A1D6G
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O66 | C65 | doub | 1.22Å | 1.18Å | |
| C65 | O67 | sing | 1.34Å | 1.43Å | |
| C65 | N64 | sing | 1.34Å | 1.45Å | |
| O67 | C68 | sing | 1.47Å | 1.41Å | |
| C01 | C02 | sing | 1.53Å | 1.53Å | |
| N64 | C63 | sing | 1.48Å | 1.40Å | |
| C02 | C03 | sing | 1.53Å | 1.52Å | |
| C03 | C68 | sing | 1.54Å | 1.52Å | |
| C03 | O04 | sing | 1.45Å | 1.39Å | |
| O31 | C29 | doub | 1.22Å | 1.26Å | |
| C68 | C63 | sing | 1.53Å | 1.52Å | |
| C68 | C69 | sing | 1.53Å | 1.51Å | |
| C63 | C61 | sing | 1.53Å | 1.55Å | |
| C62 | C61 | sing | 1.54Å | 1.51Å | |
| O06 | C05 | doub | 1.21Å | 1.18Å | |
| O60 | C59 | doub | 1.21Å | 1.18Å | |
| C29 | O30 | sing | 1.35Å | 1.26Å | |
| C29 | C28 | sing | 1.47Å | 1.53Å | |
| C61 | C59 | sing | 1.51Å | 1.52Å | |
| O04 | C05 | sing | 1.34Å | 1.43Å | |
| C32 | C28 | doub | 1.38Å | 1.39Å | |
| C32 | N33 | sing | 1.34Å | 1.32Å | |
| C34 | N33 | sing | 1.47Å | 1.46Å | |
| C05 | C07 | sing | 1.51Å | 1.54Å | |
| C59 | C57 | sing | 1.50Å | 1.54Å | |
| C28 | C26 | sing | 1.47Å | 1.39Å | |
| N33 | C35 | sing | 1.38Å | 1.34Å | |
| C55 | O54 | sing | 1.43Å | 1.41Å | |
| C08 | C07 | sing | 1.52Å | 1.52Å | |
| O54 | C52 | sing | 1.42Å | 1.40Å | |
| C07 | C09 | sing | 1.52Å | 1.52Å | |
| C26 | O27 | doub | 1.22Å | 1.18Å | |
| C26 | C25 | sing | 1.47Å | 1.41Å | |
| C35 | C25 | doub | 1.41Å | 1.37Å | Aromatic |
| C35 | C36 | sing | 1.39Å | 1.41Å | Aromatic |
| C57 | C58 | sing | 1.53Å | 1.50Å | |
| C57 | C56 | sing | 1.53Å | 1.55Å | |
| C25 | C24 | sing | 1.40Å | 1.41Å | Aromatic |
| C36 | C22 | doub | 1.39Å | 1.39Å | Aromatic |
| C09 | C37 | sing | 1.52Å | 1.54Å | |
| C09 | O10 | sing | 1.45Å | 1.41Å | |
| C52 | C56 | sing | 1.53Å | 1.56Å | |
| C52 | C53 | sing | 1.56Å | 1.51Å | |
| C52 | C39 | sing | 1.51Å | 1.53Å | |
| C37 | C39 | sing | 1.52Å | 1.54Å | |
| C37 | C38 | sing | 1.52Å | 1.51Å | |
| O12 | C11 | doub | 1.22Å | 1.18Å | |
| C39 | O40 | sing | 1.44Å | 1.44Å | |
| C22 | C23 | sing | 1.40Å | 1.39Å | Aromatic |
| C22 | C21 | sing | 1.43Å | 1.55Å | |
| C24 | C23 | doub | 1.36Å | 1.39Å | Aromatic |
| O10 | C11 | sing | 1.35Å | 1.43Å | |
| C11 | N13 | sing | 1.35Å | 1.50Å | |
| C21 | C20 | trip | 1.17Å | 1.22Å | |
| C20 | C19 | sing | 1.47Å | 1.56Å | |
| O40 | C41 | sing | 1.43Å | 1.38Å | |
| C15 | C14 | sing | 1.53Å | 1.57Å | |
| C15 | C16 | sing | 1.53Å | 1.56Å | |
| N13 | C14 | sing | 1.46Å | 1.50Å | |
| C19 | C18 | sing | 1.53Å | 1.54Å | |
| O42 | C41 | sing | 1.43Å | 1.49Å | |
| O42 | C43 | sing | 1.43Å | 1.48Å | |
| O17 | C18 | sing | 1.43Å | 1.44Å | |
| O17 | C16 | sing | 1.43Å | 1.44Å | |
| C41 | C50 | sing | 1.53Å | 1.53Å | |
| C44 | C43 | sing | 1.53Å | 1.49Å | |
| C43 | C45 | sing | 1.53Å | 1.53Å | |
| C50 | O51 | sing | 1.43Å | 1.43Å | |
| C50 | C46 | sing | 1.53Å | 1.47Å | |
| C45 | C46 | sing | 1.53Å | 1.48Å | |
| C46 | N47 | sing | 1.47Å | 1.52Å | |
| N47 | C48 | sing | 1.47Å | 1.47Å | |
| N47 | C49 | sing | 1.47Å | 1.45Å | |
| C14 | H1 | sing | 1.09Å | 1.10Å | |
| C14 | H2 | sing | 1.09Å | 1.10Å | |
| C15 | H3 | sing | 1.09Å | 1.10Å | |
| C15 | H4 | sing | 1.09Å | 1.10Å | |
| C16 | H5 | sing | 1.09Å | 1.10Å | |
| C16 | H6 | sing | 1.09Å | 1.10Å | |
| C23 | H7 | sing | 1.08Å | 1.08Å | |
| C24 | H8 | sing | 1.08Å | 1.08Å | |
| C32 | H9 | sing | 1.08Å | 1.08Å | |
| C34 | H10 | sing | 1.09Å | 1.10Å | |
| C34 | H11 | sing | 1.09Å | 1.10Å | |
| C34 | H12 | sing | 1.09Å | 1.10Å | |
| C37 | H13 | sing | 1.13Å | 1.10Å | |
| C01 | H14 | sing | 1.09Å | 1.10Å | |
| C01 | H15 | sing | 1.09Å | 1.10Å | |
| C01 | H16 | sing | 1.09Å | 1.10Å | |
| C02 | H17 | sing | 1.09Å | 1.10Å | |
| C02 | H18 | sing | 1.09Å | 1.10Å | |
| C03 | H19 | sing | 1.09Å | 1.10Å | |
| C07 | H20 | sing | 1.11Å | 1.10Å | |
| C08 | H21 | sing | 1.09Å | 1.10Å | |
| C08 | H22 | sing | 1.09Å | 1.10Å | |
| C08 | H23 | sing | 1.09Å | 1.10Å | |
| C09 | H24 | sing | 1.11Å | 1.10Å | |
| C18 | H25 | sing | 1.09Å | 1.10Å | |
| C18 | H26 | sing | 1.09Å | 1.10Å | |
| C19 | H27 | sing | 1.09Å | 1.10Å | |
| C19 | H28 | sing | 1.09Å | 1.10Å | |
| C36 | H29 | sing | 1.08Å | 1.08Å | |
| C38 | H30 | sing | 1.09Å | 1.10Å | |
| C38 | H31 | sing | 1.09Å | 1.10Å | |
| C38 | H32 | sing | 1.09Å | 1.10Å | |
| C39 | H33 | sing | 1.12Å | 1.10Å | |
| C41 | H34 | sing | 1.09Å | 1.10Å | |
| C43 | H35 | sing | 1.09Å | 1.10Å | |
| C44 | H36 | sing | 1.09Å | 1.10Å | |
| C44 | H37 | sing | 1.09Å | 1.10Å | |
| C44 | H38 | sing | 1.09Å | 1.10Å | |
| C45 | H39 | sing | 1.09Å | 1.10Å | |
| C45 | H40 | sing | 1.09Å | 1.10Å | |
| C46 | H41 | sing | 1.09Å | 1.10Å | |
| C48 | H42 | sing | 1.09Å | 1.10Å | |
| C48 | H43 | sing | 1.09Å | 1.10Å | |
| C48 | H44 | sing | 1.09Å | 1.10Å | |
| C49 | H45 | sing | 1.09Å | 1.10Å | |
| C49 | H46 | sing | 1.09Å | 1.10Å | |
| C49 | H47 | sing | 1.09Å | 1.10Å | |
| C50 | H48 | sing | 1.09Å | 1.10Å | |
| C53 | H49 | sing | 1.09Å | 1.10Å | |
| C53 | H50 | sing | 1.09Å | 1.10Å | |
| C53 | H51 | sing | 1.09Å | 1.10Å | |
| C55 | H52 | sing | 1.09Å | 1.10Å | |
| C55 | H53 | sing | 1.09Å | 1.10Å | |
| C55 | H54 | sing | 1.09Å | 1.10Å | |
| C56 | H55 | sing | 1.11Å | 1.10Å | |
| C56 | H56 | sing | 1.08Å | 1.10Å | |
| C57 | H57 | sing | 1.09Å | 1.10Å | |
| C58 | H58 | sing | 1.09Å | 1.10Å | |
| C58 | H59 | sing | 1.09Å | 1.10Å | |
| C58 | H60 | sing | 1.09Å | 1.10Å | |
| C61 | H61 | sing | 1.09Å | 1.10Å | |
| C62 | H62 | sing | 1.09Å | 1.10Å | |
| C62 | H63 | sing | 1.09Å | 1.10Å | |
| C62 | H64 | sing | 1.09Å | 1.10Å | |
| C63 | H65 | sing | 1.10Å | 1.10Å | |
| C69 | H66 | sing | 1.09Å | 1.10Å | |
| C69 | H67 | sing | 1.09Å | 1.10Å | |
| C69 | H68 | sing | 1.09Å | 1.10Å | |
| N13 | H69 | sing | 0.97Å | 1.00Å | |
| N64 | H71 | sing | 0.97Å | 1.00Å | |
| O30 | H72 | sing | 0.97Å | 0.95Å | |
| O51 | H73 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O66 | C65 | O67 | 125.2° | 122.9° |
| O66 | C65 | N64 | 125.2° | 122.9° |
| O67 | C65 | N64 | 109.5° | 114.1° |
| C65 | O67 | C68 | 106.0° | 109.0° |
| C65 | N64 | C63 | 107.0° | 108.5° |
| C65 | N64 | H71 | 126.5° | 124.7° |
| O67 | C68 | C03 | 108.9° | 108.9° |
| O67 | C68 | C63 | 105.9° | 104.0° |
| O67 | C68 | C69 | 110.5° | 109.0° |
| C01 | C02 | C03 | 113.0° | 109.4° |
| C02 | C01 | H14 | 109.5° | 109.5° |
| C02 | C01 | H15 | 109.5° | 109.4° |
| C02 | C01 | H16 | 109.5° | 109.5° |
| C01 | C02 | H17 | 108.6° | 109.5° |
| C01 | C02 | H18 | 108.6° | 109.5° |
| N64 | C63 | C68 | 105.5° | 103.9° |
| N64 | C63 | C61 | 109.9° | 110.4° |
| N64 | C63 | H65 | 110.0° | 108.4° |
| C63 | N64 | H71 | 126.5° | 126.8° |
| C02 | C03 | C68 | 107.5° | 108.7° |
| C02 | C03 | O04 | 109.5° | 109.9° |
| C03 | C02 | H17 | 108.6° | 109.4° |
| C03 | C02 | H18 | 108.6° | 109.5° |
| C02 | C03 | H19 | 110.3° | 109.4° |
| C68 | C03 | O04 | 106.7° | 109.6° |
| C03 | C68 | C63 | 109.5° | 111.0° |
| C03 | C68 | C69 | 108.5° | 110.3° |
| C68 | C03 | H19 | 110.4° | 109.3° |
| C03 | O04 | C05 | 115.4° | 119.0° |
| O04 | C03 | H19 | 112.3° | 110.0° |
| O31 | C29 | O30 | 119.7° | 120.0° |
| O31 | C29 | C28 | 118.9° | 120.0° |
| C63 | C68 | C69 | 113.4° | 113.5° |
| C68 | C63 | C61 | 115.0° | 115.0° |
| C68 | C63 | H65 | 108.4° | 109.9° |
| C68 | C69 | H66 | 109.5° | 109.5° |
| C68 | C69 | H67 | 109.5° | 109.4° |
| C68 | C69 | H68 | 109.5° | 109.4° |
| C63 | C61 | C62 | 111.8° | 108.1° |
| C63 | C61 | C59 | 107.0° | 110.5° |
| C63 | C61 | H61 | 109.9° | 110.8° |
| C61 | C63 | H65 | 108.0° | 109.0° |
| C62 | C61 | C59 | 107.2° | 108.0° |
| C62 | C61 | H61 | 110.5° | 108.2° |
| C61 | C62 | H62 | 109.5° | 109.5° |
| C61 | C62 | H63 | 109.5° | 109.5° |
| C61 | C62 | H64 | 109.4° | 109.5° |
| O06 | C05 | O04 | 120.7° | 120.9° |
| O06 | C05 | C07 | 119.5° | 119.6° |
| O60 | C59 | C61 | 118.5° | 118.6° |
| O60 | C59 | C57 | 118.6° | 119.9° |
| O30 | C29 | C28 | 121.4° | 120.0° |
| C29 | O30 | H72 | 109.5° | 117.0° |
| C29 | C28 | C32 | 118.5° | 120.6° |
| C29 | C28 | C26 | 121.3° | 120.5° |
| C61 | C59 | C57 | 122.9° | 121.5° |
| C59 | C61 | H61 | 110.3° | 111.1° |
| O04 | C05 | C07 | 119.8° | 119.5° |
| C28 | C32 | N33 | 119.3° | 122.2° |
| C32 | C28 | C26 | 120.2° | 118.9° |
| C28 | C32 | H9 | 120.4° | 118.9° |
| C32 | N33 | C34 | 118.4° | 118.6° |
| C32 | N33 | C35 | 123.5° | 122.8° |
| N33 | C32 | H9 | 120.3° | 118.9° |
| C34 | N33 | C35 | 118.1° | 118.6° |
| N33 | C34 | H10 | 109.5° | 109.5° |
| N33 | C34 | H11 | 109.5° | 109.5° |
| N33 | C34 | H12 | 109.4° | 109.5° |
| C05 | C07 | C08 | 106.9° | 111.5° |
| C05 | C07 | C09 | 110.1° | 111.0° |
| C05 | C07 | H20 | 109.5° | 106.7° |
| C59 | C57 | C58 | 110.1° | 110.1° |
| C59 | C57 | C56 | 109.8° | 111.5° |
| C59 | C57 | H57 | 108.9° | 109.4° |
| C28 | C26 | O27 | 121.9° | 121.4° |
| C28 | C26 | C25 | 117.6° | 117.2° |
| N33 | C35 | C25 | 119.4° | 120.3° |
| N33 | C35 | C36 | 120.7° | 120.5° |
| C55 | O54 | C52 | 116.4° | 114.0° |
| O54 | C55 | H52 | 109.5° | 109.5° |
| O54 | C55 | H53 | 109.5° | 109.5° |
| O54 | C55 | H54 | 109.5° | 109.5° |
| C08 | C07 | C09 | 110.7° | 112.8° |
| C08 | C07 | H20 | 109.7° | 107.3° |
| C07 | C08 | H21 | 109.5° | 109.5° |
| C07 | C08 | H22 | 109.5° | 109.5° |
| C07 | C08 | H23 | 109.5° | 109.4° |
| O54 | C52 | C56 | 109.9° | 110.5° |
| O54 | C52 | C53 | 109.7° | 105.8° |
| O54 | C52 | C39 | 109.1° | 115.4° |
| C07 | C09 | C37 | 110.0° | 115.2° |
| C07 | C09 | O10 | 109.6° | 108.5° |
| C09 | C07 | H20 | 109.8° | 107.2° |
| C07 | C09 | H24 | 109.1° | 106.9° |
| O27 | C26 | C25 | 120.5° | 121.4° |
| C26 | C25 | C35 | 120.0° | 118.6° |
| C26 | C25 | C24 | 119.8° | 121.0° |
| C25 | C35 | C36 | 119.9° | 119.2° |
| C35 | C25 | C24 | 120.2° | 120.4° |
| C35 | C36 | C22 | 119.9° | 119.8° |
| C35 | C36 | H29 | 120.0° | 120.1° |
| C58 | C57 | C56 | 110.1° | 108.1° |
| C58 | C57 | H57 | 109.2° | 108.3° |
| C57 | C58 | H58 | 109.5° | 109.4° |
| C57 | C58 | H59 | 109.5° | 109.5° |
| C57 | C58 | H60 | 109.5° | 109.4° |
| C57 | C56 | C52 | 114.1° | 111.7° |
| C57 | C56 | H55 | 108.3° | 107.2° |
| C57 | C56 | H56 | 108.3° | 110.7° |
| C56 | C57 | H57 | 108.6° | 109.3° |
| C25 | C24 | C23 | 120.1° | 120.0° |
| C25 | C24 | H8 | 120.0° | 120.0° |
| C36 | C22 | C23 | 120.7° | 120.4° |
| C36 | C22 | C21 | 118.4° | 119.8° |
| C22 | C36 | H29 | 120.1° | 120.1° |
| C37 | C09 | O10 | 108.6° | 111.6° |
| C09 | C37 | C39 | 110.4° | 112.8° |
| C09 | C37 | C38 | 109.0° | 114.1° |
| C09 | C37 | H13 | 108.3° | 105.3° |
| C37 | C09 | H24 | 108.8° | 107.7° |
| C09 | O10 | C11 | 113.1° | 117.0° |
| O10 | C09 | H24 | 110.6° | 106.5° |
| C56 | C52 | C53 | 108.8° | 106.3° |
| C56 | C52 | C39 | 108.0° | 111.6° |
| C52 | C56 | H55 | 108.3° | 107.5° |
| C52 | C56 | H56 | 108.3° | 112.4° |
| C53 | C52 | C39 | 111.3° | 106.6° |
| C52 | C53 | H49 | 109.5° | 109.5° |
| C52 | C53 | H50 | 109.5° | 109.5° |
| C52 | C53 | H51 | 109.5° | 109.5° |
| C52 | C39 | C37 | 108.1° | 120.0° |
| C52 | C39 | O40 | 108.9° | 108.8° |
| C52 | C39 | H33 | 109.1° | 106.8° |
| C39 | C37 | C38 | 112.0° | 114.1° |
| C37 | C39 | O40 | 111.3° | 108.8° |
| C39 | C37 | H13 | 108.3° | 104.2° |
| C37 | C39 | H33 | 109.0° | 106.7° |
| C38 | C37 | H13 | 108.6° | 105.1° |
| C37 | C38 | H30 | 109.5° | 109.5° |
| C37 | C38 | H31 | 109.4° | 109.5° |
| C37 | C38 | H32 | 109.5° | 109.4° |
| O12 | C11 | O10 | 120.0° | 120.0° |
| O12 | C11 | N13 | 119.8° | 120.0° |
| C39 | O40 | C41 | 116.2° | 114.0° |
| O40 | C39 | H33 | 110.4° | 104.7° |
| C23 | C22 | C21 | 120.9° | 119.8° |
| C22 | C23 | C24 | 119.3° | 120.3° |
| C22 | C23 | H7 | 120.3° | 119.9° |
| C22 | C21 | C20 | 179.1° | 180.0° |
| C24 | C23 | H7 | 120.4° | 119.9° |
| C23 | C24 | H8 | 120.0° | 120.0° |
| O10 | C11 | N13 | 120.3° | 120.0° |
| C11 | N13 | C14 | 119.6° | 120.0° |
| C11 | N13 | H69 | 120.2° | 120.0° |
| C21 | C20 | C19 | 178.2° | 180.0° |
| C20 | C19 | C18 | 109.2° | 109.5° |
| C20 | C19 | H27 | 109.5° | 109.5° |
| C20 | C19 | H28 | 109.5° | 109.5° |
| O40 | C41 | O42 | 109.2° | 109.5° |
| O40 | C41 | C50 | 108.2° | 109.5° |
| O40 | C41 | H34 | 110.3° | 109.5° |
| C14 | C15 | C16 | 112.5° | 109.5° |
| C15 | C14 | N13 | 108.4° | 109.5° |
| C15 | C14 | H1 | 109.7° | 109.5° |
| C15 | C14 | H2 | 109.7° | 109.5° |
| C14 | C15 | H3 | 108.7° | 109.4° |
| C14 | C15 | H4 | 108.7° | 109.5° |
| C15 | C16 | O17 | 105.7° | 109.5° |
| C16 | C15 | H3 | 108.7° | 109.4° |
| C16 | C15 | H4 | 108.7° | 109.5° |
| C15 | C16 | H5 | 110.4° | 109.5° |
| C15 | C16 | H6 | 110.4° | 109.4° |
| N13 | C14 | H1 | 109.8° | 109.5° |
| N13 | C14 | H2 | 109.7° | 109.5° |
| C14 | N13 | H69 | 120.2° | 120.0° |
| C19 | C18 | O17 | 106.9° | 109.5° |
| C19 | C18 | H25 | 110.1° | 109.4° |
| C19 | C18 | H26 | 110.1° | 109.5° |
| C18 | C19 | H27 | 109.5° | 109.4° |
| C18 | C19 | H28 | 109.5° | 109.5° |
| C41 | O42 | C43 | 115.1° | 114.1° |
| O42 | C41 | C50 | 112.0° | 109.4° |
| O42 | C41 | H34 | 108.8° | 109.5° |
| O42 | C43 | C44 | 107.6° | 109.5° |
| O42 | C43 | C45 | 113.5° | 109.4° |
| O42 | C43 | H35 | 109.4° | 109.5° |
| C18 | O17 | C16 | 114.0° | 114.0° |
| O17 | C18 | H25 | 110.1° | 109.5° |
| O17 | C18 | H26 | 110.1° | 109.5° |
| O17 | C16 | H5 | 110.4° | 109.5° |
| O17 | C16 | H6 | 110.4° | 109.5° |
| C41 | C50 | O51 | 109.7° | 109.5° |
| C41 | C50 | C46 | 110.6° | 109.2° |
| C50 | C41 | H34 | 108.3° | 109.5° |
| C41 | C50 | H48 | 108.7° | 109.5° |
| C44 | C43 | C45 | 108.4° | 109.5° |
| C44 | C43 | H35 | 109.2° | 109.5° |
| C43 | C44 | H36 | 109.5° | 109.5° |
| C43 | C44 | H37 | 109.4° | 109.5° |
| C43 | C44 | H38 | 109.5° | 109.5° |
| C43 | C45 | C46 | 111.0° | 109.2° |
| C45 | C43 | H35 | 108.7° | 109.5° |
| C43 | C45 | H39 | 109.1° | 109.5° |
| C43 | C45 | H40 | 109.1° | 109.5° |
| O51 | C50 | C46 | 108.5° | 109.5° |
| O51 | C50 | H48 | 109.9° | 109.5° |
| C50 | O51 | H73 | 109.5° | 114.0° |
| C50 | C46 | C45 | 109.4° | 109.0° |
| C50 | C46 | N47 | 110.0° | 109.5° |
| C50 | C46 | H41 | 109.2° | 109.6° |
| C46 | C50 | H48 | 109.4° | 109.6° |
| C45 | C46 | N47 | 110.6° | 109.6° |
| C46 | C45 | H39 | 109.1° | 109.5° |
| C46 | C45 | H40 | 109.1° | 109.5° |
| C45 | C46 | H41 | 109.0° | 109.6° |
| C46 | N47 | C48 | 111.4° | 111.0° |
| C46 | N47 | C49 | 108.9° | 111.0° |
| N47 | C46 | H41 | 108.6° | 109.6° |
| C48 | N47 | C49 | 109.3° | 111.0° |
| N47 | C48 | H42 | 109.5° | 109.5° |
| N47 | C48 | H43 | 109.5° | 109.4° |
| N47 | C48 | H44 | 109.5° | 109.5° |
| N47 | C49 | H45 | 109.5° | 109.5° |
| N47 | C49 | H46 | 109.5° | 109.5° |
| N47 | C49 | H47 | 109.5° | 109.5° |
| H1 | C14 | H2 | 109.5° | 109.5° |
| H3 | C15 | H4 | 109.4° | 109.5° |
| H5 | C16 | H6 | 109.5° | 109.5° |
| H10 | C34 | H11 | 109.5° | 109.5° |
| H10 | C34 | H12 | 109.5° | 109.5° |
| H11 | C34 | H12 | 109.5° | 109.5° |
| H14 | C01 | H15 | 109.4° | 109.4° |
| H14 | C01 | H16 | 109.5° | 109.5° |
| H15 | C01 | H16 | 109.5° | 109.5° |
| H17 | C02 | H18 | 109.4° | 109.5° |
| H21 | C08 | H22 | 109.5° | 109.5° |
| H21 | C08 | H23 | 109.4° | 109.4° |
| H22 | C08 | H23 | 109.5° | 109.5° |
| H25 | C18 | H26 | 109.5° | 109.4° |
| H27 | C19 | H28 | 109.5° | 109.5° |
| H30 | C38 | H31 | 109.5° | 109.5° |
| H30 | C38 | H32 | 109.5° | 109.5° |
| H31 | C38 | H32 | 109.5° | 109.4° |
| H36 | C44 | H37 | 109.4° | 109.4° |
| H36 | C44 | H38 | 109.5° | 109.5° |
| H37 | C44 | H38 | 109.5° | 109.5° |
| H39 | C45 | H40 | 109.5° | 109.6° |
| H42 | C48 | H43 | 109.5° | 109.4° |
| H42 | C48 | H44 | 109.5° | 109.5° |
| H43 | C48 | H44 | 109.5° | 109.5° |
| H45 | C49 | H46 | 109.4° | 109.5° |
| H45 | C49 | H47 | 109.4° | 109.4° |
| H46 | C49 | H47 | 109.5° | 109.4° |
| H49 | C53 | H50 | 109.4° | 109.5° |
| H49 | C53 | H51 | 109.5° | 109.5° |
| H50 | C53 | H51 | 109.5° | 109.4° |
| H52 | C55 | H53 | 109.5° | 109.5° |
| H52 | C55 | H54 | 109.5° | 109.5° |
| H53 | C55 | H54 | 109.5° | 109.5° |
| H55 | C56 | H56 | 109.5° | 106.9° |
| H58 | C58 | H59 | 109.5° | 109.5° |
| H58 | C58 | H60 | 109.5° | 109.5° |
| H59 | C58 | H60 | 109.5° | 109.5° |
| H62 | C62 | H63 | 109.4° | 109.4° |
| H62 | C62 | H64 | 109.5° | 109.4° |
| H63 | C62 | H64 | 109.5° | 109.4° |
| H66 | C69 | H67 | 109.5° | 109.5° |
| H66 | C69 | H68 | 109.4° | 109.5° |
| H67 | C69 | H68 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O66 | C65 | O67 | N64 | 179.3° | 179.8° |
| O66 | C65 | O67 | C68 | 166.5° | 177.0° |
| O66 | C65 | N64 | C63 | 177.7° | 178.6° |
| O66 | C65 | N64 | H71 | 2.3° | 1.1° |
| O67 | C65 | N64 | C63 | 1.6° | 1.6° |
| C65 | O67 | C68 | C03 | 94.4° | 124.1° |
| C65 | O67 | C68 | C63 | 23.3° | 5.8° |
| C65 | O67 | C68 | C69 | 146.5° | 115.5° |
| O67 | C65 | N64 | H71 | 178.4° | 178.7° |
| N64 | C65 | O67 | C68 | 14.2° | 2.9° |
| C65 | N64 | C63 | H71 | 180.0° | 179.7° |
| C65 | N64 | C63 | C68 | 15.6° | 5.0° |
| C65 | N64 | C63 | C61 | 109.0° | 128.8° |
| C65 | N64 | C63 | H65 | 132.2° | 111.8° |
| O67 | C68 | C63 | N64 | 24.6° | 6.4° |
| O67 | C68 | C03 | C02 | 48.3° | 13.7° |
| O67 | C68 | C03 | C63 | 115.4° | 113.9° |
| O67 | C68 | C03 | C69 | 120.3° | 119.5° |
| O67 | C68 | C03 | O04 | 165.7° | 133.7° |
| O67 | C68 | C63 | C69 | 121.4° | 118.3° |
| O67 | C68 | C63 | C61 | 96.7° | 127.1° |
| O67 | C68 | C03 | H19 | 72.0° | 105.6° |
| O67 | C68 | C63 | H65 | 142.4° | 109.4° |
| O67 | C68 | C69 | H66 | 180.0° | 55.5° |
| O67 | C68 | C69 | H67 | 60.0° | 64.5° |
| O67 | C68 | C69 | H68 | 60.0° | 175.5° |
| C01 | C02 | C03 | H17 | 120.5° | 120.0° |
| C01 | C02 | C03 | H18 | 120.5° | 120.0° |
| C01 | C02 | C03 | C68 | 166.5° | 64.2° |
| C01 | C02 | C03 | O04 | 77.9° | 55.6° |
| C02 | C01 | H14 | H15 | 120.0° | 119.9° |
| C02 | C01 | H14 | H16 | 120.0° | 120.1° |
| C02 | C01 | H15 | H16 | 120.0° | 120.0° |
| C01 | C02 | H17 | H18 | 118.4° | 120.1° |
| C01 | C02 | C03 | H19 | 46.1° | 176.5° |
| N64 | C63 | C68 | C03 | 92.7° | 123.2° |
| N64 | C63 | C68 | C61 | 121.3° | 120.7° |
| N64 | C63 | C68 | H65 | 117.8° | 115.8° |
| N64 | C63 | C68 | C69 | 146.0° | 111.9° |
| N64 | C63 | C61 | H65 | 120.0° | 118.9° |
| N64 | C63 | C61 | C62 | 40.3° | 55.5° |
| N64 | C63 | C61 | C59 | 76.8° | 173.5° |
| N64 | C63 | C61 | H61 | 163.4° | 62.9° |
| C02 | C03 | C68 | O04 | 117.4° | 120.1° |
| C02 | C03 | C68 | H19 | 120.3° | 119.3° |
| C02 | C03 | O04 | H19 | 122.9° | 120.5° |
| C02 | C03 | C68 | C63 | 163.7° | 127.6° |
| C02 | C03 | C68 | C69 | 72.0° | 105.8° |
| C02 | C03 | O04 | C05 | 107.7° | 77.6° |
| C03 | C02 | C01 | H14 | 180.0° | 64.7° |
| C03 | C02 | C01 | H15 | 60.0° | 175.4° |
| C03 | C02 | C01 | H16 | 60.0° | 55.4° |
| C03 | C02 | H17 | H18 | 118.4° | 120.0° |
| C68 | C03 | O04 | H19 | 121.1° | 120.2° |
| C03 | C68 | C63 | C69 | 121.3° | 124.9° |
| C03 | C68 | C63 | C61 | 146.0° | 116.0° |
| C68 | C03 | O04 | C05 | 136.3° | 163.0° |
| C68 | C03 | C02 | H17 | 72.9° | 55.7° |
| C68 | C03 | C02 | H18 | 46.0° | 175.8° |
| C03 | C68 | C63 | H65 | 25.1° | 7.5° |
| C03 | C68 | C69 | H66 | 60.7° | 63.9° |
| C03 | C68 | C69 | H67 | 59.3° | 176.0° |
| C03 | C68 | C69 | H68 | 179.3° | 56.1° |
| O04 | C03 | C68 | C63 | 78.9° | 112.4° |
| O04 | C03 | C68 | C69 | 45.4° | 14.2° |
| C03 | O04 | C05 | O06 | 10.7° | 5.0° |
| C03 | O04 | C05 | C07 | 169.0° | 175.3° |
| O04 | C03 | C02 | H17 | 42.6° | 175.6° |
| O04 | C03 | C02 | H18 | 161.5° | 64.3° |
| O31 | C29 | O30 | C28 | 179.9° | 179.9° |
| O31 | C29 | C28 | C32 | 15.6° | 0.0° |
| O31 | C29 | C28 | C26 | 163.8° | 180.0° |
| O31 | C29 | O30 | H72 | 0.0° | 0.1° |
| C68 | C63 | C61 | H65 | 121.1° | 123.9° |
| C68 | C63 | C61 | C62 | 78.5° | 172.7° |
| C68 | C63 | C61 | C59 | 164.3° | 69.3° |
| C63 | C68 | C03 | H19 | 43.4° | 8.2° |
| C68 | C63 | C61 | H61 | 44.5° | 54.2° |
| C63 | C68 | C69 | H66 | 61.2° | 170.8° |
| C63 | C68 | C69 | H67 | 178.8° | 50.8° |
| C63 | C68 | C69 | H68 | 58.8° | 69.1° |
| C68 | C63 | N64 | H71 | 164.4° | 175.3° |
| C69 | C68 | C63 | C61 | 24.7° | 8.9° |
| C69 | C68 | C03 | H19 | 167.7° | 134.9° |
| C69 | C68 | C63 | H65 | 96.2° | 132.3° |
| C68 | C69 | H66 | H67 | 120.0° | 120.0° |
| C68 | C69 | H66 | H68 | 120.0° | 120.0° |
| C68 | C69 | H67 | H68 | 120.0° | 119.9° |
| C63 | C61 | C62 | C59 | 117.0° | 119.6° |
| C63 | C61 | C62 | H61 | 122.7° | 120.1° |
| C63 | C61 | C59 | O60 | 48.6° | 2.2° |
| C63 | C61 | C59 | H61 | 119.5° | 123.4° |
| C63 | C61 | C59 | C57 | 130.8° | 177.0° |
| C63 | C61 | C62 | H62 | 180.0° | 179.6° |
| C63 | C61 | C62 | H63 | 60.0° | 60.4° |
| C63 | C61 | C62 | H64 | 60.0° | 59.6° |
| C61 | C63 | N64 | H71 | 71.0° | 51.4° |
| C62 | C61 | C59 | O60 | 71.5° | 120.3° |
| C62 | C61 | C59 | H61 | 120.3° | 118.5° |
| C62 | C61 | C59 | C57 | 109.1° | 58.9° |
| C61 | C62 | H62 | H63 | 120.0° | 120.0° |
| C61 | C62 | H62 | H64 | 120.0° | 120.1° |
| C61 | C62 | H63 | H64 | 120.0° | 120.0° |
| C62 | C61 | C63 | H65 | 160.3° | 63.4° |
| O06 | C05 | O04 | C07 | 179.7° | 179.7° |
| O06 | C05 | C07 | C08 | 46.5° | 4.6° |
| O06 | C05 | C07 | C09 | 73.9° | 122.2° |
| O06 | C05 | C07 | H20 | 165.3° | 121.4° |
| O60 | C59 | C61 | C57 | 179.4° | 179.2° |
| O60 | C59 | C57 | C58 | 125.8° | 142.6° |
| O60 | C59 | C57 | C56 | 112.7° | 22.5° |
| O60 | C59 | C57 | H57 | 6.1° | 98.5° |
| O60 | C59 | C61 | H61 | 168.1° | 121.1° |
| O30 | C29 | C28 | C32 | 164.4° | 180.0° |
| O30 | C29 | C28 | C26 | 16.1° | 0.1° |
| C29 | C28 | C32 | C26 | 179.5° | 180.0° |
| C29 | C28 | C32 | N33 | 179.7° | 179.9° |
| C29 | C28 | C26 | O27 | 0.3° | 0.0° |
| C29 | C28 | C26 | C25 | 179.7° | 179.9° |
| C29 | C28 | C32 | H9 | 0.3° | 0.0° |
| C28 | C29 | O30 | H72 | 179.9° | 180.0° |
| C61 | C59 | C57 | C58 | 54.8° | 38.2° |
| C61 | C59 | C57 | C56 | 66.6° | 158.3° |
| C61 | C59 | C57 | H57 | 174.5° | 80.7° |
| C59 | C61 | C62 | H62 | 63.0° | 60.0° |
| C59 | C61 | C62 | H63 | 177.0° | 180.0° |
| C59 | C61 | C62 | H64 | 57.1° | 60.0° |
| C59 | C61 | C63 | H65 | 43.2° | 54.6° |
| O04 | C05 | C07 | C08 | 133.2° | 175.1° |
| O04 | C05 | C07 | C09 | 106.4° | 58.2° |
| C05 | O04 | C03 | H19 | 15.2° | 42.9° |
| O04 | C05 | C07 | H20 | 14.4° | 58.3° |
| C28 | C32 | N33 | H9 | 180.0° | 179.9° |
| C28 | C32 | N33 | C34 | 179.8° | 180.0° |
| C28 | C32 | N33 | C35 | 0.0° | 0.0° |
| C32 | C28 | C26 | O27 | 179.7° | 180.0° |
| C32 | C28 | C26 | C25 | 0.2° | 0.0° |
| C32 | N33 | C34 | C35 | 179.8° | 180.0° |
| N33 | C32 | C28 | C26 | 0.2° | 0.0° |
| C32 | N33 | C35 | C25 | 0.2° | 0.1° |
| C32 | N33 | C35 | C36 | 179.9° | 179.7° |
| C32 | N33 | C34 | H10 | 180.0° | 0.0° |
| C32 | N33 | C34 | H11 | 60.0° | 120.0° |
| C32 | N33 | C34 | H12 | 60.0° | 120.0° |
| C34 | N33 | C35 | C25 | 180.0° | 180.0° |
| C34 | N33 | C35 | C36 | 0.3° | 0.2° |
| C34 | N33 | C32 | H9 | 0.2° | 0.1° |
| N33 | C34 | H10 | H11 | 120.0° | 120.0° |
| N33 | C34 | H10 | H12 | 120.0° | 120.0° |
| N33 | C34 | H11 | H12 | 120.0° | 120.0° |
| C05 | C07 | C08 | C09 | 120.0° | 125.8° |
| C05 | C07 | C08 | H20 | 118.7° | 116.4° |
| C05 | C07 | C09 | H20 | 120.7° | 116.2° |
| C05 | C07 | C09 | C37 | 64.4° | 79.6° |
| C05 | C07 | C09 | O10 | 176.3° | 46.3° |
| C05 | C07 | C08 | H21 | 180.0° | 59.9° |
| C05 | C07 | C08 | H22 | 60.0° | 180.0° |
| C05 | C07 | C08 | H23 | 60.0° | 60.0° |
| C05 | C07 | C09 | H24 | 55.0° | 160.8° |
| C59 | C57 | C58 | C56 | 121.2° | 122.0° |
| C59 | C57 | C58 | H57 | 119.5° | 119.6° |
| C59 | C57 | C56 | H57 | 118.9° | 121.1° |
| C59 | C57 | C56 | C52 | 74.6° | 77.4° |
| C59 | C57 | C56 | H55 | 46.1° | 165.0° |
| C59 | C57 | C56 | H56 | 164.7° | 48.7° |
| C59 | C57 | C58 | H58 | 180.0° | 62.1° |
| C59 | C57 | C58 | H59 | 60.0° | 58.0° |
| C59 | C57 | C58 | H60 | 60.0° | 178.0° |
| C57 | C59 | C61 | H61 | 11.3° | 59.6° |
| C28 | C26 | O27 | C25 | 180.0° | 179.9° |
| C28 | C26 | C25 | C35 | 0.0° | 0.1° |
| C28 | C26 | C25 | C24 | 179.9° | 180.0° |
| C26 | C28 | C32 | H9 | 179.8° | 180.0° |
| N33 | C35 | C25 | C26 | 0.2° | 0.1° |
| N33 | C35 | C25 | C36 | 179.7° | 179.8° |
| N33 | C35 | C25 | C24 | 179.6° | 180.0° |
| N33 | C35 | C36 | C22 | 179.8° | 179.7° |
| C35 | N33 | C32 | H9 | 180.0° | 180.0° |
| C35 | N33 | C34 | H10 | 0.2° | 180.0° |
| C35 | N33 | C34 | H11 | 120.2° | 60.0° |
| C35 | N33 | C34 | H12 | 119.8° | 60.0° |
| N33 | C35 | C36 | H29 | 0.2° | 0.2° |
| C55 | O54 | C52 | C56 | 163.3° | 172.4° |
| C55 | O54 | C52 | C53 | 43.8° | 57.8° |
| C55 | O54 | C52 | C39 | 78.4° | 59.8° |
| O54 | C55 | H52 | H53 | 120.0° | 120.0° |
| O54 | C55 | H52 | H54 | 120.0° | 120.0° |
| O54 | C55 | H53 | H54 | 120.0° | 120.0° |
| C08 | C07 | C09 | H20 | 121.3° | 117.8° |
| C08 | C07 | C09 | C37 | 177.7° | 46.4° |
| C08 | C07 | C09 | O10 | 58.3° | 172.3° |
| C07 | C08 | H21 | H22 | 120.0° | 120.0° |
| C07 | C08 | H21 | H23 | 120.0° | 119.9° |
| C07 | C08 | H22 | H23 | 120.0° | 120.0° |
| C08 | C07 | C09 | H24 | 63.0° | 73.2° |
| O54 | C52 | C56 | C57 | 60.5° | 16.0° |
| O54 | C52 | C56 | C53 | 120.1° | 114.3° |
| O54 | C52 | C56 | C39 | 119.0° | 129.9° |
| O54 | C52 | C53 | C39 | 120.9° | 123.4° |
| O54 | C52 | C39 | C37 | 51.0° | 35.3° |
| O54 | C52 | C39 | O40 | 172.1° | 161.4° |
| O54 | C52 | C39 | H33 | 67.4° | 86.0° |
| O54 | C52 | C53 | H49 | 180.0° | 57.4° |
| O54 | C52 | C53 | H50 | 60.0° | 62.5° |
| O54 | C52 | C53 | H51 | 60.0° | 177.5° |
| C52 | O54 | C55 | H52 | 180.0° | 43.9° |
| C52 | O54 | C55 | H53 | 60.0° | 76.1° |
| C52 | O54 | C55 | H54 | 60.0° | 163.9° |
| O54 | C52 | C56 | H55 | 60.1° | 133.4° |
| O54 | C52 | C56 | H56 | 178.8° | 109.1° |
| C07 | C09 | C37 | O10 | 120.0° | 124.3° |
| C07 | C09 | C37 | H24 | 119.5° | 119.2° |
| C07 | C09 | O10 | H24 | 120.4° | 114.8° |
| C07 | C09 | C37 | C39 | 166.1° | 176.0° |
| C07 | C09 | C37 | C38 | 70.4° | 43.7° |
| C07 | C09 | O10 | C11 | 113.6° | 87.3° |
| C07 | C09 | C37 | H13 | 47.6° | 71.1° |
| C09 | C07 | C08 | H21 | 60.1° | 174.3° |
| C09 | C07 | C08 | H22 | 60.0° | 54.2° |
| C09 | C07 | C08 | H23 | 180.0° | 65.8° |
| O27 | C26 | C25 | C35 | 179.9° | 180.0° |
| O27 | C26 | C25 | C24 | 0.1° | 0.1° |
| C26 | C25 | C35 | C24 | 179.8° | 179.9° |
| C26 | C25 | C35 | C36 | 179.9° | 179.7° |
| C26 | C25 | C24 | C23 | 179.8° | 179.9° |
| C26 | C25 | C24 | H8 | 0.2° | 0.1° |
| C25 | C35 | C36 | C22 | 0.1° | 0.5° |
| C35 | C25 | C24 | C23 | 0.4° | 0.1° |
| C35 | C25 | C24 | H8 | 179.6° | 180.0° |
| C25 | C35 | C36 | H29 | 179.8° | 180.0° |
| C36 | C35 | C25 | C24 | 0.1° | 0.2° |
| C35 | C36 | C22 | H29 | 180.0° | 179.5° |
| C35 | C36 | C22 | C23 | 0.0° | 0.6° |
| C35 | C36 | C22 | C21 | 180.0° | 179.7° |
| C58 | C57 | C56 | H57 | 119.6° | 117.7° |
| C58 | C57 | C56 | C52 | 164.0° | 161.4° |
| C58 | C57 | C56 | H55 | 75.4° | 43.8° |
| C58 | C57 | C56 | H56 | 43.3° | 72.5° |
| C57 | C58 | H58 | H59 | 120.0° | 120.0° |
| C57 | C58 | H58 | H60 | 120.0° | 119.9° |
| C57 | C58 | H59 | H60 | 120.0° | 119.9° |
| C57 | C56 | C52 | H55 | 120.7° | 117.4° |
| C57 | C56 | C52 | H56 | 120.7° | 125.1° |
| C57 | C56 | C52 | C53 | 59.6° | 98.3° |
| C57 | C56 | C52 | C39 | 179.5° | 145.9° |
| C57 | C56 | H55 | H56 | 117.9° | 118.8° |
| C56 | C57 | C58 | H58 | 58.8° | 60.0° |
| C56 | C57 | C58 | H59 | 61.2° | 180.0° |
| C56 | C57 | C58 | H60 | 178.8° | 60.0° |
| C25 | C24 | C23 | C22 | 0.5° | 0.0° |
| C25 | C24 | C23 | H8 | 180.0° | 180.0° |
| C25 | C24 | C23 | H7 | 179.5° | 179.9° |
| C36 | C22 | C23 | C21 | 180.0° | 179.7° |
| C36 | C22 | C23 | C24 | 0.3° | 0.3° |
| C36 | C22 | C21 | C20 | 17.7° | 53.8° |
| C36 | C22 | C23 | H7 | 179.7° | 179.8° |
| C37 | C09 | O10 | H24 | 119.4° | 117.2° |
| C09 | C37 | C39 | C52 | 120.3° | 93.8° |
| C09 | C37 | C39 | C38 | 121.7° | 132.3° |
| C09 | C37 | C39 | H13 | 118.5° | 113.6° |
| C09 | C37 | C38 | H13 | 117.9° | 114.8° |
| C09 | C37 | C39 | O40 | 120.2° | 32.3° |
| C37 | C09 | O10 | C11 | 126.2° | 144.6° |
| C37 | C09 | C07 | H20 | 56.3° | 164.3° |
| C09 | C37 | C38 | H30 | 180.0° | 76.4° |
| C09 | C37 | C38 | H31 | 60.0° | 43.7° |
| C09 | C37 | C38 | H32 | 60.0° | 163.6° |
| C09 | C37 | C39 | H33 | 1.8° | 144.8° |
| O10 | C09 | C37 | C39 | 73.9° | 51.6° |
| O10 | C09 | C37 | C38 | 49.5° | 80.7° |
| C09 | O10 | C11 | O12 | 18.4° | 5.4° |
| C09 | O10 | C11 | N13 | 161.6° | 174.5° |
| O10 | C09 | C37 | H13 | 167.6° | 164.6° |
| O10 | C09 | C07 | H20 | 63.0° | 69.8° |
| C56 | C52 | C53 | C39 | 118.8° | 119.2° |
| C56 | C52 | C39 | C37 | 68.5° | 92.0° |
| C56 | C52 | C39 | O40 | 52.6° | 34.1° |
| C56 | C52 | C39 | H33 | 173.2° | 146.7° |
| C56 | C52 | C53 | H49 | 59.7° | 60.0° |
| C56 | C52 | C53 | H50 | 60.3° | 180.0° |
| C56 | C52 | C53 | H51 | 179.7° | 60.0° |
| C52 | C56 | H55 | H56 | 117.9° | 121.0° |
| C52 | C56 | C57 | H57 | 44.3° | 43.7° |
| C53 | C52 | C39 | C37 | 172.2° | 152.4° |
| C53 | C52 | C39 | O40 | 66.7° | 81.5° |
| C53 | C52 | C39 | H33 | 53.9° | 31.1° |
| C52 | C53 | H49 | H50 | 120.0° | 120.0° |
| C52 | C53 | H49 | H51 | 120.0° | 120.0° |
| C52 | C53 | H50 | H51 | 120.0° | 120.0° |
| C53 | C52 | C56 | H55 | 179.7° | 19.1° |
| C53 | C52 | C56 | H56 | 61.1° | 136.6° |
| C52 | C39 | C37 | O40 | 119.6° | 126.1° |
| C52 | C39 | C37 | H33 | 118.5° | 121.4° |
| C52 | C39 | C37 | C38 | 118.1° | 38.5° |
| C52 | C39 | O40 | H33 | 119.7° | 113.9° |
| C52 | C39 | O40 | C41 | 131.0° | 137.6° |
| C52 | C39 | C37 | H13 | 1.8° | 152.6° |
| C39 | C52 | C53 | H49 | 59.1° | 179.2° |
| C39 | C52 | C53 | H50 | 179.1° | 60.8° |
| C39 | C52 | C53 | H51 | 60.9° | 59.1° |
| C39 | C52 | C56 | H55 | 58.9° | 96.7° |
| C39 | C52 | C56 | H56 | 59.8° | 20.8° |
| C39 | C37 | C38 | H13 | 119.7° | 113.5° |
| C37 | C39 | O40 | H33 | 121.2° | 113.8° |
| C37 | C39 | O40 | C41 | 109.9° | 90.1° |
| C39 | C37 | C09 | H24 | 46.5° | 64.9° |
| C39 | C37 | C38 | H30 | 57.5° | 55.3° |
| C39 | C37 | C38 | H31 | 62.5° | 175.4° |
| C39 | C37 | C38 | H32 | 177.5° | 64.7° |
| C38 | C37 | C39 | O40 | 1.5° | 164.7° |
| C38 | C37 | C09 | H24 | 170.0° | 162.8° |
| C37 | C38 | H30 | H31 | 120.0° | 120.0° |
| C37 | C38 | H30 | H32 | 120.0° | 120.0° |
| C37 | C38 | H31 | H32 | 120.0° | 119.9° |
| C38 | C37 | C39 | H33 | 123.5° | 82.9° |
| O12 | C11 | O10 | N13 | 180.0° | 180.0° |
| O12 | C11 | N13 | C14 | 80.0° | 5.5° |
| O12 | C11 | N13 | H69 | 99.9° | 174.4° |
| C39 | O40 | C41 | O42 | 57.0° | 65.0° |
| C39 | O40 | C41 | C50 | 179.2° | 175.1° |
| O40 | C39 | C37 | H13 | 121.3° | 81.3° |
| C39 | O40 | C41 | H34 | 62.5° | 55.0° |
| C22 | C23 | C24 | H7 | 180.0° | 179.9° |
| C23 | C22 | C21 | C20 | 162.3° | 125.9° |
| C22 | C23 | C24 | H8 | 179.5° | 179.9° |
| C23 | C22 | C36 | H29 | 180.0° | 179.9° |
| C21 | C22 | C23 | C24 | 179.7° | 180.0° |
| C22 | C21 | C20 | C19 | 58.1° | 152.5° |
| C21 | C22 | C23 | H7 | 0.3° | 0.0° |
| C21 | C22 | C36 | H29 | 0.1° | 0.2° |
| O10 | C11 | N13 | C14 | 100.0° | 174.5° |
| C11 | O10 | C09 | H24 | 6.8° | 27.4° |
| O10 | C11 | N13 | H69 | 80.0° | 5.5° |
| C11 | N13 | C14 | C15 | 88.7° | 180.0° |
| C11 | N13 | C14 | H69 | 180.0° | 180.0° |
| C11 | N13 | C14 | H1 | 151.5° | 60.0° |
| C11 | N13 | C14 | H2 | 31.1° | 60.0° |
| C21 | C20 | C19 | C18 | 22.1° | 98.4° |
| C21 | C20 | C19 | H27 | 142.1° | 141.6° |
| C21 | C20 | C19 | H28 | 97.8° | 21.6° |
| C20 | C19 | C18 | H27 | 120.0° | 120.0° |
| C20 | C19 | C18 | H28 | 120.0° | 120.1° |
| C20 | C19 | C18 | O17 | 107.1° | 180.0° |
| C20 | C19 | C18 | H25 | 12.5° | 60.0° |
| C20 | C19 | C18 | H26 | 133.2° | 59.9° |
| C20 | C19 | H27 | H28 | 120.1° | 120.0° |
| O40 | C41 | O42 | C50 | 119.9° | 120.0° |
| O40 | C41 | O42 | H34 | 120.5° | 120.0° |
| O40 | C41 | O42 | C43 | 164.8° | 178.9° |
| O40 | C41 | C50 | H34 | 119.6° | 120.0° |
| O40 | C41 | C50 | O51 | 65.5° | 62.5° |
| O40 | C41 | C50 | C46 | 174.8° | 177.6° |
| C41 | O40 | C39 | H33 | 11.3° | 23.7° |
| O40 | C41 | C50 | H48 | 54.8° | 57.7° |
| C14 | C15 | C16 | H3 | 120.5° | 120.0° |
| C14 | C15 | C16 | H4 | 120.5° | 120.1° |
| C15 | C14 | N13 | H1 | 119.8° | 120.0° |
| C15 | C14 | N13 | H2 | 119.8° | 120.0° |
| C14 | C15 | C16 | O17 | 169.7° | 180.0° |
| C15 | C14 | H1 | H2 | 120.5° | 120.0° |
| C14 | C15 | H3 | H4 | 118.6° | 120.0° |
| C14 | C15 | C16 | H5 | 50.3° | 60.0° |
| C14 | C15 | C16 | H6 | 70.9° | 60.0° |
| C15 | C14 | N13 | H69 | 91.3° | 0.0° |
| C16 | C15 | C14 | N13 | 120.8° | 180.0° |
| C15 | C16 | O17 | C18 | 126.3° | 180.0° |
| C15 | C16 | O17 | H5 | 119.4° | 120.0° |
| C15 | C16 | O17 | H6 | 119.4° | 120.0° |
| C16 | C15 | C14 | H1 | 0.9° | 60.0° |
| C16 | C15 | C14 | H2 | 119.4° | 60.0° |
| C16 | C15 | H3 | H4 | 118.6° | 120.0° |
| C15 | C16 | H5 | H6 | 121.7° | 119.9° |
| N13 | C14 | H1 | H2 | 120.5° | 120.0° |
| N13 | C14 | C15 | H3 | 0.3° | 60.0° |
| N13 | C14 | C15 | H4 | 118.8° | 60.0° |
| C19 | C18 | O17 | H25 | 119.6° | 120.0° |
| C19 | C18 | O17 | H26 | 119.6° | 120.0° |
| C19 | C18 | O17 | C16 | 157.1° | 180.0° |
| C19 | C18 | H25 | H26 | 121.1° | 120.0° |
| C18 | C19 | H27 | H28 | 120.1° | 120.0° |
| O42 | C41 | C50 | H34 | 120.0° | 120.0° |
| C41 | O42 | C43 | C44 | 163.0° | 178.9° |
| C41 | O42 | C43 | C45 | 43.2° | 61.1° |
| O42 | C41 | C50 | O51 | 174.1° | 177.5° |
| O42 | C41 | C50 | C46 | 54.4° | 57.6° |
| C41 | O42 | C43 | H35 | 78.5° | 58.8° |
| O42 | C41 | C50 | H48 | 65.6° | 62.4° |
| C43 | O42 | C41 | C50 | 44.9° | 61.2° |
| O42 | C43 | C44 | C45 | 123.1° | 119.9° |
| O42 | C43 | C44 | H35 | 118.6° | 120.0° |
| O42 | C43 | C45 | H35 | 122.0° | 119.9° |
| O42 | C43 | C45 | C46 | 50.2° | 57.6° |
| C43 | O42 | C41 | H34 | 74.7° | 58.9° |
| O42 | C43 | C44 | H36 | 180.0° | 59.9° |
| O42 | C43 | C44 | H37 | 60.0° | 60.1° |
| O42 | C43 | C44 | H38 | 60.0° | 179.9° |
| O42 | C43 | C45 | H39 | 70.0° | 62.3° |
| O42 | C43 | C45 | H40 | 170.4° | 177.5° |
| C18 | O17 | C16 | H5 | 114.3° | 60.0° |
| C18 | O17 | C16 | H6 | 6.9° | 60.1° |
| O17 | C18 | H25 | H26 | 121.2° | 120.0° |
| O17 | C18 | C19 | H27 | 132.9° | 60.0° |
| O17 | C18 | C19 | H28 | 12.8° | 60.0° |
| O17 | C16 | C15 | H3 | 69.9° | 60.0° |
| O17 | C16 | C15 | H4 | 49.2° | 60.0° |
| O17 | C16 | H5 | H6 | 121.7° | 120.0° |
| C16 | O17 | C18 | H25 | 37.5° | 60.0° |
| C16 | O17 | C18 | H26 | 83.3° | 60.0° |
| C41 | C50 | O51 | C46 | 121.0° | 119.7° |
| C41 | C50 | O51 | H48 | 119.5° | 120.2° |
| C41 | C50 | C46 | H48 | 119.6° | 120.0° |
| C41 | C50 | C46 | C45 | 62.3° | 57.0° |
| C41 | C50 | C46 | N47 | 176.0° | 176.9° |
| C41 | C50 | C46 | H41 | 56.9° | 62.9° |
| C41 | C50 | O51 | H73 | 180.0° | 60.0° |
| C44 | C43 | C45 | H35 | 118.6° | 120.1° |
| C44 | C43 | C45 | C46 | 169.6° | 177.6° |
| C43 | C44 | H36 | H37 | 120.0° | 120.0° |
| C43 | C44 | H36 | H38 | 120.0° | 120.0° |
| C43 | C44 | H37 | H38 | 120.0° | 120.0° |
| C44 | C43 | C45 | H39 | 49.4° | 57.7° |
| C44 | C43 | C45 | H40 | 70.2° | 62.5° |
| C43 | C45 | C46 | C50 | 59.9° | 57.0° |
| C43 | C45 | C46 | H39 | 120.2° | 119.9° |
| C43 | C45 | C46 | H40 | 120.2° | 119.9° |
| C43 | C45 | C46 | N47 | 178.7° | 176.8° |
| C45 | C43 | C44 | H36 | 56.9° | 60.0° |
| C45 | C43 | C44 | H37 | 63.1° | 180.0° |
| C45 | C43 | C44 | H38 | 176.9° | 60.0° |
| C43 | C45 | H39 | H40 | 119.3° | 120.2° |
| C43 | C45 | C46 | H41 | 59.5° | 62.9° |
| O51 | C50 | C46 | H48 | 119.9° | 120.1° |
| O51 | C50 | C46 | C45 | 177.3° | 176.9° |
| O51 | C50 | C46 | N47 | 55.5° | 63.2° |
| O51 | C50 | C41 | H34 | 54.1° | 57.5° |
| O51 | C50 | C46 | H41 | 63.5° | 57.0° |
| C50 | C46 | C45 | N47 | 121.4° | 119.8° |
| C50 | C46 | C45 | H41 | 119.3° | 119.9° |
| C50 | C46 | N47 | H41 | 119.4° | 120.2° |
| C50 | C46 | N47 | C48 | 70.9° | 68.2° |
| C50 | C46 | N47 | C49 | 168.5° | 167.9° |
| C46 | C50 | C41 | H34 | 65.6° | 62.4° |
| C50 | C46 | C45 | H39 | 60.3° | 62.9° |
| C50 | C46 | C45 | H40 | 179.9° | 176.9° |
| C46 | C50 | O51 | H73 | 59.0° | 179.7° |
| C45 | C46 | N47 | H41 | 119.5° | 120.2° |
| C45 | C46 | N47 | C48 | 50.1° | 51.3° |
| C45 | C46 | N47 | C49 | 70.5° | 72.6° |
| C46 | C45 | C43 | H35 | 71.8° | 62.3° |
| C46 | C45 | H39 | H40 | 119.3° | 120.1° |
| C45 | C46 | C50 | H48 | 57.4° | 63.0° |
| C46 | N47 | C48 | C49 | 120.4° | 123.9° |
| N47 | C46 | C45 | H39 | 61.0° | 56.9° |
| N47 | C46 | C45 | H40 | 58.5° | 63.3° |
| C46 | N47 | C48 | H42 | 180.0° | 60.0° |
| C46 | N47 | C48 | H43 | 60.0° | 179.9° |
| C46 | N47 | C48 | H44 | 60.0° | 60.1° |
| C46 | N47 | C49 | H45 | 180.0° | 64.6° |
| C46 | N47 | C49 | H46 | 60.0° | 175.4° |
| C46 | N47 | C49 | H47 | 60.0° | 55.4° |
| N47 | C46 | C50 | H48 | 64.4° | 56.9° |
| C48 | N47 | C46 | H41 | 169.6° | 171.6° |
| N47 | C48 | H42 | H43 | 120.0° | 119.9° |
| N47 | C48 | H42 | H44 | 120.0° | 120.1° |
| N47 | C48 | H43 | H44 | 120.0° | 120.0° |
| C48 | N47 | C49 | H45 | 58.1° | 171.5° |
| C48 | N47 | C49 | H46 | 61.9° | 51.5° |
| C48 | N47 | C49 | H47 | 178.1° | 68.5° |
| C49 | N47 | C46 | H41 | 49.0° | 47.6° |
| C49 | N47 | C48 | H42 | 59.6° | 63.9° |
| C49 | N47 | C48 | H43 | 179.6° | 56.0° |
| C49 | N47 | C48 | H44 | 60.4° | 176.0° |
| N47 | C49 | H45 | H46 | 120.0° | 120.0° |
| N47 | C49 | H45 | H47 | 120.0° | 120.0° |
| N47 | C49 | H46 | H47 | 120.0° | 120.0° |
| H1 | C14 | C15 | H3 | 119.5° | 60.0° |
| H1 | C14 | C15 | H4 | 121.4° | 180.0° |
| H1 | C14 | N13 | H69 | 28.5° | 120.0° |
| H2 | C14 | C15 | H3 | 120.1° | 180.0° |
| H2 | C14 | C15 | H4 | 1.0° | 60.1° |
| H2 | C14 | N13 | H69 | 148.9° | 120.0° |
| H3 | C15 | C16 | H5 | 170.7° | 179.9° |
| H3 | C15 | C16 | H6 | 49.6° | 60.0° |
| H4 | C15 | C16 | H5 | 70.2° | 60.1° |
| H4 | C15 | C16 | H6 | 168.6° | 180.0° |
| H7 | C23 | C24 | H8 | 0.5° | 0.0° |
| H10 | C34 | H11 | H12 | 120.0° | 120.0° |
| H13 | C37 | C09 | H24 | 71.9° | 48.1° |
| H13 | C37 | C38 | H30 | 62.1° | 168.8° |
| H13 | C37 | C38 | H31 | 177.9° | 71.1° |
| H13 | C37 | C38 | H32 | 57.9° | 48.8° |
| H13 | C37 | C39 | H33 | 116.7° | 31.2° |
| H14 | C01 | H15 | H16 | 120.0° | 120.1° |
| H14 | C01 | C02 | H17 | 59.5° | 175.4° |
| H14 | C01 | C02 | H18 | 59.5° | 55.2° |
| H15 | C01 | C02 | H17 | 60.5° | 55.4° |
| H15 | C01 | C02 | H18 | 179.5° | 64.7° |
| H16 | C01 | C02 | H17 | 179.5° | 64.6° |
| H16 | C01 | C02 | H18 | 60.5° | 175.3° |
| H17 | C02 | C03 | H19 | 166.7° | 63.5° |
| H18 | C02 | C03 | H19 | 74.4° | 56.6° |
| H20 | C07 | C08 | H21 | 61.3° | 56.5° |
| H20 | C07 | C08 | H22 | 178.6° | 63.6° |
| H20 | C07 | C08 | H23 | 58.7° | 176.4° |
| H20 | C07 | C09 | H24 | 175.7° | 44.7° |
| H21 | C08 | H22 | H23 | 120.0° | 120.0° |
| H25 | C18 | C19 | H27 | 107.5° | 180.0° |
| H25 | C18 | C19 | H28 | 132.4° | 60.1° |
| H26 | C18 | C19 | H27 | 13.3° | 60.0° |
| H26 | C18 | C19 | H28 | 106.8° | 180.0° |
| H30 | C38 | H31 | H32 | 120.0° | 120.0° |
| H34 | C41 | C50 | H48 | 174.4° | 177.7° |
| H35 | C43 | C44 | H36 | 61.4° | 179.9° |
| H35 | C43 | C44 | H37 | 178.6° | 59.9° |
| H35 | C43 | C44 | H38 | 58.6° | 60.0° |
| H35 | C43 | C45 | H39 | 168.0° | 177.7° |
| H35 | C43 | C45 | H40 | 48.4° | 57.6° |
| H36 | C44 | H37 | H38 | 120.0° | 120.0° |
| H39 | C45 | C46 | H41 | 179.7° | 177.1° |
| H40 | C45 | C46 | H41 | 60.8° | 57.0° |
| H41 | C46 | C50 | H48 | 176.6° | 177.1° |
| H42 | C48 | H43 | H44 | 120.0° | 120.0° |
| H45 | C49 | H46 | H47 | 119.9° | 119.9° |
| H48 | C50 | O51 | H73 | 60.6° | 60.2° |
| H49 | C53 | H50 | H51 | 120.0° | 120.0° |
| H52 | C55 | H53 | H54 | 120.0° | 120.0° |
| H55 | C56 | C57 | H57 | 165.0° | 73.9° |
| H56 | C56 | C57 | H57 | 76.3° | 169.8° |
| H57 | C57 | C58 | H58 | 60.5° | 178.3° |
| H57 | C57 | C58 | H59 | 179.5° | 61.6° |
| H57 | C57 | C58 | H60 | 59.5° | 58.3° |
| H58 | C58 | H59 | H60 | 120.0° | 120.1° |
| H61 | C61 | C62 | H62 | 57.3° | 60.3° |
| H61 | C61 | C62 | H63 | 62.7° | 59.7° |
| H61 | C61 | C62 | H64 | 177.3° | 179.7° |
| H61 | C61 | C63 | H65 | 76.6° | 178.2° |
| H62 | C62 | H63 | H64 | 120.0° | 119.9° |
| H65 | C63 | N64 | H71 | 47.8° | 67.9° |
| H66 | C69 | H67 | H68 | 119.9° | 120.1° |
