° | 120.1° |
| C20 | C6 | C7 | C8 | 50.9° | 143.5° |
| C20 | C6 | C5 | H26 | 53.4° | 16.3° |
| C6 | C20 | H28 | H29 | 115.3° | 120.0° |
| C6 | C20 | C21 | H30 | 156.5° | 59.9° |
| C6 | C20 | C21 | H7 | 86.1° | 60.1° |
| C20 | C6 | C7 | H33 | 69.7° | 23.6° |
| C20 | C6 | C7 | H32 | 171.4° | 96.4° |
| C11 | C10 | C9 | H2 | 121.7° | 120.0° |
| C11 | C10 | C9 | H3 | 121.8° | 120.0° |
| C11 | C10 | C9 | O3 | 108.9° | 32.1° |
| C11 | C10 | C9 | C8 | 126.5° | 88.0° |
| C11 | C10 | C9 | H1 | 8.2° | 152.1° |
| C11 | C10 | H2 | H3 | 114.3° | 119.9° |
| C10 | C11 | C12 | H6 | 12.5° | 0.0° |
| C6 | C7 | C8 | C9 | 58.7° | 176.8° |
| C6 | C7 | C8 | H33 | 120.5° | 120.0° |
| C6 | C7 | C8 | H32 | 120.5° | 120.0° |
| C6 | C7 | C8 | C22 | 175.6° | 63.1° |
| C7 | C6 | C5 | H26 | 176.5° | 103.7° |
| C7 | C6 | C20 | H28 | 66.7° | 175.0° |
| C7 | C6 | C20 | H29 | 50.4° | 55.0° |
| C6 | C7 | H33 | H32 | 118.3° | 120.0° |
| C6 | C7 | C8 | H34 | 59.5° | 56.9° |
| C59 | N3A | C3A | H42 | 33.3° | 37.2° |
| C59 | N3A | C7A | H50 | 44.8° | 67.4° |
| C59 | N3A | C7A | H48 | 164.8° | 52.6° |
| C59 | N3A | C7A | H49 | 75.3° | 172.6° |
| N3A | C59 | H75 | H76 | 120.0° | 120.0° |
| N3A | C59 | H75 | H77 | 120.0° | 120.0° |
| N3A | C59 | H76 | H77 | 120.0° | 120.0° |
| C2A | O2A | P59 | O60 | 51.5° | 58.5° |
| C2A | O2A | P59 | O62 | 169.1° | 61.5° |
| C2A | O2A | P59 | O61 | 69.9° | 178.6° |
| O2A | C2A | C1A | H40 | 64.2° | 57.5° |
| O2A | C2A | C3A | H42 | 36.8° | 56.9° |
| C7A | N3A | C3A | H42 | 169.0° | 161.1° |
| N3A | C7A | H50 | H48 | 120.0° | 120.0° |
| N3A | C7A | H50 | H49 | 120.0° | 120.0° |
| N3A | C7A | H48 | H49 | 120.0° | 120.0° |
| C7A | N3A | C59 | H75 | 40.6° | 177.5° |
| C7A | N3A | C59 | H76 | 79.4° | 57.5° |
| C7A | N3A | C59 | H77 | 160.6° | 62.5° |
| O2A | P59 | O60 | O62 | 117.3° | 120.0° |
| O2A | P59 | O60 | O61 | 120.8° | 120.0° |
| O2A | P59 | O62 | O61 | 122.0° | 120.0° |
| P59 | O2A | C2A | H41 | 21.6° | 95.6° |
| O2A | P59 | O61 | H39 | 117.3° | 175.0° |
| O2A | P59 | O62 | H51 | 114.8° | 55.0° |
| C10 | C9 | O3 | C8 | 125.8° | 120.0° |
| C10 | C9 | O3 | H1 | 116.3° | 120.0° |
| C10 | C9 | C8 | H1 | 118.5° | 120.0° |
| C10 | C9 | C8 | C7 | 50.6° | 179.4° |
| C10 | C9 | C8 | C22 | 74.0° | 59.4° |
| C9 | C10 | H2 | H3 | 114.3° | 120.1° |
| C9 | C10 | C11 | H4 | 0.4° | 57.6° |
| C10 | C9 | C8 | H34 | 168.7° | 60.6° |
| C10 | C9 | O3 | H38 | 180.0° | 60.0° |
| O3 | C9 | C8 | H1 | 119.0° | 120.0° |
| O3 | C9 | C8 | C7 | 173.1° | 60.5° |
| O3 | C9 | C8 | C22 | 48.5° | 179.4° |
| O3 | C9 | C10 | H2 | 129.4° | 152.1° |
| O3 | C9 | C10 | H3 | 12.9° | 87.9° |
| O3 | C9 | C8 | H34 | 68.8° | 59.5° |
| C9 | C8 | C7 | C22 | 125.8° | 120.0° |
| C9 | C8 | C7 | H34 | 118.1° | 120.0° |
| C9 | C8 | C22 | H34 | 117.0° | 119.9° |
| C8 | C9 | C10 | H2 | 4.7° | 32.0° |
| C8 | C9 | C10 | H3 | 111.8° | 152.1° |
| C9 | C8 | C7 | H33 | 179.2° | 63.2° |
| C9 | C8 | C7 | H32 | 61.9° | 56.8° |
| C9 | C8 | C22 | H36 | 180.0° | 65.3° |
| C9 | C8 | C22 | H35 | 60.0° | 174.7° |
| C9 | C8 | C22 | H37 | 60.0° | 54.7° |
| C8 | C9 | O3 | H38 | 54.2° | 180.0° |
| C7 | C8 | C22 | H34 | 115.8° | 120.0° |
| C7 | C8 | C9 | H1 | 67.9° | 59.4° |
| C8 | C7 | C6 | H27 | 66.4° | 23.5° |
| C8 | C7 | H33 | H32 | 118.3° | 120.0° |
| C7 | C8 | C22 | H36 | 52.8° | 174.6° |
| C7 | C8 | C22 | H35 | 67.2° | 54.7° |
| C7 | C8 | C22 | H37 | 172.8° | 65.3° |
| C22 | C8 | C9 | H1 | 167.5° | 60.6° |
| C22 | C8 | C7 | H33 | 55.0° | 56.8° |
| C22 | C8 | C7 | H32 | 63.9° | 176.8° |
| C8 | C22 | H36 | H35 | 120.0° | 120.0° |
| C8 | C22 | H36 | H37 | 120.0° | 120.1° |
| C8 | C22 | H35 | H37 | 120.0° | 120.0° |
| O60 | P59 | O62 | O61 | 123.2° | 120.0° |
| O60 | P59 | O61 | H39 | 0.0° | 65.0° |
| O60 | P59 | O62 | H51 | 0.0° | 175.0° |
| O62 | P59 | O61 | H39 | 121.8° | 55.0° |
| O61 | P59 | O62 | H51 | 123.2° | 65.0° |
| H1 | C9 | C10 | H2 | 113.5° | 87.9° |
| H1 | C9 | C10 | H3 | 130.0° | 32.1° |
| H1 | C9 | C8 | H34 | 50.3° | 179.4° |
| H1 | C9 | O3 | H38 | 63.7° | 60.0° |
| H2 | C10 | C11 | H4 | 122.1° | 177.7° |
| H3 | C10 | C11 | H4 | 121.4° | 62.4° |
| H4 | C11 | C12 | H6 | 167.5° | 179.9° |
| H6 | C12 | C13 | H8 | 106.2° | 73.3° |
| H6 | C12 | C13 | H5 | 137.6° | 166.6° |
| H8 | C13 | C14 | H11 | 92.5° | 88.8° |
| H8 | C13 | C14 | H10 | 26.3° | 31.2° |
| H5 | C13 | C14 | H11 | 151.3° | 151.1° |
| H5 | C13 | C14 | H10 | 89.9° | 88.8° |
| H11 | C14 | C15 | H12 | 175.2° | 123.6° |
| H10 | C14 | C15 | H12 | 56.3° | 3.6° |
| H12 | C15 | C16 | H14 | 60.4° | 65.9° |
| H12 | C15 | C16 | H13 | 179.6° | 54.1° |
| H12 | C15 | C16 | H15 | 59.7° | 174.1° |
| H14 | C16 | H13 | H15 | 120.0° | 120.0° |
| H17 | C2 | C3 | H18 | 175.3° | 105.1° |
| H16 | C2 | C3 | H18 | 66.1° | 14.9° |
| H18 | C3 | C4 | H22 | 53.8° | 8.5° |
| H19 | C18 | H20 | H21 | 120.0° | 120.1° |
| H22 | C4 | C5 | H26 | 168.4° | 41.4° |
| H23 | C19 | H24 | H25 | 120.0° | 119.9° |
| H26 | C5 | C6 | H27 | 64.0° | 136.3° |
| H27 | C6 | C20 | H28 | 50.7° | 65.0° |
| H27 | C6 | C20 | H29 | 167.8° | 175.1° |
| H27 | C6 | C7 | H33 | 173.0° | 96.5° |
| H27 | C6 | C7 | H32 | 54.1° | 143.5° |
| H28 | C20 | C21 | H30 | 35.1° | 180.0° |
| H28 | C20 | C21 | H7 | 152.4° | 60.0° |
| H29 | C20 | C21 | H30 | 82.0° | 60.1° |
| H29 | C20 | C21 | H7 | 35.3° | 179.9° |
| H30 | C21 | O4 | H9 | 58.7° | 60.0° |
| H7 | C21 | O4 | H9 | 58.6° | 60.0° |
| H33 | C7 | C8 | H34 | 61.1° | 176.8° |
| H32 | C7 | C8 | H34 | 180.0° | 63.2° |
| H34 | C8 | C22 | H36 | 63.0° | 54.6° |
| H34 | C8 | C22 | H35 | 177.0° | 65.4° |
| H34 | C8 | C22 | H37 | 57.0° | 174.7° |
| H36 | C22 | H35 | H37 | 120.0° | 120.0° |
| H40 | C1A | C2A | H41 | 177.5° | 177.7° |
| H41 | C2A | C3A | H42 | 162.5° | 177.1° |
| H42 | C3A | C4A | H43 | 154.7° | 177.2° |
| H43 | C4A | C5A | H44 | 169.1° | 177.7° |
| H44 | C5A | C6A | H45 | 59.5° | 174.7° |
| H44 | C5A | C6A | H47 | 60.5° | 65.3° |
| H44 | C5A | C6A | H46 | 179.5° | 54.7° |
| H45 | C6A | H47 | H46 | 120.0° | 120.0° |
| H50 | C7A | H48 | H49 | 120.0° | 120.0° |
| H52 | C1B | C2B | H53 | 61.4° | 57.7° |
| H52 | C1B | C2B | H54 | 58.3° | 62.4° |
| H55 | C4B | C5B | H56 | 174.0° | 177.7° |
| H56 | C5B | C6B | H59 | 59.4° | 60.0° |
| H56 | C5B | C6B | H57 | 179.4° | 60.0° |
| H56 | C5B | C6B | H58 | 60.6° | 179.9° |
| H59 | C6B | H57 | H58 | 120.0° | 120.0° |
| H60 | C7B | H61 | H62 | 120.0° | 120.0° |
| H65 | C2C | C3C | H67 | 77.8° | 175.0° |
| H66 | C2C | C3C | H67 | 164.1° | 65.0° |
| H67 | C3C | C4C | H69 | 65.7° | 60.0° |
| H67 | C3C | C4C | H68 | 174.3° | 59.9° |
| H67 | C3C | C4C | H70 | 54.3° | 180.0° |
| H67 | C3C | C5C | H72 | 64.4° | 60.0° |
| H67 | C3C | C5C | H71 | 55.5° | 60.0° |
| H67 | C3C | C5C | H73 | 175.6° | 180.0° |
| H69 | C4C | H68 | H70 | 120.0° | 120.0° |
| H72 | C5C | H71 | H73 | 120.0° | 120.0° |
| H75 | C59 | H76 | H77 | 120.0° | 120.0° |
