CBY
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N59 | C57 | sing | 1.35Å | 1.33Å | |
| N59 | C71 | sing | 1.46Å | 1.47Å | |
| C57 | O58 | doub | 1.24Å | 1.23Å | |
| C57 | C56 | sing | 1.52Å | 1.53Å | |
| C56 | C55 | sing | 1.54Å | 1.54Å | |
| C55 | C17 | sing | 1.56Å | 1.55Å | |
| C17 | C54 | sing | 1.56Å | 1.53Å | |
| C17 | C18 | sing | 1.58Å | 1.55Å | |
| C17 | C16 | sing | 1.55Å | 1.54Å | |
| C18 | C19 | sing | 1.56Å | 1.50Å | |
| C18 | C60 | sing | 1.55Å | 1.53Å | |
| C19 | N24 | sing | 1.49Å | 1.41Å | |
| C19 | C1 | sing | 1.55Å | 1.52Å | |
| C60 | C61 | sing | 1.52Å | 1.52Å | |
| C61 | N62 | sing | 1.33Å | 1.34Å | |
| C61 | O63 | doub | 1.24Å | 1.22Å | |
| C16 | N24 | sing | 1.32Å | 1.39Å | |
| C16 | C15 | doub | 1.44Å | 1.34Å | |
| N24 | CO | sing | 1.92Å | 1.93Å | |
| C15 | C53 | sing | 1.53Å | 1.51Å | |
| C15 | C14 | sing | 1.41Å | 1.47Å | |
| C14 | C13 | sing | 1.53Å | 1.52Å | |
| C14 | N23 | doub | 1.37Å | 1.44Å | |
| C13 | C48 | sing | 1.56Å | 1.54Å | |
| C13 | C12 | sing | 1.56Å | 1.55Å | |
| C48 | C49 | sing | 1.54Å | 1.54Å | |
| C49 | C50 | sing | 1.52Å | 1.52Å | |
| C50 | N52 | sing | 1.33Å | 1.32Å | |
| C50 | O51 | doub | 1.24Å | 1.21Å | |
| C12 | C46 | sing | 1.55Å | 1.53Å | |
| C12 | C47 | sing | 1.55Å | 1.52Å | |
| C12 | C11 | sing | 1.53Å | 1.51Å | |
| C11 | N23 | sing | 1.37Å | 1.42Å | |
| C11 | C10 | doub | 1.39Å | 1.33Å | |
| N23 | CO | sing | 1.90Å | 1.93Å | |
| C10 | C9 | sing | 1.38Å | 1.46Å | |
| C9 | C8 | sing | 1.52Å | 1.49Å | |
| C9 | N22 | doub | 1.35Å | 1.39Å | |
| C8 | C41 | sing | 1.56Å | 1.54Å | |
| C8 | C7 | sing | 1.57Å | 1.54Å | |
| C41 | C42 | sing | 1.54Å | 1.53Å | |
| C42 | C43 | sing | 1.52Å | 1.51Å | |
| C43 | N45 | sing | 1.33Å | 1.32Å | |
| C43 | O44 | doub | 1.24Å | 1.21Å | |
| C7 | C36 | sing | 1.55Å | 1.53Å | |
| C7 | C37 | sing | 1.58Å | 1.53Å | |
| C7 | C6 | sing | 1.55Å | 1.52Å | |
| C37 | C38 | sing | 1.52Å | 1.52Å | |
| C38 | N40 | sing | 1.33Å | 1.33Å | |
| C38 | O39 | doub | 1.24Å | 1.19Å | |
| C6 | N22 | sing | 1.39Å | 1.42Å | |
| C6 | C5 | doub | 1.42Å | 1.36Å | |
| N22 | CO | sing | 1.93Å | 1.90Å | |
| C5 | C35 | sing | 1.53Å | 1.50Å | |
| C5 | C4 | sing | 1.40Å | 1.47Å | |
| C4 | C3 | sing | 1.53Å | 1.50Å | |
| C4 | N21 | doub | 1.31Å | 1.40Å | |
| C3 | C30 | sing | 1.56Å | 1.54Å | |
| C3 | C2 | sing | 1.58Å | 1.55Å | |
| C30 | C31 | sing | 1.54Å | 1.53Å | |
| C31 | C32 | sing | 1.52Å | 1.51Å | |
| C32 | N33 | sing | 1.33Å | 1.33Å | |
| C32 | O34 | doub | 1.24Å | 1.22Å | |
| C2 | C25 | sing | 1.55Å | 1.54Å | |
| C2 | C1 | sing | 1.64Å | 1.55Å | |
| C2 | C26 | sing | 1.58Å | 1.54Å | |
| C1 | C20 | sing | 1.54Å | 1.54Å | |
| C1 | N21 | sing | 1.48Å | 1.50Å | |
| N21 | CO | sing | 1.90Å | 1.92Å | |
| C26 | C27 | sing | 1.53Å | 1.52Å | |
| C27 | O28 | doub | 1.24Å | 1.22Å | |
| C27 | N29 | sing | 1.33Å | 1.32Å | |
| C71 | C72 | sing | 1.52Å | 1.54Å | |
| C72 | C73 | sing | 1.52Å | 1.54Å | |
| C72 | O8 | sing | 1.42Å | 1.43Å | |
| N59 | HN59 | sing | 0.88Å | 1.00Å | |
| C56 | H56 | sing | 0.97Å | 1.10Å | |
| C56 | H56A | sing | 0.97Å | 1.10Å | |
| C55 | H55 | sing | 0.98Å | 1.10Å | |
| C55 | H55A | sing | 0.98Å | 1.10Å | |
| C54 | H54 | sing | 0.98Å | 1.10Å | |
| C54 | H54A | sing | 0.97Å | 1.10Å | |
| C54 | H54B | sing | 0.98Å | 1.10Å | |
| C18 | H18 | sing | 0.99Å | 1.10Å | |
| C19 | H19 | sing | 0.98Å | 1.10Å | |
| C60 | H60 | sing | 0.97Å | 1.10Å | |
| C60 | H60A | sing | 0.97Å | 1.10Å | |
| N62 | HN62 | sing | 0.89Å | 1.00Å | |
| N62 | HN6A | sing | 0.89Å | 1.00Å | |
| C53 | H53 | sing | 0.97Å | 1.10Å | |
| C53 | H53A | sing | 0.97Å | 1.10Å | |
| C53 | H53B | sing | 0.97Å | 1.10Å | |
| C13 | H13 | sing | 0.99Å | 1.10Å | |
| C48 | H48 | sing | 0.98Å | 1.10Å | |
| C48 | H48A | sing | 0.99Å | 1.10Å | |
| C49 | H49 | sing | 0.97Å | 1.10Å | |
| C49 | H49A | sing | 0.97Å | 1.10Å | |
| N52 | HN52 | sing | 0.89Å | 1.00Å | |
| N52 | HN5B | sing | 0.89Å | 1.00Å | |
| C46 | H46 | sing | 0.98Å | 1.10Å | |
| C46 | H46A | sing | 0.98Å | 1.10Å | |
| C46 | H46B | sing | 0.98Å | 1.10Å | |
| C47 | H47 | sing | 0.98Å | 1.10Å | |
| C47 | H47A | sing | 0.98Å | 1.10Å | |
| C47 | H47B | sing | 0.98Å | 1.10Å | |
| C10 | H311 | sing | 0.94Å | 1.08Å | |
| C8 | H8 | sing | 0.99Å | 1.10Å | |
| C41 | H41 | sing | 0.98Å | 1.10Å | |
| C41 | H41A | sing | 0.99Å | 1.10Å | |
| C42 | H42 | sing | 0.97Å | 1.10Å | |
| C42 | H42A | sing | 0.97Å | 1.10Å | |
| N45 | HN45 | sing | 0.89Å | 1.00Å | |
| N45 | HN4A | sing | 0.89Å | 1.00Å | |
| C36 | H36 | sing | 0.97Å | 1.10Å | |
| C36 | H36A | sing | 0.98Å | 1.10Å | |
| C36 | H36B | sing | 0.98Å | 1.10Å | |
| C37 | H37 | sing | 0.97Å | 1.10Å | |
| C37 | H37A | sing | 0.97Å | 1.10Å | |
| N40 | HN40 | sing | 0.89Å | 1.00Å | |
| N40 | HN4B | sing | 0.89Å | 1.00Å | |
| C35 | H35 | sing | 0.97Å | 1.10Å | |
| C35 | H35A | sing | 0.97Å | 1.10Å | |
| C35 | H35B | sing | 0.97Å | 1.10Å | |
| C3 | H3 | sing | 0.98Å | 1.10Å | |
| C30 | H30 | sing | 0.98Å | 1.10Å | |
| C30 | H30A | sing | 0.99Å | 1.10Å | |
| C31 | H31 | sing | 0.97Å | 1.10Å | |
| C31 | H31A | sing | 0.97Å | 1.10Å | |
| N33 | HN33 | sing | 0.89Å | 1.00Å | |
| N33 | HN3A | sing | 0.89Å | 1.00Å | |
| C25 | H25 | sing | 0.97Å | 1.10Å | |
| C25 | H25A | sing | 0.97Å | 1.10Å | |
| C25 | H25B | sing | 0.97Å | 1.10Å | |
| C20 | H20 | sing | 0.97Å | 1.10Å | |
| C20 | H20A | sing | 0.98Å | 1.10Å | |
| C20 | H20B | sing | 0.98Å | 1.10Å | |
| C26 | H26 | sing | 0.99Å | 1.10Å | |
| C26 | H26A | sing | 0.99Å | 1.10Å | |
| N29 | HN29 | sing | 0.89Å | 1.00Å | |
| N29 | HN2A | sing | 0.89Å | 1.00Å | |
| C71 | H67 | sing | 0.99Å | 1.10Å | |
| C71 | H68 | sing | 0.99Å | 1.10Å | |
| C72 | H69 | sing | 0.99Å | 1.10Å | |
| C73 | H70 | sing | 0.97Å | 1.10Å | |
| C73 | H71 | sing | 0.97Å | 1.10Å | |
| C73 | H72 | sing | 0.97Å | 1.10Å | |
| O8 | H73 | sing | 0.87Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C57 | N59 | C71 | 125.6° | 126.2° |
| N59 | C57 | O58 | 120.5° | 122.3° |
| N59 | C57 | C56 | 120.0° | 118.6° |
| C57 | N59 | HN59 | 117.2° | 116.9° |
| N59 | C71 | C72 | 105.0° | 113.1° |
| C71 | N59 | HN59 | 117.2° | 116.9° |
| N59 | C71 | H67 | 110.6° | 108.2° |
| N59 | C71 | H68 | 110.6° | 108.7° |
| O58 | C57 | C56 | 119.6° | 119.0° |
| C57 | C56 | C55 | 113.9° | 114.4° |
| C57 | C56 | H56 | 108.3° | 109.1° |
| C57 | C56 | H56A | 108.4° | 108.3° |
| C56 | C55 | C17 | 116.2° | 119.5° |
| C55 | C56 | H56 | 108.4° | 109.5° |
| C55 | C56 | H56A | 108.3° | 108.3° |
| C56 | C55 | H55 | 107.8° | 106.7° |
| C56 | C55 | H55A | 107.8° | 107.4° |
| C55 | C17 | C54 | 112.1° | 108.5° |
| C55 | C17 | C18 | 109.5° | 111.0° |
| C55 | C17 | C16 | 111.7° | 114.3° |
| C17 | C55 | H55 | 107.8° | 108.2° |
| C17 | C55 | H55A | 107.8° | 108.2° |
| C54 | C17 | C18 | 110.0° | 112.4° |
| C54 | C17 | C16 | 109.3° | 108.9° |
| C17 | C54 | H54 | 109.5° | 110.0° |
| C17 | C54 | H54A | 109.5° | 110.1° |
| C17 | C54 | H54B | 109.5° | 110.2° |
| C18 | C17 | C16 | 104.0° | 101.6° |
| C17 | C18 | C19 | 103.3° | 104.0° |
| C17 | C18 | C60 | 117.6° | 119.4° |
| C17 | C18 | H18 | 104.8° | 107.0° |
| C17 | C16 | N24 | 110.4° | 109.0° |
| C17 | C16 | C15 | 127.2° | 133.2° |
| C19 | C18 | C60 | 119.4° | 115.7° |
| C18 | C19 | N24 | 112.3° | 101.5° |
| C18 | C19 | C1 | 132.4° | 122.7° |
| C19 | C18 | H18 | 105.3° | 104.0° |
| C18 | C19 | H19 | 95.5° | 106.7° |
| C18 | C60 | C61 | 107.2° | 116.1° |
| C60 | C18 | H18 | 105.0° | 105.4° |
| C18 | C60 | H60 | 110.1° | 108.4° |
| C18 | C60 | H60A | 110.1° | 109.6° |
| N24 | C19 | C1 | 112.4° | 110.4° |
| C19 | N24 | C16 | 109.1° | 115.8° |
| C19 | N24 | CO | 116.7° | 110.1° |
| N24 | C19 | H19 | 95.8° | 107.5° |
| C19 | C1 | C2 | 124.4° | 120.6° |
| C19 | C1 | C20 | 99.2° | 110.3° |
| C19 | C1 | N21 | 107.7° | 100.4° |
| C1 | C19 | H19 | 95.4° | 107.2° |
| C60 | C61 | N62 | 116.7° | 118.2° |
| C60 | C61 | O63 | 120.4° | 120.1° |
| C61 | C60 | H60 | 110.1° | 107.0° |
| C61 | C60 | H60A | 110.1° | 108.9° |
| N62 | C61 | O63 | 122.9° | 121.8° |
| C61 | N62 | HN62 | 120.0° | 119.8° |
| C61 | N62 | HN6A | 120.0° | 121.0° |
| N24 | C16 | C15 | 121.7° | 117.8° |
| C16 | N24 | CO | 132.0° | 134.1° |
| C16 | C15 | C53 | 119.6° | 121.0° |
| C16 | C15 | C14 | 121.9° | 121.7° |
| N24 | CO | N23 | 89.9° | 89.6° |
| N24 | CO | N22 | 165.0° | 172.8° |
| N24 | CO | N21 | 82.1° | 85.1° |
| C53 | C15 | C14 | 118.3° | 117.0° |
| C15 | C53 | H53 | 109.5° | 110.6° |
| C15 | C53 | H53A | 109.5° | 109.6° |
| C15 | C53 | H53B | 109.4° | 109.4° |
| C15 | C14 | C13 | 123.2° | 127.8° |
| C15 | C14 | N23 | 123.4° | 123.0° |
| C13 | C14 | N23 | 112.9° | 109.2° |
| C14 | C13 | C48 | 111.6° | 106.6° |
| C14 | C13 | C12 | 102.4° | 102.5° |
| C14 | C13 | H13 | 109.2° | 108.1° |
| C14 | N23 | C11 | 103.4° | 108.7° |
| C14 | N23 | CO | 123.2° | 127.0° |
| C48 | C13 | C12 | 115.8° | 123.3° |
| C13 | C48 | C49 | 115.8° | 116.8° |
| C48 | C13 | H13 | 108.9° | 107.4° |
| C13 | C48 | H48 | 107.9° | 108.9° |
| C13 | C48 | H48A | 107.9° | 108.6° |
| C13 | C12 | C46 | 118.0° | 115.9° |
| C13 | C12 | C47 | 109.2° | 111.2° |
| C13 | C12 | C11 | 101.1° | 98.6° |
| C12 | C13 | H13 | 108.7° | 108.1° |
| C48 | C49 | C50 | 112.2° | 114.0° |
| C49 | C48 | H48 | 107.9° | 108.2° |
| C49 | C48 | H48A | 107.9° | 107.3° |
| C48 | C49 | H49 | 108.8° | 109.0° |
| C48 | C49 | H49A | 108.8° | 108.6° |
| C49 | C50 | N52 | 117.1° | 118.4° |
| C49 | C50 | O51 | 122.8° | 119.7° |
| C50 | C49 | H49 | 108.8° | 108.8° |
| C50 | C49 | H49A | 108.8° | 108.6° |
| N52 | C50 | O51 | 120.1° | 121.9° |
| C50 | N52 | HN52 | 120.0° | 119.3° |
| C50 | N52 | HN5B | 120.0° | 121.7° |
| C46 | C12 | C47 | 109.6° | 108.4° |
| C46 | C12 | C11 | 111.6° | 113.2° |
| C12 | C46 | H46 | 109.5° | 110.1° |
| C12 | C46 | H46A | 109.5° | 109.6° |
| C12 | C46 | H46B | 109.5° | 109.8° |
| C47 | C12 | C11 | 106.5° | 109.1° |
| C12 | C47 | H47 | 109.5° | 109.9° |
| C12 | C47 | H47A | 109.5° | 109.7° |
| C12 | C47 | H47B | 109.5° | 109.8° |
| C12 | C11 | N23 | 111.9° | 113.0° |
| C12 | C11 | C10 | 122.9° | 124.7° |
| N23 | C11 | C10 | 125.0° | 122.2° |
| C11 | N23 | CO | 122.8° | 124.2° |
| C11 | C10 | C9 | 124.5° | 128.9° |
| C11 | C10 | H311 | 117.8° | 116.4° |
| N23 | CO | N22 | 98.0° | 97.5° |
| N23 | CO | N21 | 170.5° | 165.3° |
| C10 | C9 | C8 | 122.7° | 123.1° |
| C10 | C9 | N22 | 126.7° | 124.7° |
| C9 | C10 | H311 | 117.7° | 114.7° |
| C8 | C9 | N22 | 110.4° | 112.3° |
| C9 | C8 | C41 | 108.4° | 108.5° |
| C9 | C8 | C7 | 100.2° | 99.8° |
| C9 | C8 | H8 | 111.3° | 107.4° |
| C9 | N22 | C6 | 107.0° | 109.6° |
| C9 | N22 | CO | 121.0° | 121.9° |
| C41 | C8 | C7 | 115.4° | 121.4° |
| C8 | C41 | C42 | 112.8° | 115.3° |
| C41 | C8 | H8 | 110.6° | 108.5° |
| C8 | C41 | H41 | 108.6° | 109.8° |
| C8 | C41 | H41A | 108.6° | 108.9° |
| C8 | C7 | C36 | 112.8° | 113.3° |
| C8 | C7 | C37 | 108.9° | 108.6° |
| C8 | C7 | C6 | 103.9° | 101.0° |
| C7 | C8 | H8 | 110.5° | 110.2° |
| C41 | C42 | C43 | 114.6° | 113.9° |
| C42 | C41 | H41 | 108.6° | 107.4° |
| C42 | C41 | H41A | 108.6° | 108.1° |
| C41 | C42 | H42 | 108.2° | 108.8° |
| C41 | C42 | H42A | 108.2° | 108.9° |
| C42 | C43 | N45 | 114.7° | 118.6° |
| C42 | C43 | O44 | 123.2° | 119.5° |
| C43 | C42 | H42 | 108.2° | 108.6° |
| C43 | C42 | H42A | 108.2° | 108.7° |
| N45 | C43 | O44 | 122.0° | 121.9° |
| C43 | N45 | HN45 | 120.0° | 119.3° |
| C43 | N45 | HN4A | 120.0° | 121.9° |
| C36 | C7 | C37 | 113.6° | 110.1° |
| C36 | C7 | C6 | 111.2° | 113.2° |
| C7 | C36 | H36 | 109.5° | 110.1° |
| C7 | C36 | H36A | 109.5° | 109.7° |
| C7 | C36 | H36B | 109.5° | 110.0° |
| C37 | C7 | C6 | 105.8° | 110.2° |
| C7 | C37 | C38 | 113.7° | 119.9° |
| C7 | C37 | H37 | 108.4° | 108.1° |
| C7 | C37 | H37A | 108.4° | 107.6° |
| C7 | C6 | N22 | 108.8° | 109.2° |
| C7 | C6 | C5 | 126.4° | 131.9° |
| C37 | C38 | N40 | 118.9° | 119.6° |
| C37 | C38 | O39 | 119.3° | 119.2° |
| C38 | C37 | H37 | 108.4° | 107.3° |
| C38 | C37 | H37A | 108.4° | 107.1° |
| N40 | C38 | O39 | 121.8° | 121.2° |
| C38 | N40 | HN40 | 120.0° | 119.9° |
| C38 | N40 | HN4B | 120.0° | 120.6° |
| N22 | C6 | C5 | 124.6° | 118.7° |
| C6 | N22 | CO | 122.5° | 128.4° |
| C6 | C5 | C35 | 121.5° | 121.5° |
| C6 | C5 | C4 | 121.3° | 120.0° |
| N22 | CO | N21 | 88.8° | 88.3° |
| C35 | C5 | C4 | 117.2° | 118.2° |
| C5 | C35 | H35 | 109.5° | 110.3° |
| C5 | C35 | H35A | 109.5° | 109.6° |
| C5 | C35 | H35B | 109.5° | 109.4° |
| C5 | C4 | C3 | 126.7° | 127.9° |
| C5 | C4 | N21 | 121.9° | 122.0° |
| C3 | C4 | N21 | 111.2° | 109.9° |
| C4 | C3 | C30 | 109.7° | 110.0° |
| C4 | C3 | C2 | 103.6° | 102.5° |
| C4 | C3 | H3 | 110.4° | 105.8° |
| C4 | N21 | C1 | 108.5° | 116.0° |
| C4 | N21 | CO | 121.4° | 129.5° |
| C30 | C3 | C2 | 113.5° | 123.0° |
| C3 | C30 | C31 | 112.6° | 116.5° |
| C30 | C3 | H3 | 109.8° | 107.0° |
| C3 | C30 | H30 | 108.7° | 109.1° |
| C3 | C30 | H30A | 108.7° | 108.4° |
| C3 | C2 | C25 | 113.0° | 114.6° |
| C3 | C2 | C1 | 103.1° | 101.1° |
| C3 | C2 | C26 | 106.7° | 105.9° |
| C2 | C3 | H3 | 109.6° | 107.4° |
| C30 | C31 | C32 | 110.6° | 113.6° |
| C31 | C30 | H30 | 108.7° | 108.2° |
| C31 | C30 | H30A | 108.7° | 107.5° |
| C30 | C31 | H31 | 109.2° | 108.6° |
| C30 | C31 | H31A | 109.2° | 109.1° |
| C31 | C32 | N33 | 116.3° | 118.4° |
| C31 | C32 | O34 | 121.2° | 119.6° |
| C32 | C31 | H31 | 109.2° | 108.7° |
| C32 | C31 | H31A | 109.2° | 108.8° |
| N33 | C32 | O34 | 122.4° | 122.0° |
| C32 | N33 | HN33 | 120.0° | 119.2° |
| C32 | N33 | HN3A | 120.0° | 122.0° |
| C25 | C2 | C1 | 109.2° | 111.7° |
| C25 | C2 | C26 | 110.7° | 107.5° |
| C2 | C25 | H25 | 109.5° | 110.0° |
| C2 | C25 | H25A | 109.5° | 110.4° |
| C2 | C25 | H25B | 109.4° | 109.9° |
| C1 | C2 | C26 | 113.9° | 115.9° |
| C2 | C1 | C20 | 114.8° | 119.8° |
| C2 | C1 | N21 | 106.9° | 100.2° |
| C2 | C26 | C27 | 113.8° | 119.7° |
| C2 | C26 | H26 | 108.4° | 108.3° |
| C2 | C26 | H26A | 108.4° | 108.2° |
| C20 | C1 | N21 | 101.4° | 100.1° |
| C1 | C20 | H20 | 109.5° | 110.2° |
| C1 | C20 | H20A | 109.5° | 110.1° |
| C1 | C20 | H20B | 109.5° | 110.7° |
| C1 | N21 | CO | 117.4° | 114.4° |
| C26 | C27 | O28 | 122.5° | 120.0° |
| C26 | C27 | N29 | 115.8° | 119.2° |
| C27 | C26 | H26 | 108.4° | 107.4° |
| C27 | C26 | H26A | 108.4° | 106.4° |
| O28 | C27 | N29 | 121.7° | 120.8° |
| C27 | N29 | HN29 | 120.0° | 120.0° |
| C27 | N29 | HN2A | 120.0° | 120.8° |
| C71 | C72 | C73 | 90.0° | 112.2° |
| C71 | C72 | O8 | 82.4° | 111.1° |
| C72 | C71 | H67 | 110.6° | 109.4° |
| C72 | C71 | H68 | 110.6° | 109.7° |
| C71 | C72 | H69 | 123.1° | 106.5° |
| C73 | C72 | O8 | 100.7° | 111.3° |
| C73 | C72 | H69 | 123.1° | 108.0° |
| C72 | C73 | H70 | 109.5° | 109.4° |
| C72 | C73 | H71 | 109.5° | 109.8° |
| C72 | C73 | H72 | 109.5° | 109.8° |
| O8 | C72 | H69 | 126.1° | 107.5° |
| C72 | O8 | H73 | 109.5° | 110.6° |
| H56 | C56 | H56A | 109.5° | 106.9° |
| H55 | C55 | H55A | 109.5° | 106.0° |
| H54 | C54 | H54A | 109.5° | 108.8° |
| H54 | C54 | H54B | 109.4° | 109.2° |
| H54A | C54 | H54B | 109.5° | 108.5° |
| H60 | C60 | H60A | 109.4° | 106.3° |
| HN62 | N62 | HN6A | 120.0° | 119.2° |
| H53 | C53 | H53A | 109.5° | 108.9° |
| H53 | C53 | H53B | 109.5° | 109.0° |
| H53A | C53 | H53B | 109.5° | 109.3° |
| H48 | C48 | H48A | 109.5° | 106.6° |
| H49 | C49 | H49A | 109.4° | 107.7° |
| HN52 | N52 | HN5B | 120.0° | 119.0° |
| H46 | C46 | H46A | 109.4° | 108.7° |
| H46 | C46 | H46B | 109.4° | 109.4° |
| H46A | C46 | H46B | 109.5° | 109.3° |
| H47 | C47 | H47A | 109.5° | 109.2° |
| H47 | C47 | H47B | 109.5° | 109.3° |
| H47A | C47 | H47B | 109.5° | 108.9° |
| H41 | C41 | H41A | 109.5° | 107.1° |
| H42 | C42 | H42A | 109.5° | 107.8° |
| HN45 | N45 | HN4A | 120.0° | 118.8° |
| H36 | C36 | H36A | 109.4° | 108.8° |
| H36 | C36 | H36B | 109.5° | 108.7° |
| H36A | C36 | H36B | 109.4° | 109.5° |
| H37 | C37 | H37A | 109.5° | 106.1° |
| HN40 | N40 | HN4B | 120.0° | 119.4° |
| H35 | C35 | H35A | 109.5° | 108.9° |
| H35 | C35 | H35B | 109.4° | 109.3° |
| H35A | C35 | H35B | 109.5° | 109.3° |
| H30 | C30 | H30A | 109.5° | 106.7° |
| H31 | C31 | H31A | 109.4° | 107.8° |
| HN33 | N33 | HN3A | 120.0° | 118.8° |
| H25 | C25 | H25A | 109.5° | 108.9° |
| H25 | C25 | H25B | 109.4° | 109.1° |
| H25A | C25 | H25B | 109.5° | 108.4° |
| H20 | C20 | H20A | 109.5° | 108.2° |
| H20 | C20 | H20B | 109.4° | 108.2° |
| H20A | C20 | H20B | 109.5° | 109.3° |
| H26 | C26 | H26A | 109.5° | 106.1° |
| HN29 | N29 | HN2A | 120.0° | 119.3° |
| H67 | C71 | H68 | 109.5° | 107.7° |
| H70 | C73 | H71 | 109.5° | 109.2° |
| H70 | C73 | H72 | 109.4° | 109.2° |
| H71 | C73 | H72 | 109.4° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C57 | N59 | C71 | HN59 | 180.0° | 179.9° |
| N59 | C57 | O58 | C56 | 179.1° | 179.9° |
| N59 | C57 | C56 | C55 | 91.3° | 107.3° |
| C57 | N59 | C71 | C72 | 22.7° | 88.2° |
| N59 | C57 | C56 | H56 | 148.1° | 15.7° |
| N59 | C57 | C56 | H56A | 29.4° | 131.7° |
| C57 | N59 | C71 | H67 | 96.6° | 150.5° |
| C57 | N59 | C71 | H68 | 142.0° | 33.8° |
| C71 | N59 | C57 | O58 | 35.5° | 2.4° |
| C71 | N59 | C57 | C56 | 145.4° | 177.6° |
| N59 | C71 | C72 | H67 | 119.3° | 120.7° |
| N59 | C71 | C72 | H68 | 119.3° | 121.5° |
| N59 | C71 | C72 | C73 | 180.0° | 179.9° |
| N59 | C71 | C72 | O8 | 79.2° | 54.6° |
| N59 | C71 | H67 | H68 | 122.1° | 117.3° |
| N59 | C71 | C72 | H69 | 49.3° | 62.2° |
| O58 | C57 | C56 | C55 | 89.6° | 72.6° |
| O58 | C57 | N59 | HN59 | 144.6° | 177.7° |
| O58 | C57 | C56 | H56 | 31.1° | 164.3° |
| O58 | C57 | C56 | H56A | 149.8° | 48.3° |
| C57 | C56 | C55 | H56 | 120.6° | 122.8° |
| C57 | C56 | C55 | H56A | 120.7° | 120.9° |
| C57 | C56 | C55 | C17 | 172.8° | 101.7° |
| C56 | C57 | N59 | HN59 | 34.6° | 2.3° |
| C57 | C56 | H56 | H56A | 118.0° | 116.9° |
| C57 | C56 | C55 | H55 | 51.8° | 135.4° |
| C57 | C56 | C55 | H55A | 66.2° | 22.0° |
| C56 | C55 | C17 | H55 | 121.0° | 122.2° |
| C56 | C55 | C17 | H55A | 121.0° | 123.3° |
| C56 | C55 | C17 | C54 | 176.2° | 168.1° |
| C56 | C55 | C17 | C18 | 61.5° | 67.9° |
| C56 | C55 | C17 | C16 | 53.2° | 46.4° |
| C55 | C56 | H56 | H56A | 118.0° | 117.2° |
| C56 | C55 | H55 | H55A | 116.9° | 114.3° |
| C55 | C17 | C54 | C18 | 122.0° | 123.2° |
| C55 | C17 | C54 | C16 | 124.4° | 125.0° |
| C55 | C17 | C18 | C16 | 119.5° | 122.0° |
| C55 | C17 | C18 | C19 | 124.5° | 148.5° |
| C55 | C17 | C18 | C60 | 101.6° | 80.7° |
| C55 | C17 | C16 | N24 | 117.4° | 135.9° |
| C55 | C17 | C16 | C15 | 53.1° | 44.6° |
| C17 | C55 | C56 | H56 | 66.6° | 21.2° |
| C17 | C55 | C56 | H56A | 52.2° | 137.4° |
| C17 | C55 | H55 | H55A | 117.0° | 115.9° |
| C55 | C17 | C54 | H54 | 180.0° | 176.1° |
| C55 | C17 | C54 | H54A | 60.0° | 64.1° |
| C55 | C17 | C54 | H54B | 60.0° | 55.6° |
| C55 | C17 | C18 | H18 | 14.4° | 38.7° |
| C54 | C17 | C18 | C16 | 116.9° | 116.2° |
| C54 | C17 | C18 | C19 | 112.0° | 89.7° |
| C54 | C17 | C18 | C60 | 21.9° | 41.1° |
| C54 | C17 | C16 | N24 | 118.0° | 102.5° |
| C54 | C17 | C16 | C15 | 71.5° | 77.0° |
| C54 | C17 | C55 | H55 | 62.8° | 45.9° |
| C54 | C17 | C55 | H55A | 55.2° | 68.6° |
| C17 | C54 | H54 | H54A | 120.0° | 120.7° |
| C17 | C54 | H54 | H54B | 120.0° | 121.0° |
| C17 | C54 | H54A | H54B | 120.0° | 120.7° |
| C54 | C17 | C18 | H18 | 138.0° | 160.5° |
| C17 | C18 | C19 | C60 | 132.8° | 133.0° |
| C17 | C18 | C19 | H18 | 109.7° | 112.0° |
| C17 | C18 | C60 | H18 | 115.9° | 120.2° |
| C17 | C18 | C19 | N24 | 9.3° | 27.0° |
| C17 | C18 | C19 | C1 | 168.2° | 150.6° |
| C17 | C18 | C60 | C61 | 82.6° | 75.1° |
| C18 | C17 | C16 | N24 | 0.5° | 16.2° |
| C18 | C17 | C16 | C15 | 171.1° | 164.3° |
| C18 | C17 | C55 | H55 | 59.5° | 169.9° |
| C18 | C17 | C55 | H55A | 177.5° | 55.4° |
| C18 | C17 | C54 | H54 | 58.0° | 52.9° |
| C18 | C17 | C54 | H54A | 62.0° | 172.7° |
| C18 | C17 | C54 | H54B | 178.0° | 67.6° |
| C17 | C18 | C19 | H19 | 89.3° | 85.3° |
| C17 | C18 | C60 | H60 | 37.0° | 164.4° |
| C17 | C18 | C60 | H60A | 157.7° | 48.8° |
| C16 | C17 | C18 | C19 | 5.0° | 26.5° |
| C16 | C17 | C18 | C60 | 138.8° | 157.3° |
| C17 | C16 | N24 | C19 | 6.3° | 1.5° |
| C17 | C16 | N24 | C15 | 171.2° | 179.6° |
| C17 | C16 | N24 | CO | 168.4° | 178.6° |
| C17 | C16 | C15 | C53 | 6.9° | 15.1° |
| C17 | C16 | C15 | C14 | 178.2° | 158.3° |
| C16 | C17 | C55 | H55 | 174.2° | 75.8° |
| C16 | C17 | C55 | H55A | 67.8° | 169.7° |
| C16 | C17 | C54 | H54 | 55.6° | 58.9° |
| C16 | C17 | C54 | H54A | 175.6° | 60.9° |
| C16 | C17 | C54 | H54B | 64.4° | 179.4° |
| C16 | C17 | C18 | H18 | 105.1° | 83.3° |
| C19 | C18 | C60 | H18 | 117.7° | 114.3° |
| C18 | C19 | N24 | C1 | 163.3° | 131.6° |
| C18 | C19 | N24 | H19 | 98.4° | 111.8° |
| C18 | C19 | C1 | H19 | 102.5° | 123.8° |
| C19 | C18 | C60 | C61 | 151.0° | 159.5° |
| C18 | C19 | N24 | C16 | 10.1° | 18.7° |
| C18 | C19 | N24 | CO | 175.3° | 163.5° |
| C18 | C19 | C1 | C2 | 62.9° | 86.6° |
| C18 | C19 | C1 | C20 | 65.8° | 60.0° |
| C18 | C19 | C1 | N21 | 171.1° | 164.9° |
| C19 | C18 | C60 | H60 | 89.3° | 39.0° |
| C19 | C18 | C60 | H60A | 31.4° | 76.6° |
| C60 | C18 | C19 | N24 | 142.1° | 160.0° |
| C60 | C18 | C19 | C1 | 59.0° | 76.4° |
| C18 | C60 | C61 | H60 | 119.6° | 121.2° |
| C18 | C60 | C61 | H60A | 119.7° | 124.3° |
| C18 | C60 | C61 | N62 | 113.5° | 104.3° |
| C18 | C60 | C61 | O63 | 65.3° | 75.9° |
| C60 | C18 | C19 | H19 | 43.5° | 47.7° |
| C18 | C60 | H60 | H60A | 121.1° | 117.7° |
| N24 | C19 | C1 | H19 | 98.6° | 116.7° |
| C19 | N24 | C16 | CO | 162.1° | 177.1° |
| C19 | N24 | C16 | C15 | 177.5° | 178.1° |
| C19 | N24 | CO | N23 | 167.2° | 172.4° |
| C19 | N24 | CO | N22 | 70.9° | 17.2° |
| N24 | C19 | C1 | C2 | 138.2° | 154.0° |
| N24 | C19 | C1 | C20 | 93.1° | 59.4° |
| N24 | C19 | C1 | N21 | 12.2° | 45.5° |
| C19 | N24 | CO | N21 | 17.8° | 6.2° |
| N24 | C19 | C18 | H18 | 100.4° | 84.9° |
| C1 | C19 | N24 | C16 | 173.4° | 150.4° |
| C1 | C19 | N24 | CO | 21.4° | 31.9° |
| C19 | C1 | N21 | C4 | 143.9° | 141.3° |
| C19 | C1 | C2 | C3 | 147.3° | 137.1° |
| C19 | C1 | C2 | C25 | 92.4° | 100.5° |
| C19 | C1 | C2 | C20 | 122.0° | 143.5° |
| C19 | C1 | C2 | N21 | 126.4° | 108.6° |
| C19 | C1 | C2 | C26 | 32.0° | 23.2° |
| C19 | C1 | C20 | N21 | 110.3° | 105.1° |
| C19 | C1 | N21 | CO | 1.5° | 41.6° |
| C1 | C19 | C18 | H18 | 58.5° | 38.7° |
| C19 | C1 | C20 | H20 | 180.0° | 172.0° |
| C19 | C1 | C20 | H20A | 60.0° | 68.7° |
| C19 | C1 | C20 | H20B | 60.0° | 52.3° |
| C60 | C61 | N62 | O63 | 178.8° | 179.8° |
| C61 | C60 | C18 | H18 | 33.3° | 45.1° |
| C61 | C60 | H60 | H60A | 121.1° | 116.3° |
| C60 | C61 | N62 | HN62 | 178.8° | 179.4° |
| C60 | C61 | N62 | HN6A | 1.2° | 1.1° |
| N62 | C61 | C60 | H60 | 6.1° | 134.5° |
| N62 | C61 | C60 | H60A | 126.8° | 20.0° |
| C61 | N62 | HN62 | HN6A | 180.0° | 179.5° |
| O63 | C61 | C60 | H60 | 175.0° | 45.3° |
| O63 | C61 | C60 | H60A | 54.4° | 159.8° |
| O63 | C61 | N62 | HN62 | 0.0° | 0.4° |
| O63 | C61 | N62 | HN6A | 180.0° | 179.1° |
| N24 | C16 | C15 | C53 | 176.5° | 164.3° |
| N24 | C16 | C15 | C14 | 8.6° | 22.2° |
| C16 | N24 | CO | N23 | 6.2° | 10.3° |
| C16 | N24 | CO | N22 | 128.1° | 160.0° |
| C16 | N24 | CO | N21 | 178.8° | 176.6° |
| C16 | N24 | C19 | H19 | 88.3° | 93.1° |
| C15 | C16 | N24 | CO | 20.4° | 1.0° |
| C16 | C15 | C53 | C14 | 175.1° | 173.8° |
| C16 | C15 | C14 | C13 | 170.0° | 148.3° |
| C16 | C15 | C14 | N23 | 18.3° | 33.7° |
| C16 | C15 | C53 | H53 | 180.0° | 20.1° |
| C16 | C15 | C53 | H53A | 60.0° | 140.1° |
| C16 | C15 | C53 | H53B | 60.0° | 100.0° |
| N24 | CO | N23 | C14 | 18.8° | 0.5° |
| N24 | CO | N23 | C11 | 157.6° | 175.9° |
| N24 | CO | N23 | N22 | 167.2° | 178.8° |
| N24 | CO | N23 | N21 | 31.6° | 68.7° |
| N24 | CO | N22 | C9 | 123.9° | 177.8° |
| N24 | CO | N22 | C6 | 94.2° | 1.2° |
| N24 | CO | N22 | N21 | 52.4° | 23.3° |
| N24 | CO | N21 | C4 | 147.4° | 161.1° |
| N24 | CO | N21 | C1 | 10.1° | 22.3° |
| CO | N24 | C19 | H19 | 76.9° | 84.7° |
| C53 | C15 | C14 | C13 | 15.0° | 25.4° |
| C53 | C15 | C14 | N23 | 156.6° | 152.6° |
| C15 | C53 | H53 | H53A | 120.0° | 120.5° |
| C15 | C53 | H53 | H53B | 120.0° | 120.3° |
| C15 | C53 | H53A | H53B | 120.0° | 119.9° |
| C15 | C14 | C13 | N23 | 172.5° | 178.2° |
| C15 | C14 | C13 | C48 | 72.0° | 77.9° |
| C15 | C14 | C13 | C12 | 163.5° | 151.4° |
| C15 | C14 | N23 | C11 | 178.6° | 163.5° |
| C15 | C14 | N23 | CO | 33.3° | 20.5° |
| C14 | C15 | C53 | H53 | 5.0° | 166.1° |
| C14 | C15 | C53 | H53A | 115.1° | 46.1° |
| C14 | C15 | C53 | H53B | 125.0° | 73.8° |
| C15 | C14 | C13 | H13 | 48.4° | 37.3° |
| C14 | C13 | C48 | C12 | 116.6° | 117.7° |
| C14 | C13 | C48 | H13 | 120.6° | 115.7° |
| C14 | C13 | C12 | H13 | 115.4° | 114.0° |
| C14 | C13 | C48 | C49 | 156.6° | 145.9° |
| C14 | C13 | C12 | C46 | 143.7° | 147.0° |
| C14 | C13 | C12 | C47 | 90.3° | 88.5° |
| C14 | C13 | C12 | C11 | 21.8° | 25.9° |
| C13 | C14 | N23 | C11 | 9.0° | 14.8° |
| C13 | C14 | N23 | CO | 154.3° | 161.1° |
| C14 | C13 | C48 | H48 | 35.7° | 91.3° |
| C14 | C13 | C48 | H48A | 82.4° | 24.5° |
| N23 | C14 | C13 | C48 | 115.5° | 103.9° |
| N23 | C14 | C13 | C12 | 9.0° | 26.9° |
| C14 | N23 | C11 | C12 | 24.9° | 4.1° |
| C14 | N23 | C11 | CO | 145.5° | 176.1° |
| C14 | N23 | C11 | C10 | 160.8° | 179.8° |
| C14 | N23 | CO | N22 | 148.3° | 179.3° |
| C14 | N23 | CO | N21 | 12.8° | 68.2° |
| N23 | C14 | C13 | H13 | 124.1° | 140.9° |
| C48 | C13 | C12 | H13 | 122.9° | 126.3° |
| C13 | C48 | C49 | H48 | 120.9° | 123.2° |
| C13 | C48 | C49 | H48A | 120.9° | 122.1° |
| C13 | C48 | C49 | C50 | 40.2° | 73.8° |
| C48 | C13 | C12 | C46 | 22.1° | 27.3° |
| C48 | C13 | C12 | C47 | 148.0° | 151.8° |
| C48 | C13 | C12 | C11 | 99.9° | 93.7° |
| C13 | C48 | H48 | H48A | 117.1° | 117.0° |
| C13 | C48 | C49 | H49 | 160.6° | 47.9° |
| C13 | C48 | C49 | H49A | 80.2° | 165.0° |
| C12 | C13 | C48 | C49 | 86.8° | 96.4° |
| C13 | C12 | C46 | C47 | 125.8° | 125.9° |
| C13 | C12 | C46 | C11 | 116.5° | 112.9° |
| C13 | C12 | C47 | C11 | 108.5° | 107.7° |
| C13 | C12 | C11 | N23 | 30.3° | 20.0° |
| C13 | C12 | C11 | C10 | 155.3° | 164.0° |
| C12 | C13 | C48 | H48 | 152.3° | 26.4° |
| C12 | C13 | C48 | H48A | 34.1° | 142.2° |
| C13 | C12 | C46 | H46 | 180.0° | 175.7° |
| C13 | C12 | C46 | H46A | 60.0° | 64.8° |
| C13 | C12 | C46 | H46B | 60.0° | 55.2° |
| C13 | C12 | C47 | H47 | 180.0° | 65.5° |
| C13 | C12 | C47 | H47A | 60.0° | 54.6° |
| C13 | C12 | C47 | H47B | 60.0° | 174.3° |
| C48 | C49 | C50 | H49 | 120.4° | 121.9° |
| C48 | C49 | C50 | H49A | 120.4° | 121.2° |
| C48 | C49 | C50 | N52 | 67.8° | 82.4° |
| C48 | C49 | C50 | O51 | 112.5° | 97.4° |
| C49 | C48 | C13 | H13 | 36.0° | 30.2° |
| C49 | C48 | H48 | H48A | 117.1° | 115.1° |
| C48 | C49 | H49 | H49A | 118.8° | 117.6° |
| C49 | C50 | N52 | O51 | 179.7° | 179.9° |
| C50 | C49 | C48 | H48 | 80.8° | 163.0° |
| C50 | C49 | C48 | H48A | 161.1° | 48.3° |
| C50 | C49 | H49 | H49A | 118.7° | 117.5° |
| C49 | C50 | N52 | HN52 | 179.8° | 180.0° |
| C49 | C50 | N52 | HN5B | 0.2° | 0.1° |
| N52 | C50 | C49 | H49 | 52.6° | 155.7° |
| N52 | C50 | C49 | H49A | 171.8° | 38.8° |
| C50 | N52 | HN52 | HN5B | 180.0° | 179.9° |
| O51 | C50 | C49 | H49 | 127.1° | 24.4° |
| O51 | C50 | C49 | H49A | 8.0° | 141.3° |
| O51 | C50 | N52 | HN52 | 0.0° | 0.1° |
| O51 | C50 | N52 | HN5B | 180.0° | 180.0° |
| C46 | C12 | C47 | C11 | 120.9° | 123.7° |
| C46 | C12 | C11 | N23 | 156.7° | 143.1° |
| C46 | C12 | C11 | C10 | 28.9° | 40.9° |
| C46 | C12 | C13 | H13 | 100.8° | 99.0° |
| C12 | C46 | H46 | H46A | 120.0° | 120.0° |
| C12 | C46 | H46 | H46B | 120.0° | 120.7° |
| C12 | C46 | H46A | H46B | 120.0° | 120.3° |
| C46 | C12 | C47 | H47 | 49.3° | 63.1° |
| C46 | C12 | C47 | H47A | 169.3° | 176.8° |
| C46 | C12 | C47 | H47B | 70.7° | 57.1° |
| C47 | C12 | C11 | N23 | 83.8° | 96.1° |
| C47 | C12 | C11 | C10 | 90.6° | 79.9° |
| C47 | C12 | C13 | H13 | 25.1° | 25.5° |
| C47 | C12 | C46 | H46 | 54.2° | 49.8° |
| C47 | C12 | C46 | H46A | 65.7° | 169.3° |
| C47 | C12 | C46 | H46B | 174.2° | 70.7° |
| C12 | C47 | H47 | H47A | 120.0° | 120.4° |
| C12 | C47 | H47 | H47B | 120.0° | 120.5° |
| C12 | C47 | H47A | H47B | 120.0° | 120.2° |
| C12 | C11 | N23 | C10 | 174.3° | 176.2° |
| C12 | C11 | N23 | CO | 170.4° | 179.9° |
| C12 | C11 | C10 | C9 | 179.9° | 178.5° |
| C11 | C12 | C13 | H13 | 137.2° | 139.9° |
| C11 | C12 | C46 | H46 | 63.5° | 71.4° |
| C11 | C12 | C46 | H46A | 176.5° | 48.1° |
| C11 | C12 | C46 | H46B | 56.5° | 168.1° |
| C11 | C12 | C47 | H47 | 71.5° | 173.2° |
| C11 | C12 | C47 | H47A | 48.5° | 53.1° |
| C11 | C12 | C47 | H47B | 168.5° | 66.5° |
| C12 | C11 | C10 | H311 | 0.1° | 1.4° |
| N23 | C11 | C10 | C9 | 6.4° | 2.8° |
| C11 | N23 | CO | N22 | 9.6° | 5.3° |
| C11 | N23 | CO | N21 | 126.0° | 107.2° |
| N23 | C11 | C10 | H311 | 173.6° | 174.4° |
| C10 | C11 | N23 | CO | 15.3° | 3.7° |
| C11 | C10 | C9 | H311 | 180.0° | 177.2° |
| C11 | C10 | C9 | C8 | 177.6° | 174.3° |
| C11 | C10 | C9 | N22 | 8.8° | 5.7° |
| N23 | CO | N22 | C9 | 2.9° | 7.6° |
| N23 | CO | N22 | C6 | 144.8° | 169.0° |
| N23 | CO | N22 | N21 | 173.4° | 166.5° |
| N23 | CO | N21 | C4 | 179.4° | 129.6° |
| N23 | CO | N21 | C1 | 42.0° | 47.0° |
| C10 | C9 | C8 | N22 | 174.6° | 179.9° |
| C10 | C9 | C8 | C41 | 85.4° | 77.0° |
| C10 | C9 | C8 | C7 | 153.3° | 155.0° |
| C10 | C9 | N22 | C6 | 159.1° | 168.6° |
| C10 | C9 | N22 | CO | 12.0° | 8.6° |
| C10 | C9 | C8 | H8 | 36.4° | 40.1° |
| C9 | C8 | C41 | C7 | 111.4° | 114.5° |
| C9 | C8 | C41 | H8 | 122.2° | 116.4° |
| C9 | C8 | C7 | H8 | 117.4° | 112.7° |
| C9 | C8 | C41 | C42 | 60.1° | 98.3° |
| C9 | C8 | C7 | C36 | 145.0° | 148.0° |
| C9 | C8 | C7 | C37 | 87.9° | 89.3° |
| C9 | C8 | C7 | C6 | 24.5° | 26.6° |
| C8 | C9 | N22 | C6 | 26.6° | 11.5° |
| C8 | C9 | N22 | CO | 173.7° | 171.4° |
| C8 | C9 | C10 | H311 | 2.4° | 8.5° |
| C9 | C8 | C41 | H41 | 60.4° | 140.2° |
| C9 | C8 | C41 | H41A | 179.4° | 23.3° |
| N22 | C9 | C8 | C41 | 89.1° | 102.9° |
| N22 | C9 | C8 | C7 | 32.1° | 25.1° |
| C9 | N22 | C6 | C7 | 8.8° | 8.2° |
| C9 | N22 | C6 | CO | 146.5° | 176.9° |
| C9 | N22 | C6 | C5 | 176.2° | 176.1° |
| C9 | N22 | CO | N21 | 176.3° | 158.9° |
| N22 | C9 | C10 | H311 | 171.2° | 171.5° |
| N22 | C9 | C8 | H8 | 149.0° | 140.0° |
| C41 | C8 | C7 | H8 | 126.4° | 128.4° |
| C8 | C41 | C42 | H41 | 120.5° | 122.7° |
| C8 | C41 | C42 | H41A | 120.5° | 122.1° |
| C8 | C41 | C42 | C43 | 170.7° | 179.8° |
| C41 | C8 | C7 | C36 | 28.9° | 29.2° |
| C41 | C8 | C7 | C37 | 155.9° | 151.9° |
| C41 | C8 | C7 | C6 | 91.7° | 92.2° |
| C8 | C41 | H41 | H41A | 118.5° | 118.0° |
| C8 | C41 | C42 | H42 | 49.9° | 58.5° |
| C8 | C41 | C42 | H42A | 68.6° | 58.7° |
| C7 | C8 | C41 | C42 | 171.5° | 147.2° |
| C8 | C7 | C36 | C37 | 124.5° | 121.9° |
| C8 | C7 | C36 | C6 | 116.3° | 114.2° |
| C8 | C7 | C37 | C6 | 111.2° | 109.8° |
| C8 | C7 | C37 | C38 | 68.6° | 71.7° |
| C8 | C7 | C6 | N22 | 10.9° | 22.9° |
| C8 | C7 | C6 | C5 | 164.0° | 162.2° |
| C7 | C8 | C41 | H41 | 51.0° | 25.8° |
| C7 | C8 | C41 | H41A | 68.0° | 91.1° |
| C8 | C7 | C36 | H36 | 180.0° | 166.4° |
| C8 | C7 | C36 | H36A | 60.0° | 73.8° |
| C8 | C7 | C36 | H36B | 60.0° | 46.7° |
| C8 | C7 | C37 | H37 | 170.7° | 51.7° |
| C8 | C7 | C37 | H37A | 52.0° | 165.8° |
| C41 | C42 | C43 | H42 | 120.8° | 121.4° |
| C41 | C42 | C43 | H42A | 120.7° | 121.6° |
| C41 | C42 | C43 | N45 | 134.7° | 91.6° |
| C41 | C42 | C43 | O44 | 46.3° | 88.6° |
| C42 | C41 | C8 | H8 | 62.2° | 18.1° |
| C42 | C41 | H41 | H41A | 118.5° | 116.0° |
| C41 | C42 | H42 | H42A | 117.7° | 117.9° |
| C42 | C43 | N45 | O44 | 179.0° | 179.9° |
| C43 | C42 | C41 | H41 | 68.8° | 57.5° |
| C43 | C42 | C41 | H41A | 50.2° | 57.7° |
| C43 | C42 | H42 | H42A | 117.6° | 117.6° |
| C42 | C43 | N45 | HN45 | 179.0° | 179.8° |
| C42 | C43 | N45 | HN4A | 1.0° | 0.3° |
| N45 | C43 | C42 | H42 | 13.9° | 147.0° |
| N45 | C43 | C42 | H42A | 104.6° | 30.0° |
| C43 | N45 | HN45 | HN4A | 180.0° | 179.9° |
| O44 | C43 | C42 | H42 | 167.1° | 32.9° |
| O44 | C43 | C42 | H42A | 74.4° | 149.9° |
| O44 | C43 | N45 | HN45 | 0.0° | 0.1° |
| O44 | C43 | N45 | HN4A | 180.0° | 179.9° |
| C36 | C7 | C37 | C6 | 122.2° | 125.6° |
| C36 | C7 | C37 | C38 | 58.0° | 52.9° |
| C36 | C7 | C6 | N22 | 132.6° | 144.4° |
| C36 | C7 | C6 | C5 | 42.4° | 40.7° |
| C36 | C7 | C8 | H8 | 97.5° | 99.3° |
| C7 | C36 | H36 | H36A | 120.0° | 120.3° |
| C7 | C36 | H36 | H36B | 120.1° | 120.5° |
| C7 | C36 | H36A | H36B | 120.0° | 120.8° |
| C36 | C7 | C37 | H37 | 62.7° | 176.3° |
| C36 | C7 | C37 | H37A | 178.6° | 69.5° |
| C7 | C37 | C38 | H37 | 120.6° | 123.8° |
| C7 | C37 | C38 | H37A | 120.6° | 122.7° |
| C7 | C37 | C38 | N40 | 99.2° | 94.0° |
| C7 | C37 | C38 | O39 | 81.8° | 87.3° |
| C37 | C7 | C6 | N22 | 103.7° | 91.8° |
| C37 | C7 | C6 | C5 | 81.4° | 83.1° |
| C37 | C7 | C8 | H8 | 29.5° | 23.4° |
| C37 | C7 | C36 | H36 | 55.5° | 44.6° |
| C37 | C7 | C36 | H36A | 64.5° | 164.3° |
| C37 | C7 | C36 | H36B | 175.5° | 75.2° |
| C7 | C37 | H37 | H37A | 118.1° | 115.1° |
| C6 | C7 | C37 | C38 | 179.8° | 178.5° |
| C7 | C6 | N22 | C5 | 175.0° | 175.7° |
| C7 | C6 | N22 | CO | 155.3° | 168.7° |
| C7 | C6 | C5 | C35 | 2.5° | 17.8° |
| C7 | C6 | C5 | C4 | 178.8° | 156.6° |
| C6 | C7 | C8 | H8 | 141.9° | 139.4° |
| C6 | C7 | C36 | H36 | 63.7° | 79.3° |
| C6 | C7 | C36 | H36A | 176.3° | 40.4° |
| C6 | C7 | C36 | H36B | 56.3° | 160.9° |
| C6 | C7 | C37 | H37 | 59.6° | 58.1° |
| C6 | C7 | C37 | H37A | 59.2° | 56.0° |
| C37 | C38 | N40 | O39 | 178.9° | 178.6° |
| C38 | C37 | H37 | H37A | 118.0° | 114.2° |
| C37 | C38 | N40 | HN40 | 178.9° | 179.6° |
| C37 | C38 | N40 | HN4B | 1.0° | 0.7° |
| N40 | C38 | C37 | H37 | 21.4° | 142.2° |
| N40 | C38 | C37 | H37A | 140.1° | 28.7° |
| C38 | N40 | HN40 | HN4B | 180.0° | 179.7° |
| O39 | C38 | C37 | H37 | 157.6° | 36.4° |
| O39 | C38 | C37 | H37A | 38.8° | 149.9° |
| O39 | C38 | N40 | HN40 | 0.0° | 1.1° |
| O39 | C38 | N40 | HN4B | 180.0° | 179.3° |
| N22 | C6 | C5 | C35 | 176.7° | 156.7° |
| N22 | C6 | C5 | C4 | 4.6° | 28.9° |
| C6 | N22 | CO | N21 | 41.8° | 24.5° |
| C5 | C6 | N22 | CO | 29.7° | 6.9° |
| C6 | C5 | C35 | C4 | 178.7° | 174.6° |
| C6 | C5 | C4 | C3 | 177.6° | 146.8° |
| C6 | C5 | C4 | N21 | 7.7° | 38.8° |
| C6 | C5 | C35 | H35 | 180.0° | 24.0° |
| C6 | C5 | C35 | H35A | 60.0° | 143.8° |
| C6 | C5 | C35 | H35B | 60.0° | 96.4° |
| N22 | CO | N21 | C4 | 44.5° | 16.0° |
| N22 | CO | N21 | C1 | 178.1° | 160.6° |
| C35 | C5 | C4 | C3 | 1.2° | 27.8° |
| C35 | C5 | C4 | N21 | 173.6° | 146.6° |
| C5 | C35 | H35 | H35A | 120.0° | 120.3° |
| C5 | C35 | H35 | H35B | 120.0° | 120.3° |
| C5 | C35 | H35A | H35B | 120.0° | 119.9° |
| C5 | C4 | C3 | N21 | 175.2° | 174.9° |
| C5 | C4 | C3 | C30 | 75.7° | 74.9° |
| C5 | C4 | C3 | C2 | 162.8° | 152.7° |
| C5 | C4 | N21 | C1 | 175.6° | 172.7° |
| C5 | C4 | N21 | CO | 34.9° | 10.8° |
| C4 | C5 | C35 | H35 | 1.3° | 161.5° |
| C4 | C5 | C35 | H35A | 118.8° | 41.6° |
| C4 | C5 | C35 | H35B | 121.2° | 78.2° |
| C5 | C4 | C3 | H3 | 45.5° | 40.4° |
| C4 | C3 | C30 | C2 | 115.4° | 120.7° |
| C4 | C3 | C30 | H3 | 121.5° | 114.5° |
| C4 | C3 | C2 | H3 | 117.8° | 111.2° |
| C4 | C3 | C30 | C31 | 139.6° | 141.2° |
| C4 | C3 | C2 | C25 | 142.9° | 150.7° |
| C4 | C3 | C2 | C1 | 25.2° | 30.4° |
| C4 | C3 | C2 | C26 | 95.1° | 90.9° |
| C3 | C4 | N21 | C1 | 8.9° | 2.6° |
| C3 | C4 | N21 | CO | 149.6° | 173.9° |
| C4 | C3 | C30 | H30 | 19.1° | 96.0° |
| C4 | C3 | C30 | H30A | 100.0° | 19.9° |
| N21 | C4 | C3 | C30 | 99.5° | 110.1° |
| N21 | C4 | C3 | C2 | 22.0° | 22.2° |
| C4 | N21 | C1 | C2 | 8.1° | 17.3° |
| C4 | N21 | C1 | C20 | 112.4° | 105.7° |
| C4 | N21 | C1 | CO | 142.5° | 177.1° |
| N21 | C4 | C3 | H3 | 139.3° | 134.6° |
| C30 | C3 | C2 | H3 | 123.2° | 124.6° |
| C3 | C30 | C31 | H30 | 120.5° | 123.3° |
| C3 | C30 | C31 | H30A | 120.5° | 121.8° |
| C3 | C30 | C31 | C32 | 162.1° | 165.5° |
| C30 | C3 | C2 | C25 | 23.9° | 26.6° |
| C30 | C3 | C2 | C1 | 93.8° | 93.8° |
| C30 | C3 | C2 | C26 | 145.9° | 144.9° |
| C3 | C30 | H30 | H30A | 118.6° | 116.9° |
| C3 | C30 | C31 | H31 | 41.9° | 73.4° |
| C3 | C30 | C31 | H31A | 77.7° | 43.9° |
| C2 | C3 | C30 | C31 | 105.0° | 98.1° |
| C3 | C2 | C25 | C1 | 114.1° | 114.3° |
| C3 | C2 | C25 | C26 | 119.7° | 117.5° |
| C3 | C2 | C1 | C26 | 115.3° | 114.0° |
| C3 | C2 | C1 | C20 | 90.8° | 79.3° |
| C3 | C2 | C1 | N21 | 20.8° | 28.5° |
| C3 | C2 | C26 | C27 | 57.4° | 70.9° |
| C2 | C3 | C30 | H30 | 134.5° | 24.7° |
| C2 | C3 | C30 | H30A | 15.5° | 140.6° |
| C3 | C2 | C25 | H25 | 180.0° | 173.8° |
| C3 | C2 | C25 | H25A | 60.0° | 66.0° |
| C3 | C2 | C25 | H25B | 60.0° | 53.5° |
| C3 | C2 | C26 | H26 | 178.0° | 52.6° |
| C3 | C2 | C26 | H26A | 63.2° | 167.2° |
| C30 | C31 | C32 | H31 | 120.2° | 121.1° |
| C30 | C31 | C32 | H31A | 120.2° | 121.8° |
| C30 | C31 | C32 | N33 | 150.6° | 92.3° |
| C30 | C31 | C32 | O34 | 29.4° | 87.6° |
| C31 | C30 | C3 | H3 | 18.1° | 26.7° |
| C31 | C30 | H30 | H30A | 118.6° | 115.4° |
| C30 | C31 | H31 | H31A | 119.5° | 118.1° |
| C31 | C32 | N33 | O34 | 180.0° | 179.9° |
| C32 | C31 | C30 | H30 | 77.5° | 42.2° |
| C32 | C31 | C30 | H30A | 41.6° | 72.7° |
| C32 | C31 | H31 | H31A | 119.5° | 117.8° |
| C31 | C32 | N33 | HN33 | 180.0° | 179.7° |
| C31 | C32 | N33 | HN3A | 0.0° | 0.4° |
| N33 | C32 | C31 | H31 | 89.2° | 146.6° |
| N33 | C32 | C31 | H31A | 30.4° | 29.4° |
| C32 | N33 | HN33 | HN3A | 180.0° | 180.0° |
| O34 | C32 | C31 | H31 | 90.8° | 33.5° |
| O34 | C32 | C31 | H31A | 149.6° | 150.6° |
| O34 | C32 | N33 | HN33 | 0.0° | 0.4° |
| O34 | C32 | N33 | HN3A | 180.0° | 179.6° |
| C25 | C2 | C1 | C26 | 124.4° | 123.6° |
| C25 | C2 | C1 | C20 | 29.6° | 43.1° |
| C25 | C2 | C1 | N21 | 141.2° | 150.9° |
| C25 | C2 | C26 | C27 | 65.9° | 52.1° |
| C25 | C2 | C3 | H3 | 99.3° | 98.0° |
| C2 | C25 | H25 | H25A | 120.0° | 121.2° |
| C2 | C25 | H25 | H25B | 120.0° | 120.7° |
| C2 | C25 | H25A | H25B | 120.0° | 120.5° |
| C25 | C2 | C26 | H26 | 54.7° | 175.6° |
| C25 | C2 | C26 | H26A | 173.4° | 69.8° |
| C2 | C1 | C20 | N21 | 114.8° | 107.9° |
| C2 | C1 | N21 | CO | 134.3° | 165.6° |
| C1 | C2 | C26 | C27 | 170.5° | 177.9° |
| C2 | C1 | C19 | H19 | 39.7° | 37.2° |
| C1 | C2 | C3 | H3 | 143.0° | 141.6° |
| C1 | C2 | C25 | H25 | 65.8° | 71.9° |
| C1 | C2 | C25 | H25A | 174.1° | 48.2° |
| C1 | C2 | C25 | H25B | 54.1° | 167.8° |
| C2 | C1 | C20 | H20 | 45.2° | 41.1° |
| C2 | C1 | C20 | H20A | 165.2° | 78.2° |
| C2 | C1 | C20 | H20B | 74.8° | 160.8° |
| C1 | C2 | C26 | H26 | 68.8° | 58.6° |
| C1 | C2 | C26 | H26A | 49.9° | 55.9° |
| C26 | C2 | C1 | C20 | 154.0° | 166.7° |
| C26 | C2 | C1 | N21 | 94.4° | 85.4° |
| C2 | C26 | C27 | H26 | 120.6° | 123.9° |
| C2 | C26 | C27 | H26A | 120.6° | 122.9° |
| C2 | C26 | C27 | O28 | 97.5° | 87.5° |
| C2 | C26 | C27 | N29 | 82.8° | 95.5° |
| C26 | C2 | C3 | H3 | 22.7° | 20.3° |
| C26 | C2 | C25 | H25 | 60.4° | 56.3° |
| C26 | C2 | C25 | H25A | 59.7° | 176.5° |
| C26 | C2 | C25 | H25B | 179.7° | 63.9° |
| C2 | C26 | H26 | H26A | 118.0° | 116.0° |
| C20 | C1 | N21 | CO | 105.1° | 71.4° |
| C20 | C1 | C19 | H19 | 168.3° | 176.2° |
| C1 | C20 | H20 | H20A | 120.0° | 120.5° |
| C1 | C20 | H20 | H20B | 120.0° | 121.2° |
| C1 | C20 | H20A | H20B | 120.0° | 121.9° |
| N21 | C1 | C19 | H19 | 86.4° | 71.3° |
| N21 | C1 | C20 | H20 | 69.7° | 66.8° |
| N21 | C1 | C20 | H20A | 50.3° | 173.8° |
| N21 | C1 | C20 | H20B | 170.4° | 52.9° |
| C26 | C27 | O28 | N29 | 179.6° | 177.0° |
| C27 | C26 | H26 | H26A | 118.0° | 113.5° |
| C26 | C27 | N29 | HN29 | 179.7° | 179.6° |
| C26 | C27 | N29 | HN2A | 0.3° | 0.7° |
| O28 | C27 | C26 | H26 | 141.9° | 36.4° |
| O28 | C27 | C26 | H26A | 23.1° | 149.7° |
| O28 | C27 | N29 | HN29 | 0.0° | 2.6° |
| O28 | C27 | N29 | HN2A | 180.0° | 177.7° |
| N29 | C27 | C26 | H26 | 37.8° | 140.6° |
| N29 | C27 | C26 | H26A | 156.5° | 27.4° |
| C27 | N29 | HN29 | HN2A | 180.0° | 179.7° |
| C71 | C72 | C73 | O8 | 82.3° | 125.2° |
| C71 | C72 | C73 | H69 | 130.7° | 117.0° |
| C71 | C72 | O8 | H69 | 125.8° | 116.1° |
| C72 | C71 | N59 | HN59 | 157.3° | 91.9° |
| C72 | C71 | H67 | H68 | 122.0° | 119.1° |
| C71 | C72 | C73 | H70 | 180.0° | 179.7° |
| C71 | C72 | C73 | H71 | 60.0° | 60.5° |
| C71 | C72 | C73 | H72 | 60.0° | 59.8° |
| C71 | C72 | O8 | H73 | 92.0° | 166.4° |
| C73 | C72 | O8 | H69 | 145.6° | 118.0° |
| C73 | C72 | C71 | H67 | 60.7° | 59.2° |
| C73 | C72 | C71 | H68 | 60.7° | 58.6° |
| C72 | C73 | H70 | H71 | 120.0° | 120.2° |
| C72 | C73 | H70 | H72 | 120.0° | 120.3° |
| C72 | C73 | H71 | H72 | 120.0° | 120.6° |
| C73 | C72 | O8 | H73 | 179.4° | 67.8° |
| O8 | C72 | C71 | H67 | 161.4° | 66.1° |
| O8 | C72 | C71 | H68 | 40.1° | 176.0° |
| O8 | C72 | C73 | H70 | 97.7° | 55.1° |
| O8 | C72 | C73 | H71 | 142.3° | 64.7° |
| O8 | C72 | C73 | H72 | 22.3° | 175.0° |
| HN59 | N59 | C71 | H67 | 83.4° | 29.4° |
| HN59 | N59 | C71 | H68 | 38.0° | 146.1° |
| H56 | C56 | C55 | H55 | 172.5° | 101.8° |
| H56 | C56 | C55 | H55A | 54.4° | 144.9° |
| H56A | C56 | C55 | H55 | 68.8° | 14.5° |
| H56A | C56 | C55 | H55A | 173.1° | 98.9° |
| H54 | C54 | H54A | H54B | 120.0° | 118.7° |
| H18 | C18 | C19 | H19 | 161.0° | 162.7° |
| H18 | C18 | C60 | H60 | 153.0° | 75.3° |
| H18 | C18 | C60 | H60A | 86.3° | 169.1° |
| H53 | C53 | H53A | H53B | 120.0° | 119.0° |
| H13 | C13 | C48 | H48 | 84.9° | 153.1° |
| H13 | C13 | C48 | H48A | 157.0° | 91.2° |
| H48 | C48 | C49 | H49 | 39.7° | 75.3° |
| H48 | C48 | C49 | H49A | 158.8° | 41.8° |
| H48A | C48 | C49 | H49 | 78.5° | 170.0° |
| H48A | C48 | C49 | H49A | 40.7° | 72.9° |
| H46 | C46 | H46A | H46B | 119.9° | 119.3° |
| H47 | C47 | H47A | H47B | 120.0° | 119.3° |
| H8 | C8 | C41 | H41 | 177.3° | 103.4° |
| H8 | C8 | C41 | H41A | 58.3° | 139.7° |
| H41 | C41 | C42 | H42 | 170.4° | 178.8° |
| H41 | C41 | C42 | H42A | 51.9° | 64.0° |
| H41A | C41 | C42 | H42 | 70.6° | 63.6° |
| H41A | C41 | C42 | H42A | 170.9° | 179.2° |
| H36 | C36 | H36A | H36B | 120.0° | 118.7° |
| H35 | C35 | H35A | H35B | 120.0° | 119.4° |
| H3 | C3 | C30 | H30 | 102.4° | 149.5° |
| H3 | C3 | C30 | H30A | 138.6° | 94.6° |
| H30 | C30 | C31 | H31 | 162.3° | 163.3° |
| H30 | C30 | C31 | H31A | 42.7° | 79.4° |
| H30A | C30 | C31 | H31 | 78.6° | 48.4° |
| H30A | C30 | C31 | H31A | 161.8° | 165.6° |
| H25 | C25 | H25A | H25B | 120.0° | 118.6° |
| H20 | C20 | H20A | H20B | 120.0° | 117.6° |
| H67 | C71 | C72 | H69 | 70.1° | 177.2° |
| H68 | C71 | C72 | H69 | 168.6° | 59.3° |
| H69 | C72 | C73 | H70 | 49.3° | 62.7° |
| H69 | C72 | C73 | H71 | 70.8° | 177.5° |
| H69 | C72 | C73 | H72 | 169.3° | 57.2° |
| H69 | C72 | O8 | H73 | 33.8° | 50.3° |
| H70 | C73 | H71 | H72 | 119.9° | 119.5° |
