3Y8
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O23 | C21 | doub | 1.21Å | 1.25Å | |
| O22 | C21 | sing | 1.34Å | 1.21Å | |
| C21 | C47 | sing | 1.51Å | 1.59Å | |
| O51 | C50 | doub | 1.21Å | 1.25Å | |
| C47 | C12 | sing | 1.51Å | 1.54Å | |
| C50 | O52 | sing | 1.34Å | 1.29Å | |
| C50 | C49 | sing | 1.51Å | 1.49Å | |
| C48 | C49 | sing | 1.53Å | 1.53Å | |
| C48 | C13 | sing | 1.51Å | 1.53Å | |
| O45 | C43 | doub | 1.21Å | 1.16Å | |
| C12 | C13 | doub | 1.33Å | 1.33Å | |
| C12 | C11 | sing | 1.53Å | 1.45Å | |
| C13 | C14 | sing | 1.46Å | 1.45Å | |
| C24 | C11 | sing | 1.53Å | 1.53Å | |
| C43 | C42 | sing | 1.51Å | 1.59Å | |
| C43 | O44 | sing | 1.34Å | 1.24Å | |
| O58 | C57 | doub | 1.22Å | 1.26Å | |
| C11 | C10 | sing | 1.51Å | 1.56Å | |
| C11 | N23 | sing | 1.46Å | 1.44Å | |
| C42 | C41 | sing | 1.53Å | 1.52Å | |
| C14 | N23 | doub | 1.29Å | 1.36Å | |
| C14 | C15 | sing | 1.52Å | 1.38Å | |
| C10 | C9 | sing | 1.50Å | 1.49Å | |
| C57 | O59 | sing | 1.35Å | 1.31Å | |
| C57 | C56 | sing | 1.47Å | 1.50Å | |
| C15 | C16 | sing | 1.53Å | 1.47Å | |
| C41 | C8 | sing | 1.53Å | 1.52Å | |
| C9 | C8 | sing | 1.50Å | 1.34Å | |
| C9 | N22 | doub | 1.28Å | 1.40Å | |
| C56 | C55 | doub | 1.33Å | 1.56Å | |
| C55 | C17 | sing | 1.51Å | 1.60Å | |
| C8 | C7 | sing | 1.55Å | 1.49Å | |
| C16 | C17 | sing | 1.52Å | 1.50Å | |
| C16 | N24 | sing | 1.49Å | 1.34Å | |
| N22 | C6 | sing | 1.46Å | 1.35Å | |
| C17 | C54 | sing | 1.53Å | 1.51Å | |
| C17 | C18 | sing | 1.56Å | 1.56Å | |
| C36 | C7 | sing | 1.53Å | 1.56Å | |
| N24 | C19 | sing | 1.51Å | 1.47Å | |
| C7 | C6 | sing | 1.53Å | 1.42Å | |
| C7 | C37 | sing | 1.54Å | 1.58Å | |
| C6 | C5 | sing | 1.49Å | 1.44Å | |
| C20 | C1 | sing | 1.54Å | 1.53Å | |
| C18 | C19 | sing | 1.52Å | 1.59Å | |
| C18 | C60 | sing | 1.53Å | 1.53Å | |
| N21 | C1 | sing | 1.48Å | 1.46Å | |
| N21 | C4 | sing | 1.38Å | 1.29Å | |
| C19 | C1 | sing | 1.51Å | 1.53Å | |
| C37 | C38 | sing | 1.51Å | 1.48Å | |
| O63 | C61 | doub | 1.21Å | 1.26Å | |
| C5 | C4 | doub | 1.32Å | 1.34Å | |
| C5 | C35 | sing | 1.53Å | 1.36Å | |
| C1 | C2 | sing | 1.53Å | 1.57Å | |
| C4 | C3 | sing | 1.51Å | 1.53Å | |
| C38 | O40 | doub | 1.21Å | 1.23Å | |
| C38 | O39 | sing | 1.34Å | 1.27Å | |
| C60 | C61 | sing | 1.51Å | 1.46Å | |
| C61 | O62 | sing | 1.34Å | 1.29Å | |
| C30 | C3 | sing | 1.53Å | 1.56Å | |
| C30 | C31 | sing | 1.53Å | 1.50Å | |
| C3 | C2 | sing | 1.55Å | 1.54Å | |
| C2 | C25 | sing | 1.53Å | 1.54Å | |
| C2 | C26 | sing | 1.52Å | 1.54Å | |
| O34 | C32 | doub | 1.21Å | 1.29Å | |
| C26 | C27 | sing | 1.51Å | 1.56Å | |
| C32 | C31 | sing | 1.51Å | 1.59Å | |
| C32 | O33 | sing | 1.34Å | 1.23Å | |
| C27 | O29 | doub | 1.21Å | 1.23Å | |
| C27 | O28 | sing | 1.34Å | 1.24Å | |
| C48 | H1 | sing | 1.09Å | 1.10Å | |
| C48 | H2 | sing | 1.09Å | 1.10Å | |
| C47 | H3 | sing | 1.09Å | 1.10Å | |
| C47 | H4 | sing | 1.09Å | 1.10Å | |
| C42 | H5 | sing | 1.09Å | 1.10Å | |
| C42 | H6 | sing | 1.09Å | 1.10Å | |
| C41 | H7 | sing | 1.09Å | 1.10Å | |
| C41 | H8 | sing | 1.09Å | 1.10Å | |
| C37 | H9 | sing | 1.09Å | 1.10Å | |
| C37 | H10 | sing | 1.09Å | 1.10Å | |
| C36 | H11 | sing | 1.09Å | 1.10Å | |
| C36 | H12 | sing | 1.09Å | 1.10Å | |
| C36 | H13 | sing | 1.09Å | 1.10Å | |
| C35 | H14 | sing | 1.09Å | 1.10Å | |
| C35 | H15 | sing | 1.09Å | 1.10Å | |
| C35 | H16 | sing | 1.09Å | 1.10Å | |
| C31 | H17 | sing | 1.09Å | 1.10Å | |
| C31 | H18 | sing | 1.09Å | 1.10Å | |
| C8 | H19 | sing | 1.09Å | 1.10Å | |
| C6 | H20 | sing | 1.12Å | 1.10Å | |
| C3 | H21 | sing | 1.09Å | 1.10Å | |
| C15 | H22 | sing | 1.09Å | 1.10Å | |
| C15 | H23 | sing | 1.09Å | 1.10Å | |
| C16 | H24 | sing | 1.10Å | 1.10Å | |
| C18 | H25 | sing | 1.08Å | 1.10Å | |
| C19 | H26 | sing | 1.09Å | 1.10Å | |
| C20 | H27 | sing | 1.09Å | 1.10Å | |
| C20 | H28 | sing | 1.09Å | 1.10Å | |
| C20 | H29 | sing | 1.09Å | 1.10Å | |
| C24 | H30 | sing | 1.09Å | 1.10Å | |
| C24 | H31 | sing | 1.09Å | 1.10Å | |
| C24 | H32 | sing | 1.09Å | 1.10Å | |
| C25 | H33 | sing | 1.09Å | 1.10Å | |
| C25 | H34 | sing | 1.09Å | 1.10Å | |
| C25 | H35 | sing | 1.09Å | 1.10Å | |
| C26 | H36 | sing | 1.09Å | 1.10Å | |
| C26 | H37 | sing | 1.09Å | 1.10Å | |
| O59 | H38 | sing | 0.97Å | 0.95Å | |
| C56 | H39 | sing | 1.08Å | 1.08Å | |
| C55 | H40 | sing | 1.08Å | 1.08Å | |
| C54 | H41 | sing | 1.09Å | 1.10Å | |
| C54 | H42 | sing | 1.09Å | 1.10Å | |
| C54 | H43 | sing | 1.09Å | 1.10Å | |
| C60 | H44 | sing | 1.09Å | 1.10Å | |
| C60 | H45 | sing | 1.09Å | 1.10Å | |
| O62 | H46 | sing | 0.97Å | 0.95Å | |
| N24 | H47 | sing | 1.07Å | 1.00Å | |
| C49 | H49 | sing | 1.09Å | 1.10Å | |
| C49 | H50 | sing | 1.09Å | 1.10Å | |
| O52 | H51 | sing | 0.97Å | 0.95Å | |
| O22 | H52 | sing | 0.97Å | 0.95Å | |
| C10 | H53 | sing | 1.11Å | 1.10Å | |
| C10 | H54 | sing | 1.10Å | 1.10Å | |
| O44 | H55 | sing | 0.97Å | 0.95Å | |
| O39 | H56 | sing | 0.97Å | 0.95Å | |
| N21 | H57 | sing | 0.96Å | 1.00Å | |
| O28 | H58 | sing | 0.97Å | 0.95Å | |
| C30 | H59 | sing | 1.09Å | 1.10Å | |
| C30 | H60 | sing | 1.09Å | 1.10Å | |
| O33 | H61 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O23 | C21 | O22 | 127.2° | 120.0° |
| O23 | C21 | C47 | 115.1° | 120.1° |
| O22 | C21 | C47 | 117.7° | 120.0° |
| C21 | O22 | H52 | 109.5° | 117.0° |
| C21 | C47 | C12 | 111.4° | 109.4° |
| C21 | C47 | H3 | 109.0° | 109.4° |
| C21 | C47 | H4 | 109.0° | 109.4° |
| O51 | C50 | O52 | 125.3° | 120.0° |
| O51 | C50 | C49 | 120.6° | 120.0° |
| C47 | C12 | C13 | 125.4° | 127.4° |
| C47 | C12 | C11 | 122.6° | 126.5° |
| C12 | C47 | H3 | 109.0° | 109.5° |
| C12 | C47 | H4 | 109.0° | 109.5° |
| O52 | C50 | C49 | 113.9° | 120.0° |
| C50 | O52 | H51 | 109.5° | 117.0° |
| C50 | C49 | C48 | 116.7° | 109.5° |
| C50 | C49 | H49 | 107.6° | 109.4° |
| C50 | C49 | H50 | 107.6° | 109.5° |
| C49 | C48 | C13 | 109.5° | 109.5° |
| C49 | C48 | H1 | 109.5° | 109.4° |
| C49 | C48 | H2 | 109.5° | 109.4° |
| C48 | C49 | H49 | 107.6° | 109.5° |
| C48 | C49 | H50 | 107.6° | 109.5° |
| C48 | C13 | C12 | 129.9° | 125.4° |
| C48 | C13 | C14 | 122.6° | 125.2° |
| C13 | C48 | H1 | 109.4° | 109.5° |
| C13 | C48 | H2 | 109.5° | 109.5° |
| O45 | C43 | C42 | 116.0° | 120.0° |
| O45 | C43 | O44 | 128.2° | 120.0° |
| C13 | C12 | C11 | 112.0° | 106.1° |
| C12 | C13 | C14 | 107.4° | 109.4° |
| C12 | C11 | C24 | 113.0° | 107.5° |
| C12 | C11 | C10 | 108.4° | 109.0° |
| C12 | C11 | N23 | 102.7° | 104.9° |
| C13 | C14 | N23 | 107.3° | 111.3° |
| C13 | C14 | C15 | 124.3° | 124.9° |
| C24 | C11 | C10 | 112.2° | 111.5° |
| C24 | C11 | N23 | 112.3° | 110.6° |
| C11 | C24 | H30 | 109.5° | 109.5° |
| C11 | C24 | H31 | 109.5° | 109.5° |
| C11 | C24 | H32 | 109.5° | 109.5° |
| C42 | C43 | O44 | 114.8° | 120.0° |
| C43 | C42 | C41 | 103.4° | 109.5° |
| C43 | C42 | H5 | 111.0° | 109.5° |
| C43 | C42 | H6 | 111.0° | 109.4° |
| C43 | O44 | H55 | 109.5° | 117.0° |
| O58 | C57 | O59 | 127.3° | 120.0° |
| O58 | C57 | C56 | 117.9° | 120.0° |
| C10 | C11 | N23 | 107.8° | 113.0° |
| C11 | C10 | C9 | 114.3° | 117.2° |
| C11 | C10 | H53 | 108.2° | 108.6° |
| C11 | C10 | H54 | 108.3° | 108.7° |
| C11 | N23 | C14 | 110.5° | 108.4° |
| C42 | C41 | C8 | 111.3° | 109.4° |
| C41 | C42 | H5 | 111.0° | 109.5° |
| C41 | C42 | H6 | 111.0° | 109.4° |
| C42 | C41 | H7 | 109.0° | 109.5° |
| C42 | C41 | H8 | 109.0° | 109.4° |
| N23 | C14 | C15 | 128.4° | 123.8° |
| C14 | C15 | C16 | 119.7° | 106.1° |
| C14 | C15 | H22 | 106.9° | 109.9° |
| C14 | C15 | H23 | 106.9° | 108.3° |
| C10 | C9 | C8 | 129.5° | 128.6° |
| C10 | C9 | N22 | 121.4° | 120.7° |
| C9 | C10 | H53 | 108.3° | 108.1° |
| C9 | C10 | H54 | 108.3° | 108.0° |
| O59 | C57 | C56 | 114.3° | 120.0° |
| C57 | O59 | H38 | 109.5° | 117.0° |
| C57 | C56 | C55 | 116.1° | 120.0° |
| C57 | C56 | H39 | 122.0° | 120.0° |
| C15 | C16 | C17 | 124.4° | 113.5° |
| C15 | C16 | N24 | 121.0° | 107.5° |
| C16 | C15 | H22 | 106.8° | 110.7° |
| C16 | C15 | H23 | 106.8° | 111.3° |
| C15 | C16 | H24 | 94.4° | 108.3° |
| C41 | C8 | C9 | 123.5° | 112.3° |
| C41 | C8 | C7 | 127.7° | 108.6° |
| C8 | C41 | H7 | 109.0° | 109.5° |
| C8 | C41 | H8 | 109.0° | 109.5° |
| C41 | C8 | H19 | 90.4° | 109.9° |
| C8 | C9 | N22 | 109.0° | 110.6° |
| C9 | C8 | C7 | 108.8° | 105.8° |
| C9 | C8 | H19 | 90.5° | 110.4° |
| C9 | N22 | C6 | 108.5° | 113.1° |
| C56 | C55 | C17 | 115.6° | 120.0° |
| C55 | C56 | H39 | 122.0° | 120.0° |
| C56 | C55 | H40 | 122.2° | 120.0° |
| C55 | C17 | C16 | 107.9° | 110.7° |
| C55 | C17 | C54 | 113.0° | 110.1° |
| C55 | C17 | C18 | 107.4° | 109.6° |
| C17 | C55 | H40 | 122.2° | 120.0° |
| C8 | C7 | C36 | 108.5° | 110.7° |
| C8 | C7 | C6 | 102.3° | 102.0° |
| C8 | C7 | C37 | 114.3° | 110.0° |
| C7 | C8 | H19 | 90.4° | 109.7° |
| C17 | C16 | N24 | 112.8° | 109.1° |
| C16 | C17 | C54 | 112.8° | 113.0° |
| C16 | C17 | C18 | 101.3° | 103.3° |
| C17 | C16 | H24 | 94.2° | 110.4° |
| C16 | N24 | C19 | 113.2° | 106.4° |
| N24 | C16 | H24 | 94.7° | 107.8° |
| C16 | N24 | H47 | 108.5° | 101.9° |
| N22 | C6 | C7 | 111.0° | 107.4° |
| N22 | C6 | C5 | 120.8° | 114.6° |
| N22 | C6 | H20 | 90.5° | 104.4° |
| C54 | C17 | C18 | 113.6° | 109.9° |
| C17 | C54 | H41 | 109.5° | 109.5° |
| C17 | C54 | H42 | 109.5° | 109.5° |
| C17 | C54 | H43 | 109.5° | 109.5° |
| C17 | C18 | C19 | 105.9° | 103.1° |
| C17 | C18 | C60 | 117.5° | 108.8° |
| C17 | C18 | H25 | 108.3° | 108.3° |
| C36 | C7 | C6 | 113.5° | 113.2° |
| C36 | C7 | C37 | 105.8° | 109.9° |
| C7 | C36 | H11 | 109.5° | 109.4° |
| C7 | C36 | H12 | 109.5° | 109.5° |
| C7 | C36 | H13 | 109.5° | 109.5° |
| N24 | C19 | C18 | 102.5° | 106.2° |
| N24 | C19 | C1 | 105.6° | 105.3° |
| N24 | C19 | H26 | 110.7° | 105.4° |
| C19 | N24 | H47 | 108.5° | 100.7° |
| C6 | C7 | C37 | 112.7° | 110.7° |
| C7 | C6 | C5 | 128.2° | 116.7° |
| C7 | C6 | H20 | 90.5° | 107.2° |
| C7 | C37 | C38 | 115.5° | 109.5° |
| C7 | C37 | H9 | 107.9° | 109.5° |
| C7 | C37 | H10 | 107.9° | 109.4° |
| C6 | C5 | C4 | 126.9° | 125.4° |
| C6 | C5 | C35 | 114.3° | 116.1° |
| C5 | C6 | H20 | 90.5° | 105.7° |
| C20 | C1 | N21 | 103.5° | 107.0° |
| C20 | C1 | C19 | 111.3° | 111.2° |
| C20 | C1 | C2 | 111.1° | 109.5° |
| C1 | C20 | H27 | 109.5° | 109.5° |
| C1 | C20 | H28 | 109.5° | 109.5° |
| C1 | C20 | H29 | 109.4° | 109.5° |
| C19 | C18 | C60 | 108.1° | 111.2° |
| C18 | C19 | C1 | 118.7° | 116.6° |
| C19 | C18 | H25 | 108.0° | 115.0° |
| C18 | C19 | H26 | 109.1° | 109.2° |
| C18 | C60 | C61 | 117.2° | 109.5° |
| C60 | C18 | H25 | 108.7° | 110.1° |
| C18 | C60 | H44 | 107.5° | 109.5° |
| C18 | C60 | H45 | 107.5° | 109.5° |
| C1 | N21 | C4 | 114.2° | 111.0° |
| N21 | C1 | C19 | 108.3° | 107.7° |
| N21 | C1 | C2 | 102.6° | 105.2° |
| C1 | N21 | H57 | 108.3° | 123.8° |
| N21 | C4 | C5 | 120.2° | 124.7° |
| N21 | C4 | C3 | 110.1° | 109.2° |
| C4 | N21 | H57 | 108.3° | 125.1° |
| C19 | C1 | C2 | 118.5° | 115.7° |
| C1 | C19 | H26 | 109.9° | 113.3° |
| C37 | C38 | O40 | 119.9° | 120.0° |
| C37 | C38 | O39 | 114.1° | 120.0° |
| C38 | C37 | H9 | 107.9° | 109.5° |
| C38 | C37 | H10 | 108.0° | 109.5° |
| O63 | C61 | C60 | 122.0° | 120.0° |
| O63 | C61 | O62 | 122.7° | 120.0° |
| C4 | C5 | C35 | 118.8° | 118.5° |
| C5 | C4 | C3 | 129.7° | 126.1° |
| C5 | C35 | H14 | 109.5° | 109.5° |
| C5 | C35 | H15 | 109.5° | 109.5° |
| C5 | C35 | H16 | 109.5° | 109.5° |
| C1 | C2 | C3 | 101.9° | 103.4° |
| C1 | C2 | C25 | 113.6° | 110.7° |
| C1 | C2 | C26 | 110.5° | 114.2° |
| C4 | C3 | C30 | 110.9° | 111.7° |
| C4 | C3 | C2 | 102.6° | 105.3° |
| C4 | C3 | H21 | 106.7° | 110.6° |
| O40 | C38 | O39 | 125.4° | 120.0° |
| C38 | O39 | H56 | 109.5° | 117.0° |
| C60 | C61 | O62 | 115.2° | 120.0° |
| C61 | C60 | H44 | 107.5° | 109.4° |
| C61 | C60 | H45 | 107.5° | 109.4° |
| C61 | O62 | H46 | 109.5° | 117.0° |
| C3 | C30 | C31 | 111.7° | 109.5° |
| C30 | C3 | C2 | 122.7° | 109.3° |
| C30 | C3 | H21 | 106.4° | 110.6° |
| C3 | C30 | H59 | 108.9° | 109.5° |
| C3 | C30 | H60 | 108.9° | 109.5° |
| C30 | C31 | C32 | 110.2° | 109.5° |
| C30 | C31 | H17 | 109.3° | 109.5° |
| C30 | C31 | H18 | 109.3° | 109.4° |
| C31 | C30 | H59 | 108.9° | 109.5° |
| C31 | C30 | H60 | 108.9° | 109.5° |
| C3 | C2 | C25 | 111.6° | 109.2° |
| C3 | C2 | C26 | 106.5° | 108.7° |
| C2 | C3 | H21 | 106.6° | 109.1° |
| C25 | C2 | C26 | 112.1° | 110.4° |
| C2 | C25 | H33 | 109.5° | 109.4° |
| C2 | C25 | H34 | 109.5° | 109.5° |
| C2 | C25 | H35 | 109.5° | 109.5° |
| C2 | C26 | C27 | 113.3° | 109.5° |
| C2 | C26 | H36 | 108.5° | 109.5° |
| C2 | C26 | H37 | 108.5° | 109.4° |
| O34 | C32 | C31 | 113.6° | 120.0° |
| O34 | C32 | O33 | 136.4° | 120.0° |
| C26 | C27 | O29 | 120.2° | 120.0° |
| C26 | C27 | O28 | 115.9° | 120.0° |
| C27 | C26 | H36 | 108.5° | 109.5° |
| C27 | C26 | H37 | 108.5° | 109.4° |
| C31 | C32 | O33 | 109.3° | 120.0° |
| C32 | C31 | H17 | 109.3° | 109.5° |
| C32 | C31 | H18 | 109.3° | 109.5° |
| C32 | O33 | H61 | 109.5° | 117.0° |
| O29 | C27 | O28 | 123.9° | 120.0° |
| C27 | O28 | H58 | 109.5° | 117.0° |
| H1 | C48 | H2 | 109.5° | 109.5° |
| H3 | C47 | H4 | 109.5° | 109.5° |
| H5 | C42 | H6 | 109.5° | 109.5° |
| H7 | C41 | H8 | 109.5° | 109.5° |
| H9 | C37 | H10 | 109.5° | 109.5° |
| H11 | C36 | H12 | 109.5° | 109.5° |
| H11 | C36 | H13 | 109.4° | 109.4° |
| H12 | C36 | H13 | 109.5° | 109.5° |
| H14 | C35 | H15 | 109.4° | 109.5° |
| H14 | C35 | H16 | 109.5° | 109.4° |
| H15 | C35 | H16 | 109.5° | 109.5° |
| H17 | C31 | H18 | 109.5° | 109.5° |
| H22 | C15 | H23 | 109.5° | 110.5° |
| H27 | C20 | H28 | 109.5° | 109.5° |
| H27 | C20 | H29 | 109.5° | 109.4° |
| H28 | C20 | H29 | 109.5° | 109.4° |
| H30 | C24 | H31 | 109.5° | 109.5° |
| H30 | C24 | H32 | 109.5° | 109.5° |
| H31 | C24 | H32 | 109.4° | 109.5° |
| H33 | C25 | H34 | 109.5° | 109.5° |
| H33 | C25 | H35 | 109.4° | 109.5° |
| H34 | C25 | H35 | 109.5° | 109.5° |
| H36 | C26 | H37 | 109.5° | 109.5° |
| H41 | C54 | H42 | 109.4° | 109.5° |
| H41 | C54 | H43 | 109.5° | 109.5° |
| H42 | C54 | H43 | 109.5° | 109.4° |
| H44 | C60 | H45 | 109.5° | 109.5° |
| H49 | C49 | H50 | 109.5° | 109.5° |
| H53 | C10 | H54 | 109.5° | 105.7° |
| H59 | C30 | H60 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O23 | C21 | O22 | C47 | 179.5° | 180.0° |
| O23 | C21 | C47 | C12 | 133.9° | 0.0° |
| O23 | C21 | C47 | H3 | 105.8° | 119.9° |
| O23 | C21 | C47 | H4 | 13.6° | 120.0° |
| O23 | C21 | O22 | H52 | 0.0° | 0.1° |
| O22 | C21 | C47 | C12 | 45.7° | 180.0° |
| O22 | C21 | C47 | H3 | 74.6° | 60.0° |
| O22 | C21 | C47 | H4 | 166.0° | 60.0° |
| C21 | C47 | C12 | H3 | 120.3° | 119.9° |
| C21 | C47 | C12 | H4 | 120.3° | 120.0° |
| C21 | C47 | C12 | C13 | 96.0° | 95.0° |
| C21 | C47 | C12 | C11 | 84.9° | 85.0° |
| C21 | C47 | H3 | H4 | 119.1° | 120.0° |
| C47 | C21 | O22 | H52 | 179.5° | 180.0° |
| O51 | C50 | O52 | C49 | 174.3° | 179.9° |
| O51 | C50 | C49 | C48 | 4.7° | 0.0° |
| O51 | C50 | C49 | H49 | 116.3° | 120.0° |
| O51 | C50 | C49 | H50 | 125.7° | 120.0° |
| O51 | C50 | O52 | H51 | 0.0° | 0.1° |
| C47 | C12 | C13 | C48 | 7.1° | 0.1° |
| C47 | C12 | C13 | C11 | 179.2° | 180.0° |
| C47 | C12 | C13 | C14 | 177.8° | 179.6° |
| C47 | C12 | C11 | C24 | 55.8° | 62.5° |
| C47 | C12 | C11 | C10 | 69.1° | 58.5° |
| C47 | C12 | C11 | N23 | 177.0° | 179.7° |
| C12 | C47 | H3 | H4 | 119.1° | 120.1° |
| O52 | C50 | C49 | C48 | 169.9° | 180.0° |
| O52 | C50 | C49 | H49 | 69.0° | 60.0° |
| O52 | C50 | C49 | H50 | 48.9° | 60.0° |
| C50 | C49 | C48 | H49 | 121.0° | 120.0° |
| C50 | C49 | C48 | H50 | 121.0° | 120.0° |
| C50 | C49 | C48 | C13 | 176.4° | 180.0° |
| C50 | C49 | C48 | H1 | 56.4° | 60.0° |
| C50 | C49 | C48 | H2 | 63.6° | 60.0° |
| C50 | C49 | H49 | H50 | 116.7° | 120.0° |
| C49 | C50 | O52 | H51 | 174.3° | 180.0° |
| C49 | C48 | C13 | H1 | 120.0° | 120.0° |
| C49 | C48 | C13 | H2 | 120.0° | 120.0° |
| C49 | C48 | C13 | C12 | 94.6° | 95.0° |
| C49 | C48 | C13 | C14 | 79.8° | 84.7° |
| C49 | C48 | H1 | H2 | 120.0° | 119.9° |
| C48 | C49 | H49 | H50 | 116.7° | 120.0° |
| C48 | C13 | C12 | C14 | 175.0° | 179.7° |
| C48 | C13 | C12 | C11 | 172.0° | 179.9° |
| C48 | C13 | C14 | N23 | 174.6° | 179.9° |
| C48 | C13 | C14 | C15 | 5.3° | 0.6° |
| C13 | C48 | H1 | H2 | 120.0° | 120.0° |
| C13 | C48 | C49 | H49 | 62.6° | 60.0° |
| C13 | C48 | C49 | H50 | 55.4° | 60.0° |
| O45 | C43 | C42 | O44 | 169.4° | 179.9° |
| O45 | C43 | C42 | C41 | 108.0° | 0.1° |
| O45 | C43 | C42 | H5 | 132.9° | 120.0° |
| O45 | C43 | C42 | H6 | 11.0° | 120.0° |
| O45 | C43 | O44 | H55 | 0.0° | 0.1° |
| C13 | C12 | C11 | C24 | 125.0° | 117.5° |
| C13 | C12 | C11 | C10 | 110.1° | 121.5° |
| C13 | C12 | C11 | N23 | 3.8° | 0.3° |
| C12 | C13 | C14 | N23 | 0.9° | 0.4° |
| C12 | C13 | C14 | C15 | 179.2° | 179.1° |
| C12 | C13 | C48 | H1 | 25.4° | 145.0° |
| C12 | C13 | C48 | H2 | 145.4° | 25.0° |
| C13 | C12 | C47 | H3 | 24.3° | 145.1° |
| C13 | C12 | C47 | H4 | 143.7° | 25.0° |
| C11 | C12 | C13 | C14 | 3.0° | 0.4° |
| C12 | C11 | C24 | C10 | 122.8° | 119.4° |
| C12 | C11 | C24 | N23 | 115.6° | 114.0° |
| C12 | C11 | C10 | N23 | 110.5° | 116.2° |
| C12 | C11 | N23 | C14 | 3.2° | 0.1° |
| C12 | C11 | C10 | C9 | 178.8° | 164.4° |
| C11 | C12 | C47 | H3 | 154.8° | 35.0° |
| C11 | C12 | C47 | H4 | 35.4° | 155.1° |
| C12 | C11 | C24 | H30 | 180.0° | 53.3° |
| C12 | C11 | C24 | H31 | 60.0° | 66.7° |
| C12 | C11 | C24 | H32 | 60.0° | 173.3° |
| C12 | C11 | C10 | H53 | 58.2° | 41.6° |
| C12 | C11 | C10 | H54 | 60.4° | 72.9° |
| C13 | C14 | N23 | C11 | 1.6° | 0.2° |
| C13 | C14 | N23 | C15 | 179.9° | 179.4° |
| C13 | C14 | C15 | C16 | 179.0° | 172.6° |
| C14 | C13 | C48 | H1 | 160.2° | 35.4° |
| C14 | C13 | C48 | H2 | 40.2° | 155.4° |
| C13 | C14 | C15 | H22 | 59.6° | 53.0° |
| C13 | C14 | C15 | H23 | 57.5° | 67.8° |
| C24 | C11 | C10 | N23 | 124.1° | 125.3° |
| C24 | C11 | N23 | C14 | 124.8° | 115.6° |
| C24 | C11 | C10 | C9 | 55.8° | 77.1° |
| C11 | C24 | H30 | H31 | 120.0° | 120.0° |
| C11 | C24 | H30 | H32 | 120.0° | 120.0° |
| C11 | C24 | H31 | H32 | 120.0° | 120.0° |
| C24 | C11 | C10 | H53 | 176.4° | 160.2° |
| C24 | C11 | C10 | H54 | 65.0° | 45.7° |
| C43 | C42 | C41 | H5 | 119.0° | 120.1° |
| C43 | C42 | C41 | H6 | 119.0° | 119.9° |
| C43 | C42 | C41 | C8 | 175.0° | 175.5° |
| C43 | C42 | H5 | H6 | 122.8° | 120.0° |
| C43 | C42 | C41 | H7 | 64.7° | 64.6° |
| C43 | C42 | C41 | H8 | 54.7° | 55.5° |
| C42 | C43 | O44 | H55 | 167.9° | 180.0° |
| O44 | C43 | C42 | C41 | 82.6° | 180.0° |
| O44 | C43 | C42 | H5 | 36.5° | 59.9° |
| O44 | C43 | C42 | H6 | 158.4° | 60.1° |
| O58 | C57 | O59 | C56 | 172.3° | 180.0° |
| O58 | C57 | C56 | C55 | 17.4° | 0.0° |
| O58 | C57 | O59 | H38 | 0.0° | 0.0° |
| O58 | C57 | C56 | H39 | 162.6° | 180.0° |
| C10 | C11 | N23 | C14 | 111.2° | 118.7° |
| C11 | C10 | C9 | H53 | 120.7° | 123.0° |
| C11 | C10 | C9 | H54 | 120.7° | 123.1° |
| C11 | C10 | C9 | C8 | 145.8° | 53.4° |
| C11 | C10 | C9 | N22 | 38.8° | 127.3° |
| C10 | C11 | C24 | H30 | 57.2° | 66.1° |
| C10 | C11 | C24 | H31 | 62.9° | 173.9° |
| C10 | C11 | C24 | H32 | 177.2° | 53.8° |
| C11 | C10 | H53 | H54 | 117.8° | 116.5° |
| C11 | N23 | C14 | C15 | 178.3° | 179.3° |
| N23 | C11 | C10 | C9 | 68.4° | 48.2° |
| N23 | C11 | C24 | H30 | 64.4° | 167.3° |
| N23 | C11 | C24 | H31 | 175.6° | 47.3° |
| N23 | C11 | C24 | H32 | 55.6° | 72.8° |
| N23 | C11 | C10 | H53 | 52.3° | 74.5° |
| N23 | C11 | C10 | H54 | 170.9° | 171.0° |
| C42 | C41 | C8 | H7 | 120.3° | 120.0° |
| C42 | C41 | C8 | H8 | 120.3° | 119.9° |
| C42 | C41 | C8 | C9 | 88.1° | 160.2° |
| C42 | C41 | C8 | C7 | 90.3° | 83.2° |
| C41 | C42 | H5 | H6 | 122.8° | 120.0° |
| C42 | C41 | H7 | H8 | 119.1° | 120.0° |
| C42 | C41 | C8 | H19 | 178.9° | 36.8° |
| N23 | C14 | C15 | C16 | 0.9° | 8.0° |
| N23 | C14 | C15 | H22 | 120.5° | 127.7° |
| N23 | C14 | C15 | H23 | 122.4° | 111.5° |
| C14 | C15 | C16 | H22 | 121.4° | 119.1° |
| C14 | C15 | C16 | H23 | 121.5° | 117.5° |
| C14 | C15 | C16 | C17 | 165.4° | 177.5° |
| C14 | C15 | C16 | N24 | 31.0° | 56.6° |
| C14 | C15 | H22 | H23 | 115.4° | 119.4° |
| C14 | C15 | C16 | H24 | 67.2° | 59.6° |
| C10 | C9 | C8 | C41 | 4.6° | 73.2° |
| C10 | C9 | C8 | N22 | 175.9° | 179.3° |
| C10 | C9 | C8 | C7 | 176.8° | 168.5° |
| C10 | C9 | N22 | C6 | 172.8° | 169.9° |
| C10 | C9 | C8 | H19 | 86.2° | 49.9° |
| C9 | C10 | H53 | H54 | 117.8° | 115.4° |
| O59 | C57 | C56 | C55 | 155.6° | 180.0° |
| O59 | C57 | C56 | H39 | 24.4° | 0.0° |
| C57 | C56 | C55 | H39 | 180.0° | 180.0° |
| C57 | C56 | C55 | C17 | 169.0° | 175.0° |
| C56 | C57 | O59 | H38 | 172.3° | 180.0° |
| C57 | C56 | C55 | H40 | 11.0° | 4.9° |
| C15 | C16 | C17 | C55 | 65.0° | 103.8° |
| C15 | C16 | C17 | N24 | 164.8° | 119.9° |
| C15 | C16 | C17 | H24 | 98.3° | 121.8° |
| C15 | C16 | N24 | H24 | 98.0° | 116.6° |
| C15 | C16 | C17 | C54 | 60.6° | 20.2° |
| C15 | C16 | C17 | C18 | 177.6° | 138.9° |
| C15 | C16 | N24 | C19 | 172.9° | 121.8° |
| C16 | C15 | H22 | H23 | 115.4° | 123.8° |
| C15 | C16 | N24 | H47 | 52.3° | 16.7° |
| C41 | C8 | C9 | C7 | 178.6° | 118.3° |
| C41 | C8 | C9 | H19 | 90.8° | 123.1° |
| C41 | C8 | C9 | N22 | 179.6° | 107.4° |
| C41 | C8 | C7 | H19 | 90.8° | 120.2° |
| C41 | C8 | C7 | C36 | 63.0° | 7.7° |
| C41 | C8 | C7 | C6 | 176.8° | 113.1° |
| C41 | C8 | C7 | C37 | 54.7° | 129.3° |
| C8 | C41 | C42 | H5 | 55.9° | 55.4° |
| C8 | C41 | C42 | H6 | 66.0° | 64.6° |
| C8 | C41 | H7 | H8 | 119.1° | 120.1° |
| C9 | C8 | C7 | H19 | 90.6° | 119.1° |
| C8 | C9 | N22 | C6 | 3.5° | 9.5° |
| C9 | C8 | C7 | C36 | 115.6° | 128.4° |
| C9 | C8 | C7 | C6 | 4.6° | 7.6° |
| C9 | C8 | C7 | C37 | 126.7° | 109.9° |
| C9 | C8 | C41 | H7 | 32.2° | 79.8° |
| C9 | C8 | C41 | H8 | 151.7° | 40.3° |
| C8 | C9 | C10 | H53 | 93.6° | 176.4° |
| C8 | C9 | C10 | H54 | 25.0° | 69.7° |
| N22 | C9 | C8 | C7 | 0.9° | 10.9° |
| C9 | N22 | C6 | C7 | 6.7° | 4.1° |
| C9 | N22 | C6 | C5 | 174.9° | 135.4° |
| N22 | C9 | C8 | H19 | 89.7° | 129.5° |
| C9 | N22 | C6 | H20 | 84.0° | 109.5° |
| N22 | C9 | C10 | H53 | 81.9° | 4.3° |
| N22 | C9 | C10 | H54 | 159.5° | 109.6° |
| C56 | C55 | C17 | H40 | 180.0° | 179.9° |
| C56 | C55 | C17 | C16 | 57.8° | 119.0° |
| C56 | C55 | C17 | C54 | 176.7° | 6.7° |
| C56 | C55 | C17 | C18 | 50.7° | 127.7° |
| C55 | C17 | C16 | C54 | 125.6° | 124.0° |
| C55 | C17 | C16 | C18 | 112.6° | 117.3° |
| C55 | C17 | C16 | N24 | 130.3° | 136.3° |
| C55 | C17 | C54 | C18 | 122.6° | 120.8° |
| C55 | C17 | C18 | C19 | 133.2° | 150.0° |
| C55 | C17 | C18 | C60 | 106.0° | 91.9° |
| C55 | C17 | C16 | H24 | 33.3° | 18.0° |
| C55 | C17 | C18 | H25 | 17.6° | 27.7° |
| C17 | C55 | C56 | H39 | 11.0° | 5.1° |
| C55 | C17 | C54 | H41 | 180.0° | 177.0° |
| C55 | C17 | C54 | H42 | 60.0° | 57.0° |
| C55 | C17 | C54 | H43 | 60.0° | 62.9° |
| C8 | C7 | C6 | N22 | 6.9° | 2.8° |
| C8 | C7 | C36 | C6 | 113.0° | 113.9° |
| C8 | C7 | C36 | C37 | 123.0° | 121.8° |
| C8 | C7 | C6 | C37 | 123.2° | 117.1° |
| C8 | C7 | C6 | C5 | 174.8° | 127.3° |
| C8 | C7 | C37 | C38 | 66.1° | 176.9° |
| C7 | C8 | C41 | H7 | 149.4° | 36.8° |
| C7 | C8 | C41 | H8 | 30.0° | 156.9° |
| C8 | C7 | C37 | H9 | 54.8° | 56.8° |
| C8 | C7 | C37 | H10 | 173.0° | 63.2° |
| C8 | C7 | C36 | H11 | 180.0° | 171.8° |
| C8 | C7 | C36 | H12 | 60.0° | 68.2° |
| C8 | C7 | C36 | H13 | 60.0° | 51.8° |
| C8 | C7 | C6 | H20 | 83.9° | 114.5° |
| C17 | C16 | N24 | H24 | 96.6° | 119.9° |
| C16 | C17 | C54 | C18 | 114.6° | 114.8° |
| C17 | C16 | N24 | C19 | 7.5° | 1.8° |
| C16 | C17 | C18 | C19 | 20.2° | 31.9° |
| C16 | C17 | C18 | C60 | 141.0° | 150.1° |
| C17 | C16 | C15 | H22 | 44.0° | 63.4° |
| C17 | C16 | C15 | H23 | 73.2° | 59.9° |
| C16 | C17 | C18 | H25 | 95.4° | 90.3° |
| C16 | C17 | C55 | H40 | 122.1° | 61.1° |
| C16 | C17 | C54 | H41 | 57.3° | 58.6° |
| C16 | C17 | C54 | H42 | 177.2° | 178.6° |
| C16 | C17 | C54 | H43 | 62.8° | 61.5° |
| C17 | C16 | N24 | H47 | 113.0° | 106.8° |
| N24 | C16 | C17 | C54 | 104.2° | 99.7° |
| N24 | C16 | C17 | C18 | 17.7° | 19.0° |
| C16 | N24 | C19 | H47 | 120.6° | 105.9° |
| C16 | N24 | C19 | C18 | 6.2° | 22.6° |
| C16 | N24 | C19 | C1 | 131.1° | 146.8° |
| N24 | C16 | C15 | H22 | 152.4° | 175.8° |
| N24 | C16 | C15 | H23 | 90.4° | 60.9° |
| C16 | N24 | C19 | H26 | 110.0° | 93.1° |
| N22 | C6 | C7 | C36 | 109.8° | 121.8° |
| N22 | C6 | C7 | C5 | 178.3° | 130.1° |
| N22 | C6 | C7 | H20 | 90.7° | 111.7° |
| N22 | C6 | C7 | C37 | 130.0° | 114.3° |
| N22 | C6 | C5 | H20 | 90.9° | 114.4° |
| N22 | C6 | C5 | C4 | 14.9° | 52.1° |
| N22 | C6 | C5 | C35 | 166.4° | 127.8° |
| C54 | C17 | C18 | C19 | 101.1° | 88.9° |
| C54 | C17 | C18 | C60 | 19.7° | 29.2° |
| C54 | C17 | C16 | H24 | 158.9° | 142.0° |
| C54 | C17 | C18 | H25 | 143.3° | 148.8° |
| C54 | C17 | C55 | H40 | 3.3° | 173.2° |
| C17 | C54 | H41 | H42 | 120.0° | 120.0° |
| C17 | C54 | H41 | H43 | 120.0° | 120.1° |
| C17 | C54 | H42 | H43 | 120.0° | 120.0° |
| C17 | C18 | C19 | N24 | 16.7° | 34.0° |
| C17 | C18 | C19 | C60 | 126.7° | 116.4° |
| C17 | C18 | C19 | H25 | 115.8° | 117.6° |
| C17 | C18 | C60 | H25 | 123.4° | 118.5° |
| C17 | C18 | C19 | C1 | 132.4° | 150.9° |
| C17 | C18 | C60 | C61 | 69.6° | 68.0° |
| C18 | C17 | C16 | H24 | 79.3° | 99.3° |
| C17 | C18 | C19 | H26 | 100.7° | 79.1° |
| C18 | C17 | C55 | H40 | 129.4° | 52.2° |
| C18 | C17 | C54 | H41 | 57.4° | 56.3° |
| C18 | C17 | C54 | H42 | 62.6° | 63.7° |
| C18 | C17 | C54 | H43 | 177.4° | 176.3° |
| C17 | C18 | C60 | H44 | 51.5° | 51.9° |
| C17 | C18 | C60 | H45 | 169.3° | 172.0° |
| C36 | C7 | C6 | C37 | 120.2° | 123.9° |
| C36 | C7 | C6 | C5 | 68.5° | 8.3° |
| C36 | C7 | C37 | C38 | 174.6° | 54.7° |
| C36 | C7 | C37 | H9 | 64.5° | 65.3° |
| C36 | C7 | C37 | H10 | 53.8° | 174.7° |
| C7 | C36 | H11 | H12 | 120.0° | 120.0° |
| C7 | C36 | H11 | H13 | 120.0° | 119.9° |
| C7 | C36 | H12 | H13 | 120.0° | 120.0° |
| C36 | C7 | C8 | H19 | 153.8° | 112.5° |
| C36 | C7 | C6 | H20 | 159.5° | 126.5° |
| N24 | C19 | C1 | C20 | 76.1° | 86.5° |
| N24 | C19 | C18 | C1 | 115.7° | 116.9° |
| N24 | C19 | C18 | H26 | 117.4° | 113.1° |
| N24 | C19 | C18 | C60 | 143.4° | 150.5° |
| N24 | C19 | C1 | N21 | 37.0° | 30.4° |
| N24 | C19 | C1 | H26 | 119.4° | 114.6° |
| N24 | C19 | C1 | C2 | 153.3° | 147.7° |
| C19 | N24 | C16 | H24 | 89.1° | 121.7° |
| N24 | C19 | C18 | H25 | 99.1° | 83.6° |
| C7 | C6 | C5 | H20 | 91.0° | 119.0° |
| C6 | C7 | C37 | C38 | 50.1° | 71.1° |
| C7 | C6 | C5 | C4 | 167.0° | 74.6° |
| C7 | C6 | C5 | C35 | 11.8° | 105.5° |
| C6 | C7 | C37 | H9 | 171.0° | 168.9° |
| C6 | C7 | C37 | H10 | 70.7° | 48.9° |
| C6 | C7 | C36 | H11 | 67.0° | 57.9° |
| C6 | C7 | C36 | H12 | 173.0° | 177.9° |
| C6 | C7 | C36 | H13 | 53.0° | 62.0° |
| C6 | C7 | C8 | H19 | 86.0° | 126.7° |
| C37 | C7 | C6 | C5 | 51.7° | 115.6° |
| C7 | C37 | C38 | H9 | 120.9° | 120.1° |
| C7 | C37 | C38 | H10 | 120.9° | 120.0° |
| C7 | C37 | C38 | O40 | 41.3° | 2.1° |
| C7 | C37 | C38 | O39 | 146.9° | 177.9° |
| C7 | C37 | H9 | H10 | 117.3° | 120.0° |
| C37 | C7 | C36 | H11 | 57.0° | 66.5° |
| C37 | C7 | C36 | H12 | 63.0° | 53.5° |
| C37 | C7 | C36 | H13 | 177.0° | 173.6° |
| C37 | C7 | C8 | H19 | 36.1° | 9.2° |
| C37 | C7 | C6 | H20 | 39.3° | 2.6° |
| C6 | C5 | C4 | N21 | 4.5° | 2.4° |
| C6 | C5 | C4 | C35 | 178.7° | 179.9° |
| C6 | C5 | C4 | C3 | 178.2° | 178.6° |
| C6 | C5 | C35 | H14 | 180.0° | 173.9° |
| C6 | C5 | C35 | H15 | 60.0° | 53.8° |
| C6 | C5 | C35 | H16 | 60.0° | 66.2° |
| C20 | C1 | C19 | C18 | 38.0° | 30.9° |
| C20 | C1 | N21 | C19 | 118.2° | 119.6° |
| C20 | C1 | N21 | C2 | 115.7° | 116.4° |
| C20 | C1 | N21 | C4 | 97.4° | 96.4° |
| C20 | C1 | C19 | C2 | 130.7° | 125.8° |
| C20 | C1 | C2 | C3 | 82.6° | 90.5° |
| C20 | C1 | C2 | C25 | 37.5° | 26.4° |
| C20 | C1 | C2 | C26 | 164.5° | 151.6° |
| C20 | C1 | C19 | H26 | 164.5° | 158.9° |
| C1 | C20 | H27 | H28 | 120.0° | 120.0° |
| C1 | C20 | H27 | H29 | 120.0° | 120.0° |
| C1 | C20 | H28 | H29 | 120.0° | 120.0° |
| C20 | C1 | N21 | H57 | 141.9° | 84.8° |
| C19 | C18 | C60 | H25 | 117.0° | 128.6° |
| C18 | C19 | C1 | N21 | 151.1° | 147.7° |
| C18 | C19 | C1 | H26 | 126.5° | 128.0° |
| C18 | C19 | C1 | C2 | 92.7° | 95.0° |
| C19 | C18 | C60 | C61 | 170.7° | 179.1° |
| C19 | C18 | C60 | H44 | 68.2° | 61.0° |
| C19 | C18 | C60 | H45 | 49.6° | 59.1° |
| C18 | C19 | N24 | H47 | 126.8° | 128.5° |
| C60 | C18 | C19 | C1 | 100.9° | 92.6° |
| C18 | C60 | C61 | O63 | 16.2° | 7.2° |
| C18 | C60 | C61 | H44 | 121.1° | 120.0° |
| C18 | C60 | C61 | H45 | 121.1° | 120.0° |
| C18 | C60 | C61 | O62 | 165.9° | 172.7° |
| C60 | C18 | C19 | H26 | 26.0° | 37.4° |
| C18 | C60 | H44 | H45 | 116.5° | 120.0° |
| C1 | N21 | C4 | H57 | 120.7° | 178.8° |
| N21 | C1 | C19 | C2 | 116.2° | 117.3° |
| C1 | N21 | C4 | C5 | 177.4° | 174.2° |
| C1 | N21 | C4 | C3 | 0.5° | 6.7° |
| N21 | C1 | C2 | C3 | 27.4° | 24.2° |
| N21 | C1 | C2 | C25 | 147.6° | 141.0° |
| N21 | C1 | C2 | C26 | 85.4° | 93.7° |
| N21 | C1 | C19 | H26 | 82.4° | 84.3° |
| N21 | C1 | C20 | H27 | 180.0° | 53.5° |
| N21 | C1 | C20 | H28 | 60.0° | 66.5° |
| N21 | C1 | C20 | H29 | 60.0° | 173.5° |
| C4 | N21 | C1 | C19 | 144.4° | 144.0° |
| N21 | C4 | C5 | C3 | 177.4° | 179.0° |
| N21 | C4 | C5 | C35 | 176.8° | 177.5° |
| C4 | N21 | C1 | C2 | 18.3° | 20.0° |
| N21 | C4 | C3 | C30 | 114.7° | 109.4° |
| N21 | C4 | C3 | C2 | 18.0° | 9.2° |
| N21 | C4 | C3 | H21 | 129.9° | 126.9° |
| C19 | C1 | C2 | C3 | 146.7° | 142.9° |
| C19 | C1 | C2 | C25 | 93.2° | 100.3° |
| C19 | C1 | C2 | C26 | 33.8° | 25.0° |
| C1 | C19 | C18 | H25 | 16.6° | 33.3° |
| C19 | C1 | C20 | H27 | 63.8° | 170.8° |
| C19 | C1 | C20 | H28 | 176.1° | 50.8° |
| C19 | C1 | C20 | H29 | 56.1° | 69.2° |
| C1 | C19 | N24 | H47 | 108.3° | 107.3° |
| C19 | C1 | N21 | H57 | 23.7° | 34.8° |
| C37 | C38 | O40 | O39 | 170.9° | 179.9° |
| C38 | C37 | H9 | H10 | 117.3° | 120.0° |
| C37 | C38 | O39 | H56 | 171.3° | 180.0° |
| O63 | C61 | C60 | O62 | 177.8° | 179.9° |
| O63 | C61 | C60 | H44 | 137.4° | 127.3° |
| O63 | C61 | C60 | H45 | 104.8° | 112.8° |
| O63 | C61 | O62 | H46 | 0.0° | 0.1° |
| C5 | C4 | C3 | C30 | 62.9° | 71.5° |
| C5 | C4 | C3 | C2 | 164.4° | 169.9° |
| C4 | C5 | C35 | H14 | 1.1° | 6.0° |
| C4 | C5 | C35 | H15 | 118.9° | 126.1° |
| C4 | C5 | C35 | H16 | 121.1° | 113.9° |
| C4 | C5 | C6 | H20 | 76.0° | 166.4° |
| C5 | C4 | C3 | H21 | 52.6° | 52.2° |
| C5 | C4 | N21 | H57 | 61.9° | 7.1° |
| C35 | C5 | C4 | C3 | 0.6° | 1.5° |
| C5 | C35 | H14 | H15 | 120.0° | 120.1° |
| C5 | C35 | H14 | H16 | 120.0° | 120.0° |
| C5 | C35 | H15 | H16 | 120.0° | 120.0° |
| C35 | C5 | C6 | H20 | 102.8° | 13.5° |
| C1 | C2 | C3 | C4 | 27.0° | 20.5° |
| C1 | C2 | C3 | C30 | 98.3° | 99.7° |
| C1 | C2 | C3 | C25 | 121.5° | 117.9° |
| C1 | C2 | C3 | C26 | 115.8° | 121.7° |
| C1 | C2 | C25 | C26 | 126.2° | 127.4° |
| C1 | C2 | C26 | C27 | 173.0° | 175.2° |
| C1 | C2 | C3 | H21 | 139.0° | 139.2° |
| C2 | C1 | C19 | H26 | 33.8° | 33.0° |
| C2 | C1 | C20 | H27 | 70.5° | 60.0° |
| C2 | C1 | C20 | H28 | 49.5° | 180.0° |
| C2 | C1 | C20 | H29 | 169.5° | 60.0° |
| C1 | C2 | C25 | H33 | 180.0° | 173.2° |
| C1 | C2 | C25 | H34 | 60.0° | 53.2° |
| C1 | C2 | C25 | H35 | 60.0° | 66.8° |
| C1 | C2 | C26 | H36 | 66.4° | 64.8° |
| C1 | C2 | C26 | H37 | 52.4° | 55.3° |
| C2 | C1 | N21 | H57 | 102.4° | 158.8° |
| C4 | C3 | C30 | C2 | 121.5° | 116.1° |
| C4 | C3 | C30 | H21 | 115.7° | 123.7° |
| C4 | C3 | C30 | C31 | 153.2° | 66.7° |
| C4 | C3 | C2 | H21 | 112.0° | 118.7° |
| C4 | C3 | C2 | C25 | 148.5° | 138.3° |
| C4 | C3 | C2 | C26 | 88.8° | 101.3° |
| C3 | C4 | N21 | H57 | 120.3° | 172.1° |
| C4 | C3 | C30 | H59 | 32.9° | 173.3° |
| C4 | C3 | C30 | H60 | 86.4° | 53.3° |
| O40 | C38 | C37 | H9 | 162.1° | 122.2° |
| O40 | C38 | C37 | H10 | 79.6° | 117.8° |
| O40 | C38 | O39 | H56 | 0.0° | 0.1° |
| O39 | C38 | C37 | H9 | 26.0° | 57.9° |
| O39 | C38 | C37 | H10 | 92.3° | 62.1° |
| C61 | C60 | C18 | H25 | 53.8° | 50.4° |
| C61 | C60 | H44 | H45 | 116.5° | 120.0° |
| C60 | C61 | O62 | H46 | 177.8° | 180.0° |
| O62 | C61 | C60 | H44 | 44.8° | 52.7° |
| O62 | C61 | C60 | H45 | 73.0° | 67.3° |
| C3 | C30 | C31 | H59 | 120.3° | 120.0° |
| C3 | C30 | C31 | H60 | 120.3° | 120.0° |
| C30 | C3 | C2 | H21 | 122.7° | 121.1° |
| C30 | C3 | C2 | C25 | 23.2° | 18.2° |
| C30 | C3 | C2 | C26 | 145.9° | 138.6° |
| C3 | C30 | C31 | C32 | 171.9° | 172.8° |
| C3 | C30 | C31 | H17 | 68.0° | 67.2° |
| C3 | C30 | C31 | H18 | 51.8° | 52.8° |
| C3 | C30 | H59 | H60 | 119.0° | 120.0° |
| C31 | C30 | C3 | C2 | 85.2° | 177.2° |
| C30 | C31 | C32 | O34 | 63.3° | 0.0° |
| C30 | C31 | C32 | H17 | 120.1° | 120.0° |
| C30 | C31 | C32 | H18 | 120.1° | 120.0° |
| C30 | C31 | C32 | O33 | 124.7° | 180.0° |
| C30 | C31 | H17 | H18 | 119.6° | 120.0° |
| C31 | C30 | C3 | H21 | 37.6° | 57.0° |
| C31 | C30 | H59 | H60 | 119.0° | 120.0° |
| C3 | C2 | C25 | C26 | 119.4° | 119.4° |
| C3 | C2 | C26 | C27 | 63.1° | 60.3° |
| C3 | C2 | C25 | H33 | 65.6° | 60.0° |
| C3 | C2 | C25 | H34 | 54.4° | 60.0° |
| C3 | C2 | C25 | H35 | 174.5° | 180.0° |
| C3 | C2 | C26 | H36 | 176.3° | 179.6° |
| C3 | C2 | C26 | H37 | 57.4° | 59.6° |
| C2 | C3 | C30 | H59 | 154.4° | 57.2° |
| C2 | C3 | C30 | H60 | 35.1° | 62.7° |
| C25 | C2 | C26 | C27 | 59.2° | 59.4° |
| C25 | C2 | C3 | H21 | 99.5° | 103.0° |
| C2 | C25 | H33 | H34 | 120.0° | 120.0° |
| C2 | C25 | H33 | H35 | 120.0° | 120.0° |
| C2 | C25 | H34 | H35 | 120.0° | 120.0° |
| C25 | C2 | C26 | H36 | 61.4° | 60.7° |
| C25 | C2 | C26 | H37 | 179.7° | 179.3° |
| C2 | C26 | C27 | H36 | 120.6° | 120.1° |
| C2 | C26 | C27 | H37 | 120.6° | 119.9° |
| C2 | C26 | C27 | O29 | 93.2° | 0.1° |
| C2 | C26 | C27 | O28 | 86.5° | 179.9° |
| C26 | C2 | C3 | H21 | 23.2° | 17.5° |
| C26 | C2 | C25 | H33 | 53.8° | 59.3° |
| C26 | C2 | C25 | H34 | 173.8° | 179.4° |
| C26 | C2 | C25 | H35 | 66.1° | 60.7° |
| C2 | C26 | H36 | H37 | 118.3° | 120.0° |
| O34 | C32 | C31 | O33 | 172.0° | 179.9° |
| O34 | C32 | C31 | H17 | 56.8° | 120.0° |
| O34 | C32 | C31 | H18 | 176.6° | 120.0° |
| O34 | C32 | O33 | H61 | 0.0° | 0.1° |
| C26 | C27 | O29 | O28 | 179.7° | 180.0° |
| C27 | C26 | H36 | H37 | 118.3° | 120.0° |
| C26 | C27 | O28 | H58 | 179.7° | 179.9° |
| C32 | C31 | H17 | H18 | 119.7° | 120.0° |
| C32 | C31 | C30 | H59 | 51.6° | 52.8° |
| C32 | C31 | C30 | H60 | 67.8° | 67.2° |
| C31 | C32 | O33 | H61 | 169.3° | 180.0° |
| O33 | C32 | C31 | H17 | 115.1° | 59.9° |
| O33 | C32 | C31 | H18 | 4.7° | 60.1° |
| O29 | C27 | C26 | H36 | 146.2° | 120.0° |
| O29 | C27 | C26 | H37 | 27.4° | 120.0° |
| O29 | C27 | O28 | H58 | 0.0° | 0.0° |
| O28 | C27 | C26 | H36 | 34.1° | 60.0° |
| O28 | C27 | C26 | H37 | 153.0° | 60.0° |
| H1 | C48 | C49 | H49 | 177.5° | 179.9° |
| H1 | C48 | C49 | H50 | 64.6° | 60.1° |
| H2 | C48 | C49 | H49 | 57.5° | 60.0° |
| H2 | C48 | C49 | H50 | 175.4° | 180.0° |
| H5 | C42 | C41 | H7 | 176.2° | 175.3° |
| H5 | C42 | C41 | H8 | 64.3° | 64.6° |
| H6 | C42 | C41 | H7 | 54.3° | 55.4° |
| H6 | C42 | C41 | H8 | 173.7° | 175.4° |
| H7 | C41 | C8 | H19 | 58.6° | 156.8° |
| H8 | C41 | C8 | H19 | 60.9° | 83.1° |
| H11 | C36 | H12 | H13 | 119.9° | 120.0° |
| H14 | C35 | H15 | H16 | 120.0° | 120.0° |
| H17 | C31 | C30 | H59 | 171.7° | 172.8° |
| H17 | C31 | C30 | H60 | 52.3° | 52.8° |
| H18 | C31 | C30 | H59 | 68.6° | 67.2° |
| H18 | C31 | C30 | H60 | 172.1° | 172.8° |
| H21 | C3 | C30 | H59 | 82.7° | 63.0° |
| H21 | C3 | C30 | H60 | 157.9° | 177.0° |
| H22 | C15 | C16 | H24 | 54.2° | 59.5° |
| H23 | C15 | C16 | H24 | 171.3° | 177.1° |
| H24 | C16 | N24 | H47 | 150.3° | 133.3° |
| H25 | C18 | C19 | H26 | 143.5° | 163.3° |
| H25 | C18 | C60 | H44 | 174.9° | 170.4° |
| H25 | C18 | C60 | H45 | 67.3° | 69.5° |
| H26 | C19 | N24 | H47 | 10.5° | 12.8° |
| H27 | C20 | H28 | H29 | 120.0° | 119.9° |
| H30 | C24 | H31 | H32 | 120.0° | 120.0° |
| H33 | C25 | H34 | H35 | 120.0° | 120.1° |
| H39 | C56 | C55 | H40 | 169.1° | 175.0° |
| H41 | C54 | H42 | H43 | 120.0° | 120.0° |
