9QQ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C46 | C12 | sing | 1.53Å | 1.53Å | |
| C53 | C15 | sing | 1.51Å | 1.50Å | |
| C13 | C48 | sing | 1.53Å | 1.54Å | |
| C13 | C12 | sing | 1.56Å | 1.55Å | |
| C13 | C14 | sing | 1.51Å | 1.57Å | |
| C54 | C17 | sing | 1.53Å | 1.54Å | |
| C48 | C49 | sing | 1.53Å | 1.54Å | |
| O51 | C50 | doub | 1.21Å | 1.24Å | |
| C12 | C47 | sing | 1.53Å | 1.54Å | |
| C12 | C11 | sing | 1.51Å | 1.52Å | |
| C15 | C14 | doub | 1.38Å | 1.37Å | |
| C15 | C16 | sing | 1.42Å | 1.50Å | |
| C14 | N23 | sing | 1.35Å | 1.43Å | |
| C17 | C16 | sing | 1.50Å | 1.53Å | |
| C17 | C55 | sing | 1.53Å | 1.55Å | |
| C17 | C18 | sing | 1.57Å | 1.54Å | |
| C11 | N23 | doub | 1.33Å | 1.35Å | |
| C11 | C10 | sing | 1.40Å | 1.39Å | |
| C16 | N24 | doub | 1.31Å | 1.31Å | |
| C50 | C49 | sing | 1.51Å | 1.51Å | |
| C50 | N52 | sing | 1.35Å | 1.33Å | |
| N23 | CO | sing | 1.78Å | 1.92Å | |
| C55 | C56 | sing | 1.53Å | 1.53Å | |
| C10 | C9 | doub | 1.39Å | 1.40Å | |
| N24 | CO | sing | 1.79Å | 1.89Å | |
| N24 | C19 | sing | 1.46Å | 1.49Å | |
| N40 | C38 | sing | 1.35Å | 1.32Å | |
| N62 | C61 | sing | 1.35Å | 1.33Å | |
| O58 | C57 | doub | 1.21Å | 1.23Å | |
| C37 | C38 | sing | 1.51Å | 1.54Å | |
| C37 | C7 | sing | 1.53Å | 1.54Å | |
| C38 | O39 | doub | 1.21Å | 1.23Å | |
| CO | N22 | sing | 1.78Å | 1.92Å | |
| CO | N21 | sing | 1.78Å | 1.88Å | |
| C60 | C18 | sing | 1.53Å | 1.54Å | |
| C60 | C61 | sing | 1.51Å | 1.51Å | |
| C18 | C19 | sing | 1.55Å | 1.54Å | |
| C57 | C56 | sing | 1.51Å | 1.51Å | |
| C57 | N59 | sing | 1.35Å | 1.33Å | |
| C19 | C1 | sing | 1.55Å | 1.58Å | |
| C9 | N22 | sing | 1.34Å | 1.37Å | |
| C9 | C8 | sing | 1.51Å | 1.51Å | |
| C1P | N59 | sing | 1.46Å | 1.46Å | |
| C1P | C2P | sing | 1.53Å | 1.55Å | |
| N29 | C27 | sing | 1.35Å | 1.33Å | |
| C61 | O63 | doub | 1.21Å | 1.24Å | |
| N22 | C6 | doub | 1.33Å | 1.40Å | |
| C8 | C7 | sing | 1.55Å | 1.55Å | |
| C8 | C41 | sing | 1.53Å | 1.54Å | |
| C26 | C27 | sing | 1.51Å | 1.54Å | |
| C26 | C2 | sing | 1.53Å | 1.54Å | |
| C7 | C6 | sing | 1.51Å | 1.53Å | |
| C7 | C36 | sing | 1.53Å | 1.55Å | |
| C6 | C5 | sing | 1.42Å | 1.39Å | |
| N21 | C1 | sing | 1.45Å | 1.46Å | |
| N21 | C4 | sing | 1.36Å | 1.31Å | |
| C27 | O28 | doub | 1.21Å | 1.23Å | |
| C1 | C2 | sing | 1.54Å | 1.58Å | |
| C1 | C20 | sing | 1.53Å | 1.52Å | |
| C2P | O3 | sing | 1.43Å | 1.41Å | |
| O8R | C5R | sing | 1.43Å | 1.43Å | |
| C5 | C4 | doub | 1.37Å | 1.54Å | |
| C5 | C35 | sing | 1.51Å | 1.50Å | |
| C4 | C3 | sing | 1.49Å | 1.51Å | |
| C2 | C3 | sing | 1.57Å | 1.58Å | |
| C2 | C25 | sing | 1.53Å | 1.54Å | |
| O3 | P | sing | 1.61Å | 1.62Å | |
| C41 | C42 | sing | 1.53Å | 1.53Å | |
| C3 | C30 | sing | 1.53Å | 1.54Å | |
| C5R | C4R | sing | 1.53Å | 1.51Å | |
| C42 | C43 | sing | 1.51Å | 1.52Å | |
| P | O5 | doub | 1.48Å | 1.51Å | |
| P | O4 | sing | 1.61Å | 1.47Å | |
| P | O2 | sing | 1.61Å | 1.61Å | |
| O44 | C43 | doub | 1.21Å | 1.23Å | |
| C43 | N45 | sing | 1.35Å | 1.32Å | |
| C4R | C3R | sing | 1.54Å | 1.53Å | |
| C4R | O6R | sing | 1.44Å | 1.44Å | |
| C30 | C31 | sing | 1.53Å | 1.53Å | |
| C3R | O2 | sing | 1.43Å | 1.41Å | |
| C3R | C2R | sing | 1.55Å | 1.52Å | |
| O6R | C1R | sing | 1.44Å | 1.42Å | |
| C31 | C32 | sing | 1.51Å | 1.51Å | |
| C2R | C1R | sing | 1.54Å | 1.53Å | |
| C2R | O7R | sing | 1.43Å | 1.43Å | |
| C1R | N1B | sing | 1.47Å | 1.46Å | |
| C2B | N1B | sing | 1.36Å | 1.37Å | Aromatic |
| C2B | N3B | doub | 1.30Å | 1.31Å | Aromatic |
| C32 | O34 | doub | 1.21Å | 1.23Å | |
| C32 | N33 | sing | 1.35Å | 1.33Å | |
| N1B | C8B | sing | 1.38Å | 1.38Å | Aromatic |
| N3B | C9B | sing | 1.36Å | 1.39Å | Aromatic |
| C8B | C9B | doub | 1.40Å | 1.39Å | Aromatic |
| C8B | C7B | sing | 1.39Å | 1.39Å | Aromatic |
| C9B | C4B | sing | 1.40Å | 1.39Å | Aromatic |
| C7B | C6B | doub | 1.38Å | 1.39Å | Aromatic |
| C4B | C5B | doub | 1.36Å | 1.39Å | Aromatic |
| C6B | C5B | sing | 1.39Å | 1.42Å | Aromatic |
| C6B | O6M | sing | 1.36Å | 1.37Å | |
| C20 | H1 | sing | 1.09Å | 1.10Å | |
| C20 | H2 | sing | 1.09Å | 1.10Å | |
| C20 | H3 | sing | 1.09Å | 1.10Å | |
| C25 | H4 | sing | 1.09Å | 1.10Å | |
| C25 | H5 | sing | 1.09Å | 1.10Å | |
| C25 | H6 | sing | 1.09Å | 1.10Å | |
| C26 | H7 | sing | 1.09Å | 1.10Å | |
| C26 | H8 | sing | 1.09Å | 1.10Å | |
| N29 | H9 | sing | 0.97Å | 1.00Å | |
| N29 | H10 | sing | 0.97Å | 1.00Å | |
| C3 | H11 | sing | 1.09Å | 1.10Å | |
| C30 | H12 | sing | 1.09Å | 1.10Å | |
| C30 | H13 | sing | 1.09Å | 1.10Å | |
| C31 | H14 | sing | 1.09Å | 1.10Å | |
| C31 | H15 | sing | 1.09Å | 1.10Å | |
| N33 | H16 | sing | 0.97Å | 1.00Å | |
| N33 | H17 | sing | 0.97Å | 1.00Å | |
| C35 | H18 | sing | 1.09Å | 1.10Å | |
| C35 | H19 | sing | 1.09Å | 1.10Å | |
| C35 | H20 | sing | 1.09Å | 1.10Å | |
| C36 | H21 | sing | 1.09Å | 1.10Å | |
| C36 | H22 | sing | 1.09Å | 1.10Å | |
| C36 | H23 | sing | 1.09Å | 1.10Å | |
| C37 | H24 | sing | 1.09Å | 1.10Å | |
| C37 | H25 | sing | 1.09Å | 1.10Å | |
| N40 | H26 | sing | 0.97Å | 1.00Å | |
| N40 | H27 | sing | 0.97Å | 1.00Å | |
| C8 | H28 | sing | 1.09Å | 1.10Å | |
| C41 | H29 | sing | 1.09Å | 1.10Å | |
| C41 | H30 | sing | 1.09Å | 1.10Å | |
| C42 | H31 | sing | 1.09Å | 1.10Å | |
| C42 | H32 | sing | 1.09Å | 1.10Å | |
| N45 | H33 | sing | 0.97Å | 1.00Å | |
| N45 | H34 | sing | 0.97Å | 1.00Å | |
| C10 | H35 | sing | 1.08Å | 1.08Å | |
| C46 | H36 | sing | 1.09Å | 1.10Å | |
| C46 | H37 | sing | 1.09Å | 1.10Å | |
| C46 | H38 | sing | 1.09Å | 1.10Å | |
| C47 | H39 | sing | 1.09Å | 1.10Å | |
| C47 | H40 | sing | 1.09Å | 1.10Å | |
| C47 | H41 | sing | 1.09Å | 1.10Å | |
| C13 | H42 | sing | 1.09Å | 1.10Å | |
| C48 | H43 | sing | 1.09Å | 1.10Å | |
| C48 | H44 | sing | 1.09Å | 1.10Å | |
| C49 | H45 | sing | 1.09Å | 1.10Å | |
| C49 | H46 | sing | 1.09Å | 1.10Å | |
| N52 | H47 | sing | 0.97Å | 1.00Å | |
| N52 | H48 | sing | 0.97Å | 1.00Å | |
| C53 | H49 | sing | 1.09Å | 1.10Å | |
| C53 | H50 | sing | 1.09Å | 1.10Å | |
| C53 | H51 | sing | 1.09Å | 1.10Å | |
| C54 | H52 | sing | 1.09Å | 1.10Å | |
| C54 | H53 | sing | 1.09Å | 1.10Å | |
| C54 | H54 | sing | 1.09Å | 1.10Å | |
| C55 | H55 | sing | 1.09Å | 1.10Å | |
| C55 | H56 | sing | 1.09Å | 1.10Å | |
| C56 | H57 | sing | 1.09Å | 1.10Å | |
| C56 | H58 | sing | 1.09Å | 1.10Å | |
| N59 | H59 | sing | 0.97Å | 1.00Å | |
| C18 | H60 | sing | 1.09Å | 1.10Å | |
| C60 | H61 | sing | 1.09Å | 1.10Å | |
| C60 | H62 | sing | 1.09Å | 1.10Å | |
| N62 | H63 | sing | 0.97Å | 1.00Å | |
| N62 | H64 | sing | 0.97Å | 1.00Å | |
| C19 | H65 | sing | 1.09Å | 1.10Å | |
| C1P | H66 | sing | 1.09Å | 1.10Å | |
| C1P | H67 | sing | 1.09Å | 1.10Å | |
| C2P | H68 | sing | 1.09Å | 1.10Å | |
| C2P | H69 | sing | 1.09Å | 1.10Å | |
| O4 | H70 | sing | 0.97Å | 0.95Å | |
| C3R | H71 | sing | 1.09Å | 1.10Å | |
| C2R | H72 | sing | 1.09Å | 1.10Å | |
| O7R | H73 | sing | 0.97Å | 0.95Å | |
| C1R | H74 | sing | 1.09Å | 1.10Å | |
| C4R | H75 | sing | 1.09Å | 1.10Å | |
| C5R | H76 | sing | 1.09Å | 1.10Å | |
| C5R | H77 | sing | 1.09Å | 1.10Å | |
| O8R | H78 | sing | 0.97Å | 0.95Å | |
| C2B | H79 | sing | 1.08Å | 1.08Å | |
| C4B | H80 | sing | 1.08Å | 1.08Å | |
| C5B | H81 | sing | 1.08Å | 1.08Å | |
| C7B | H82 | sing | 1.08Å | 1.08Å | |
| O6M | H83 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C46 | C12 | C13 | 108.0° | 110.9° |
| C46 | C12 | C47 | 109.2° | 110.6° |
| C46 | C12 | C11 | 111.5° | 110.7° |
| C12 | C46 | H36 | 109.5° | 109.5° |
| C12 | C46 | H37 | 109.5° | 109.5° |
| C12 | C46 | H38 | 109.5° | 109.4° |
| C53 | C15 | C14 | 121.3° | 117.6° |
| C53 | C15 | C16 | 117.6° | 117.6° |
| C15 | C53 | H49 | 109.5° | 109.5° |
| C15 | C53 | H50 | 109.5° | 109.4° |
| C15 | C53 | H51 | 109.5° | 109.5° |
| C48 | C13 | C12 | 114.0° | 111.0° |
| C48 | C13 | C14 | 117.6° | 110.9° |
| C13 | C48 | C49 | 116.3° | 109.5° |
| C48 | C13 | H42 | 107.7° | 110.8° |
| C13 | C48 | H43 | 107.7° | 109.4° |
| C13 | C48 | H44 | 107.7° | 109.5° |
| C12 | C13 | C14 | 102.2° | 102.0° |
| C13 | C12 | C47 | 115.0° | 110.7° |
| C13 | C12 | C11 | 104.6° | 102.9° |
| C12 | C13 | H42 | 107.5° | 110.9° |
| C13 | C14 | C15 | 122.1° | 129.8° |
| C13 | C14 | N23 | 110.0° | 104.0° |
| C14 | C13 | H42 | 107.3° | 110.9° |
| C54 | C17 | C16 | 109.7° | 111.0° |
| C54 | C17 | C55 | 109.0° | 110.9° |
| C54 | C17 | C18 | 112.5° | 111.0° |
| C17 | C54 | H52 | 109.5° | 109.5° |
| C17 | C54 | H53 | 109.4° | 109.5° |
| C17 | C54 | H54 | 109.5° | 109.4° |
| C48 | C49 | C50 | 112.2° | 109.5° |
| C49 | C48 | H43 | 107.7° | 109.5° |
| C49 | C48 | H44 | 107.7° | 109.5° |
| C48 | C49 | H45 | 108.8° | 109.5° |
| C48 | C49 | H46 | 108.8° | 109.5° |
| O51 | C50 | C49 | 121.0° | 120.0° |
| O51 | C50 | N52 | 122.7° | 120.0° |
| C47 | C12 | C11 | 108.5° | 110.7° |
| C12 | C47 | H39 | 109.5° | 109.5° |
| C12 | C47 | H40 | 109.5° | 109.4° |
| C12 | C47 | H41 | 109.4° | 109.5° |
| C12 | C11 | N23 | 113.6° | 106.5° |
| C12 | C11 | C10 | 121.9° | 129.9° |
| C14 | C15 | C16 | 121.1° | 124.8° |
| C15 | C14 | N23 | 127.6° | 125.5° |
| C15 | C16 | C17 | 127.3° | 134.8° |
| C15 | C16 | N24 | 118.8° | 117.3° |
| C14 | N23 | C11 | 109.5° | 112.7° |
| C14 | N23 | CO | 125.1° | 120.9° |
| C16 | C17 | C55 | 118.0° | 111.0° |
| C16 | C17 | C18 | 99.7° | 101.6° |
| C17 | C16 | N24 | 113.7° | 105.7° |
| C55 | C17 | C18 | 107.7° | 111.0° |
| C17 | C55 | C56 | 114.4° | 109.5° |
| C17 | C55 | H55 | 108.2° | 109.5° |
| C17 | C55 | H56 | 108.2° | 109.5° |
| C17 | C18 | C60 | 115.3° | 111.1° |
| C17 | C18 | C19 | 104.1° | 101.2° |
| C17 | C18 | H60 | 107.1° | 111.1° |
| N23 | C11 | C10 | 124.3° | 123.4° |
| C11 | N23 | CO | 125.4° | 121.0° |
| C11 | C10 | C9 | 123.9° | 126.3° |
| C11 | C10 | H35 | 118.0° | 116.8° |
| C16 | N24 | CO | 136.4° | 130.6° |
| C16 | N24 | C19 | 109.7° | 115.8° |
| C49 | C50 | N52 | 116.4° | 120.0° |
| C50 | C49 | H45 | 108.8° | 109.5° |
| C50 | C49 | H46 | 108.8° | 109.5° |
| C50 | N52 | H47 | 120.0° | 120.0° |
| C50 | N52 | H48 | 120.0° | 120.0° |
| N23 | CO | N24 | 90.5° | 98.3° |
| N23 | CO | N22 | 96.6° | 104.0° |
| N23 | CO | N21 | 166.3° | 133.7° |
| C55 | C56 | C57 | 109.6° | 109.5° |
| C56 | C55 | H55 | 108.2° | 109.5° |
| C56 | C55 | H56 | 108.2° | 109.4° |
| C55 | C56 | H57 | 109.5° | 109.5° |
| C55 | C56 | H58 | 109.5° | 109.5° |
| C10 | C9 | N22 | 128.8° | 122.9° |
| C10 | C9 | C8 | 119.7° | 130.8° |
| C9 | C10 | H35 | 118.0° | 116.9° |
| CO | N24 | C19 | 113.8° | 106.4° |
| N24 | CO | N22 | 172.8° | 133.8° |
| N24 | CO | N21 | 83.7° | 94.9° |
| N24 | C19 | C18 | 103.5° | 102.2° |
| N24 | C19 | C1 | 105.6° | 107.2° |
| N24 | C19 | H65 | 109.7° | 111.4° |
| N40 | C38 | C37 | 118.0° | 120.0° |
| N40 | C38 | O39 | 122.8° | 120.0° |
| C38 | N40 | H26 | 120.0° | 120.1° |
| C38 | N40 | H27 | 120.0° | 120.0° |
| N62 | C61 | C60 | 116.5° | 120.0° |
| N62 | C61 | O63 | 122.8° | 120.0° |
| C61 | N62 | H63 | 120.0° | 120.0° |
| C61 | N62 | H64 | 120.0° | 120.0° |
| O58 | C57 | C56 | 121.8° | 120.0° |
| O58 | C57 | N59 | 122.0° | 120.0° |
| C38 | C37 | C7 | 115.1° | 109.5° |
| C37 | C38 | O39 | 119.2° | 120.0° |
| C38 | C37 | H24 | 108.1° | 109.5° |
| C38 | C37 | H25 | 108.0° | 109.5° |
| C37 | C7 | C8 | 104.9° | 110.8° |
| C37 | C7 | C6 | 111.0° | 110.6° |
| C37 | C7 | C36 | 109.8° | 110.5° |
| C7 | C37 | H24 | 108.1° | 109.5° |
| C7 | C37 | H25 | 108.1° | 109.5° |
| N22 | CO | N21 | 89.1° | 97.9° |
| CO | N22 | C9 | 120.7° | 120.6° |
| CO | N22 | C6 | 131.1° | 121.1° |
| CO | N21 | C1 | 117.3° | 106.9° |
| CO | N21 | C4 | 131.0° | 131.6° |
| C18 | C60 | C61 | 110.9° | 109.5° |
| C60 | C18 | C19 | 115.6° | 111.1° |
| C60 | C18 | H60 | 107.1° | 111.0° |
| C18 | C60 | H61 | 109.1° | 109.5° |
| C18 | C60 | H62 | 109.1° | 109.5° |
| C60 | C61 | O63 | 120.7° | 120.0° |
| C61 | C60 | H61 | 109.1° | 109.5° |
| C61 | C60 | H62 | 109.1° | 109.5° |
| C18 | C19 | C1 | 120.2° | 112.4° |
| C19 | C18 | H60 | 107.1° | 111.1° |
| C18 | C19 | H65 | 109.0° | 111.4° |
| C56 | C57 | N59 | 116.2° | 120.0° |
| C57 | C56 | H57 | 109.5° | 109.5° |
| C57 | C56 | H58 | 109.4° | 109.5° |
| C57 | N59 | C1P | 122.7° | 120.0° |
| C57 | N59 | H59 | 118.7° | 120.0° |
| C19 | C1 | N21 | 102.6° | 106.0° |
| C19 | C1 | C2 | 118.5° | 112.9° |
| C19 | C1 | C20 | 108.1° | 112.1° |
| C1 | C19 | H65 | 108.4° | 111.7° |
| N22 | C9 | C8 | 111.3° | 105.8° |
| C9 | N22 | C6 | 107.7° | 113.2° |
| C9 | C8 | C7 | 100.9° | 102.6° |
| C9 | C8 | C41 | 110.3° | 110.8° |
| C9 | C8 | H28 | 109.9° | 110.9° |
| N59 | C1P | C2P | 113.0° | 109.5° |
| C1P | N59 | H59 | 118.7° | 120.0° |
| N59 | C1P | H66 | 108.6° | 109.5° |
| N59 | C1P | H67 | 108.6° | 109.5° |
| C1P | C2P | O3 | 108.0° | 109.5° |
| C2P | C1P | H66 | 108.6° | 109.4° |
| C2P | C1P | H67 | 108.6° | 109.5° |
| C1P | C2P | H68 | 109.9° | 109.5° |
| C1P | C2P | H69 | 109.8° | 109.5° |
| N29 | C27 | C26 | 115.9° | 120.0° |
| N29 | C27 | O28 | 122.7° | 120.0° |
| C27 | N29 | H9 | 120.0° | 119.9° |
| C27 | N29 | H10 | 120.0° | 120.0° |
| N22 | C6 | C7 | 110.4° | 105.3° |
| N22 | C6 | C5 | 119.7° | 127.6° |
| C7 | C8 | C41 | 116.7° | 110.8° |
| C8 | C7 | C6 | 99.9° | 103.3° |
| C8 | C7 | C36 | 109.5° | 110.7° |
| C7 | C8 | H28 | 109.3° | 110.8° |
| C8 | C41 | C42 | 115.6° | 109.5° |
| C41 | C8 | H28 | 109.4° | 110.7° |
| C8 | C41 | H29 | 107.9° | 109.5° |
| C8 | C41 | H30 | 107.9° | 109.5° |
| C27 | C26 | C2 | 117.0° | 109.5° |
| C26 | C27 | O28 | 121.4° | 120.0° |
| C27 | C26 | H7 | 107.6° | 109.5° |
| C27 | C26 | H8 | 107.5° | 109.4° |
| C26 | C2 | C1 | 107.9° | 110.7° |
| C26 | C2 | C3 | 105.9° | 110.7° |
| C26 | C2 | C25 | 111.4° | 110.7° |
| C2 | C26 | H7 | 107.5° | 109.5° |
| C2 | C26 | H8 | 107.6° | 109.5° |
| C6 | C7 | C36 | 120.3° | 110.7° |
| C7 | C6 | C5 | 129.6° | 127.1° |
| C7 | C36 | H21 | 109.5° | 109.5° |
| C7 | C36 | H22 | 109.5° | 109.5° |
| C7 | C36 | H23 | 109.5° | 109.5° |
| C6 | C5 | C4 | 121.6° | 125.4° |
| C6 | C5 | C35 | 124.8° | 117.3° |
| C1 | N21 | C4 | 111.6° | 116.1° |
| N21 | C1 | C2 | 104.0° | 101.9° |
| N21 | C1 | C20 | 107.8° | 111.7° |
| N21 | C4 | C5 | 123.3° | 115.9° |
| N21 | C4 | C3 | 113.5° | 105.1° |
| C2 | C1 | C20 | 114.5° | 111.6° |
| C1 | C2 | C3 | 101.4° | 103.0° |
| C1 | C2 | C25 | 114.7° | 110.7° |
| C1 | C20 | H1 | 109.5° | 109.4° |
| C1 | C20 | H2 | 109.5° | 109.4° |
| C1 | C20 | H3 | 109.4° | 109.5° |
| C2P | O3 | P | 118.6° | 123.0° |
| O3 | C2P | H68 | 109.8° | 109.5° |
| O3 | C2P | H69 | 109.9° | 109.4° |
| O8R | C5R | C4R | 112.1° | 109.5° |
| O8R | C5R | H76 | 108.8° | 109.5° |
| O8R | C5R | H77 | 108.8° | 109.4° |
| C5R | O8R | H78 | 109.5° | 114.0° |
| C4 | C5 | C35 | 113.5° | 117.3° |
| C5 | C4 | C3 | 123.2° | 136.4° |
| C5 | C35 | H18 | 109.5° | 109.5° |
| C5 | C35 | H19 | 109.5° | 109.5° |
| C5 | C35 | H20 | 109.5° | 109.4° |
| C4 | C3 | C2 | 101.4° | 102.9° |
| C4 | C3 | C30 | 113.0° | 110.7° |
| C4 | C3 | H11 | 109.3° | 110.9° |
| C3 | C2 | C25 | 114.7° | 110.7° |
| C2 | C3 | C30 | 115.5° | 110.8° |
| C2 | C3 | H11 | 108.4° | 110.7° |
| C2 | C25 | H4 | 109.5° | 109.5° |
| C2 | C25 | H5 | 109.5° | 109.5° |
| C2 | C25 | H6 | 109.4° | 109.4° |
| O3 | P | O5 | 105.4° | 109.5° |
| O3 | P | O4 | 113.1° | 109.5° |
| O3 | P | O2 | 100.5° | 109.5° |
| C41 | C42 | C43 | 115.9° | 109.4° |
| C42 | C41 | H29 | 107.9° | 109.5° |
| C42 | C41 | H30 | 107.9° | 109.4° |
| C41 | C42 | H31 | 107.8° | 109.5° |
| C41 | C42 | H32 | 107.8° | 109.4° |
| C3 | C30 | C31 | 113.1° | 109.5° |
| C30 | C3 | H11 | 108.9° | 110.6° |
| C3 | C30 | H12 | 108.5° | 109.4° |
| C3 | C30 | H13 | 108.6° | 109.5° |
| C5R | C4R | C3R | 114.7° | 110.4° |
| C5R | C4R | O6R | 109.0° | 110.4° |
| C5R | C4R | H75 | 109.2° | 110.4° |
| C4R | C5R | H76 | 108.8° | 109.5° |
| C4R | C5R | H77 | 108.8° | 109.5° |
| C42 | C43 | O44 | 120.9° | 120.0° |
| C42 | C43 | N45 | 116.4° | 119.9° |
| C43 | C42 | H31 | 107.9° | 109.5° |
| C43 | C42 | H32 | 107.9° | 109.5° |
| O5 | P | O4 | 119.1° | 109.5° |
| O5 | P | O2 | 108.3° | 109.5° |
| O4 | P | O2 | 108.9° | 109.5° |
| P | O4 | H70 | 109.5° | 114.0° |
| P | O2 | C3R | 124.6° | 123.0° |
| O44 | C43 | N45 | 122.7° | 120.1° |
| C43 | N45 | H33 | 120.0° | 120.0° |
| C43 | N45 | H34 | 120.0° | 120.0° |
| C3R | C4R | O6R | 104.9° | 104.8° |
| C4R | C3R | O2 | 110.2° | 110.5° |
| C4R | C3R | C2R | 102.6° | 104.1° |
| C4R | C3R | H71 | 109.4° | 110.6° |
| C3R | C4R | H75 | 108.9° | 110.4° |
| C4R | O6R | C1R | 110.4° | 105.3° |
| O6R | C4R | H75 | 110.1° | 110.4° |
| C30 | C31 | C32 | 112.7° | 109.5° |
| C31 | C30 | H12 | 108.6° | 109.4° |
| C31 | C30 | H13 | 108.6° | 109.5° |
| C30 | C31 | H14 | 108.6° | 109.4° |
| C30 | C31 | H15 | 108.7° | 109.5° |
| O2 | C3R | C2R | 113.7° | 110.5° |
| O2 | C3R | H71 | 111.1° | 110.5° |
| C3R | C2R | C1R | 100.3° | 104.1° |
| C3R | C2R | O7R | 110.1° | 110.5° |
| C2R | C3R | H71 | 109.5° | 110.5° |
| C3R | C2R | H72 | 110.0° | 110.5° |
| O6R | C1R | C2R | 106.2° | 104.8° |
| O6R | C1R | N1B | 107.2° | 110.3° |
| O6R | C1R | H74 | 110.0° | 110.5° |
| C31 | C32 | O34 | 120.8° | 120.0° |
| C31 | C32 | N33 | 116.2° | 119.9° |
| C32 | C31 | H14 | 108.7° | 109.5° |
| C32 | C31 | H15 | 108.7° | 109.5° |
| C1R | C2R | O7R | 114.6° | 110.5° |
| C2R | C1R | N1B | 115.5° | 110.3° |
| C1R | C2R | H72 | 109.8° | 110.5° |
| C2R | C1R | H74 | 108.4° | 110.4° |
| O7R | C2R | H72 | 111.4° | 110.6° |
| C2R | O7R | H73 | 109.5° | 114.0° |
| C1R | N1B | C2B | 126.3° | 126.4° |
| C1R | N1B | C8B | 126.9° | 126.3° |
| N1B | C1R | H74 | 109.4° | 110.3° |
| N1B | C2B | N3B | 113.8° | 110.1° |
| C2B | N1B | C8B | 106.3° | 107.3° |
| N1B | C2B | H79 | 123.1° | 124.9° |
| C2B | N3B | C9B | 104.4° | 109.7° |
| N3B | C2B | H79 | 123.1° | 125.0° |
| O34 | C32 | N33 | 123.1° | 120.0° |
| C32 | N33 | H16 | 120.0° | 120.0° |
| C32 | N33 | H17 | 120.0° | 120.0° |
| N1B | C8B | C9B | 105.3° | 106.0° |
| N1B | C8B | C7B | 133.1° | 134.1° |
| N3B | C9B | C8B | 110.3° | 107.0° |
| N3B | C9B | C4B | 130.3° | 133.5° |
| C9B | C8B | C7B | 121.6° | 119.9° |
| C8B | C9B | C4B | 119.4° | 119.6° |
| C8B | C7B | C6B | 119.1° | 119.6° |
| C8B | C7B | H82 | 120.4° | 120.2° |
| C9B | C4B | C5B | 120.2° | 119.9° |
| C9B | C4B | H80 | 119.9° | 120.1° |
| C7B | C6B | C5B | 119.7° | 120.4° |
| C7B | C6B | O6M | 119.4° | 119.8° |
| C6B | C7B | H82 | 120.4° | 120.2° |
| C4B | C5B | C6B | 119.9° | 120.6° |
| C5B | C4B | H80 | 119.9° | 120.0° |
| C4B | C5B | H81 | 120.0° | 119.7° |
| C5B | C6B | O6M | 120.8° | 119.8° |
| C6B | C5B | H81 | 120.0° | 119.7° |
| C6B | O6M | H83 | 109.5° | 114.0° |
| H1 | C20 | H2 | 109.4° | 109.5° |
| H1 | C20 | H3 | 109.5° | 109.5° |
| H2 | C20 | H3 | 109.5° | 109.5° |
| H4 | C25 | H5 | 109.5° | 109.5° |
| H4 | C25 | H6 | 109.5° | 109.5° |
| H5 | C25 | H6 | 109.5° | 109.5° |
| H7 | C26 | H8 | 109.5° | 109.5° |
| H9 | N29 | H10 | 120.0° | 120.1° |
| H12 | C30 | H13 | 109.5° | 109.5° |
| H14 | C31 | H15 | 109.5° | 109.4° |
| H16 | N33 | H17 | 120.0° | 120.0° |
| H18 | C35 | H19 | 109.5° | 109.5° |
| H18 | C35 | H20 | 109.5° | 109.4° |
| H19 | C35 | H20 | 109.5° | 109.5° |
| H21 | C36 | H22 | 109.4° | 109.5° |
| H21 | C36 | H23 | 109.5° | 109.4° |
| H22 | C36 | H23 | 109.5° | 109.5° |
| H24 | C37 | H25 | 109.5° | 109.4° |
| H26 | N40 | H27 | 120.0° | 120.0° |
| H29 | C41 | H30 | 109.5° | 109.5° |
| H31 | C42 | H32 | 109.4° | 109.5° |
| H33 | N45 | H34 | 120.0° | 120.0° |
| H36 | C46 | H37 | 109.4° | 109.5° |
| H36 | C46 | H38 | 109.5° | 109.4° |
| H37 | C46 | H38 | 109.5° | 109.5° |
| H39 | C47 | H40 | 109.5° | 109.5° |
| H39 | C47 | H41 | 109.5° | 109.4° |
| H40 | C47 | H41 | 109.5° | 109.5° |
| H43 | C48 | H44 | 109.5° | 109.4° |
| H45 | C49 | H46 | 109.5° | 109.4° |
| H47 | N52 | H48 | 120.0° | 120.0° |
| H49 | C53 | H50 | 109.5° | 109.5° |
| H49 | C53 | H51 | 109.4° | 109.5° |
| H50 | C53 | H51 | 109.5° | 109.5° |
| H52 | C54 | H53 | 109.5° | 109.5° |
| H52 | C54 | H54 | 109.5° | 109.5° |
| H53 | C54 | H54 | 109.5° | 109.5° |
| H55 | C55 | H56 | 109.4° | 109.4° |
| H57 | C56 | H58 | 109.4° | 109.5° |
| H61 | C60 | H62 | 109.5° | 109.5° |
| H63 | N62 | H64 | 120.0° | 120.0° |
| H66 | C1P | H67 | 109.5° | 109.5° |
| H68 | C2P | H69 | 109.5° | 109.5° |
| H76 | C5R | H77 | 109.4° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C46 | C12 | C13 | C48 | 110.7° | 134.7° |
| C46 | C12 | C13 | C47 | 122.2° | 123.3° |
| C46 | C12 | C13 | C11 | 118.8° | 118.4° |
| C46 | C12 | C13 | C14 | 121.4° | 107.1° |
| C46 | C12 | C47 | C11 | 121.8° | 123.1° |
| C46 | C12 | C11 | N23 | 118.1° | 127.4° |
| C46 | C12 | C11 | C10 | 66.2° | 46.7° |
| C12 | C46 | H36 | H37 | 120.0° | 120.0° |
| C12 | C46 | H36 | H38 | 120.0° | 120.0° |
| C12 | C46 | H37 | H38 | 120.0° | 120.0° |
| C46 | C12 | C47 | H39 | 180.0° | 61.7° |
| C46 | C12 | C47 | H40 | 60.0° | 58.3° |
| C46 | C12 | C47 | H41 | 60.0° | 178.3° |
| C46 | C12 | C13 | H42 | 8.6° | 11.1° |
| C53 | C15 | C14 | C13 | 2.7° | 6.8° |
| C53 | C15 | C14 | C16 | 179.5° | 180.0° |
| C53 | C15 | C14 | N23 | 170.6° | 162.4° |
| C53 | C15 | C16 | C17 | 2.5° | 24.7° |
| C53 | C15 | C16 | N24 | 172.9° | 175.0° |
| C15 | C53 | H49 | H50 | 120.0° | 120.0° |
| C15 | C53 | H49 | H51 | 120.0° | 120.0° |
| C15 | C53 | H50 | H51 | 120.0° | 120.0° |
| C48 | C13 | C12 | C14 | 127.9° | 118.2° |
| C48 | C13 | C12 | H42 | 119.3° | 123.6° |
| C48 | C13 | C14 | H42 | 121.4° | 123.6° |
| C13 | C48 | C49 | H43 | 121.0° | 120.0° |
| C13 | C48 | C49 | H44 | 121.0° | 120.1° |
| C48 | C13 | C12 | C47 | 11.5° | 11.4° |
| C48 | C13 | C12 | C11 | 130.5° | 106.9° |
| C48 | C13 | C14 | C15 | 57.2° | 98.4° |
| C48 | C13 | C14 | N23 | 128.4° | 90.6° |
| C13 | C48 | C49 | C50 | 159.8° | 179.9° |
| C13 | C48 | H43 | H44 | 116.9° | 120.0° |
| C13 | C48 | C49 | H45 | 39.4° | 60.1° |
| C13 | C48 | C49 | H46 | 79.8° | 59.8° |
| C12 | C13 | C14 | H42 | 112.9° | 118.2° |
| C12 | C13 | C48 | C49 | 94.2° | 174.5° |
| C13 | C12 | C47 | C11 | 116.7° | 113.5° |
| C12 | C13 | C14 | C15 | 177.1° | 143.3° |
| C12 | C13 | C14 | N23 | 2.7° | 27.6° |
| C13 | C12 | C11 | N23 | 1.7° | 8.8° |
| C13 | C12 | C11 | C10 | 177.4° | 165.2° |
| C13 | C12 | C46 | H36 | 180.0° | 177.4° |
| C13 | C12 | C46 | H37 | 60.0° | 57.4° |
| C13 | C12 | C46 | H38 | 60.0° | 62.6° |
| C13 | C12 | C47 | H39 | 58.4° | 174.9° |
| C13 | C12 | C47 | H40 | 178.5° | 65.1° |
| C13 | C12 | C47 | H41 | 61.6° | 54.9° |
| C12 | C13 | C48 | H43 | 26.7° | 65.5° |
| C12 | C13 | C48 | H44 | 144.8° | 54.4° |
| C14 | C13 | C48 | C49 | 25.3° | 72.9° |
| C14 | C13 | C12 | C47 | 116.4° | 129.6° |
| C14 | C13 | C12 | C11 | 2.5° | 11.3° |
| C13 | C14 | C15 | N23 | 173.4° | 169.2° |
| C13 | C14 | C15 | C16 | 177.7° | 173.2° |
| C13 | C14 | N23 | C11 | 1.9° | 37.3° |
| C13 | C14 | N23 | CO | 179.5° | 168.5° |
| C14 | C13 | C48 | H43 | 146.3° | 47.2° |
| C14 | C13 | C48 | H44 | 95.6° | 167.1° |
| C54 | C17 | C16 | C15 | 75.0° | 115.2° |
| C54 | C17 | C16 | C55 | 125.5° | 123.8° |
| C54 | C17 | C16 | C18 | 118.3° | 118.1° |
| C54 | C17 | C55 | C18 | 122.3° | 123.9° |
| C54 | C17 | C16 | N24 | 100.7° | 82.9° |
| C54 | C17 | C55 | C56 | 174.7° | 170.8° |
| C54 | C17 | C18 | C60 | 39.3° | 34.0° |
| C54 | C17 | C18 | C19 | 88.4° | 84.0° |
| C17 | C54 | H52 | H53 | 120.0° | 120.1° |
| C17 | C54 | H52 | H54 | 120.0° | 120.0° |
| C17 | C54 | H53 | H54 | 120.0° | 119.9° |
| C54 | C17 | C55 | H55 | 54.0° | 69.1° |
| C54 | C17 | C55 | H56 | 64.6° | 50.9° |
| C54 | C17 | C18 | H60 | 158.4° | 158.1° |
| C48 | C49 | C50 | O51 | 8.2° | 5.6° |
| C48 | C49 | C50 | H45 | 120.4° | 120.0° |
| C48 | C49 | C50 | H46 | 120.4° | 120.0° |
| C48 | C49 | C50 | N52 | 172.3° | 174.3° |
| C49 | C48 | C13 | H42 | 146.6° | 50.8° |
| C49 | C48 | H43 | H44 | 116.9° | 120.0° |
| C48 | C49 | H45 | H46 | 118.7° | 120.0° |
| O51 | C50 | C49 | N52 | 179.5° | 179.9° |
| O51 | C50 | C49 | H45 | 112.2° | 114.4° |
| O51 | C50 | C49 | H46 | 128.6° | 125.6° |
| O51 | C50 | N52 | H47 | 0.0° | 174.9° |
| O51 | C50 | N52 | H48 | 180.0° | 5.1° |
| C47 | C12 | C11 | N23 | 121.5° | 109.5° |
| C47 | C12 | C11 | C10 | 54.1° | 76.4° |
| C47 | C12 | C46 | H36 | 54.3° | 59.2° |
| C47 | C12 | C46 | H37 | 174.3° | 179.3° |
| C47 | C12 | C46 | H38 | 65.7° | 60.7° |
| C12 | C47 | H39 | H40 | 120.0° | 120.0° |
| C12 | C47 | H39 | H41 | 120.0° | 120.0° |
| C12 | C47 | H40 | H41 | 120.0° | 120.0° |
| C47 | C12 | C13 | H42 | 130.8° | 112.2° |
| C12 | C11 | N23 | C14 | 0.1° | 29.7° |
| C12 | C11 | N23 | C10 | 175.5° | 174.6° |
| C12 | C11 | N23 | CO | 178.7° | 176.2° |
| C12 | C11 | C10 | C9 | 179.2° | 178.2° |
| C12 | C11 | C10 | H35 | 0.8° | 1.9° |
| C11 | C12 | C46 | H36 | 65.7° | 63.9° |
| C11 | C12 | C46 | H37 | 54.3° | 56.2° |
| C11 | C12 | C46 | H38 | 174.3° | 176.2° |
| C11 | C12 | C47 | H39 | 58.2° | 61.4° |
| C11 | C12 | C47 | H40 | 61.8° | 178.6° |
| C11 | C12 | C47 | H41 | 178.2° | 58.6° |
| C11 | C12 | C13 | H42 | 110.3° | 129.5° |
| C14 | C15 | C16 | C17 | 177.9° | 155.3° |
| C15 | C14 | N23 | C11 | 175.9° | 134.1° |
| C14 | C15 | C16 | N24 | 6.6° | 5.0° |
| C15 | C14 | N23 | CO | 5.5° | 20.0° |
| C15 | C14 | C13 | H42 | 64.2° | 25.2° |
| C14 | C15 | C53 | H49 | 180.0° | 5.2° |
| C14 | C15 | C53 | H50 | 60.0° | 125.2° |
| C14 | C15 | C53 | H51 | 60.0° | 114.8° |
| C16 | C15 | C14 | N23 | 8.9° | 17.6° |
| C15 | C16 | C17 | N24 | 175.7° | 161.9° |
| C15 | C16 | C17 | C55 | 50.5° | 8.7° |
| C15 | C16 | C17 | C18 | 166.7° | 126.7° |
| C15 | C16 | N24 | CO | 1.5° | 2.7° |
| C15 | C16 | N24 | C19 | 175.1° | 143.0° |
| C16 | C15 | C53 | H49 | 0.4° | 174.8° |
| C16 | C15 | C53 | H50 | 120.5° | 54.8° |
| C16 | C15 | C53 | H51 | 119.6° | 65.2° |
| C14 | N23 | C11 | CO | 178.6° | 154.1° |
| C14 | N23 | C11 | C10 | 175.5° | 144.9° |
| C14 | N23 | CO | N24 | 0.4° | 10.4° |
| C14 | N23 | CO | N22 | 178.4° | 149.7° |
| C14 | N23 | CO | N21 | 64.3° | 94.6° |
| N23 | C14 | C13 | H42 | 110.2° | 145.8° |
| C16 | C17 | C55 | C18 | 111.8° | 112.2° |
| C16 | C17 | C55 | C56 | 48.8° | 65.3° |
| C17 | C16 | N24 | CO | 177.6° | 168.4° |
| C17 | C16 | N24 | C19 | 1.0° | 22.7° |
| C16 | C17 | C18 | C60 | 155.5° | 152.1° |
| C16 | C17 | C18 | C19 | 27.8° | 34.1° |
| C16 | C17 | C54 | H52 | 180.0° | 58.5° |
| C16 | C17 | C54 | H53 | 60.0° | 178.6° |
| C16 | C17 | C54 | H54 | 60.0° | 61.5° |
| C16 | C17 | C55 | H55 | 71.9° | 54.8° |
| C16 | C17 | C55 | H56 | 169.6° | 174.8° |
| C16 | C17 | C18 | H60 | 85.5° | 83.9° |
| C55 | C17 | C16 | N24 | 133.8° | 153.3° |
| C17 | C55 | C56 | H55 | 120.7° | 120.1° |
| C17 | C55 | C56 | H56 | 120.7° | 120.0° |
| C55 | C17 | C18 | C60 | 80.8° | 89.8° |
| C55 | C17 | C18 | C19 | 151.5° | 152.2° |
| C17 | C55 | C56 | C57 | 170.1° | 178.1° |
| C55 | C17 | C54 | H52 | 49.4° | 177.6° |
| C55 | C17 | C54 | H53 | 70.6° | 57.6° |
| C55 | C17 | C54 | H54 | 169.4° | 62.4° |
| C17 | C55 | H55 | H56 | 117.7° | 120.0° |
| C17 | C55 | C56 | H57 | 69.9° | 58.1° |
| C17 | C55 | C56 | H58 | 50.1° | 61.9° |
| C55 | C17 | C18 | H60 | 38.3° | 34.2° |
| C18 | C17 | C16 | N24 | 17.6° | 35.2° |
| C18 | C17 | C55 | C56 | 63.0° | 46.9° |
| C17 | C18 | C19 | N24 | 29.5° | 21.9° |
| C17 | C18 | C60 | C19 | 121.7° | 111.8° |
| C17 | C18 | C60 | H60 | 119.1° | 124.1° |
| C17 | C18 | C60 | C61 | 83.7° | 69.8° |
| C17 | C18 | C19 | H60 | 113.2° | 118.0° |
| C17 | C18 | C19 | C1 | 146.9° | 136.5° |
| C18 | C17 | C54 | H52 | 70.0° | 53.7° |
| C18 | C17 | C54 | H53 | 170.0° | 66.4° |
| C18 | C17 | C54 | H54 | 50.0° | 173.7° |
| C18 | C17 | C55 | H55 | 176.3° | 166.9° |
| C18 | C17 | C55 | H56 | 57.8° | 73.0° |
| C17 | C18 | C60 | H61 | 36.5° | 50.2° |
| C17 | C18 | C60 | H62 | 156.1° | 170.2° |
| C17 | C18 | C19 | H65 | 87.1° | 97.2° |
| N23 | C11 | C10 | C9 | 4.0° | 5.0° |
| C11 | N23 | CO | N24 | 178.8° | 141.6° |
| C11 | N23 | CO | N22 | 0.0° | 2.3° |
| C11 | N23 | CO | N21 | 114.1° | 113.4° |
| N23 | C11 | C10 | H35 | 176.0° | 175.1° |
| C10 | C11 | N23 | CO | 3.2° | 9.2° |
| C11 | C10 | C9 | H35 | 180.0° | 179.9° |
| C11 | C10 | C9 | N22 | 0.8° | 8.8° |
| C11 | C10 | C9 | C8 | 176.9° | 179.3° |
| C16 | N24 | CO | N23 | 1.3° | 0.2° |
| C16 | N24 | CO | C19 | 176.5° | 148.1° |
| C16 | N24 | CO | N22 | 171.8° | 118.5° |
| C16 | N24 | CO | N21 | 168.9° | 135.7° |
| C16 | N24 | C19 | C18 | 19.4° | 0.5° |
| C16 | N24 | C19 | C1 | 146.6° | 118.9° |
| C16 | N24 | C19 | H65 | 96.8° | 118.5° |
| C50 | C49 | C48 | H43 | 79.2° | 59.9° |
| C50 | C49 | C48 | H44 | 38.8° | 60.1° |
| C50 | C49 | H45 | H46 | 118.8° | 120.0° |
| C49 | C50 | N52 | H47 | 179.5° | 5.1° |
| C49 | C50 | N52 | H48 | 0.5° | 174.8° |
| N52 | C50 | C49 | H45 | 67.3° | 65.6° |
| N52 | C50 | C49 | H46 | 51.9° | 54.3° |
| C50 | N52 | H47 | H48 | 180.0° | 180.0° |
| N23 | CO | N24 | N22 | 170.5° | 118.7° |
| N23 | CO | N24 | N21 | 167.6° | 135.5° |
| N23 | CO | N24 | C19 | 177.8° | 147.9° |
| N23 | CO | N22 | N21 | 167.5° | 138.9° |
| N23 | CO | N22 | C9 | 2.6° | 9.6° |
| N23 | CO | N22 | C6 | 168.4° | 143.6° |
| N23 | CO | N21 | C1 | 52.1° | 91.7° |
| N23 | CO | N21 | C4 | 130.5° | 116.2° |
| C55 | C56 | C57 | O58 | 40.4° | 6.0° |
| C55 | C56 | C57 | H57 | 120.0° | 120.0° |
| C55 | C56 | C57 | H58 | 120.0° | 120.0° |
| C55 | C56 | C57 | N59 | 140.5° | 174.1° |
| C56 | C55 | H55 | H56 | 117.7° | 119.9° |
| C55 | C56 | H57 | H58 | 120.0° | 120.0° |
| C10 | C9 | N22 | CO | 2.6° | 15.4° |
| C10 | C9 | N22 | C8 | 176.3° | 172.5° |
| C10 | C9 | N22 | C6 | 170.3° | 139.7° |
| C10 | C9 | C8 | C7 | 155.3° | 153.4° |
| C10 | C9 | C8 | C41 | 80.8° | 35.1° |
| C10 | C9 | C8 | H28 | 39.9° | 88.3° |
| N24 | CO | N22 | N21 | 2.9° | 104.6° |
| CO | N24 | C19 | C18 | 163.1° | 153.0° |
| CO | N24 | C19 | C1 | 36.0° | 34.6° |
| N24 | CO | N22 | C9 | 167.8° | 107.0° |
| N24 | CO | N22 | C6 | 21.2° | 99.9° |
| N24 | CO | N21 | C1 | 13.3° | 14.8° |
| N24 | CO | N21 | C4 | 164.0° | 137.4° |
| CO | N24 | C19 | H65 | 80.7° | 87.9° |
| C19 | N24 | CO | N22 | 11.7° | 93.4° |
| C19 | N24 | CO | N21 | 14.6° | 12.4° |
| N24 | C19 | C18 | C60 | 157.1° | 139.9° |
| N24 | C19 | C18 | C1 | 117.3° | 114.6° |
| N24 | C19 | C18 | H65 | 116.7° | 119.1° |
| N24 | C19 | C1 | H65 | 117.5° | 122.3° |
| N24 | C19 | C1 | N21 | 42.0° | 46.8° |
| N24 | C19 | C1 | C2 | 155.8° | 157.5° |
| N24 | C19 | C1 | C20 | 71.7° | 75.4° |
| N24 | C19 | C18 | H60 | 83.7° | 96.0° |
| N40 | C38 | C37 | O39 | 178.9° | 179.9° |
| N40 | C38 | C37 | C7 | 127.2° | 178.5° |
| N40 | C38 | C37 | H24 | 6.4° | 58.5° |
| N40 | C38 | C37 | H25 | 112.0° | 61.4° |
| C38 | N40 | H26 | H27 | 180.0° | 180.0° |
| N62 | C61 | C60 | C18 | 126.0° | 169.1° |
| N62 | C61 | C60 | O63 | 179.6° | 180.0° |
| N62 | C61 | C60 | H61 | 5.8° | 49.1° |
| N62 | C61 | C60 | H62 | 113.8° | 70.9° |
| C61 | N62 | H63 | H64 | 180.0° | 180.0° |
| O58 | C57 | C56 | N59 | 179.0° | 180.0° |
| O58 | C57 | N59 | C1P | 4.1° | 5.2° |
| O58 | C57 | C56 | H57 | 79.6° | 126.0° |
| O58 | C57 | C56 | H58 | 160.5° | 114.0° |
| O58 | C57 | N59 | H59 | 175.9° | 174.9° |
| C38 | C37 | C7 | H24 | 120.8° | 120.0° |
| C38 | C37 | C7 | H25 | 120.8° | 120.0° |
| C38 | C37 | C7 | C8 | 170.5° | 60.1° |
| C38 | C37 | C7 | C6 | 82.4° | 174.0° |
| C38 | C37 | C7 | C36 | 53.0° | 63.0° |
| C38 | C37 | H24 | H25 | 117.4° | 120.0° |
| C37 | C38 | N40 | H26 | 178.8° | 0.0° |
| C37 | C38 | N40 | H27 | 1.1° | 180.0° |
| C7 | C37 | C38 | O39 | 53.9° | 1.5° |
| C37 | C7 | C8 | C9 | 86.0° | 119.5° |
| C37 | C7 | C6 | N22 | 86.1° | 101.8° |
| C37 | C7 | C8 | C6 | 115.1° | 118.5° |
| C37 | C7 | C8 | C36 | 117.7° | 123.0° |
| C37 | C7 | C8 | C41 | 154.5° | 122.3° |
| C37 | C7 | C6 | C36 | 130.1° | 122.9° |
| C37 | C7 | C6 | C5 | 100.2° | 81.1° |
| C37 | C7 | C36 | H21 | 180.0° | 51.7° |
| C37 | C7 | C36 | H22 | 60.0° | 68.4° |
| C37 | C7 | C36 | H23 | 60.0° | 171.6° |
| C7 | C37 | H24 | H25 | 117.4° | 120.0° |
| C37 | C7 | C8 | H28 | 29.7° | 1.0° |
| O39 | C38 | C37 | H24 | 174.7° | 121.6° |
| O39 | C38 | C37 | H25 | 66.9° | 118.5° |
| O39 | C38 | N40 | H26 | 0.0° | 180.0° |
| O39 | C38 | N40 | H27 | 180.0° | 0.1° |
| CO | N22 | C9 | C6 | 172.9° | 155.1° |
| CO | N22 | C9 | C8 | 173.7° | 172.1° |
| CO | N22 | C6 | C7 | 164.2° | 173.1° |
| CO | N22 | C6 | C5 | 21.4° | 9.8° |
| N22 | CO | N21 | C1 | 167.0° | 150.3° |
| N22 | CO | N21 | C4 | 15.6° | 1.8° |
| CO | N21 | C1 | C19 | 34.4° | 36.0° |
| N21 | CO | N22 | C9 | 164.9° | 148.4° |
| N21 | CO | N22 | C6 | 24.0° | 4.7° |
| CO | N21 | C1 | C4 | 177.9° | 157.1° |
| CO | N21 | C1 | C2 | 158.4° | 154.3° |
| CO | N21 | C1 | C20 | 79.6° | 86.4° |
| CO | N21 | C4 | C5 | 5.7° | 3.9° |
| CO | N21 | C4 | C3 | 175.1° | 168.4° |
| C18 | C60 | C61 | H61 | 120.2° | 120.0° |
| C18 | C60 | C61 | H62 | 120.2° | 120.0° |
| C60 | C18 | C19 | H60 | 119.2° | 124.0° |
| C60 | C18 | C19 | C1 | 85.6° | 105.4° |
| C18 | C60 | C61 | O63 | 53.6° | 10.9° |
| C18 | C60 | H61 | H62 | 119.3° | 120.0° |
| C60 | C18 | C19 | H65 | 40.4° | 20.8° |
| C61 | C60 | C18 | C19 | 154.6° | 178.4° |
| C61 | C60 | C18 | H60 | 35.4° | 54.3° |
| C61 | C60 | H61 | H62 | 119.4° | 120.0° |
| C60 | C61 | N62 | H63 | 179.6° | 0.0° |
| C60 | C61 | N62 | H64 | 0.4° | 180.0° |
| C18 | C19 | C1 | H65 | 126.2° | 126.1° |
| C18 | C19 | C1 | N21 | 158.2° | 158.4° |
| C18 | C19 | C1 | C2 | 87.9° | 90.9° |
| C18 | C19 | C1 | C20 | 44.5° | 36.2° |
| C19 | C18 | C60 | H61 | 85.2° | 61.6° |
| C19 | C18 | C60 | H62 | 34.4° | 58.4° |
| C56 | C57 | N59 | C1P | 176.9° | 174.8° |
| C57 | C56 | C55 | H55 | 49.3° | 61.8° |
| C57 | C56 | C55 | H56 | 69.2° | 58.2° |
| C57 | C56 | H57 | H58 | 119.9° | 120.0° |
| C56 | C57 | N59 | H59 | 3.1° | 5.1° |
| C57 | N59 | C1P | H59 | 180.0° | 179.9° |
| C57 | N59 | C1P | C2P | 120.0° | 176.4° |
| N59 | C57 | C56 | H57 | 99.4° | 54.1° |
| N59 | C57 | C56 | H58 | 20.5° | 65.9° |
| C57 | N59 | C1P | H66 | 119.4° | 63.6° |
| C57 | N59 | C1P | H67 | 0.5° | 56.4° |
| C19 | C1 | C2 | C26 | 29.2° | 16.3° |
| C19 | C1 | N21 | C2 | 124.0° | 118.3° |
| C19 | C1 | N21 | C20 | 114.0° | 122.4° |
| C19 | C1 | N21 | C4 | 143.5° | 121.1° |
| C19 | C1 | C2 | C20 | 129.6° | 127.4° |
| C19 | C1 | C2 | C3 | 140.2° | 134.7° |
| C19 | C1 | C2 | C25 | 95.6° | 106.9° |
| C19 | C1 | C20 | H1 | 180.0° | 58.1° |
| C19 | C1 | C20 | H2 | 60.0° | 61.9° |
| C19 | C1 | C20 | H3 | 60.0° | 178.1° |
| C1 | C19 | C18 | H60 | 33.7° | 18.6° |
| N22 | C9 | C8 | C7 | 28.0° | 18.4° |
| N22 | C9 | C8 | C41 | 95.9° | 136.6° |
| C9 | N22 | C6 | C7 | 7.7° | 31.9° |
| C9 | N22 | C6 | C5 | 166.7° | 145.2° |
| N22 | C9 | C8 | H28 | 143.4° | 100.0° |
| N22 | C9 | C10 | H35 | 179.1° | 171.1° |
| C8 | C9 | N22 | C6 | 13.4° | 32.8° |
| C9 | C8 | C7 | C41 | 119.5° | 118.3° |
| C9 | C8 | C7 | H28 | 115.8° | 118.5° |
| C9 | C8 | C41 | H28 | 121.0° | 123.5° |
| C9 | C8 | C7 | C6 | 29.0° | 0.9° |
| C9 | C8 | C7 | C36 | 156.2° | 117.6° |
| C9 | C8 | C41 | C42 | 44.2° | 76.1° |
| C9 | C8 | C41 | H29 | 165.1° | 43.9° |
| C9 | C8 | C41 | H30 | 76.7° | 164.0° |
| C8 | C9 | C10 | H35 | 3.1° | 0.6° |
| N59 | C1P | C2P | H66 | 120.5° | 120.0° |
| N59 | C1P | C2P | H67 | 120.5° | 120.0° |
| N59 | C1P | C2P | O3 | 65.7° | 67.3° |
| N59 | C1P | H66 | H67 | 118.4° | 120.0° |
| N59 | C1P | C2P | H68 | 174.5° | 172.6° |
| N59 | C1P | C2P | H69 | 54.0° | 52.6° |
| C1P | C2P | O3 | H68 | 119.8° | 120.0° |
| C1P | C2P | O3 | H69 | 119.7° | 120.0° |
| C1P | C2P | O3 | P | 172.3° | 173.5° |
| C2P | C1P | N59 | H59 | 60.0° | 3.5° |
| C2P | C1P | H66 | H67 | 118.3° | 120.0° |
| C1P | C2P | H68 | H69 | 120.7° | 120.0° |
| N29 | C27 | C26 | O28 | 178.5° | 180.0° |
| N29 | C27 | C26 | C2 | 165.4° | 180.0° |
| N29 | C27 | C26 | H7 | 73.5° | 59.9° |
| N29 | C27 | C26 | H8 | 44.3° | 60.0° |
| C27 | N29 | H9 | H10 | 180.0° | 179.9° |
| O63 | C61 | C60 | H61 | 173.8° | 130.9° |
| O63 | C61 | C60 | H62 | 66.5° | 109.1° |
| O63 | C61 | N62 | H63 | 0.0° | 180.0° |
| O63 | C61 | N62 | H64 | 180.0° | 0.0° |
| N22 | C6 | C7 | C8 | 24.1° | 16.8° |
| N22 | C6 | C7 | C5 | 173.7° | 177.1° |
| N22 | C6 | C7 | C36 | 143.7° | 135.3° |
| N22 | C6 | C5 | C4 | 3.0° | 7.9° |
| N22 | C6 | C5 | C35 | 173.8° | 172.2° |
| C7 | C8 | C41 | H28 | 124.7° | 123.3° |
| C8 | C7 | C6 | C36 | 119.6° | 118.5° |
| C8 | C7 | C6 | C5 | 149.6° | 160.3° |
| C7 | C8 | C41 | C42 | 70.1° | 170.8° |
| C8 | C7 | C36 | H21 | 65.4° | 174.8° |
| C8 | C7 | C36 | H22 | 174.6° | 54.8° |
| C8 | C7 | C36 | H23 | 54.6° | 65.3° |
| C8 | C7 | C37 | H24 | 49.7° | 179.9° |
| C8 | C7 | C37 | H25 | 68.7° | 59.9° |
| C7 | C8 | C41 | H29 | 50.8° | 69.2° |
| C7 | C8 | C41 | H30 | 169.0° | 50.8° |
| C41 | C8 | C7 | C6 | 90.5° | 119.2° |
| C41 | C8 | C7 | C36 | 36.8° | 0.7° |
| C8 | C41 | C42 | H29 | 120.9° | 120.0° |
| C8 | C41 | C42 | H30 | 120.9° | 120.0° |
| C8 | C41 | C42 | C43 | 147.1° | 177.9° |
| C8 | C41 | H29 | H30 | 117.2° | 120.0° |
| C8 | C41 | C42 | H31 | 26.1° | 57.9° |
| C8 | C41 | C42 | H32 | 92.0° | 62.1° |
| C27 | C26 | C2 | H7 | 121.1° | 120.0° |
| C27 | C26 | C2 | H8 | 121.1° | 120.0° |
| C27 | C26 | C2 | C1 | 174.7° | 174.4° |
| C27 | C26 | C2 | C3 | 66.7° | 60.8° |
| C27 | C26 | C2 | C25 | 58.6° | 62.4° |
| C27 | C26 | H7 | H8 | 116.6° | 120.0° |
| C26 | C27 | N29 | H9 | 178.5° | 0.1° |
| C26 | C27 | N29 | H10 | 1.5° | 180.0° |
| C26 | C2 | C1 | N21 | 83.9° | 96.9° |
| C2 | C26 | C27 | O28 | 13.1° | 0.0° |
| C26 | C2 | C1 | C3 | 111.0° | 118.4° |
| C26 | C2 | C1 | C25 | 124.8° | 123.2° |
| C26 | C2 | C1 | C20 | 158.8° | 143.7° |
| C26 | C2 | C3 | C4 | 87.5° | 86.3° |
| C26 | C2 | C3 | C25 | 123.3° | 123.3° |
| C26 | C2 | C3 | C30 | 149.9° | 155.3° |
| C26 | C2 | C25 | H4 | 180.0° | 63.2° |
| C26 | C2 | C25 | H5 | 60.0° | 56.8° |
| C26 | C2 | C25 | H6 | 60.0° | 176.8° |
| C2 | C26 | H7 | H8 | 116.6° | 120.0° |
| C26 | C2 | C3 | H11 | 27.5° | 32.3° |
| C7 | C6 | C5 | C4 | 176.2° | 175.7° |
| C7 | C6 | C5 | C35 | 0.6° | 4.2° |
| C6 | C7 | C36 | H21 | 49.3° | 71.3° |
| C6 | C7 | C36 | H22 | 70.7° | 168.7° |
| C6 | C7 | C36 | H23 | 169.3° | 48.6° |
| C6 | C7 | C37 | H24 | 156.7° | 65.9° |
| C6 | C7 | C37 | H25 | 38.4° | 54.0° |
| C6 | C7 | C8 | H28 | 144.8° | 117.5° |
| C36 | C7 | C6 | C5 | 30.0° | 41.8° |
| C7 | C36 | H21 | H22 | 120.0° | 120.1° |
| C7 | C36 | H21 | H23 | 120.0° | 119.9° |
| C7 | C36 | H22 | H23 | 120.0° | 120.0° |
| C36 | C7 | C37 | H24 | 67.8° | 57.0° |
| C36 | C7 | C37 | H25 | 173.8° | 177.0° |
| C36 | C7 | C8 | H28 | 88.0° | 124.0° |
| C6 | C5 | C4 | N21 | 4.5° | 0.4° |
| C6 | C5 | C4 | C35 | 177.2° | 179.9° |
| C6 | C5 | C4 | C3 | 174.6° | 157.6° |
| C6 | C5 | C35 | H18 | 180.0° | 174.2° |
| C6 | C5 | C35 | H19 | 60.0° | 54.1° |
| C6 | C5 | C35 | H20 | 60.0° | 65.9° |
| N21 | C1 | C2 | C20 | 117.4° | 119.4° |
| C1 | N21 | C4 | C5 | 176.8° | 146.2° |
| C1 | N21 | C4 | C3 | 2.4° | 18.3° |
| N21 | C1 | C2 | C3 | 27.1° | 21.5° |
| N21 | C1 | C2 | C25 | 151.3° | 139.9° |
| N21 | C1 | C20 | H1 | 69.7° | 60.7° |
| N21 | C1 | C20 | H2 | 50.2° | 179.2° |
| N21 | C1 | C20 | H3 | 170.3° | 59.3° |
| N21 | C1 | C19 | H65 | 75.5° | 75.5° |
| C4 | N21 | C1 | C2 | 19.5° | 2.8° |
| C4 | N21 | C1 | C20 | 102.5° | 116.5° |
| N21 | C4 | C5 | C3 | 179.2° | 158.1° |
| N21 | C4 | C5 | C35 | 178.3° | 179.7° |
| N21 | C4 | C3 | C2 | 15.6° | 30.7° |
| N21 | C4 | C3 | C30 | 108.7° | 87.7° |
| N21 | C4 | C3 | H11 | 129.9° | 149.2° |
| O28 | C27 | C26 | H7 | 107.9° | 120.0° |
| O28 | C27 | C26 | H8 | 134.2° | 120.0° |
| O28 | C27 | N29 | H9 | 0.0° | 180.0° |
| O28 | C27 | N29 | H10 | 180.0° | 0.1° |
| C1 | C2 | C3 | C4 | 25.0° | 32.1° |
| C1 | C2 | C3 | C25 | 124.2° | 118.4° |
| C1 | C2 | C3 | C30 | 97.5° | 86.3° |
| C2 | C1 | C20 | H1 | 45.5° | 174.2° |
| C2 | C1 | C20 | H2 | 165.5° | 65.8° |
| C2 | C1 | C20 | H3 | 74.5° | 54.2° |
| C1 | C2 | C25 | H4 | 57.1° | 60.0° |
| C1 | C2 | C25 | H5 | 62.9° | 180.0° |
| C1 | C2 | C25 | H6 | 177.1° | 60.0° |
| C1 | C2 | C26 | H7 | 53.6° | 65.6° |
| C1 | C2 | C26 | H8 | 64.2° | 54.4° |
| C1 | C2 | C3 | H11 | 140.0° | 150.7° |
| C2 | C1 | C19 | H65 | 38.3° | 35.2° |
| C20 | C1 | C2 | C3 | 90.3° | 97.9° |
| C20 | C1 | C2 | C25 | 34.0° | 20.5° |
| C1 | C20 | H1 | H2 | 120.0° | 120.0° |
| C1 | C20 | H1 | H3 | 120.0° | 120.0° |
| C1 | C20 | H2 | H3 | 120.0° | 120.0° |
| C20 | C1 | C19 | H65 | 170.7° | 162.3° |
| C2P | O3 | P | O5 | 165.4° | 55.3° |
| C2P | O3 | P | O4 | 33.8° | 64.7° |
| C2P | O3 | P | O2 | 82.1° | 175.3° |
| O3 | C2P | C1P | H66 | 54.8° | 52.7° |
| O3 | C2P | C1P | H67 | 173.7° | 172.6° |
| O3 | C2P | H68 | H69 | 120.7° | 120.0° |
| O8R | C5R | C4R | H76 | 120.4° | 120.1° |
| O8R | C5R | C4R | H77 | 120.4° | 119.9° |
| O8R | C5R | C4R | C3R | 64.4° | 175.0° |
| O8R | C5R | C4R | O6R | 178.4° | 69.6° |
| O8R | C5R | C4R | H75 | 58.1° | 52.7° |
| O8R | C5R | H76 | H77 | 118.8° | 119.9° |
| C5 | C4 | C3 | C2 | 165.2° | 128.9° |
| C5 | C4 | C3 | C30 | 70.6° | 112.7° |
| C5 | C4 | C3 | H11 | 50.8° | 10.5° |
| C4 | C5 | C35 | H18 | 2.9° | 5.7° |
| C4 | C5 | C35 | H19 | 122.9° | 125.8° |
| C4 | C5 | C35 | H20 | 117.1° | 114.2° |
| C35 | C5 | C4 | C3 | 2.6° | 22.2° |
| C5 | C35 | H18 | H19 | 120.0° | 120.1° |
| C5 | C35 | H18 | H20 | 120.0° | 119.9° |
| C5 | C35 | H19 | H20 | 120.0° | 120.0° |
| C4 | C3 | C2 | C30 | 122.5° | 118.4° |
| C4 | C3 | C2 | H11 | 115.0° | 118.5° |
| C4 | C3 | C2 | C25 | 149.2° | 150.5° |
| C4 | C3 | C30 | H11 | 121.6° | 123.3° |
| C4 | C3 | C30 | C31 | 149.4° | 71.4° |
| C4 | C3 | C30 | H12 | 28.8° | 48.5° |
| C4 | C3 | C30 | H13 | 90.1° | 168.5° |
| C2 | C3 | C30 | H11 | 122.2° | 123.1° |
| C2 | C3 | C30 | C31 | 94.5° | 175.0° |
| C3 | C2 | C25 | H4 | 59.8° | 173.5° |
| C3 | C2 | C25 | H5 | 179.7° | 66.4° |
| C3 | C2 | C25 | H6 | 60.2° | 53.5° |
| C3 | C2 | C26 | H7 | 54.4° | 179.1° |
| C3 | C2 | C26 | H8 | 172.2° | 59.1° |
| C2 | C3 | C30 | H12 | 145.0° | 65.0° |
| C2 | C3 | C30 | H13 | 26.1° | 55.0° |
| C25 | C2 | C3 | C30 | 26.7° | 32.1° |
| C2 | C25 | H4 | H5 | 120.0° | 120.0° |
| C2 | C25 | H4 | H6 | 120.0° | 120.0° |
| C2 | C25 | H5 | H6 | 120.0° | 120.0° |
| C25 | C2 | C26 | H7 | 179.7° | 57.6° |
| C25 | C2 | C26 | H8 | 62.5° | 177.6° |
| C25 | C2 | C3 | H11 | 95.8° | 91.0° |
| O3 | P | O5 | O4 | 128.1° | 120.0° |
| O3 | P | O5 | O2 | 106.8° | 120.0° |
| O3 | P | O4 | O2 | 110.8° | 120.0° |
| O3 | P | O2 | C3R | 68.9° | 175.0° |
| P | O3 | C2P | H68 | 67.9° | 53.5° |
| P | O3 | C2P | H69 | 52.6° | 66.5° |
| O3 | P | O4 | H70 | 124.5° | 55.1° |
| C41 | C42 | C43 | H31 | 120.9° | 120.0° |
| C41 | C42 | C43 | H32 | 120.9° | 119.9° |
| C41 | C42 | C43 | O44 | 133.3° | 0.0° |
| C41 | C42 | C43 | N45 | 46.2° | 180.0° |
| C42 | C41 | C8 | H28 | 165.2° | 47.5° |
| C42 | C41 | H29 | H30 | 117.2° | 120.0° |
| C41 | C42 | H31 | H32 | 117.1° | 119.9° |
| C3 | C30 | C31 | H12 | 120.5° | 119.9° |
| C3 | C30 | C31 | H13 | 120.5° | 120.1° |
| C3 | C30 | C31 | C32 | 170.2° | 180.0° |
| C3 | C30 | H12 | H13 | 118.3° | 120.0° |
| C3 | C30 | C31 | H14 | 49.7° | 60.0° |
| C3 | C30 | C31 | H15 | 69.3° | 59.9° |
| C5R | C4R | C3R | O6R | 119.5° | 118.9° |
| C5R | C4R | C3R | H75 | 122.7° | 122.3° |
| C5R | C4R | O6R | H75 | 119.7° | 122.3° |
| C5R | C4R | C3R | O2 | 149.8° | 98.5° |
| C5R | C4R | C3R | C2R | 88.8° | 142.8° |
| C5R | C4R | O6R | C1R | 113.8° | 159.3° |
| C5R | C4R | C3R | H71 | 27.4° | 24.1° |
| C4R | C5R | H76 | H77 | 118.8° | 120.0° |
| C4R | C5R | O8R | H78 | 180.0° | 180.0° |
| C42 | C43 | O44 | N45 | 179.5° | 180.0° |
| C43 | C42 | C41 | H29 | 92.0° | 62.1° |
| C43 | C42 | C41 | H30 | 26.2° | 57.9° |
| C43 | C42 | H31 | H32 | 117.1° | 120.1° |
| C42 | C43 | N45 | H33 | 179.5° | 0.1° |
| C42 | C43 | N45 | H34 | 0.5° | 180.0° |
| O5 | P | O4 | O2 | 124.7° | 120.0° |
| O5 | P | O2 | C3R | 41.3° | 55.0° |
| O5 | P | O4 | H70 | 0.0° | 175.1° |
| O4 | P | O2 | C3R | 172.1° | 65.0° |
| P | O2 | C3R | C4R | 113.8° | 125.4° |
| P | O2 | C3R | C2R | 131.6° | 120.0° |
| O2 | P | O4 | H70 | 124.7° | 64.9° |
| P | O2 | C3R | H71 | 7.5° | 2.6° |
| O44 | C43 | C42 | H31 | 12.4° | 120.0° |
| O44 | C43 | C42 | H32 | 105.7° | 119.9° |
| O44 | C43 | N45 | H33 | 0.0° | 179.9° |
| O44 | C43 | N45 | H34 | 180.0° | 0.0° |
| N45 | C43 | C42 | H31 | 167.1° | 60.0° |
| N45 | C43 | C42 | H32 | 74.8° | 60.1° |
| C43 | N45 | H33 | H34 | 180.0° | 179.9° |
| C3R | C4R | O6R | H75 | 117.0° | 118.8° |
| C4R | C3R | O2 | C2R | 114.5° | 114.6° |
| C4R | C3R | O2 | H71 | 121.4° | 122.8° |
| C4R | C3R | C2R | H71 | 116.1° | 118.8° |
| C3R | C4R | O6R | C1R | 9.5° | 40.5° |
| C4R | C3R | C2R | C1R | 38.5° | 0.0° |
| C4R | C3R | C2R | O7R | 159.7° | 118.7° |
| C4R | C3R | C2R | H72 | 77.2° | 118.6° |
| C3R | C4R | C5R | H76 | 175.1° | 54.9° |
| C3R | C4R | C5R | H77 | 56.0° | 65.0° |
| O6R | C4R | C3R | O2 | 90.8° | 142.6° |
| O6R | C4R | C3R | C2R | 30.7° | 24.0° |
| C4R | O6R | C1R | C2R | 15.7° | 40.5° |
| C4R | O6R | C1R | N1B | 108.3° | 78.3° |
| O6R | C4R | C3R | H71 | 146.8° | 94.7° |
| C4R | O6R | C1R | H74 | 132.8° | 159.4° |
| O6R | C4R | C5R | H76 | 58.0° | 170.3° |
| O6R | C4R | C5R | H77 | 61.2° | 50.4° |
| C30 | C31 | C32 | H14 | 120.5° | 119.9° |
| C30 | C31 | C32 | H15 | 120.5° | 120.1° |
| C30 | C31 | C32 | O34 | 43.0° | 0.1° |
| C30 | C31 | C32 | N33 | 137.3° | 180.0° |
| C31 | C30 | C3 | H11 | 27.7° | 51.9° |
| C31 | C30 | H12 | H13 | 118.4° | 120.0° |
| C30 | C31 | H14 | H15 | 118.5° | 120.0° |
| O2 | C3R | C2R | H71 | 124.9° | 122.6° |
| O2 | C3R | C2R | C1R | 80.5° | 118.6° |
| O2 | C3R | C2R | O7R | 40.7° | 0.0° |
| O2 | C3R | C2R | H72 | 163.8° | 122.7° |
| O2 | C3R | C4R | H75 | 27.1° | 23.8° |
| C3R | C2R | C1R | O6R | 33.9° | 23.9° |
| C3R | C2R | C1R | O7R | 117.9° | 118.6° |
| C3R | C2R | C1R | H72 | 115.8° | 118.6° |
| C3R | C2R | O7R | H72 | 122.3° | 122.7° |
| C3R | C2R | C1R | N1B | 84.7° | 94.8° |
| C3R | C2R | O7R | H73 | 180.0° | 180.0° |
| C3R | C2R | C1R | H74 | 152.1° | 143.0° |
| C2R | C3R | C4R | H75 | 148.5° | 94.8° |
| O6R | C1R | C2R | N1B | 118.6° | 118.8° |
| O6R | C1R | C2R | H74 | 118.2° | 119.0° |
| O6R | C1R | C2R | O7R | 151.9° | 142.6° |
| O6R | C1R | N1B | H74 | 119.3° | 122.4° |
| O6R | C1R | N1B | C2B | 5.1° | 14.5° |
| O6R | C1R | N1B | C8B | 165.6° | 165.8° |
| O6R | C1R | C2R | H72 | 81.8° | 94.7° |
| C1R | O6R | C4R | H75 | 126.5° | 78.3° |
| C31 | C32 | O34 | N33 | 179.6° | 179.9° |
| C32 | C31 | C30 | H12 | 69.3° | 60.1° |
| C32 | C31 | C30 | H13 | 49.7° | 59.9° |
| C32 | C31 | H14 | H15 | 118.5° | 120.0° |
| C31 | C32 | N33 | H16 | 179.7° | 0.0° |
| C31 | C32 | N33 | H17 | 0.3° | 180.0° |
| C1R | C2R | O7R | H72 | 125.5° | 122.7° |
| C2R | C1R | N1B | H74 | 122.7° | 122.2° |
| C2R | C1R | N1B | C2B | 113.0° | 100.9° |
| C2R | C1R | N1B | C8B | 76.3° | 78.8° |
| C1R | C2R | C3R | H71 | 154.6° | 118.8° |
| C1R | C2R | O7R | H73 | 67.8° | 65.4° |
| O7R | C2R | C1R | N1B | 33.2° | 23.8° |
| O7R | C2R | C3R | H71 | 84.2° | 122.6° |
| O7R | C2R | C1R | H74 | 89.9° | 98.4° |
| C1R | N1B | C2B | C8B | 172.2° | 179.7° |
| C1R | N1B | C2B | N3B | 172.3° | 180.0° |
| C1R | N1B | C8B | C9B | 172.2° | 180.0° |
| C1R | N1B | C8B | C7B | 9.3° | 0.0° |
| N1B | C1R | C2R | H72 | 159.5° | 146.5° |
| C1R | N1B | C2B | H79 | 7.7° | 0.0° |
| N1B | C2B | N3B | H79 | 180.0° | 180.0° |
| N1B | C2B | N3B | C9B | 0.0° | 0.1° |
| C2B | N1B | C8B | C9B | 0.0° | 0.2° |
| C2B | N1B | C8B | C7B | 178.6° | 179.8° |
| C2B | N1B | C1R | H74 | 124.4° | 136.9° |
| N3B | C2B | N1B | C8B | 0.0° | 0.2° |
| C2B | N3B | C9B | C8B | 0.0° | 0.0° |
| C2B | N3B | C9B | C4B | 178.9° | 179.7° |
| O34 | C32 | C31 | H14 | 77.4° | 120.0° |
| O34 | C32 | C31 | H15 | 163.5° | 120.0° |
| O34 | C32 | N33 | H16 | 0.0° | 180.0° |
| O34 | C32 | N33 | H17 | 180.0° | 0.0° |
| N33 | C32 | C31 | H14 | 102.2° | 60.0° |
| N33 | C32 | C31 | H15 | 16.9° | 60.0° |
| C32 | N33 | H16 | H17 | 180.0° | 180.0° |
| N1B | C8B | C9B | N3B | 0.0° | 0.2° |
| N1B | C8B | C9B | C7B | 178.8° | 180.0° |
| N1B | C8B | C9B | C4B | 179.1° | 179.9° |
| N1B | C8B | C7B | C6B | 177.9° | 179.9° |
| C8B | N1B | C1R | H74 | 46.3° | 43.4° |
| C8B | N1B | C2B | H79 | 180.0° | 179.8° |
| N1B | C8B | C7B | H82 | 2.1° | 0.0° |
| N3B | C9B | C8B | C4B | 179.0° | 179.8° |
| N3B | C9B | C8B | C7B | 178.7° | 179.8° |
| N3B | C9B | C4B | C5B | 177.9° | 179.7° |
| C9B | N3B | C2B | H79 | 180.0° | 179.9° |
| N3B | C9B | C4B | H80 | 2.1° | 0.3° |
| C9B | C8B | C7B | C6B | 0.4° | 0.1° |
| C8B | C9B | C4B | C5B | 0.9° | 0.0° |
| C8B | C9B | C4B | H80 | 179.1° | 180.0° |
| C9B | C8B | C7B | H82 | 179.6° | 180.0° |
| C7B | C8B | C9B | C4B | 0.3° | 0.1° |
| C8B | C7B | C6B | H82 | 180.0° | 179.9° |
| C8B | C7B | C6B | C5B | 0.6° | 0.1° |
| C8B | C7B | C6B | O6M | 179.5° | 179.9° |
| C9B | C4B | C5B | H80 | 180.0° | 180.0° |
| C9B | C4B | C5B | C6B | 0.7° | 0.0° |
| C9B | C4B | C5B | H81 | 179.3° | 180.0° |
| C7B | C6B | C5B | C4B | 0.0° | 0.1° |
| C7B | C6B | C5B | O6M | 179.9° | 180.0° |
| C7B | C6B | C5B | H81 | 180.0° | 179.9° |
| C7B | C6B | O6M | H83 | 180.0° | 89.9° |
| C4B | C5B | C6B | H81 | 180.0° | 180.0° |
| C4B | C5B | C6B | O6M | 179.9° | 180.0° |
| C6B | C5B | C4B | H80 | 179.3° | 180.0° |
| C5B | C6B | C7B | H82 | 179.4° | 180.0° |
| C5B | C6B | O6M | H83 | 0.1° | 90.0° |
| O6M | C6B | C5B | H81 | 0.0° | 0.0° |
| O6M | C6B | C7B | H82 | 0.5° | 0.0° |
| H1 | C20 | H2 | H3 | 120.0° | 120.0° |
| H4 | C25 | H5 | H6 | 120.0° | 120.0° |
| H11 | C3 | C30 | H12 | 92.8° | 171.8° |
| H11 | C3 | C30 | H13 | 148.3° | 68.2° |
| H12 | C30 | C31 | H14 | 170.3° | 180.0° |
| H12 | C30 | C31 | H15 | 51.2° | 60.0° |
| H13 | C30 | C31 | H14 | 70.8° | 60.1° |
| H13 | C30 | C31 | H15 | 170.2° | NaN° |
| H18 | C35 | H19 | H20 | 120.0° | 120.0° |
| H21 | C36 | H22 | H23 | 120.0° | 119.9° |
| H28 | C8 | C41 | H29 | 73.9° | 167.5° |
| H28 | C8 | C41 | H30 | 44.3° | 72.5° |
| H29 | C41 | C42 | H31 | 147.0° | 177.9° |
| H29 | C41 | C42 | H32 | 28.9° | 57.9° |
| H30 | C41 | C42 | H31 | 94.8° | 62.1° |
| H30 | C41 | C42 | H32 | 147.1° | 177.9° |
| H36 | C46 | H37 | H38 | 120.0° | 119.9° |
| H39 | C47 | H40 | H41 | 120.0° | 120.0° |
| H42 | C13 | C48 | H43 | 92.5° | 170.8° |
| H42 | C13 | C48 | H44 | 25.6° | 69.3° |
| H43 | C48 | C49 | H45 | 160.4° | 179.9° |
| H43 | C48 | C49 | H46 | 41.2° | 60.1° |
| H44 | C48 | C49 | H45 | 81.6° | 60.0° |
| H44 | C48 | C49 | H46 | 159.2° | 179.9° |
| H49 | C53 | H50 | H51 | 120.0° | 120.0° |
| H52 | C54 | H53 | H54 | 120.0° | 120.0° |
| H55 | C55 | C56 | H57 | 169.4° | 178.2° |
| H55 | C55 | C56 | H58 | 70.7° | 58.2° |
| H56 | C55 | C56 | H57 | 50.9° | 61.9° |
| H56 | C55 | C56 | H58 | 170.8° | 178.1° |
| H59 | N59 | C1P | H66 | 60.6° | 116.5° |
| H59 | N59 | C1P | H67 | 179.5° | 123.5° |
| H60 | C18 | C60 | H61 | 155.6° | 174.3° |
| H60 | C18 | C60 | H62 | 84.8° | 65.7° |
| H60 | C18 | C19 | H65 | 159.6° | 144.8° |
| H66 | C1P | C2P | H68 | 64.9° | 67.4° |
| H66 | C1P | C2P | H69 | 174.6° | 172.6° |
| H67 | C1P | C2P | H68 | 54.0° | 52.6° |
| H67 | C1P | C2P | H69 | 66.5° | 67.4° |
| H71 | C3R | C2R | H72 | 38.9° | 0.1° |
| H71 | C3R | C4R | H75 | 95.3° | 146.5° |
| H72 | C2R | O7R | H73 | 57.7° | 57.3° |
| H72 | C2R | C1R | H74 | 36.4° | 24.3° |
| H75 | C4R | C5R | H76 | 62.3° | 67.4° |
| H75 | C4R | C5R | H77 | 178.5° | 172.7° |
| H76 | C5R | O8R | H78 | 59.6° | 60.0° |
| H77 | C5R | O8R | H78 | 59.6° | 60.0° |
| H80 | C4B | C5B | H81 | 0.7° | 0.0° |
