OBL
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C46 | C12 | sing | 1.53Å | 1.54Å | |
| C53 | C15 | sing | 1.51Å | 1.50Å | |
| C13 | C48 | sing | 1.53Å | 1.55Å | |
| C13 | C12 | sing | 1.56Å | 1.56Å | |
| C13 | C14 | sing | 1.51Å | 1.57Å | |
| C54 | C17 | sing | 1.53Å | 1.55Å | |
| C48 | C49 | sing | 1.53Å | 1.54Å | |
| O51 | C50 | doub | 1.21Å | 1.24Å | |
| C12 | C11 | sing | 1.51Å | 1.51Å | |
| C12 | C47 | sing | 1.53Å | 1.54Å | |
| C15 | C14 | doub | 1.38Å | 1.37Å | |
| C15 | C16 | sing | 1.42Å | 1.49Å | |
| C14 | N23 | sing | 1.34Å | 1.43Å | |
| C17 | C16 | sing | 1.49Å | 1.52Å | |
| C17 | C55 | sing | 1.53Å | 1.55Å | |
| C17 | C18 | sing | 1.56Å | 1.54Å | |
| C11 | N23 | doub | 1.32Å | 1.34Å | |
| C11 | C10 | sing | 1.40Å | 1.38Å | |
| C16 | N24 | doub | 1.31Å | 1.32Å | |
| C50 | C49 | sing | 1.51Å | 1.51Å | |
| C50 | N52 | sing | 1.35Å | 1.32Å | |
| N23 | CO | sing | 1.79Å | 1.92Å | |
| C55 | C56 | sing | 1.53Å | 1.53Å | |
| C10 | C9 | doub | 1.39Å | 1.40Å | |
| N24 | CO | sing | 1.78Å | 1.88Å | |
| N24 | C19 | sing | 1.47Å | 1.48Å | |
| 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 | 1.53Å | |
| C37 | C7 | sing | 1.53Å | 1.54Å | |
| C38 | O39 | doub | 1.21Å | 1.24Å | |
| CO | N22 | sing | 1.77Å | 1.92Å | |
| CO | N21 | sing | 1.79Å | 1.88Å | |
| C18 | C60 | sing | 1.53Å | 1.54Å | |
| C18 | C19 | sing | 1.55Å | 1.53Å | |
| C60 | C61 | sing | 1.51Å | 1.51Å | |
| C57 | C56 | sing | 1.51Å | 1.52Å | |
| C57 | N59 | sing | 1.35Å | 1.33Å | |
| C19 | C1 | sing | 1.57Å | 1.57Å | |
| C9 | N22 | sing | 1.34Å | 1.35Å | |
| C9 | C8 | sing | 1.50Å | 1.51Å | |
| C1P | N59 | sing | 1.46Å | 1.45Å | |
| C1P | C2P | sing | 1.53Å | 1.57Å | |
| N29 | C27 | sing | 1.35Å | 1.33Å | |
| C61 | O63 | doub | 1.21Å | 1.24Å | |
| N22 | C6 | doub | 1.33Å | 1.40Å | |
| C26 | C27 | sing | 1.51Å | 1.54Å | |
| C26 | C2 | sing | 1.53Å | 1.57Å | |
| C8 | C7 | sing | 1.56Å | 1.55Å | |
| C8 | C41 | sing | 1.53Å | 1.54Å | |
| C7 | C6 | sing | 1.52Å | 1.53Å | |
| C7 | C36 | sing | 1.53Å | 1.55Å | |
| C6 | C5 | sing | 1.41Å | 1.38Å | |
| N21 | C1 | sing | 1.46Å | 1.45Å | |
| N21 | C4 | sing | 1.37Å | 1.30Å | |
| C27 | O28 | doub | 1.21Å | 1.24Å | |
| C1 | C2 | sing | 1.54Å | 1.57Å | |
| C1 | C20 | sing | 1.53Å | 1.52Å | |
| C2P | O3 | sing | 1.43Å | 1.40Å | |
| O8R | C5R | sing | 1.43Å | 1.42Å | |
| C5 | C4 | doub | 1.37Å | 1.50Å | |
| C5 | C35 | sing | 1.51Å | 1.51Å | |
| C4 | C3 | sing | 1.49Å | 1.51Å | |
| C2 | C3 | sing | 1.57Å | 1.57Å | |
| C2 | C25 | sing | 1.53Å | 1.54Å | |
| O3 | P | sing | 1.61Å | 1.61Å | |
| C41 | C42 | sing | 1.53Å | 1.52Å | |
| C42 | C43 | sing | 1.51Å | 1.51Å | |
| C3 | C30 | sing | 1.53Å | 1.54Å | |
| C5R | C4R | sing | 1.53Å | 1.51Å | |
| C43 | O44 | doub | 1.21Å | 1.23Å | |
| C43 | N45 | sing | 1.35Å | 1.32Å | |
| P | O5 | doub | 1.48Å | 1.50Å | |
| P | O4 | sing | 1.61Å | 1.47Å | |
| P | O2 | sing | 1.61Å | 1.63Å | |
| 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 | 1.42Å | |
| 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 | 1.42Å | |
| C2B | N1B | sing | 1.36Å | 1.37Å | Aromatic |
| C2B | N3B | doub | 1.30Å | 1.31Å | Aromatic |
| C1R | N1B | sing | 1.46Å | 1.46Å | |
| C32 | O34 | doub | 1.21Å | 1.23Å | |
| C32 | N33 | sing | 1.35Å | 1.32Å | |
| 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 | 1.38Å | Aromatic |
| C9B | C4B | sing | 1.40Å | 1.39Å | Aromatic |
| C7B | C6B | doub | 1.38Å | 1.39Å | Aromatic |
| C4B | C5B | doub | 1.38Å | 1.39Å | Aromatic |
| C6B | C5B | sing | 1.39Å | 1.42Å | Aromatic |
| C5B | O5M | sing | 1.36Å | 1.37Å | |
| O5M | C5M | sing | 1.43Å | 1.43Å | |
| C8 | H1 | sing | 1.09Å | 1.10Å | |
| C10 | H2 | sing | 1.08Å | 1.08Å | |
| C13 | H3 | sing | 1.09Å | 1.10Å | |
| C18 | H4 | sing | 1.09Å | 1.10Å | |
| C3 | H5 | sing | 1.09Å | 1.10Å | |
| C19 | H6 | sing | 1.09Å | 1.10Å | |
| C26 | H7 | sing | 1.09Å | 1.10Å | |
| C26 | H8 | sing | 1.09Å | 1.10Å | |
| C25 | H9 | sing | 1.09Å | 1.10Å | |
| C25 | H10 | sing | 1.09Å | 1.10Å | |
| C25 | H11 | sing | 1.09Å | 1.10Å | |
| C20 | H12 | sing | 1.09Å | 1.10Å | |
| C20 | H13 | sing | 1.09Å | 1.10Å | |
| C20 | H14 | sing | 1.09Å | 1.10Å | |
| N29 | H15 | sing | 0.97Å | 1.00Å | |
| N29 | H16 | sing | 0.97Å | 1.00Å | |
| C30 | H17 | sing | 1.09Å | 1.10Å | |
| C30 | H18 | sing | 1.09Å | 1.10Å | |
| C31 | H19 | sing | 1.09Å | 1.10Å | |
| C31 | H20 | sing | 1.09Å | 1.10Å | |
| N33 | H21 | sing | 0.97Å | 1.00Å | |
| N33 | H22 | sing | 0.97Å | 1.00Å | |
| C35 | H23 | sing | 1.09Å | 1.10Å | |
| C35 | H24 | sing | 1.09Å | 1.10Å | |
| C35 | H25 | sing | 1.09Å | 1.10Å | |
| C36 | H26 | sing | 1.09Å | 1.10Å | |
| C36 | H27 | sing | 1.09Å | 1.10Å | |
| C36 | H28 | sing | 1.09Å | 1.10Å | |
| C37 | H29 | sing | 1.09Å | 1.10Å | |
| C37 | H30 | sing | 1.09Å | 1.10Å | |
| N40 | H31 | sing | 0.97Å | 1.00Å | |
| N40 | H32 | sing | 0.97Å | 1.00Å | |
| C41 | H33 | sing | 1.09Å | 1.10Å | |
| C41 | H34 | sing | 1.09Å | 1.10Å | |
| C42 | H35 | sing | 1.09Å | 1.10Å | |
| C42 | H36 | sing | 1.09Å | 1.10Å | |
| N45 | H37 | sing | 0.97Å | 1.00Å | |
| N45 | H38 | sing | 0.97Å | 1.00Å | |
| C46 | H39 | sing | 1.09Å | 1.10Å | |
| C46 | H40 | sing | 1.09Å | 1.10Å | |
| C46 | H41 | sing | 1.09Å | 1.10Å | |
| C47 | H42 | sing | 1.09Å | 1.10Å | |
| C47 | H43 | sing | 1.09Å | 1.10Å | |
| C47 | H44 | sing | 1.09Å | 1.10Å | |
| C48 | H45 | sing | 1.09Å | 1.10Å | |
| C48 | H46 | sing | 1.09Å | 1.10Å | |
| C49 | H47 | sing | 1.09Å | 1.10Å | |
| C49 | H48 | sing | 1.09Å | 1.10Å | |
| N52 | H49 | sing | 0.97Å | 1.00Å | |
| N52 | H50 | sing | 0.97Å | 1.00Å | |
| C53 | H51 | sing | 1.09Å | 1.10Å | |
| C53 | H52 | sing | 1.09Å | 1.10Å | |
| C53 | H53 | sing | 1.09Å | 1.10Å | |
| C54 | H54 | sing | 1.09Å | 1.10Å | |
| C54 | H55 | sing | 1.09Å | 1.10Å | |
| C54 | H56 | sing | 1.09Å | 1.10Å | |
| C55 | H57 | sing | 1.09Å | 1.10Å | |
| C55 | H58 | sing | 1.09Å | 1.10Å | |
| C56 | H59 | sing | 1.09Å | 1.10Å | |
| C56 | H60 | sing | 1.09Å | 1.10Å | |
| N59 | H61 | sing | 0.97Å | 1.00Å | |
| C60 | H62 | sing | 1.09Å | 1.10Å | |
| C60 | H63 | sing | 1.09Å | 1.10Å | |
| N62 | H64 | sing | 0.97Å | 1.00Å | |
| N62 | H65 | sing | 0.97Å | 1.00Å | |
| 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 | |
| C6B | H81 | sing | 1.08Å | 1.08Å | |
| C7B | H82 | sing | 1.08Å | 1.08Å | |
| C5M | H83 | sing | 1.09Å | 1.10Å | |
| C5M | H84 | sing | 1.09Å | 1.10Å | |
| C5M | H85 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C46 | C12 | C13 | 109.1° | 110.8° |
| C46 | C12 | C11 | 111.8° | 110.6° |
| C46 | C12 | C47 | 109.0° | 110.6° |
| C12 | C46 | H39 | 109.5° | 109.5° |
| C12 | C46 | H40 | 109.5° | 109.4° |
| C12 | C46 | H41 | 109.5° | 109.5° |
| C53 | C15 | C14 | 121.9° | 117.5° |
| C53 | C15 | C16 | 116.5° | 117.5° |
| C15 | C53 | H51 | 109.5° | 109.5° |
| C15 | C53 | H52 | 109.5° | 109.5° |
| C15 | C53 | H53 | 109.5° | 109.5° |
| C48 | C13 | C12 | 114.2° | 110.6° |
| C48 | C13 | C14 | 116.2° | 110.6° |
| C13 | C48 | C49 | 116.1° | 109.5° |
| C48 | C13 | H3 | 108.0° | 110.6° |
| C13 | C48 | H45 | 107.8° | 109.4° |
| C13 | C48 | H46 | 107.8° | 109.5° |
| C12 | C13 | C14 | 102.3° | 103.5° |
| C13 | C12 | C11 | 103.8° | 103.3° |
| C13 | C12 | C47 | 116.1° | 110.6° |
| C12 | C13 | H3 | 107.8° | 110.6° |
| C13 | C14 | C15 | 123.2° | 129.0° |
| C13 | C14 | N23 | 109.7° | 104.8° |
| C14 | C13 | H3 | 107.8° | 110.7° |
| C54 | C17 | C16 | 108.8° | 110.7° |
| C54 | C17 | C55 | 110.2° | 110.7° |
| C54 | C17 | C18 | 112.9° | 111.0° |
| C17 | C54 | H54 | 109.5° | 109.5° |
| C17 | C54 | H55 | 109.4° | 109.4° |
| C17 | C54 | H56 | 109.5° | 109.5° |
| C48 | C49 | C50 | 112.7° | 109.5° |
| C49 | C48 | H45 | 107.8° | 109.5° |
| C49 | C48 | H46 | 107.8° | 109.5° |
| C48 | C49 | H47 | 108.6° | 109.4° |
| C48 | C49 | H48 | 108.7° | 109.5° |
| O51 | C50 | C49 | 121.1° | 120.0° |
| O51 | C50 | N52 | 122.6° | 120.0° |
| C11 | C12 | C47 | 107.0° | 110.7° |
| C12 | C11 | N23 | 114.5° | 104.5° |
| C12 | C11 | C10 | 120.2° | 131.0° |
| C12 | C47 | H42 | 109.5° | 109.4° |
| C12 | C47 | H43 | 109.5° | 109.5° |
| C12 | C47 | H44 | 109.5° | 109.5° |
| C14 | C15 | C16 | 121.5° | 125.0° |
| C15 | C14 | N23 | 126.8° | 125.2° |
| C15 | C16 | C17 | 127.4° | 134.5° |
| C15 | C16 | N24 | 119.6° | 117.2° |
| C14 | N23 | C11 | 109.5° | 116.1° |
| C14 | N23 | CO | 125.3° | 121.3° |
| C16 | C17 | C55 | 117.8° | 110.8° |
| C16 | C17 | C18 | 99.3° | 102.5° |
| C17 | C16 | N24 | 112.8° | 106.2° |
| C55 | C17 | C18 | 107.5° | 110.8° |
| C17 | C55 | C56 | 113.1° | 109.4° |
| C17 | C55 | H57 | 108.5° | 109.5° |
| C17 | C55 | H58 | 108.5° | 109.5° |
| C17 | C18 | C60 | 116.7° | 110.8° |
| C17 | C18 | C19 | 104.3° | 102.4° |
| C17 | C18 | H4 | 107.5° | 110.8° |
| N23 | C11 | C10 | 125.2° | 124.5° |
| C11 | N23 | CO | 125.1° | 120.1° |
| C11 | C10 | C9 | 123.6° | 125.4° |
| C11 | C10 | H2 | 118.2° | 117.4° |
| C16 | N24 | CO | 135.6° | 131.0° |
| C16 | N24 | C19 | 110.4° | 115.6° |
| C49 | C50 | N52 | 116.3° | 120.0° |
| C50 | C49 | H47 | 108.7° | 109.5° |
| C50 | C49 | H48 | 108.7° | 109.5° |
| C50 | N52 | H49 | 120.0° | 120.0° |
| C50 | N52 | H50 | 120.0° | 120.1° |
| N23 | CO | N24 | 90.7° | 97.9° |
| N23 | CO | N22 | 96.2° | 103.2° |
| N23 | CO | N21 | 167.2° | 132.6° |
| C55 | C56 | C57 | 108.9° | 109.4° |
| C56 | C55 | H57 | 108.6° | 109.5° |
| C56 | C55 | H58 | 108.6° | 109.5° |
| C55 | C56 | H59 | 109.6° | 109.5° |
| C55 | C56 | H60 | 109.6° | 109.5° |
| C10 | C9 | N22 | 128.6° | 122.0° |
| C10 | C9 | C8 | 120.9° | 132.7° |
| C9 | C10 | H2 | 118.2° | 117.3° |
| CO | N24 | C19 | 113.7° | 106.1° |
| N24 | CO | N22 | 172.8° | 138.1° |
| N24 | CO | N21 | 84.0° | 94.2° |
| N24 | C19 | C18 | 102.1° | 102.3° |
| N24 | C19 | C1 | 104.7° | 104.6° |
| N24 | C19 | H6 | 110.2° | 113.2° |
| N40 | C38 | C37 | 115.1° | 120.0° |
| N40 | C38 | O39 | 123.0° | 120.0° |
| C38 | N40 | H31 | 120.0° | 120.0° |
| C38 | N40 | H32 | 120.0° | 120.0° |
| N62 | C61 | C60 | 116.3° | 120.0° |
| N62 | C61 | O63 | 122.9° | 120.0° |
| C61 | N62 | H64 | 120.0° | 120.0° |
| C61 | N62 | H65 | 120.0° | 120.0° |
| O58 | C57 | C56 | 121.4° | 120.0° |
| O58 | C57 | N59 | 122.2° | 120.0° |
| C38 | C37 | C7 | 114.2° | 109.5° |
| C37 | C38 | O39 | 121.9° | 120.0° |
| C38 | C37 | H29 | 108.3° | 109.5° |
| C38 | C37 | H30 | 108.3° | 109.4° |
| C37 | C7 | C8 | 105.2° | 110.8° |
| C37 | C7 | C6 | 111.3° | 110.6° |
| C37 | C7 | C36 | 111.6° | 110.6° |
| C7 | C37 | H29 | 108.3° | 109.5° |
| C7 | C37 | H30 | 108.3° | 109.5° |
| N22 | CO | N21 | 88.8° | 97.5° |
| CO | N22 | C9 | 121.2° | 121.4° |
| CO | N22 | C6 | 129.7° | 121.0° |
| CO | N21 | C1 | 116.1° | 106.5° |
| CO | N21 | C4 | 131.2° | 131.9° |
| C60 | C18 | C19 | 112.8° | 110.8° |
| C18 | C60 | C61 | 110.2° | 109.4° |
| C60 | C18 | H4 | 107.6° | 110.7° |
| C18 | C60 | H62 | 109.3° | 109.5° |
| C18 | C60 | H63 | 109.3° | 109.5° |
| C18 | C19 | C1 | 120.5° | 111.3° |
| C19 | C18 | H4 | 107.6° | 111.0° |
| C18 | C19 | H6 | 109.5° | 112.4° |
| C60 | C61 | O63 | 120.8° | 120.0° |
| C61 | C60 | H62 | 109.3° | 109.5° |
| C61 | C60 | H63 | 109.3° | 109.5° |
| C56 | C57 | N59 | 116.5° | 120.0° |
| C57 | C56 | H59 | 109.6° | 109.5° |
| C57 | C56 | H60 | 109.6° | 109.5° |
| C57 | N59 | C1P | 123.3° | 120.0° |
| C57 | N59 | H61 | 118.4° | 120.0° |
| C19 | C1 | N21 | 104.1° | 104.0° |
| C19 | C1 | C2 | 117.6° | 112.9° |
| C19 | C1 | C20 | 108.5° | 112.6° |
| C1 | C19 | H6 | 109.1° | 112.4° |
| N22 | C9 | C8 | 110.5° | 104.9° |
| C9 | N22 | C6 | 108.7° | 113.8° |
| C9 | C8 | C7 | 101.1° | 101.7° |
| C9 | C8 | C41 | 110.5° | 111.0° |
| C9 | C8 | H1 | 112.4° | 111.0° |
| N59 | C1P | C2P | 113.4° | 109.5° |
| C1P | N59 | H61 | 118.4° | 120.1° |
| N59 | C1P | H66 | 108.5° | 109.5° |
| N59 | C1P | H67 | 108.5° | 109.5° |
| C1P | C2P | O3 | 107.9° | 109.5° |
| C2P | C1P | H66 | 108.5° | 109.4° |
| C2P | C1P | H67 | 108.5° | 109.4° |
| C1P | C2P | H68 | 109.8° | 109.5° |
| C1P | C2P | H69 | 109.8° | 109.4° |
| N29 | C27 | C26 | 116.5° | 120.0° |
| N29 | C27 | O28 | 122.9° | 120.0° |
| C27 | N29 | H15 | 120.0° | 120.0° |
| C27 | N29 | H16 | 120.0° | 120.0° |
| N22 | C6 | C7 | 109.7° | 105.4° |
| N22 | C6 | C5 | 120.7° | 128.5° |
| C27 | C26 | C2 | 116.2° | 109.5° |
| C26 | C27 | O28 | 120.6° | 120.0° |
| C27 | C26 | H7 | 107.8° | 109.4° |
| C27 | C26 | H8 | 107.7° | 109.5° |
| C26 | C2 | C1 | 109.1° | 110.8° |
| C26 | C2 | C3 | 104.8° | 110.7° |
| C26 | C2 | C25 | 113.3° | 110.6° |
| C2 | C26 | H7 | 107.8° | 109.5° |
| C2 | C26 | H8 | 107.8° | 109.5° |
| C7 | C8 | C41 | 108.5° | 111.0° |
| C8 | C7 | C6 | 99.6° | 103.4° |
| C8 | C7 | C36 | 109.9° | 110.7° |
| C7 | C8 | H1 | 111.8° | 110.9° |
| C8 | C41 | C42 | 115.3° | 109.5° |
| C41 | C8 | H1 | 112.0° | 110.9° |
| C8 | C41 | H33 | 108.0° | 109.4° |
| C8 | C41 | H34 | 108.0° | 109.5° |
| C6 | C7 | C36 | 117.8° | 110.7° |
| C7 | C6 | C5 | 129.3° | 126.1° |
| C7 | C36 | H26 | 109.5° | 109.5° |
| C7 | C36 | H27 | 109.5° | 109.5° |
| C7 | C36 | H28 | 109.5° | 109.5° |
| C6 | C5 | C4 | 121.5° | 124.9° |
| C6 | C5 | C35 | 126.3° | 117.6° |
| C1 | N21 | C4 | 112.7° | 116.2° |
| N21 | C1 | C2 | 103.1° | 101.7° |
| N21 | C1 | C20 | 108.2° | 112.6° |
| N21 | C4 | C5 | 123.8° | 115.7° |
| N21 | C4 | C3 | 112.8° | 104.4° |
| C2 | C1 | C20 | 114.4° | 112.3° |
| C1 | C2 | C3 | 101.9° | 103.2° |
| C1 | C2 | C25 | 112.6° | 110.7° |
| C1 | C20 | H12 | 109.5° | 109.5° |
| C1 | C20 | H13 | 109.4° | 109.4° |
| C1 | C20 | H14 | 109.5° | 109.5° |
| C2P | O3 | P | 120.4° | 123.0° |
| O3 | C2P | H68 | 109.9° | 109.5° |
| O3 | C2P | H69 | 109.9° | 109.5° |
| O8R | C5R | C4R | 111.6° | 109.4° |
| O8R | C5R | H76 | 109.0° | 109.5° |
| O8R | C5R | H77 | 109.0° | 109.5° |
| C5R | O8R | H78 | 109.5° | 114.0° |
| C4 | C5 | C35 | 112.1° | 117.6° |
| C5 | C4 | C3 | 123.3° | 138.4° |
| C5 | C35 | H23 | 109.5° | 109.5° |
| C5 | C35 | H24 | 109.5° | 109.5° |
| C5 | C35 | H25 | 109.4° | 109.5° |
| C4 | C3 | C2 | 100.8° | 102.8° |
| C4 | C3 | C30 | 113.9° | 110.7° |
| C4 | C3 | H5 | 109.8° | 110.7° |
| C3 | C2 | C25 | 114.2° | 110.7° |
| C2 | C3 | C30 | 113.8° | 110.8° |
| C2 | C3 | H5 | 108.9° | 110.8° |
| C2 | C25 | H9 | 109.5° | 109.5° |
| C2 | C25 | H10 | 109.5° | 109.5° |
| C2 | C25 | H11 | 109.5° | 109.5° |
| O3 | P | O5 | 106.4° | 109.5° |
| O3 | P | O4 | 111.6° | 109.4° |
| O3 | P | O2 | 100.6° | 109.5° |
| C41 | C42 | C43 | 113.5° | 109.5° |
| C42 | C41 | H33 | 108.0° | 109.5° |
| C42 | C41 | H34 | 108.0° | 109.5° |
| C41 | C42 | H35 | 108.5° | 109.4° |
| C41 | C42 | H36 | 108.5° | 109.4° |
| C42 | C43 | O44 | 121.2° | 120.0° |
| C42 | C43 | N45 | 116.0° | 120.0° |
| C43 | C42 | H35 | 108.4° | 109.5° |
| C43 | C42 | H36 | 108.4° | 109.4° |
| C3 | C30 | C31 | 112.6° | 109.5° |
| C30 | C3 | H5 | 109.3° | 110.8° |
| C3 | C30 | H17 | 108.7° | 109.5° |
| C3 | C30 | H18 | 108.7° | 109.5° |
| C5R | C4R | C3R | 114.2° | 110.4° |
| C5R | C4R | O6R | 108.8° | 110.4° |
| C5R | C4R | H75 | 109.4° | 110.4° |
| C4R | C5R | H76 | 108.9° | 109.4° |
| C4R | C5R | H77 | 108.9° | 109.5° |
| O44 | C43 | N45 | 122.8° | 120.0° |
| C43 | N45 | H37 | 120.0° | 120.0° |
| C43 | N45 | H38 | 120.0° | 120.0° |
| O5 | P | O4 | 119.1° | 109.5° |
| O5 | P | O2 | 107.6° | 109.5° |
| O4 | P | O2 | 109.8° | 109.5° |
| P | O4 | H70 | 109.5° | 114.0° |
| P | O2 | C3R | 124.5° | 123.0° |
| C3R | C4R | O6R | 105.0° | 104.8° |
| C4R | C3R | O2 | 110.4° | 110.5° |
| C4R | C3R | C2R | 102.6° | 104.1° |
| C4R | C3R | H71 | 109.5° | 110.6° |
| C3R | C4R | H75 | 109.1° | 110.4° |
| C4R | O6R | C1R | 110.4° | 105.3° |
| O6R | C4R | H75 | 110.3° | 110.4° |
| C30 | C31 | C32 | 111.4° | 109.5° |
| C31 | C30 | H17 | 108.7° | 109.5° |
| C31 | C30 | H18 | 108.7° | 109.5° |
| C30 | C31 | H19 | 109.0° | 109.5° |
| C30 | C31 | H20 | 109.0° | 109.5° |
| O2 | C3R | C2R | 113.2° | 110.5° |
| O2 | C3R | H71 | 111.1° | 110.4° |
| C3R | C2R | C1R | 100.4° | 104.0° |
| C3R | C2R | O7R | 109.8° | 110.5° |
| C2R | C3R | H71 | 109.6° | 110.5° |
| C3R | C2R | H72 | 110.5° | 110.5° |
| O6R | C1R | C2R | 106.0° | 104.8° |
| O6R | C1R | N1B | 108.1° | 110.4° |
| O6R | C1R | H74 | 109.8° | 110.5° |
| C31 | C32 | O34 | 121.0° | 120.0° |
| C31 | C32 | N33 | 116.0° | 120.0° |
| C32 | C31 | H19 | 109.0° | 109.5° |
| C32 | C31 | H20 | 109.0° | 109.5° |
| C1R | C2R | O7R | 113.4° | 110.5° |
| C2R | C1R | N1B | 115.5° | 110.3° |
| C1R | C2R | H72 | 110.3° | 110.5° |
| C2R | C1R | H74 | 108.2° | 110.4° |
| O7R | C2R | H72 | 111.9° | 110.6° |
| C2R | O7R | H73 | 109.5° | 114.0° |
| N1B | C2B | N3B | 113.8° | 110.1° |
| C2B | N1B | C1R | 127.7° | 126.4° |
| C2B | N1B | C8B | 106.3° | 107.3° |
| N1B | C2B | H79 | 123.1° | 124.9° |
| C2B | N3B | C9B | 104.3° | 109.7° |
| N3B | C2B | H79 | 123.1° | 125.0° |
| C1R | N1B | C8B | 125.9° | 126.4° |
| N1B | C1R | H74 | 109.2° | 110.3° |
| O34 | C32 | N33 | 123.0° | 120.1° |
| C32 | N33 | H21 | 120.0° | 120.1° |
| C32 | N33 | H22 | 120.0° | 120.0° |
| N1B | C8B | C9B | 105.2° | 106.0° |
| N1B | C8B | C7B | 132.9° | 134.0° |
| N3B | C9B | C8B | 110.4° | 107.0° |
| N3B | C9B | C4B | 130.2° | 133.5° |
| C9B | C8B | C7B | 121.9° | 120.0° |
| C8B | C9B | C4B | 119.3° | 119.5° |
| C8B | C7B | C6B | 119.0° | 119.9° |
| C8B | C7B | H82 | 120.5° | 120.0° |
| C9B | C4B | C5B | 120.1° | 119.8° |
| C9B | C4B | H80 | 120.0° | 120.2° |
| C7B | C6B | C5B | 119.9° | 120.4° |
| C7B | C6B | H81 | 120.0° | 119.8° |
| C6B | C7B | H82 | 120.5° | 120.0° |
| C4B | C5B | C6B | 119.8° | 120.4° |
| C4B | C5B | O5M | 120.5° | 119.9° |
| C5B | C4B | H80 | 120.0° | 120.1° |
| C6B | C5B | O5M | 119.6° | 119.8° |
| C5B | C6B | H81 | 120.0° | 119.7° |
| C5B | O5M | C5M | 117.5° | 117.0° |
| O5M | C5M | H83 | 109.5° | 109.5° |
| O5M | C5M | H84 | 109.5° | 109.4° |
| O5M | C5M | H85 | 109.5° | 109.5° |
| H7 | C26 | H8 | 109.4° | 109.5° |
| H9 | C25 | H10 | 109.5° | 109.5° |
| H9 | C25 | H11 | 109.4° | 109.5° |
| H10 | C25 | H11 | 109.5° | 109.5° |
| H12 | C20 | H13 | 109.5° | 109.5° |
| H12 | C20 | H14 | 109.4° | 109.5° |
| H13 | C20 | H14 | 109.5° | 109.5° |
| H15 | N29 | H16 | 120.0° | 120.0° |
| H17 | C30 | H18 | 109.4° | 109.5° |
| H19 | C31 | H20 | 109.5° | 109.4° |
| H21 | N33 | H22 | 120.0° | 120.0° |
| H23 | C35 | H24 | 109.5° | 109.5° |
| H23 | C35 | H25 | 109.5° | 109.4° |
| H24 | C35 | H25 | 109.5° | 109.4° |
| H26 | C36 | H27 | 109.4° | 109.5° |
| H26 | C36 | H28 | 109.5° | 109.4° |
| H27 | C36 | H28 | 109.5° | 109.4° |
| H29 | C37 | H30 | 109.5° | 109.5° |
| H31 | N40 | H32 | 120.0° | 120.0° |
| H33 | C41 | H34 | 109.5° | 109.4° |
| H35 | C42 | H36 | 109.5° | 109.5° |
| H37 | N45 | H38 | 120.0° | 120.0° |
| H39 | C46 | H40 | 109.4° | 109.5° |
| H39 | C46 | H41 | 109.4° | 109.5° |
| H40 | C46 | H41 | 109.5° | 109.5° |
| H42 | C47 | H43 | 109.4° | 109.5° |
| H42 | C47 | H44 | 109.5° | 109.5° |
| H43 | C47 | H44 | 109.5° | 109.5° |
| H45 | C48 | H46 | 109.5° | 109.5° |
| H47 | C49 | H48 | 109.5° | 109.4° |
| H49 | N52 | H50 | 120.0° | 120.0° |
| H51 | C53 | H52 | 109.5° | 109.5° |
| H51 | C53 | H53 | 109.5° | 109.4° |
| H52 | C53 | H53 | 109.5° | 109.4° |
| H54 | C54 | H55 | 109.5° | 109.5° |
| H54 | C54 | H56 | 109.5° | 109.5° |
| H55 | C54 | H56 | 109.5° | 109.4° |
| H57 | C55 | H58 | 109.4° | 109.4° |
| H59 | C56 | H60 | 109.4° | 109.5° |
| H62 | C60 | H63 | 109.5° | 109.4° |
| H64 | N62 | H65 | 120.0° | 120.0° |
| H66 | C1P | H67 | 109.5° | 109.4° |
| H68 | C2P | H69 | 109.5° | 109.5° |
| H76 | C5R | H77 | 109.5° | 109.5° |
| H83 | C5M | H84 | 109.5° | 109.4° |
| H83 | C5M | H85 | 109.5° | 109.5° |
| H84 | C5M | H85 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C46 | C12 | C13 | C48 | 110.3° | 119.7° |
| C46 | C12 | C13 | C11 | 119.3° | 118.5° |
| C46 | C12 | C13 | C47 | 123.5° | 123.1° |
| C46 | C12 | C13 | C14 | 123.3° | 121.8° |
| C46 | C12 | C11 | C47 | 119.2° | 123.0° |
| C46 | C12 | C11 | N23 | 119.8° | 136.9° |
| C46 | C12 | C11 | C10 | 63.7° | 41.2° |
| C46 | C12 | C13 | H3 | 9.9° | 3.2° |
| C12 | C46 | H39 | H40 | 120.0° | 120.0° |
| C12 | C46 | H39 | H41 | 120.0° | 120.0° |
| C12 | C46 | H40 | H41 | 120.0° | 120.0° |
| C46 | C12 | C47 | H42 | 180.0° | 61.5° |
| C46 | C12 | C47 | H43 | 60.0° | 58.5° |
| C46 | C12 | C47 | H44 | 60.0° | 178.5° |
| C53 | C15 | C14 | C13 | 2.5° | 2.2° |
| C53 | C15 | C14 | C16 | 179.3° | 180.0° |
| C53 | C15 | C14 | N23 | 170.4° | 164.3° |
| C53 | C15 | C16 | C17 | 1.6° | 21.8° |
| C53 | C15 | C16 | N24 | 173.5° | 177.2° |
| C15 | C53 | H51 | H52 | 120.0° | 120.1° |
| C15 | C53 | H51 | H53 | 120.0° | 120.0° |
| C15 | C53 | H52 | H53 | 120.0° | 120.0° |
| C48 | C13 | C12 | C14 | 126.4° | 118.5° |
| C48 | C13 | C12 | H3 | 120.1° | 122.9° |
| C48 | C13 | C14 | H3 | 121.3° | 122.9° |
| C13 | C48 | C49 | H45 | 120.9° | 120.0° |
| C13 | C48 | C49 | H46 | 121.0° | 120.0° |
| C48 | C13 | C12 | C11 | 130.4° | 121.8° |
| C48 | C13 | C12 | C47 | 13.3° | 3.4° |
| C48 | C13 | C14 | C15 | 56.2° | 85.3° |
| C48 | C13 | C14 | N23 | 129.8° | 106.0° |
| C13 | C48 | C49 | C50 | 163.1° | 175.1° |
| C13 | C48 | H45 | H46 | 117.0° | 120.0° |
| C13 | C48 | C49 | H47 | 42.6° | 64.9° |
| C13 | C48 | C49 | H48 | 76.4° | 55.0° |
| C12 | C13 | C14 | H3 | 113.5° | 118.6° |
| C12 | C13 | C48 | C49 | 91.5° | 179.0° |
| C13 | C12 | C11 | C47 | 123.3° | 118.4° |
| C12 | C13 | C14 | C15 | 178.6° | 156.2° |
| C12 | C13 | C14 | N23 | 4.7° | 12.5° |
| C13 | C12 | C11 | N23 | 2.3° | 18.3° |
| C13 | C12 | C11 | C10 | 178.8° | 159.8° |
| C13 | C12 | C46 | H39 | 180.0° | 55.4° |
| C13 | C12 | C46 | H40 | 60.0° | 64.6° |
| C13 | C12 | C46 | H41 | 60.0° | 175.4° |
| C13 | C12 | C47 | H42 | 56.4° | 175.3° |
| C13 | C12 | C47 | H43 | 176.4° | 64.7° |
| C13 | C12 | C47 | H44 | 63.6° | 55.3° |
| C12 | C13 | C48 | H45 | 29.4° | 61.0° |
| C12 | C13 | C48 | H46 | 147.5° | 59.0° |
| C14 | C13 | C48 | C49 | 27.3° | 67.0° |
| C14 | C13 | C12 | C11 | 4.0° | 3.3° |
| C14 | C13 | C12 | C47 | 113.2° | 115.1° |
| C13 | C14 | C15 | N23 | 172.9° | 166.5° |
| C13 | C14 | C15 | C16 | 178.2° | 177.7° |
| C13 | C14 | N23 | C11 | 3.5° | 28.0° |
| C13 | C14 | N23 | CO | 179.7° | 169.9° |
| C14 | C13 | C48 | H45 | 148.2° | 53.0° |
| C14 | C13 | C48 | H46 | 93.7° | 173.0° |
| C54 | C17 | C16 | C15 | 75.8° | 111.8° |
| C54 | C17 | C16 | C55 | 126.3° | 123.3° |
| C54 | C17 | C16 | C18 | 118.2° | 118.4° |
| C54 | C17 | C55 | C18 | 123.5° | 123.6° |
| C54 | C17 | C16 | N24 | 99.6° | 85.7° |
| C54 | C17 | C55 | C56 | 176.5° | 170.3° |
| C54 | C17 | C18 | C60 | 40.3° | 29.9° |
| C54 | C17 | C18 | C19 | 84.8° | 88.3° |
| C54 | C17 | C18 | H4 | 161.1° | 153.3° |
| C17 | C54 | H54 | H55 | 120.0° | 120.0° |
| C17 | C54 | H54 | H56 | 120.0° | 120.1° |
| C17 | C54 | H55 | H56 | 120.0° | 120.0° |
| C54 | C17 | C55 | H57 | 55.9° | 69.7° |
| C54 | C17 | C55 | H58 | 63.0° | 50.3° |
| C48 | C49 | C50 | O51 | 7.6° | 7.1° |
| C48 | C49 | C50 | H47 | 120.5° | 120.0° |
| C48 | C49 | C50 | H48 | 120.5° | 120.0° |
| C48 | C49 | C50 | N52 | 173.2° | 172.9° |
| C49 | C48 | C13 | H3 | 148.5° | 56.1° |
| C49 | C48 | H45 | H46 | 117.0° | 120.0° |
| C48 | C49 | H47 | H48 | 118.5° | 119.9° |
| O51 | C50 | C49 | N52 | 179.2° | 180.0° |
| O51 | C50 | C49 | H47 | 112.9° | 112.9° |
| O51 | C50 | C49 | H48 | 128.1° | 127.1° |
| O51 | C50 | N52 | H49 | 0.0° | 175.0° |
| O51 | C50 | N52 | H50 | 180.0° | 5.1° |
| C12 | C11 | N23 | C14 | 0.7° | 30.3° |
| C12 | C11 | N23 | C10 | 176.3° | 178.2° |
| C12 | C11 | N23 | CO | 177.5° | 167.4° |
| C12 | C11 | C10 | C9 | 178.5° | 175.1° |
| C12 | C11 | C10 | H2 | 1.5° | 4.9° |
| C11 | C12 | C13 | H3 | 109.5° | 115.3° |
| C11 | C12 | C46 | H39 | 65.8° | 58.5° |
| C11 | C12 | C46 | H40 | 54.2° | 178.5° |
| C11 | C12 | C46 | H41 | 174.3° | 61.5° |
| C11 | C12 | C47 | H42 | 58.9° | 61.4° |
| C11 | C12 | C47 | H43 | 61.0° | 178.5° |
| C11 | C12 | C47 | H44 | 179.0° | 58.5° |
| C47 | C12 | C11 | N23 | 121.0° | 100.2° |
| C47 | C12 | C11 | C10 | 55.6° | 81.8° |
| C47 | C12 | C13 | H3 | 133.4° | 126.3° |
| C47 | C12 | C46 | H39 | 52.3° | 178.5° |
| C47 | C12 | C46 | H40 | 172.3° | 58.5° |
| C47 | C12 | C46 | H41 | 67.7° | 61.5° |
| C12 | C47 | H42 | H43 | 120.0° | 120.0° |
| C12 | C47 | H42 | H44 | 120.0° | 120.0° |
| C12 | C47 | H43 | H44 | 120.0° | 120.0° |
| C14 | C15 | C16 | C17 | 179.1° | 158.2° |
| C15 | C14 | N23 | C11 | 177.2° | 141.1° |
| C14 | C15 | C16 | N24 | 5.8° | 2.9° |
| C15 | C14 | N23 | CO | 6.0° | 20.9° |
| C15 | C14 | C13 | H3 | 65.1° | 37.6° |
| C14 | C15 | C53 | H51 | 180.0° | 5.5° |
| C14 | C15 | C53 | H52 | 60.0° | 125.6° |
| C14 | C15 | C53 | H53 | 60.0° | 114.5° |
| C16 | C15 | C14 | N23 | 8.9° | 15.8° |
| C15 | C16 | C17 | N24 | 175.4° | 162.5° |
| C15 | C16 | C17 | C55 | 50.5° | 11.4° |
| C15 | C16 | C17 | C18 | 166.0° | 129.7° |
| C15 | C16 | N24 | CO | 0.1° | 2.7° |
| C15 | C16 | N24 | C19 | 174.1° | 142.9° |
| C16 | C15 | C53 | H51 | 0.7° | 174.5° |
| C16 | C15 | C53 | H52 | 120.7° | 54.5° |
| C16 | C15 | C53 | H53 | 119.3° | 65.5° |
| C14 | N23 | C11 | CO | 176.8° | 162.3° |
| C14 | N23 | C11 | C10 | 175.6° | 147.9° |
| C14 | N23 | CO | N24 | 0.6° | 12.7° |
| C14 | N23 | CO | N22 | 177.6° | 156.2° |
| C14 | N23 | CO | N21 | 64.6° | 90.4° |
| N23 | C14 | C13 | H3 | 108.9° | 131.0° |
| C16 | C17 | C55 | C18 | 111.0° | 113.1° |
| C16 | C17 | C55 | C56 | 50.9° | 66.5° |
| C17 | C16 | N24 | CO | 175.8° | 168.7° |
| C17 | C16 | N24 | C19 | 1.7° | 23.2° |
| C16 | C17 | C18 | C60 | 155.3° | 148.2° |
| C16 | C17 | C18 | C19 | 30.2° | 30.0° |
| C16 | C17 | C18 | H4 | 83.9° | 88.5° |
| C16 | C17 | C54 | H54 | 180.0° | 58.6° |
| C16 | C17 | C54 | H55 | 60.0° | 178.6° |
| C16 | C17 | C54 | H56 | 60.0° | 61.5° |
| C16 | C17 | C55 | H57 | 69.7° | 53.6° |
| C16 | C17 | C55 | H58 | 171.5° | 173.6° |
| C55 | C17 | C16 | N24 | 134.1° | 151.1° |
| C17 | C55 | C56 | H57 | 120.5° | 120.0° |
| C17 | C55 | C56 | H58 | 120.5° | 120.0° |
| C55 | C17 | C18 | C60 | 81.5° | 93.5° |
| C55 | C17 | C18 | C19 | 153.4° | 148.3° |
| C17 | C55 | C56 | C57 | 169.2° | 172.7° |
| C55 | C17 | C18 | H4 | 39.3° | 29.8° |
| C55 | C17 | C54 | H54 | 49.5° | 178.1° |
| C55 | C17 | C54 | H55 | 70.5° | 58.1° |
| C55 | C17 | C54 | H56 | 169.5° | 61.9° |
| C17 | C55 | H57 | H58 | 118.3° | 120.0° |
| C17 | C55 | C56 | H59 | 70.9° | 52.7° |
| C17 | C55 | C56 | H60 | 49.3° | 67.3° |
| C18 | C17 | C16 | N24 | 18.6° | 32.8° |
| C18 | C17 | C55 | C56 | 60.1° | 46.7° |
| C17 | C18 | C19 | N24 | 32.2° | 17.5° |
| C17 | C18 | C60 | C19 | 120.6° | 113.0° |
| C17 | C18 | C60 | H4 | 120.8° | 123.4° |
| C17 | C18 | C19 | H4 | 114.0° | 118.3° |
| C17 | C18 | C60 | C61 | 82.2° | 69.3° |
| C17 | C18 | C19 | C1 | 147.6° | 128.7° |
| C17 | C18 | C19 | H6 | 84.7° | 104.2° |
| C18 | C17 | C54 | H54 | 70.8° | 54.6° |
| C18 | C17 | C54 | H55 | 169.2° | 65.4° |
| C18 | C17 | C54 | H56 | 49.2° | 174.6° |
| C18 | C17 | C55 | H57 | 179.4° | 166.7° |
| C18 | C17 | C55 | H58 | 60.5° | 73.3° |
| C17 | C18 | C60 | H62 | 37.9° | 50.8° |
| C17 | C18 | C60 | H63 | 157.6° | 170.8° |
| N23 | C11 | C10 | C9 | 2.4° | 7.2° |
| C11 | N23 | CO | N24 | 176.9° | 148.6° |
| C11 | N23 | CO | N22 | 1.3° | 5.1° |
| C11 | N23 | CO | N21 | 111.7° | 108.3° |
| N23 | C11 | C10 | H2 | 177.6° | 172.8° |
| C10 | C11 | N23 | CO | 1.2° | 14.4° |
| C11 | C10 | C9 | H2 | 180.0° | 180.0° |
| C11 | C10 | C9 | N22 | 0.1° | 12.3° |
| C11 | C10 | C9 | C8 | 176.1° | 176.6° |
| C16 | N24 | CO | N23 | 2.2° | 1.8° |
| C16 | N24 | CO | C19 | 174.0° | 147.9° |
| C16 | N24 | CO | N22 | 167.6° | 121.7° |
| C16 | N24 | CO | N21 | 170.5° | 132.3° |
| C16 | N24 | C19 | C18 | 21.4° | 2.8° |
| C16 | N24 | C19 | C1 | 147.8° | 113.4° |
| C16 | N24 | C19 | H6 | 94.9° | 124.0° |
| C50 | C49 | C48 | H45 | 76.0° | 55.1° |
| C50 | C49 | C48 | H46 | 42.1° | 64.9° |
| C50 | C49 | H47 | H48 | 118.5° | 120.1° |
| C49 | C50 | N52 | H49 | 179.2° | 5.1° |
| C49 | C50 | N52 | H50 | 0.8° | 174.9° |
| N52 | C50 | C49 | H47 | 66.4° | 67.2° |
| N52 | C50 | C49 | H48 | 52.7° | 52.8° |
| C50 | N52 | H49 | H50 | 180.0° | 180.0° |
| N23 | CO | N24 | N22 | 165.4° | 119.9° |
| N23 | CO | N24 | N21 | 168.4° | 134.0° |
| N23 | CO | N24 | C19 | 176.2° | 149.7° |
| N23 | CO | N22 | N21 | 168.3° | 137.1° |
| N23 | CO | N22 | C9 | 3.2° | 11.8° |
| N23 | CO | N22 | C6 | 168.4° | 144.6° |
| N23 | CO | N21 | C1 | 53.3° | 89.2° |
| N23 | CO | N21 | C4 | 129.1° | 118.5° |
| C55 | C56 | C57 | O58 | 43.6° | 9.1° |
| C55 | C56 | C57 | H59 | 119.9° | 120.0° |
| C55 | C56 | C57 | H60 | 119.9° | 119.9° |
| C55 | C56 | C57 | N59 | 137.4° | 170.9° |
| C56 | C55 | H57 | H58 | 118.4° | 120.0° |
| C55 | C56 | H59 | H60 | 120.3° | 120.0° |
| C10 | C9 | N22 | CO | 3.2° | 20.7° |
| C10 | C9 | N22 | C8 | 176.5° | 173.3° |
| C10 | C9 | N22 | C6 | 170.0° | 137.3° |
| C10 | C9 | C8 | C7 | 154.4° | 144.9° |
| C10 | C9 | C8 | C41 | 90.9° | 26.8° |
| C10 | C9 | C8 | H1 | 35.0° | 97.0° |
| N24 | CO | N22 | N21 | 2.9° | 104.8° |
| CO | N24 | C19 | C18 | 163.0° | 156.4° |
| CO | N24 | C19 | C1 | 36.6° | 40.2° |
| N24 | CO | N22 | C9 | 162.1° | 106.4° |
| N24 | CO | N22 | C6 | 26.3° | 97.2° |
| N24 | CO | N21 | C1 | 12.5° | 15.5° |
| N24 | CO | N21 | C4 | 165.0° | 136.8° |
| CO | N24 | C19 | H6 | 80.6° | 82.4° |
| C19 | N24 | CO | N22 | 18.4° | 90.4° |
| C19 | N24 | CO | N21 | 15.5° | 15.6° |
| N24 | C19 | C18 | C60 | 159.7° | 135.8° |
| N24 | C19 | C18 | C1 | 115.4° | 111.2° |
| N24 | C19 | C18 | H6 | 116.8° | 121.7° |
| N24 | C19 | C1 | H6 | 118.0° | 123.1° |
| N24 | C19 | C1 | N21 | 42.8° | 52.6° |
| N24 | C19 | C1 | C2 | 156.0° | 162.0° |
| N24 | C19 | C1 | C20 | 72.2° | 69.5° |
| N24 | C19 | C18 | H4 | 81.8° | 100.8° |
| N40 | C38 | C37 | O39 | 178.6° | 179.9° |
| N40 | C38 | C37 | C7 | 125.8° | 178.1° |
| N40 | C38 | C37 | H29 | 5.1° | 61.9° |
| N40 | C38 | C37 | H30 | 113.5° | 58.1° |
| C38 | N40 | H31 | H32 | 180.0° | 179.9° |
| N62 | C61 | C60 | C18 | 121.8° | 166.3° |
| N62 | C61 | C60 | O63 | 179.7° | 180.0° |
| N62 | C61 | C60 | H62 | 1.6° | 46.3° |
| N62 | C61 | C60 | H63 | 118.1° | 73.7° |
| C61 | N62 | H64 | H65 | 180.0° | 180.0° |
| O58 | C57 | C56 | N59 | 179.0° | 180.0° |
| O58 | C57 | N59 | C1P | 4.0° | 6.2° |
| O58 | C57 | C56 | H59 | 76.3° | 129.1° |
| O58 | C57 | C56 | H60 | 163.5° | 110.8° |
| O58 | C57 | N59 | H61 | 176.0° | 173.8° |
| C38 | C37 | C7 | H29 | 120.7° | 120.1° |
| C38 | C37 | C7 | H30 | 120.7° | 119.9° |
| C38 | C37 | C7 | C8 | 172.2° | 58.1° |
| C38 | C37 | C7 | C6 | 80.9° | 55.9° |
| C38 | C37 | C7 | C36 | 53.0° | 178.9° |
| C38 | C37 | H29 | H30 | 117.8° | 120.0° |
| C37 | C38 | N40 | H31 | 178.7° | 0.1° |
| C37 | C38 | N40 | H32 | 1.4° | 180.0° |
| C7 | C37 | C38 | O39 | 55.6° | 2.0° |
| C37 | C7 | C8 | C9 | 85.2° | 130.6° |
| C37 | C7 | C6 | N22 | 85.5° | 111.9° |
| C37 | C7 | C8 | C6 | 115.3° | 118.5° |
| C37 | C7 | C8 | C36 | 120.3° | 123.0° |
| C37 | C7 | C8 | C41 | 158.6° | 111.2° |
| C37 | C7 | C6 | C36 | 130.7° | 122.9° |
| C37 | C7 | C6 | C5 | 100.4° | 70.6° |
| C37 | C7 | C8 | H1 | 34.6° | 12.5° |
| C37 | C7 | C36 | H26 | 180.0° | 56.7° |
| C37 | C7 | C36 | H27 | 60.0° | 63.3° |
| C37 | C7 | C36 | H28 | 60.0° | 176.7° |
| C7 | C37 | H29 | H30 | 117.9° | 120.0° |
| O39 | C38 | C37 | H29 | 176.3° | 118.0° |
| O39 | C38 | C37 | H30 | 65.1° | 122.0° |
| O39 | C38 | N40 | H31 | 0.0° | 180.0° |
| O39 | C38 | N40 | H32 | 180.0° | 0.1° |
| CO | N22 | C9 | C6 | 173.2° | 158.0° |
| CO | N22 | C9 | C8 | 173.4° | 166.1° |
| CO | N22 | C6 | C7 | 164.1° | 174.7° |
| CO | N22 | C6 | C5 | 21.2° | 7.8° |
| N22 | CO | N21 | C1 | 167.1° | 155.1° |
| N22 | CO | N21 | C4 | 15.3° | 2.8° |
| CO | N21 | C1 | C19 | 34.4° | 39.9° |
| N21 | CO | N22 | C9 | 165.1° | 148.8° |
| N21 | CO | N22 | C6 | 23.4° | 7.6° |
| CO | N21 | C1 | C4 | 178.0° | 157.3° |
| CO | N21 | C1 | C2 | 157.6° | 157.4° |
| CO | N21 | C1 | C20 | 80.8° | 82.2° |
| CO | N21 | C4 | C5 | 5.4° | 3.0° |
| CO | N21 | C4 | C3 | 174.9° | 171.7° |
| C60 | C18 | C19 | H4 | 118.5° | 123.5° |
| C18 | C60 | C61 | H62 | 120.1° | 120.0° |
| C18 | C60 | C61 | H63 | 120.1° | 120.0° |
| C60 | C18 | C19 | C1 | 84.9° | 113.0° |
| C18 | C60 | C61 | O63 | 58.0° | 13.7° |
| C60 | C18 | C19 | H6 | 42.8° | 14.1° |
| C18 | C60 | H62 | H63 | 119.7° | 120.0° |
| C19 | C18 | C60 | C61 | 157.1° | 177.8° |
| C18 | C19 | C1 | H6 | 127.9° | 127.1° |
| C18 | C19 | C1 | N21 | 156.8° | 162.4° |
| C18 | C19 | C1 | C2 | 90.0° | 88.2° |
| C18 | C19 | C1 | C20 | 41.8° | 40.2° |
| C19 | C18 | C60 | H62 | 82.8° | 62.2° |
| C19 | C18 | C60 | H63 | 37.0° | 57.8° |
| C61 | C60 | C18 | H4 | 38.6° | 54.2° |
| C61 | C60 | H62 | H63 | 119.6° | 120.0° |
| C60 | C61 | N62 | H64 | 179.7° | 0.0° |
| C60 | C61 | N62 | H65 | 0.3° | 180.0° |
| C56 | C57 | N59 | C1P | 177.1° | 173.8° |
| C57 | C56 | C55 | H57 | 48.6° | 67.2° |
| C57 | C56 | C55 | H58 | 70.3° | 52.8° |
| C57 | C56 | H59 | H60 | 120.3° | 120.0° |
| C56 | C57 | N59 | H61 | 2.9° | 6.2° |
| C57 | N59 | C1P | H61 | 180.0° | 180.0° |
| C57 | N59 | C1P | C2P | 115.9° | 176.6° |
| N59 | C57 | C56 | H59 | 102.6° | 50.9° |
| N59 | C57 | C56 | H60 | 17.5° | 69.2° |
| C57 | N59 | C1P | H66 | 123.6° | 56.7° |
| C57 | N59 | C1P | H67 | 4.7° | 63.4° |
| C19 | C1 | C2 | C26 | 31.6° | 12.4° |
| C19 | C1 | N21 | C2 | 123.2° | 117.5° |
| C19 | C1 | N21 | C20 | 115.2° | 122.2° |
| C19 | C1 | N21 | C4 | 143.6° | 117.4° |
| C19 | C1 | C2 | C20 | 129.0° | 128.6° |
| C19 | C1 | C2 | C3 | 142.1° | 130.9° |
| C19 | C1 | C2 | C25 | 95.1° | 110.7° |
| C1 | C19 | C18 | H4 | 33.5° | 10.4° |
| C19 | C1 | C20 | H12 | 180.0° | 172.8° |
| C19 | C1 | C20 | H13 | 60.0° | 52.8° |
| C19 | C1 | C20 | H14 | 60.0° | 67.2° |
| N22 | C9 | C8 | C7 | 28.8° | 27.3° |
| N22 | C9 | C8 | C41 | 86.0° | 145.4° |
| C9 | N22 | C6 | C7 | 8.3° | 27.2° |
| C9 | N22 | C6 | C5 | 166.4° | 150.3° |
| N22 | C9 | C8 | H1 | 148.2° | 90.7° |
| N22 | C9 | C10 | H2 | 179.9° | 167.7° |
| C8 | C9 | N22 | C6 | 13.5° | 36.0° |
| C9 | C8 | C7 | C41 | 116.2° | 118.2° |
| C9 | C8 | C7 | H1 | 119.8° | 118.1° |
| C9 | C8 | C41 | H1 | 126.1° | 124.0° |
| C9 | C8 | C7 | C6 | 30.1° | 12.1° |
| C9 | C8 | C7 | C36 | 154.5° | 106.4° |
| C9 | C8 | C41 | C42 | 50.2° | 74.4° |
| C8 | C9 | C10 | H2 | 3.9° | 3.4° |
| C9 | C8 | C41 | H33 | 70.7° | 45.6° |
| C9 | C8 | C41 | H34 | 171.1° | 165.6° |
| N59 | C1P | C2P | H66 | 120.6° | 120.0° |
| N59 | C1P | C2P | H67 | 120.6° | 120.0° |
| N59 | C1P | C2P | O3 | 67.6° | 75.5° |
| N59 | C1P | H66 | H67 | 118.2° | 120.1° |
| N59 | C1P | C2P | H68 | 172.7° | 164.5° |
| N59 | C1P | C2P | H69 | 52.2° | 44.5° |
| C1P | C2P | O3 | H68 | 119.7° | 120.0° |
| C1P | C2P | O3 | H69 | 119.7° | 120.0° |
| C1P | C2P | O3 | P | 171.3° | 174.3° |
| C2P | C1P | N59 | H61 | 64.1° | 3.3° |
| C2P | C1P | H66 | H67 | 118.2° | 119.9° |
| C1P | C2P | H68 | H69 | 120.7° | 120.0° |
| N29 | C27 | C26 | O28 | 179.1° | 179.9° |
| N29 | C27 | C26 | C2 | 163.4° | 180.0° |
| N29 | C27 | C26 | H7 | 75.6° | 60.1° |
| N29 | C27 | C26 | H8 | 42.4° | 59.9° |
| C27 | N29 | H15 | H16 | 180.0° | 179.9° |
| O63 | C61 | C60 | H62 | 178.1° | 133.8° |
| O63 | C61 | C60 | H63 | 62.1° | 106.3° |
| O63 | C61 | N62 | H64 | 0.0° | 180.0° |
| O63 | C61 | N62 | H65 | 180.0° | 0.0° |
| N22 | C6 | C7 | C8 | 25.1° | 6.8° |
| N22 | C6 | C7 | C5 | 174.1° | 177.6° |
| N22 | C6 | C7 | C36 | 143.7° | 125.2° |
| N22 | C6 | C5 | C4 | 3.3° | 0.3° |
| N22 | C6 | C5 | C35 | 174.8° | 179.8° |
| C27 | C26 | C2 | H7 | 121.0° | 119.9° |
| C27 | C26 | C2 | H8 | 121.0° | 120.0° |
| C27 | C26 | C2 | C1 | 179.1° | 172.7° |
| C27 | C26 | C2 | C3 | 70.5° | 58.8° |
| C27 | C26 | C2 | C25 | 54.6° | 64.2° |
| C27 | C26 | H7 | H8 | 116.9° | 120.0° |
| C26 | C27 | N29 | H15 | 179.0° | 0.1° |
| C26 | C27 | N29 | H16 | 0.9° | 180.0° |
| C26 | C2 | C1 | N21 | 82.2° | 98.4° |
| C2 | C26 | C27 | O28 | 15.6° | 0.1° |
| C26 | C2 | C1 | C3 | 110.5° | 118.5° |
| C26 | C2 | C1 | C25 | 126.7° | 123.1° |
| C26 | C2 | C1 | C20 | 160.6° | 141.0° |
| C26 | C2 | C3 | C4 | 87.6° | 86.1° |
| C26 | C2 | C3 | C25 | 124.5° | 123.0° |
| C26 | C2 | C3 | C30 | 150.0° | 155.6° |
| C26 | C2 | C3 | H5 | 27.8° | 32.2° |
| C2 | C26 | H7 | H8 | 117.0° | 120.0° |
| C26 | C2 | C25 | H9 | 180.0° | 178.4° |
| C26 | C2 | C25 | H10 | 60.0° | 58.4° |
| C26 | C2 | C25 | H11 | 60.0° | 61.6° |
| C7 | C8 | C41 | H1 | 123.9° | 123.7° |
| C8 | C7 | C6 | C36 | 118.7° | 118.5° |
| C8 | C7 | C6 | C5 | 149.1° | 170.8° |
| C7 | C8 | C41 | C42 | 160.2° | 173.3° |
| C8 | C7 | C36 | H26 | 63.7° | 179.8° |
| C8 | C7 | C36 | H27 | 176.3° | 59.8° |
| C8 | C7 | C36 | H28 | 56.3° | 60.2° |
| C8 | C7 | C37 | H29 | 51.4° | 62.0° |
| C8 | C7 | C37 | H30 | 67.2° | 178.0° |
| C7 | C8 | C41 | H33 | 39.3° | 66.7° |
| C7 | C8 | C41 | H34 | 78.9° | 53.2° |
| C41 | C8 | C7 | C6 | 86.1° | 130.3° |
| C41 | C8 | C7 | C36 | 38.3° | 11.8° |
| C8 | C41 | C42 | H33 | 120.9° | 120.0° |
| C8 | C41 | C42 | H34 | 120.9° | 120.0° |
| C8 | C41 | C42 | C43 | 153.5° | 175.1° |
| C8 | C41 | H33 | H34 | 117.3° | 120.0° |
| C8 | C41 | C42 | H35 | 85.9° | 55.1° |
| C8 | C41 | C42 | H36 | 32.9° | 64.9° |
| C7 | C6 | C5 | C4 | 176.8° | 177.3° |
| C7 | C6 | C5 | C35 | 1.2° | 2.8° |
| C6 | C7 | C8 | H1 | 149.9° | 106.0° |
| C6 | C7 | C36 | H26 | 49.4° | 66.2° |
| C6 | C7 | C36 | H27 | 70.6° | 173.8° |
| C6 | C7 | C36 | H28 | 169.4° | 53.8° |
| C6 | C7 | C37 | H29 | 158.4° | 176.0° |
| C6 | C7 | C37 | H30 | 39.8° | 64.0° |
| C36 | C7 | C6 | C5 | 30.4° | 52.3° |
| C36 | C7 | C8 | H1 | 85.7° | 135.5° |
| C7 | C36 | H26 | H27 | 120.0° | 120.1° |
| C7 | C36 | H26 | H28 | 120.0° | 120.0° |
| C7 | C36 | H27 | H28 | 120.0° | 120.0° |
| C36 | C7 | C37 | H29 | 67.7° | 61.1° |
| C36 | C7 | C37 | H30 | 173.7° | 58.9° |
| C6 | C5 | C4 | N21 | 4.6° | 5.2° |
| C6 | C5 | C4 | C35 | 178.3° | 180.0° |
| C6 | C5 | C4 | C3 | 175.1° | 168.6° |
| C6 | C5 | C35 | H23 | 180.0° | 155.1° |
| C6 | C5 | C35 | H24 | 60.0° | 35.0° |
| C6 | C5 | C35 | H25 | 60.0° | 85.0° |
| N21 | C1 | C2 | C20 | 117.2° | 120.5° |
| C1 | N21 | C4 | C5 | 177.0° | 147.2° |
| C1 | N21 | C4 | C3 | 2.7° | 21.5° |
| N21 | C1 | C2 | C3 | 28.3° | 20.1° |
| N21 | C1 | C2 | C25 | 151.1° | 138.5° |
| N21 | C1 | C19 | H6 | 75.3° | 70.5° |
| N21 | C1 | C20 | H12 | 67.7° | 55.6° |
| N21 | C1 | C20 | H13 | 52.3° | 64.4° |
| N21 | C1 | C20 | H14 | 172.3° | 175.6° |
| C4 | N21 | C1 | C2 | 20.4° | 0.1° |
| C4 | N21 | C1 | C20 | 101.2° | 120.5° |
| N21 | C4 | C5 | C3 | 179.7° | 163.4° |
| N21 | C4 | C5 | C35 | 177.1° | 174.7° |
| N21 | C4 | C3 | C2 | 16.0° | 32.6° |
| N21 | C4 | C3 | C30 | 106.3° | 85.7° |
| N21 | C4 | C3 | H5 | 130.8° | 150.9° |
| O28 | C27 | C26 | H7 | 105.4° | 120.0° |
| O28 | C27 | C26 | H8 | 136.6° | 120.0° |
| O28 | C27 | N29 | H15 | 0.0° | 180.0° |
| O28 | C27 | N29 | H16 | 180.0° | 0.1° |
| C1 | C2 | C3 | C4 | 26.1° | 32.5° |
| C1 | C2 | C3 | C25 | 121.8° | 118.4° |
| C1 | C2 | C3 | C30 | 96.3° | 85.8° |
| C1 | C2 | C3 | H5 | 141.5° | 150.8° |
| C2 | C1 | C19 | H6 | 38.0° | 38.9° |
| C1 | C2 | C26 | H7 | 58.1° | 67.4° |
| C1 | C2 | C26 | H8 | 59.9° | 52.6° |
| C1 | C2 | C25 | H9 | 55.5° | 55.2° |
| C1 | C2 | C25 | H10 | 64.5° | 64.8° |
| C1 | C2 | C25 | H11 | 175.5° | 175.2° |
| C2 | C1 | C20 | H12 | 46.6° | 58.4° |
| C2 | C1 | C20 | H13 | 166.6° | 178.4° |
| C2 | C1 | C20 | H14 | 73.5° | 61.6° |
| C20 | C1 | C2 | C3 | 88.9° | 100.5° |
| C20 | C1 | C2 | C25 | 33.9° | 18.0° |
| C20 | C1 | C19 | H6 | 169.7° | 167.3° |
| C1 | C20 | H12 | H13 | 120.0° | 119.9° |
| C1 | C20 | H12 | H14 | 120.0° | 120.0° |
| C1 | C20 | H13 | H14 | 120.0° | 120.0° |
| C2P | O3 | P | O5 | 165.9° | 56.2° |
| C2P | O3 | P | O4 | 34.5° | 63.9° |
| C2P | O3 | P | O2 | 82.0° | 176.2° |
| O3 | C2P | C1P | H66 | 53.0° | 44.6° |
| O3 | C2P | C1P | H67 | 171.8° | 164.5° |
| O3 | C2P | H68 | H69 | 120.8° | 120.0° |
| O8R | C5R | C4R | H76 | 120.3° | 119.9° |
| O8R | C5R | C4R | H77 | 120.3° | 120.0° |
| O8R | C5R | C4R | C3R | 67.6° | 175.0° |
| O8R | C5R | C4R | O6R | 175.5° | 69.6° |
| O8R | C5R | C4R | H75 | 55.0° | 52.7° |
| O8R | C5R | H76 | H77 | 119.1° | 120.0° |
| C5 | C4 | C3 | C2 | 164.2° | 132.0° |
| C5 | C4 | C3 | C30 | 73.4° | 109.7° |
| C5 | C4 | C3 | H5 | 49.5° | 13.6° |
| C4 | C5 | C35 | H23 | 1.8° | 24.9° |
| C4 | C5 | C35 | H24 | 121.8° | 145.0° |
| C4 | C5 | C35 | H25 | 118.2° | 95.0° |
| C35 | C5 | C4 | C3 | 3.2° | 11.4° |
| C5 | C35 | H23 | H24 | 120.0° | 120.0° |
| C5 | C35 | H23 | H25 | 120.0° | 120.0° |
| C5 | C35 | H24 | H25 | 120.0° | 120.0° |
| C4 | C3 | C2 | C30 | 122.4° | 118.3° |
| C4 | C3 | C2 | H5 | 115.4° | 118.3° |
| C4 | C3 | C2 | C25 | 147.9° | 150.9° |
| C4 | C3 | C30 | H5 | 123.1° | 123.3° |
| C4 | C3 | C30 | C31 | 145.7° | 66.5° |
| C4 | C3 | C30 | H17 | 25.2° | 53.5° |
| C4 | C3 | C30 | H18 | 93.8° | 173.5° |
| C2 | C3 | C30 | H5 | 122.0° | 123.4° |
| C2 | C3 | C30 | C31 | 99.5° | 179.8° |
| C3 | C2 | C26 | H7 | 50.5° | 178.7° |
| C3 | C2 | C26 | H8 | 168.5° | 61.2° |
| C3 | C2 | C25 | H9 | 60.1° | 58.6° |
| C3 | C2 | C25 | H10 | 179.9° | 178.6° |
| C3 | C2 | C25 | H11 | 59.9° | 61.5° |
| C2 | C3 | C30 | H17 | 140.0° | 59.8° |
| C2 | C3 | C30 | H18 | 21.0° | 60.2° |
| C25 | C2 | C3 | C30 | 25.5° | 32.6° |
| C25 | C2 | C3 | H5 | 96.7° | 90.8° |
| C25 | C2 | C26 | H7 | 175.5° | 55.7° |
| C25 | C2 | C26 | H8 | 66.4° | 175.8° |
| C2 | C25 | H9 | H10 | 120.0° | 120.0° |
| C2 | C25 | H9 | H11 | 120.0° | 120.0° |
| C2 | C25 | H10 | H11 | 120.0° | 120.0° |
| O3 | P | O5 | O4 | 127.1° | 120.0° |
| O3 | P | O5 | O2 | 107.1° | 120.0° |
| O3 | P | O4 | O2 | 110.7° | 120.0° |
| O3 | P | O2 | C3R | 70.1° | 175.0° |
| P | O3 | C2P | H68 | 68.9° | 54.2° |
| P | O3 | C2P | H69 | 51.6° | 65.8° |
| O3 | P | O4 | H70 | 124.6° | 59.9° |
| C41 | C42 | C43 | H35 | 120.6° | 120.0° |
| C41 | C42 | C43 | H36 | 120.6° | 120.0° |
| C41 | C42 | C43 | O44 | 94.4° | 0.0° |
| C41 | C42 | C43 | N45 | 87.1° | 180.0° |
| C42 | C41 | C8 | H1 | 75.9° | 49.5° |
| C42 | C41 | H33 | H34 | 117.3° | 120.0° |
| C41 | C42 | H35 | H36 | 118.2° | 120.0° |
| C42 | C43 | O44 | N45 | 178.3° | 180.0° |
| C43 | C42 | C41 | H33 | 32.6° | 64.9° |
| C43 | C42 | C41 | H34 | 85.6° | 55.1° |
| C43 | C42 | H35 | H36 | 118.2° | 120.0° |
| C42 | C43 | N45 | H37 | 178.4° | 0.0° |
| C42 | C43 | N45 | H38 | 1.6° | 179.9° |
| C3 | C30 | C31 | H17 | 120.5° | 120.0° |
| C3 | C30 | C31 | H18 | 120.5° | 120.0° |
| C3 | C30 | C31 | C32 | 173.7° | 180.0° |
| C3 | C30 | H17 | H18 | 118.6° | 120.0° |
| C3 | C30 | C31 | H19 | 53.5° | 60.0° |
| C3 | C30 | C31 | H20 | 66.0° | 60.0° |
| C5R | C4R | C3R | O6R | 119.1° | 118.8° |
| C5R | C4R | C3R | H75 | 122.7° | 122.3° |
| C5R | C4R | O6R | H75 | 120.0° | 122.3° |
| C5R | C4R | C3R | O2 | 149.6° | 98.5° |
| C5R | C4R | C3R | C2R | 89.4° | 142.8° |
| C5R | C4R | O6R | C1R | 114.5° | 159.3° |
| C5R | C4R | C3R | H71 | 27.0° | 24.1° |
| C4R | C5R | H76 | H77 | 119.0° | 120.0° |
| C4R | C5R | O8R | H78 | 180.0° | 180.0° |
| O44 | C43 | C42 | H35 | 145.0° | 119.9° |
| O44 | C43 | C42 | H36 | 26.1° | 120.0° |
| O44 | C43 | N45 | H37 | 0.0° | 180.0° |
| O44 | C43 | N45 | H38 | 180.0° | 0.0° |
| N45 | C43 | C42 | H35 | 33.5° | 60.0° |
| N45 | C43 | C42 | H36 | 152.3° | 60.0° |
| C43 | N45 | H37 | H38 | 180.0° | 180.0° |
| O5 | P | O4 | O2 | 124.7° | 120.0° |
| O5 | P | O2 | C3R | 41.0° | 55.0° |
| O5 | P | O4 | H70 | 0.0° | 179.9° |
| O4 | P | O2 | C3R | 172.1° | 65.0° |
| P | O2 | C3R | C4R | 111.3° | 125.3° |
| P | O2 | C3R | C2R | 134.3° | 120.0° |
| O2 | P | O4 | H70 | 124.6° | 60.0° |
| P | O2 | C3R | H71 | 10.5° | 2.6° |
| C3R | C4R | O6R | H75 | 117.4° | 118.8° |
| C4R | C3R | O2 | C2R | 114.4° | 114.7° |
| C4R | C3R | O2 | H71 | 121.8° | 122.7° |
| C4R | C3R | C2R | H71 | 116.3° | 118.8° |
| C3R | C4R | O6R | C1R | 8.1° | 40.5° |
| C4R | C3R | C2R | C1R | 38.2° | 0.0° |
| C4R | C3R | C2R | O7R | 157.9° | 118.6° |
| C4R | C3R | C2R | H72 | 78.2° | 118.6° |
| C3R | C4R | C5R | H76 | 172.1° | 55.1° |
| C3R | C4R | C5R | H77 | 52.8° | 65.0° |
| O6R | C4R | C3R | O2 | 91.3° | 142.6° |
| O6R | C4R | C3R | C2R | 29.7° | 24.0° |
| C4R | O6R | C1R | C2R | 16.9° | 40.5° |
| C4R | O6R | C1R | N1B | 107.5° | 78.3° |
| O6R | C4R | C3R | H71 | 146.0° | 94.8° |
| C4R | O6R | C1R | H74 | 133.6° | 159.4° |
| O6R | C4R | C5R | H76 | 55.2° | 170.5° |
| O6R | C4R | C5R | H77 | 64.2° | 50.4° |
| C30 | C31 | C32 | H19 | 120.3° | 120.1° |
| C30 | C31 | C32 | H20 | 120.3° | 120.0° |
| C30 | C31 | C32 | O34 | 38.1° | 0.0° |
| C30 | C31 | C32 | N33 | 141.5° | 180.0° |
| C31 | C30 | C3 | H5 | 22.5° | 56.8° |
| C31 | C30 | H17 | H18 | 118.6° | 120.0° |
| C30 | C31 | H19 | H20 | 119.1° | 120.0° |
| O2 | C3R | C2R | H71 | 124.7° | 122.6° |
| O2 | C3R | C2R | C1R | 80.8° | 118.7° |
| O2 | C3R | C2R | O7R | 38.9° | 0.0° |
| O2 | C3R | C2R | H72 | 162.7° | 122.7° |
| O2 | C3R | C4R | H75 | 27.0° | 23.8° |
| C3R | C2R | C1R | O6R | 34.5° | 24.0° |
| C3R | C2R | C1R | O7R | 117.0° | 118.6° |
| C3R | C2R | C1R | H72 | 116.6° | 118.6° |
| C3R | C2R | O7R | H72 | 123.0° | 122.7° |
| C3R | C2R | C1R | N1B | 85.1° | 94.9° |
| C3R | C2R | O7R | H73 | 180.0° | 180.0° |
| C3R | C2R | C1R | H74 | 152.2° | 142.9° |
| C2R | C3R | C4R | H75 | 147.9° | 94.9° |
| O6R | C1R | C2R | N1B | 119.6° | 118.8° |
| O6R | C1R | C2R | H74 | 117.7° | 119.0° |
| O6R | C1R | C2R | O7R | 151.5° | 142.6° |
| O6R | C1R | N1B | C2B | 10.9° | 16.7° |
| O6R | C1R | N1B | H74 | 119.4° | 122.4° |
| O6R | C1R | N1B | C8B | 165.1° | 163.6° |
| O6R | C1R | C2R | H72 | 82.1° | 94.6° |
| C1R | O6R | C4R | H75 | 125.5° | 78.4° |
| C31 | C32 | O34 | N33 | 179.5° | 180.0° |
| C32 | C31 | C30 | H17 | 65.8° | 60.0° |
| C32 | C31 | C30 | H18 | 53.2° | 60.0° |
| C32 | C31 | H19 | H20 | 119.1° | 120.0° |
| C31 | C32 | N33 | H21 | 179.6° | 0.0° |
| C31 | C32 | N33 | H22 | 0.4° | 180.0° |
| C1R | C2R | O7R | H72 | 125.6° | 122.7° |
| C2R | C1R | N1B | C2B | 107.6° | 98.7° |
| C2R | C1R | N1B | H74 | 122.2° | 122.2° |
| C2R | C1R | N1B | C8B | 76.4° | 81.0° |
| C1R | C2R | C3R | H71 | 154.5° | 118.8° |
| C1R | C2R | O7R | H73 | 68.6° | 65.4° |
| O7R | C2R | C1R | N1B | 31.9° | 23.8° |
| O7R | C2R | C3R | H71 | 85.8° | 122.6° |
| O7R | C2R | C1R | H74 | 90.8° | 98.5° |
| N1B | C2B | N3B | H79 | 180.0° | 180.0° |
| C2B | N1B | C1R | C8B | 176.0° | 179.7° |
| N1B | C2B | N3B | C9B | 0.1° | 0.2° |
| C2B | N1B | C8B | C9B | 0.3° | 0.2° |
| C2B | N1B | C8B | C7B | 179.1° | 179.7° |
| C2B | N1B | C1R | H74 | 130.2° | 139.1° |
| N3B | C2B | N1B | C1R | 176.8° | 180.0° |
| N3B | C2B | N1B | C8B | 0.1° | 0.2° |
| C2B | N3B | C9B | C8B | 0.3° | 0.0° |
| C2B | N3B | C9B | C4B | 178.9° | 179.8° |
| C1R | N1B | C8B | C9B | 177.0° | 180.0° |
| C1R | N1B | C8B | C7B | 4.2° | 0.1° |
| N1B | C1R | C2R | H72 | 158.3° | 146.5° |
| C1R | N1B | C2B | H79 | 3.2° | 0.0° |
| O34 | C32 | C31 | H19 | 82.2° | 120.0° |
| O34 | C32 | C31 | H20 | 158.4° | 120.0° |
| O34 | C32 | N33 | H21 | 0.0° | 180.0° |
| O34 | C32 | N33 | H22 | 180.0° | 0.0° |
| N33 | C32 | C31 | H19 | 98.3° | 59.9° |
| N33 | C32 | C31 | H20 | 21.2° | 60.0° |
| C32 | N33 | H21 | H22 | 180.0° | 180.0° |
| N1B | C8B | C9B | N3B | 0.4° | 0.1° |
| N1B | C8B | C9B | C7B | 178.9° | 179.9° |
| N1B | C8B | C9B | C4B | 178.9° | 180.0° |
| N1B | C8B | C7B | C6B | 177.4° | 180.0° |
| C8B | N1B | C1R | H74 | 45.8° | 41.2° |
| C8B | N1B | C2B | H79 | 179.8° | 179.8° |
| N1B | C8B | C7B | H82 | 2.6° | 0.2° |
| N3B | C9B | C8B | C4B | 179.3° | 179.9° |
| N3B | C9B | C8B | C7B | 179.3° | 179.8° |
| N3B | C9B | C4B | C5B | 178.2° | 179.8° |
| C9B | N3B | C2B | H79 | 179.9° | 179.9° |
| N3B | C9B | C4B | H80 | 1.8° | 0.1° |
| C9B | C8B | C7B | C6B | 1.2° | 0.1° |
| C8B | C9B | C4B | C5B | 0.9° | 0.0° |
| C8B | C9B | C4B | H80 | 179.1° | 180.0° |
| C9B | C8B | C7B | H82 | 178.8° | 179.9° |
| C7B | C8B | C9B | C4B | 0.0° | 0.1° |
| C8B | C7B | C6B | H82 | 180.0° | 179.8° |
| C8B | C7B | C6B | C5B | 1.4° | 0.1° |
| C8B | C7B | C6B | H81 | 178.6° | 180.0° |
| C9B | C4B | C5B | H80 | 180.0° | 179.9° |
| C9B | C4B | C5B | C6B | 0.7° | 0.0° |
| C9B | C4B | C5B | O5M | 179.0° | 180.0° |
| C7B | C6B | C5B | C4B | 0.5° | 0.0° |
| C7B | C6B | C5B | H81 | 180.0° | 179.9° |
| C7B | C6B | C5B | O5M | 179.8° | 180.0° |
| C4B | C5B | C6B | O5M | 179.7° | 180.0° |
| C4B | C5B | O5M | C5M | 170.2° | 180.0° |
| C4B | C5B | C6B | H81 | 179.5° | 180.0° |
| C6B | C5B | O5M | C5M | 9.5° | 0.0° |
| C6B | C5B | C4B | H80 | 179.3° | 179.9° |
| C5B | C6B | C7B | H82 | 178.6° | 179.9° |
| O5M | C5B | C4B | H80 | 1.0° | 0.1° |
| O5M | C5B | C6B | H81 | 0.2° | 0.0° |
| C5B | O5M | C5M | H83 | 180.0° | 60.0° |
| C5B | O5M | C5M | H84 | 60.0° | 60.0° |
| C5B | O5M | C5M | H85 | 60.0° | 180.0° |
| O5M | C5M | H83 | H84 | 120.0° | 120.0° |
| O5M | C5M | H83 | H85 | 120.0° | 120.1° |
| O5M | C5M | H84 | H85 | 120.0° | 120.0° |
| H1 | C8 | C41 | H33 | 163.2° | 169.6° |
| H1 | C8 | C41 | H34 | 45.0° | 70.5° |
| H3 | C13 | C48 | H45 | 90.6° | 176.1° |
| H3 | C13 | C48 | H46 | 27.5° | 64.0° |
| H4 | C18 | C19 | H6 | 161.3° | 137.5° |
| H4 | C18 | C60 | H62 | 158.7° | 174.2° |
| H4 | C18 | C60 | H63 | 81.5° | 65.8° |
| H5 | C3 | C30 | H17 | 98.0° | 176.8° |
| H5 | C3 | C30 | H18 | 143.0° | 63.2° |
| H9 | C25 | H10 | H11 | 120.0° | 120.0° |
| H12 | C20 | H13 | H14 | 120.0° | 120.0° |
| H17 | C30 | C31 | H19 | 173.9° | 180.0° |
| H17 | C30 | C31 | H20 | 54.5° | 60.0° |
| H18 | C30 | C31 | H19 | 67.0° | 60.0° |
| H18 | C30 | C31 | H20 | 173.6° | 180.0° |
| H23 | C35 | H24 | H25 | 120.0° | 119.9° |
| H26 | C36 | H27 | H28 | 120.0° | 119.9° |
| H33 | C41 | C42 | H35 | 153.2° | 175.0° |
| H33 | C41 | C42 | H36 | 88.0° | 55.0° |
| H34 | C41 | C42 | H35 | 34.9° | 65.0° |
| H34 | C41 | C42 | H36 | 153.8° | 175.0° |
| H39 | C46 | H40 | H41 | 119.9° | 120.0° |
| H42 | C47 | H43 | H44 | 120.0° | 120.0° |
| H45 | C48 | C49 | H47 | 163.6° | 175.1° |
| H45 | C48 | C49 | H48 | 44.5° | 64.9° |
| H46 | C48 | C49 | H47 | 78.3° | 55.1° |
| H46 | C48 | C49 | H48 | 162.6° | 175.1° |
| H51 | C53 | H52 | H53 | 120.0° | 119.9° |
| H54 | C54 | H55 | H56 | 120.0° | 120.0° |
| H57 | C55 | C56 | H59 | 168.6° | 172.8° |
| H57 | C55 | C56 | H60 | 71.3° | 52.7° |
| H58 | C55 | C56 | H59 | 49.7° | 67.2° |
| H58 | C55 | C56 | H60 | 169.8° | 172.7° |
| H61 | N59 | C1P | H66 | 56.4° | 123.3° |
| H61 | N59 | C1P | H67 | 175.3° | 116.7° |
| H66 | C1P | C2P | H68 | 66.8° | 75.5° |
| H66 | C1P | C2P | H69 | 172.7° | 164.5° |
| H67 | C1P | C2P | H68 | 52.1° | 44.4° |
| H67 | C1P | C2P | H69 | 68.5° | 75.5° |
| H71 | C3R | C2R | H72 | 38.1° | 0.2° |
| H71 | C3R | C4R | H75 | 95.7° | 146.4° |
| H72 | C2R | O7R | H73 | 57.0° | 57.3° |
| H72 | C2R | C1R | H74 | 35.6° | 24.3° |
| H75 | C4R | C5R | H76 | 65.4° | 67.2° |
| H75 | C4R | C5R | H77 | 175.3° | 172.7° |
| H76 | C5R | O8R | H78 | 59.7° | 60.1° |
| H77 | C5R | O8R | H78 | 59.6° | 60.0° |
| H81 | C6B | C7B | H82 | 1.4° | 0.2° |
| H83 | C5M | H84 | H85 | 120.0° | 120.0° |
