BY6
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| NA | C1 | sing | 1.35Å | 1.33Å | |
| NA | HNA | sing | 0.97Å | 1.00Å | |
| NA | HNAA | sing | 0.97Å | 1.00Å | |
| C2 | C1 | sing | 1.51Å | 1.63Å | |
| C2 | C3 | sing | 1.53Å | 1.55Å | |
| C2 | NB | sing | 1.47Å | 1.48Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C1 | O1 | doub | 1.21Å | 1.22Å | |
| NC | C3 | sing | 1.47Å | 1.48Å | |
| NC | C6 | sing | 1.47Å | 1.43Å | |
| NC | HNC | sing | 1.01Å | 1.00Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C3 | H3A | sing | 1.09Å | 1.10Å | |
| NB | HNB | sing | 1.01Å | 1.00Å | |
| NB | HNBA | sing | 1.01Å | 1.00Å | |
| ND | C4 | sing | 1.35Å | 1.41Å | |
| ND | HND | sing | 0.97Å | 1.00Å | |
| ND | HNDA | sing | 0.97Å | 1.00Å | |
| C5 | C4 | sing | 1.51Å | 1.54Å | |
| C5 | C6 | sing | 1.53Å | 1.57Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C5 | H5A | sing | 1.09Å | 1.10Å | |
| C4 | O4 | doub | 1.21Å | 1.21Å | |
| C8 | C9 | doub | 1.40Å | 1.41Å | Aromatic |
| C8 | NE | sing | 1.33Å | 1.43Å | Aromatic |
| C8 | NF | sing | 1.39Å | 1.33Å | |
| C9 | C10 | sing | 1.39Å | 1.48Å | Aromatic |
| C9 | CA | sing | 1.51Å | 1.50Å | |
| C10 | NG | doub | 1.33Å | 1.37Å | Aromatic |
| C10 | C12 | sing | 1.48Å | 1.51Å | |
| NG | C7 | sing | 1.32Å | 1.28Å | Aromatic |
| C7 | NE | doub | 1.32Å | 1.31Å | Aromatic |
| C7 | C6 | sing | 1.51Å | 1.48Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| NF | HNF | sing | 0.97Å | 1.00Å | |
| NF | HNFA | sing | 0.97Å | 1.00Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| CA | HAA | sing | 1.09Å | 1.10Å | |
| CA | HAB | sing | 1.09Å | 1.10Å | |
| C12 | O12 | doub | 1.21Å | 1.26Å | |
| C12 | NH | sing | 1.35Å | 1.24Å | |
| NH | C13 | sing | 1.47Å | 1.54Å | |
| NH | HNH | sing | 0.97Å | 1.00Å | |
| C13 | C30 | sing | 1.51Å | 1.49Å | |
| C13 | C14 | sing | 1.53Å | 1.67Å | |
| C13 | H13 | sing | 1.09Å | 1.10Å | |
| C30 | O30 | doub | 1.21Å | 1.26Å | |
| C30 | NK | sing | 1.35Å | 1.26Å | |
| C14 | C27 | sing | 1.51Å | 1.52Å | |
| C14 | OH1 | sing | 1.43Å | 1.42Å | |
| C14 | H14 | sing | 1.09Å | 1.10Å | |
| C27 | NJ | sing | 1.34Å | 1.35Å | Aromatic |
| C27 | C28 | doub | 1.35Å | 1.38Å | Aromatic |
| OH1 | C63 | sing | 1.43Å | 1.40Å | |
| NJ | C29 | doub | 1.31Å | 1.32Å | Aromatic |
| C28 | NI | sing | 1.37Å | 1.30Å | Aromatic |
| C28 | H28 | sing | 1.08Å | 1.08Å | |
| C29 | NI | sing | 1.35Å | 1.34Å | Aromatic |
| C29 | H29 | sing | 1.08Å | 1.08Å | |
| NI | HNI | sing | 0.97Å | 1.00Å | |
| NK | C31 | sing | 1.47Å | 1.49Å | |
| NK | HNK | sing | 0.97Å | 1.00Å | |
| C34 | C36 | sing | 1.51Å | 1.47Å | |
| C34 | C33 | sing | 1.53Å | 1.56Å | |
| C34 | CC | sing | 1.53Å | 1.62Å | |
| C34 | H34 | sing | 1.09Å | 1.10Å | |
| C36 | O36 | doub | 1.21Å | 1.20Å | |
| C36 | NL | sing | 1.35Å | 1.38Å | |
| OH2 | C33 | sing | 1.43Å | 1.43Å | |
| OH2 | HOH2 | sing | 0.97Å | 0.95Å | |
| C31 | CB | sing | 1.53Å | 1.60Å | |
| C31 | C33 | sing | 1.53Å | 1.53Å | |
| C31 | H31 | sing | 1.09Å | 1.10Å | |
| CB | HB | sing | 1.09Å | 1.10Å | |
| CB | HBA | sing | 1.09Å | 1.10Å | |
| CB | HBB | sing | 1.09Å | 1.10Å | |
| C33 | H33 | sing | 1.09Å | 1.10Å | |
| CC | HC | sing | 1.09Å | 1.10Å | |
| CC | HCA | sing | 1.09Å | 1.10Å | |
| CC | HCB | sing | 1.09Å | 1.10Å | |
| NL | C37 | sing | 1.47Å | 1.47Å | |
| NL | HNL | sing | 0.97Å | 1.00Å | |
| C37 | C40 | sing | 1.51Å | 1.57Å | |
| C37 | C38 | sing | 1.53Å | 1.68Å | |
| C37 | H37 | sing | 1.09Å | 1.10Å | |
| C40 | O40 | doub | 1.21Å | 1.20Å | |
| C40 | NM | sing | 1.35Å | 1.35Å | |
| C38 | OH3 | sing | 1.43Å | 1.31Å | |
| C38 | CD | sing | 1.53Å | 1.50Å | |
| C38 | H38 | sing | 1.09Å | 1.10Å | |
| OH3 | HOH3 | sing | 0.97Å | 0.95Å | |
| CD | HD | sing | 1.09Å | 1.10Å | |
| CD | HDA | sing | 1.09Å | 1.10Å | |
| CD | HDB | sing | 1.09Å | 1.10Å | |
| NM | C41 | sing | 1.46Å | 1.50Å | |
| NM | HNM | sing | 0.97Å | 1.00Å | |
| C42 | C43 | sing | 1.51Å | 1.58Å | |
| C42 | C41 | sing | 1.53Å | 1.52Å | |
| C42 | H42 | sing | 1.09Å | 1.10Å | |
| C42 | H42A | sing | 1.09Å | 1.10Å | |
| C49 | O49 | doub | 1.22Å | 1.25Å | |
| C49 | C48 | sing | 1.47Å | 1.50Å | |
| C49 | NP | sing | 1.35Å | 1.28Å | |
| C43 | S43 | sing | 1.71Å | 1.80Å | Aromatic |
| C43 | NN | doub | 1.29Å | 1.23Å | Aromatic |
| C41 | H41 | sing | 1.09Å | 1.10Å | |
| C41 | H41A | sing | 1.09Å | 1.10Å | |
| S43 | C44 | sing | 1.76Å | 1.75Å | Aromatic |
| C44 | C45 | doub | 1.35Å | 1.38Å | Aromatic |
| C44 | H44 | sing | 1.08Å | 1.08Å | |
| C45 | NN | sing | 1.33Å | 1.37Å | Aromatic |
| C45 | C46 | sing | 1.48Å | 1.44Å | Aromatic |
| C47 | C48 | doub | 1.35Å | 1.40Å | Aromatic |
| C47 | S46 | sing | 1.71Å | 1.72Å | Aromatic |
| C47 | H47 | sing | 1.08Å | 1.08Å | |
| C48 | NO | sing | 1.33Å | 1.40Å | Aromatic |
| NO | C46 | doub | 1.30Å | 1.36Å | Aromatic |
| C46 | S46 | sing | 1.76Å | 1.76Å | Aromatic |
| NP | HNP | sing | 0.97Å | 1.00Å | |
| O59 | C59 | sing | 1.43Å | 1.49Å | |
| O59 | HO59 | sing | 0.97Å | 0.95Å | |
| O58 | C58 | sing | 1.43Å | 1.40Å | |
| O58 | HO58 | sing | 0.97Å | 0.95Å | |
| C61 | O61 | sing | 1.43Å | 1.43Å | |
| C61 | C60 | sing | 1.53Å | 1.53Å | |
| C61 | H61 | sing | 1.09Å | 1.10Å | |
| C61 | H61A | sing | 1.09Å | 1.10Å | |
| O61 | HO61 | sing | 0.97Å | 0.95Å | |
| O56 | C57 | sing | 1.43Å | 1.49Å | |
| O56 | C64 | sing | 1.43Å | 1.38Å | |
| C60 | O62 | sing | 1.43Å | 1.47Å | |
| C60 | C59 | sing | 1.53Å | 1.60Å | |
| C60 | H60 | sing | 1.09Å | 1.10Å | |
| O62 | C63 | sing | 1.43Å | 1.56Å | |
| C63 | C57 | sing | 1.53Å | 1.50Å | |
| C63 | H63 | sing | 1.09Å | 1.10Å | |
| C57 | C58 | sing | 1.53Å | 1.51Å | |
| C57 | H57 | sing | 1.09Å | 1.10Å | |
| C58 | C59 | sing | 1.53Å | 1.58Å | |
| C58 | H58 | sing | 1.09Å | 1.10Å | |
| C59 | H59 | sing | 1.09Å | 1.10Å | |
| C69 | C68 | sing | 1.53Å | 1.59Å | |
| C69 | C64 | sing | 1.53Å | 1.54Å | |
| C69 | O69 | sing | 1.43Å | 1.50Å | |
| C69 | H69 | sing | 1.09Å | 1.10Å | |
| C68 | C67 | sing | 1.53Å | 1.56Å | |
| C68 | O68 | sing | 1.45Å | 1.47Å | |
| C68 | H68 | sing | 1.09Å | 1.10Å | |
| C67 | C65 | sing | 1.53Å | 1.58Å | |
| C67 | O67 | sing | 1.43Å | 1.42Å | |
| C67 | H67 | sing | 1.09Å | 1.10Å | |
| C65 | O64 | sing | 1.43Å | 1.54Å | |
| C65 | C66 | sing | 1.53Å | 1.53Å | |
| C65 | H65 | sing | 1.09Å | 1.10Å | |
| O64 | C64 | sing | 1.43Å | 1.44Å | |
| C64 | H64 | sing | 1.09Å | 1.10Å | |
| O68 | C70 | sing | 1.35Å | 1.39Å | |
| O67 | HO67 | sing | 0.97Å | 0.95Å | |
| O69 | HO69 | sing | 0.97Å | 0.95Å | |
| NQ | C70 | sing | 1.35Å | 1.35Å | |
| NQ | HNQ | sing | 0.97Å | 1.00Å | |
| NQ | HNQA | sing | 0.97Å | 1.00Å | |
| C70 | O70 | doub | 1.22Å | 1.24Å | |
| O66 | C66 | sing | 1.43Å | 1.46Å | |
| O66 | HO66 | sing | 0.97Å | 0.95Å | |
| C66 | H66 | sing | 1.09Å | 1.10Å | |
| C66 | H66A | sing | 1.09Å | 1.10Å | |
| NP | C50 | sing | 1.46Å | 1.47Å | |
| C50 | C52 | sing | 1.53Å | 1.54Å | |
| C52 | C53 | sing | 1.53Å | 1.55Å | |
| C53 | N18 | sing | 1.47Å | 1.55Å | |
| N18 | C54 | sing | 1.47Å | 1.54Å | |
| C54 | C55 | sing | 1.53Å | 1.54Å | |
| C55 | C56 | sing | 1.53Å | 1.54Å | |
| C56 | C571 | sing | 1.53Å | 1.54Å | |
| C571 | N19 | sing | 1.47Å | 1.54Å | |
| N19 | C581 | sing | 1.47Å | 1.54Å | |
| C581 | C591 | sing | 1.53Å | 1.54Å | |
| C591 | C601 | sing | 1.53Å | 1.54Å | |
| C601 | N20 | sing | 1.47Å | 1.54Å | |
| C50 | H50 | sing | 1.09Å | 1.10Å | |
| C50 | H50A | sing | 1.09Å | 1.10Å | |
| C52 | H75 | sing | 1.09Å | 1.10Å | |
| C52 | H76 | sing | 1.09Å | 1.10Å | |
| C53 | H77 | sing | 1.09Å | 1.10Å | |
| C53 | H78 | sing | 1.09Å | 1.10Å | |
| N18 | H79 | sing | 1.01Å | 1.00Å | |
| C54 | H80 | sing | 1.09Å | 1.10Å | |
| C54 | H81 | sing | 1.09Å | 1.10Å | |
| C55 | H82 | sing | 1.09Å | 1.10Å | |
| C55 | H83 | sing | 1.09Å | 1.10Å | |
| C56 | H84 | sing | 1.09Å | 1.10Å | |
| C56 | H85 | sing | 1.09Å | 1.10Å | |
| C571 | H86 | sing | 1.09Å | 1.10Å | |
| C571 | H87 | sing | 1.09Å | 1.10Å | |
| N19 | H88 | sing | 1.01Å | 1.00Å | |
| C581 | H89 | sing | 1.09Å | 1.10Å | |
| C581 | H90 | sing | 1.09Å | 1.10Å | |
| C591 | H91 | sing | 1.09Å | 1.10Å | |
| C591 | H92 | sing | 1.09Å | 1.10Å | |
| C601 | H93 | sing | 1.09Å | 1.10Å | |
| C601 | H94 | sing | 1.09Å | 1.10Å | |
| N20 | H95 | sing | 1.01Å | 1.00Å | |
| N20 | H96 | sing | 1.01Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | NA | HNA | 107.6° | 120.0° |
| C1 | NA | HNAA | 126.2° | 120.0° |
| NA | C1 | C2 | 122.3° | 120.0° |
| NA | C1 | O1 | 119.4° | 120.0° |
| HNA | NA | HNAA | 126.2° | 119.9° |
| C1 | C2 | C3 | 106.4° | 109.5° |
| C1 | C2 | NB | 109.6° | 109.5° |
| C1 | C2 | H2 | 111.3° | 109.5° |
| C2 | C1 | O1 | 118.3° | 120.0° |
| C3 | C2 | NB | 109.0° | 109.5° |
| C3 | C2 | H2 | 111.7° | 109.5° |
| C2 | C3 | NC | 116.8° | 109.5° |
| C2 | C3 | H3 | 107.1° | 109.5° |
| C2 | C3 | H3A | 105.5° | 109.5° |
| NB | C2 | H2 | 108.8° | 109.5° |
| C2 | NB | HNB | 109.5° | 111.0° |
| C2 | NB | HNBA | 109.5° | 111.0° |
| C3 | NC | C6 | 124.1° | 111.0° |
| C3 | NC | HNC | 104.8° | 111.0° |
| NC | C3 | H3 | 107.1° | 109.4° |
| NC | C3 | H3A | 105.4° | 109.5° |
| C6 | NC | HNC | 104.9° | 111.0° |
| NC | C6 | C5 | 115.0° | 109.5° |
| NC | C6 | C7 | 107.4° | 109.5° |
| NC | C6 | H6 | 107.5° | 109.5° |
| H3 | C3 | H3A | 115.4° | 109.5° |
| HNB | NB | HNBA | 109.4° | 111.0° |
| C4 | ND | HND | 107.3° | 120.0° |
| C4 | ND | HNDA | 126.3° | 120.0° |
| ND | C4 | C5 | 121.3° | 120.0° |
| ND | C4 | O4 | 123.5° | 120.0° |
| HND | ND | HNDA | 126.4° | 120.0° |
| C4 | C5 | C6 | 112.9° | 109.5° |
| C4 | C5 | H5 | 108.4° | 109.5° |
| C4 | C5 | H5A | 107.5° | 109.5° |
| C5 | C4 | O4 | 115.2° | 120.0° |
| C6 | C5 | H5 | 108.3° | 109.4° |
| C6 | C5 | H5A | 107.6° | 109.5° |
| C5 | C6 | C7 | 110.4° | 109.4° |
| C5 | C6 | H6 | 104.3° | 109.5° |
| H5 | C5 | H5A | 112.2° | 109.4° |
| C9 | C8 | NE | 119.9° | 119.0° |
| C9 | C8 | NF | 120.6° | 120.5° |
| C8 | C9 | C10 | 115.0° | 118.2° |
| C8 | C9 | CA | 121.3° | 120.9° |
| NE | C8 | NF | 119.5° | 120.5° |
| C8 | NE | C7 | 122.5° | 120.9° |
| C8 | NF | HNF | 109.5° | 120.0° |
| C8 | NF | HNFA | 109.5° | 120.0° |
| C10 | C9 | CA | 123.6° | 120.9° |
| C9 | C10 | NG | 115.8° | 119.0° |
| C9 | C10 | C12 | 127.5° | 120.5° |
| C9 | CA | HA | 109.5° | 109.5° |
| C9 | CA | HAA | 109.5° | 109.5° |
| C9 | CA | HAB | 109.4° | 109.4° |
| NG | C10 | C12 | 116.7° | 120.5° |
| C10 | NG | C7 | 129.2° | 121.0° |
| C10 | C12 | O12 | 120.0° | 120.0° |
| C10 | C12 | NH | 115.4° | 119.9° |
| NG | C7 | NE | 117.6° | 122.0° |
| NG | C7 | C6 | 120.1° | 119.0° |
| NE | C7 | C6 | 122.3° | 119.0° |
| C7 | C6 | H6 | 112.3° | 109.4° |
| HNF | NF | HNFA | 109.4° | 120.0° |
| HA | CA | HAA | 109.5° | 109.5° |
| HA | CA | HAB | 109.5° | 109.5° |
| HAA | CA | HAB | 109.5° | 109.5° |
| O12 | C12 | NH | 124.6° | 120.0° |
| C12 | NH | C13 | 115.2° | 120.0° |
| C12 | NH | HNH | 122.4° | 120.1° |
| C13 | NH | HNH | 122.4° | 120.0° |
| NH | C13 | C30 | 109.6° | 109.5° |
| NH | C13 | C14 | 105.4° | 109.4° |
| NH | C13 | H13 | 110.8° | 109.5° |
| C30 | C13 | C14 | 105.5° | 109.5° |
| C30 | C13 | H13 | 110.7° | 109.5° |
| C13 | C30 | O30 | 108.6° | 120.0° |
| C13 | C30 | NK | 125.1° | 120.0° |
| C14 | C13 | H13 | 114.5° | 109.5° |
| C13 | C14 | C27 | 116.2° | 109.5° |
| C13 | C14 | OH1 | 106.5° | 109.5° |
| C13 | C14 | H14 | 106.2° | 109.5° |
| O30 | C30 | NK | 126.2° | 120.0° |
| C30 | NK | C31 | 121.4° | 120.0° |
| C30 | NK | HNK | 119.3° | 120.0° |
| C27 | C14 | OH1 | 106.6° | 109.5° |
| C27 | C14 | H14 | 106.0° | 109.5° |
| C14 | C27 | NJ | 129.9° | 126.0° |
| C14 | C27 | C28 | 128.2° | 126.0° |
| OH1 | C14 | H14 | 115.8° | 109.5° |
| C14 | OH1 | C63 | 104.3° | 114.0° |
| NJ | C27 | C28 | 101.9° | 108.1° |
| C27 | NJ | C29 | 114.9° | 109.2° |
| C27 | C28 | NI | 108.5° | 106.8° |
| C27 | C28 | H28 | 125.7° | 126.6° |
| OH1 | C63 | O62 | 108.4° | 109.5° |
| OH1 | C63 | C57 | 113.3° | 109.4° |
| OH1 | C63 | H63 | 106.2° | 109.5° |
| NJ | C29 | NI | 102.3° | 108.7° |
| NJ | C29 | H29 | 128.8° | 125.6° |
| NI | C28 | H28 | 125.8° | 126.6° |
| C28 | NI | C29 | 112.3° | 107.2° |
| C28 | NI | HNI | 123.8° | 126.4° |
| NI | C29 | H29 | 128.8° | 125.7° |
| C29 | NI | HNI | 123.9° | 126.4° |
| C31 | NK | HNK | 119.3° | 120.0° |
| NK | C31 | CB | 107.2° | 109.4° |
| NK | C31 | C33 | 105.9° | 109.5° |
| NK | C31 | H31 | 114.6° | 109.5° |
| C36 | C34 | C33 | 112.7° | 109.5° |
| C36 | C34 | CC | 105.3° | 109.4° |
| C36 | C34 | H34 | 111.0° | 109.4° |
| C34 | C36 | O36 | 127.4° | 120.0° |
| C34 | C36 | NL | 114.6° | 120.0° |
| C33 | C34 | CC | 112.0° | 109.5° |
| C33 | C34 | H34 | 104.2° | 109.5° |
| C34 | C33 | OH2 | 106.8° | 109.5° |
| C34 | C33 | C31 | 115.7° | 109.5° |
| C34 | C33 | H33 | 105.8° | 109.5° |
| CC | C34 | H34 | 111.8° | 109.5° |
| C34 | CC | HC | 109.5° | 109.5° |
| C34 | CC | HCA | 109.4° | 109.4° |
| C34 | CC | HCB | 109.5° | 109.5° |
| O36 | C36 | NL | 118.0° | 120.0° |
| C36 | NL | C37 | 123.0° | 120.0° |
| C36 | NL | HNL | 118.5° | 120.0° |
| C33 | OH2 | HOH2 | 109.5° | 114.0° |
| OH2 | C33 | C31 | 104.9° | 109.5° |
| OH2 | C33 | H33 | 116.4° | 109.5° |
| CB | C31 | C33 | 113.4° | 109.5° |
| CB | C31 | H31 | 107.3° | 109.5° |
| C31 | CB | HB | 109.5° | 109.5° |
| C31 | CB | HBA | 109.5° | 109.4° |
| C31 | CB | HBB | 109.4° | 109.5° |
| C33 | C31 | H31 | 108.6° | 109.4° |
| C31 | C33 | H33 | 107.7° | 109.5° |
| HB | CB | HBA | 109.4° | 109.5° |
| HB | CB | HBB | 109.5° | 109.5° |
| HBA | CB | HBB | 109.5° | 109.4° |
| HC | CC | HCA | 109.5° | 109.5° |
| HC | CC | HCB | 109.5° | 109.5° |
| HCA | CC | HCB | 109.5° | 109.5° |
| C37 | NL | HNL | 118.5° | 120.0° |
| NL | C37 | C40 | 107.2° | 109.4° |
| NL | C37 | C38 | 107.5° | 109.5° |
| NL | C37 | H37 | 111.4° | 109.4° |
| C40 | C37 | C38 | 106.8° | 109.5° |
| C40 | C37 | H37 | 112.0° | 109.5° |
| C37 | C40 | O40 | 124.4° | 120.0° |
| C37 | C40 | NM | 108.8° | 120.0° |
| C38 | C37 | H37 | 111.7° | 109.5° |
| C37 | C38 | OH3 | 102.5° | 109.5° |
| C37 | C38 | CD | 109.8° | 109.5° |
| C37 | C38 | H38 | 116.5° | 109.4° |
| O40 | C40 | NM | 126.8° | 120.0° |
| C40 | NM | C41 | 122.3° | 120.0° |
| C40 | NM | HNM | 118.9° | 120.0° |
| OH3 | C38 | CD | 116.7° | 109.5° |
| OH3 | C38 | H38 | 109.6° | 109.5° |
| C38 | OH3 | HOH3 | 109.5° | 114.0° |
| CD | C38 | H38 | 102.3° | 109.5° |
| C38 | CD | HD | 109.5° | 109.5° |
| C38 | CD | HDA | 109.5° | 109.5° |
| C38 | CD | HDB | 109.5° | 109.5° |
| HD | CD | HDA | 109.5° | 109.4° |
| HD | CD | HDB | 109.4° | 109.5° |
| HDA | CD | HDB | 109.5° | 109.5° |
| C41 | NM | HNM | 118.9° | 120.0° |
| NM | C41 | C42 | 103.9° | 109.4° |
| NM | C41 | H41 | 111.4° | 109.5° |
| NM | C41 | H41A | 112.6° | 109.5° |
| C43 | C42 | C41 | 106.1° | 109.5° |
| C43 | C42 | H42 | 110.6° | 109.4° |
| C43 | C42 | H42A | 111.3° | 109.5° |
| C42 | C43 | S43 | 119.4° | 124.7° |
| C42 | C43 | NN | 125.5° | 124.7° |
| C41 | C42 | H42 | 110.6° | 109.5° |
| C41 | C42 | H42A | 111.3° | 109.5° |
| C42 | C41 | H41 | 111.4° | 109.5° |
| C42 | C41 | H41A | 112.6° | 109.4° |
| H42 | C42 | H42A | 106.9° | 109.5° |
| O49 | C49 | C48 | 117.5° | 120.0° |
| O49 | C49 | NP | 125.5° | 120.0° |
| C48 | C49 | NP | 117.0° | 120.0° |
| C49 | C48 | C47 | 120.7° | 122.4° |
| C49 | C48 | NO | 125.0° | 122.4° |
| C49 | NP | HNP | 111.7° | 120.0° |
| C49 | NP | C50 | 136.6° | 120.0° |
| S43 | C43 | NN | 115.0° | 110.5° |
| C43 | S43 | C44 | 89.0° | 90.5° |
| C43 | NN | C45 | 111.2° | 117.2° |
| H41 | C41 | H41A | 105.2° | 109.5° |
| S43 | C44 | C45 | 105.7° | 107.9° |
| S43 | C44 | H44 | 127.2° | 126.1° |
| C45 | C44 | H44 | 127.1° | 126.0° |
| C44 | C45 | NN | 119.1° | 114.0° |
| C44 | C45 | C46 | 122.3° | 123.1° |
| NN | C45 | C46 | 118.7° | 123.0° |
| C45 | C46 | NO | 123.2° | 125.3° |
| C45 | C46 | S46 | 117.7° | 125.4° |
| C48 | C47 | S46 | 114.2° | 109.1° |
| C48 | C47 | H47 | 122.9° | 125.5° |
| C47 | C48 | NO | 114.3° | 115.2° |
| S46 | C47 | H47 | 122.9° | 125.4° |
| C47 | S46 | C46 | 85.5° | 90.6° |
| C48 | NO | C46 | 106.8° | 115.7° |
| NO | C46 | S46 | 119.1° | 109.4° |
| HNP | NP | C50 | 111.7° | 120.0° |
| C59 | O59 | HO59 | 109.5° | 114.1° |
| O59 | C59 | C60 | 110.2° | 109.5° |
| O59 | C59 | C58 | 110.3° | 109.6° |
| O59 | C59 | H59 | 107.7° | 109.5° |
| C58 | O58 | HO58 | 109.5° | 114.0° |
| O58 | C58 | C57 | 117.9° | 109.6° |
| O58 | C58 | C59 | 111.3° | 109.6° |
| O58 | C58 | H58 | 101.0° | 109.5° |
| O61 | C61 | C60 | 106.9° | 109.5° |
| O61 | C61 | H61 | 110.4° | 109.5° |
| O61 | C61 | H61A | 110.9° | 109.5° |
| C61 | O61 | HO61 | 109.5° | 114.0° |
| C60 | C61 | H61 | 110.3° | 109.5° |
| C60 | C61 | H61A | 110.9° | 109.4° |
| C61 | C60 | O62 | 110.0° | 109.5° |
| C61 | C60 | C59 | 110.7° | 109.5° |
| C61 | C60 | H60 | 108.2° | 109.4° |
| H61 | C61 | H61A | 107.5° | 109.4° |
| C57 | O56 | C64 | 118.4° | 114.0° |
| O56 | C57 | C63 | 98.7° | 109.6° |
| O56 | C57 | C58 | 112.6° | 109.5° |
| O56 | C57 | H57 | 117.5° | 109.5° |
| O56 | C64 | C69 | 102.1° | 109.4° |
| O56 | C64 | O64 | 110.7° | 109.5° |
| O56 | C64 | H64 | 113.4° | 109.5° |
| O62 | C60 | C59 | 109.2° | 109.4° |
| O62 | C60 | H60 | 109.7° | 109.5° |
| C60 | O62 | C63 | 116.4° | 114.1° |
| C59 | C60 | H60 | 108.9° | 109.5° |
| C60 | C59 | C58 | 106.9° | 109.1° |
| C60 | C59 | H59 | 111.0° | 109.5° |
| O62 | C63 | C57 | 104.6° | 109.4° |
| O62 | C63 | H63 | 114.7° | 109.5° |
| C57 | C63 | H63 | 109.9° | 109.5° |
| C63 | C57 | C58 | 117.2° | 109.2° |
| C63 | C57 | H57 | 112.9° | 109.5° |
| C58 | C57 | H57 | 99.1° | 109.6° |
| C57 | C58 | C59 | 106.4° | 109.0° |
| C57 | C58 | H58 | 106.6° | 109.6° |
| C59 | C58 | H58 | 113.7° | 109.6° |
| C58 | C59 | H59 | 110.9° | 109.6° |
| C68 | C69 | C64 | 109.1° | 109.2° |
| C68 | C69 | O69 | 105.9° | 109.5° |
| C68 | C69 | H69 | 111.8° | 109.5° |
| C69 | C68 | C67 | 111.1° | 109.0° |
| C69 | C68 | O68 | 106.1° | 109.6° |
| C69 | C68 | H68 | 110.5° | 109.6° |
| C64 | C69 | O69 | 108.9° | 109.5° |
| C64 | C69 | H69 | 109.1° | 109.6° |
| C69 | C64 | O64 | 109.5° | 109.4° |
| C69 | C64 | H64 | 114.6° | 109.5° |
| O69 | C69 | H69 | 112.0° | 109.5° |
| C69 | O69 | HO69 | 109.5° | 114.0° |
| C67 | C68 | O68 | 108.9° | 109.5° |
| C67 | C68 | H68 | 107.7° | 109.6° |
| C68 | C67 | C65 | 102.6° | 109.1° |
| C68 | C67 | O67 | 114.2° | 109.5° |
| C68 | C67 | H67 | 110.0° | 109.6° |
| O68 | C68 | H68 | 112.6° | 109.6° |
| C68 | O68 | C70 | 118.5° | 117.0° |
| C65 | C67 | O67 | 106.5° | 109.5° |
| C65 | C67 | H67 | 117.3° | 109.5° |
| C67 | C65 | O64 | 107.6° | 109.4° |
| C67 | C65 | C66 | 111.9° | 109.5° |
| C67 | C65 | H65 | 109.2° | 109.5° |
| O67 | C67 | H67 | 106.4° | 109.6° |
| C67 | O67 | HO67 | 109.5° | 114.0° |
| O64 | C65 | C66 | 109.6° | 109.5° |
| O64 | C65 | H65 | 111.5° | 109.5° |
| C65 | O64 | C64 | 120.3° | 114.1° |
| C66 | C65 | H65 | 107.2° | 109.5° |
| C65 | C66 | O66 | 106.4° | 109.5° |
| C65 | C66 | H66 | 110.5° | 109.5° |
| C65 | C66 | H66A | 111.2° | 109.5° |
| O64 | C64 | H64 | 106.6° | 109.5° |
| O68 | C70 | NQ | 108.9° | 120.0° |
| O68 | C70 | O70 | 125.8° | 120.0° |
| C70 | NQ | HNQ | 107.9° | 119.9° |
| C70 | NQ | HNQA | 126.0° | 120.0° |
| NQ | C70 | O70 | 125.3° | 120.0° |
| HNQ | NQ | HNQA | 126.0° | 120.0° |
| C66 | O66 | HO66 | 109.5° | 114.0° |
| O66 | C66 | H66 | 110.5° | 109.5° |
| O66 | C66 | H66A | 111.2° | 109.4° |
| H66 | C66 | H66A | 107.1° | 109.5° |
| NP | C50 | C52 | 120.7° | 109.5° |
| NP | C50 | H50 | 105.9° | 109.5° |
| NP | C50 | H50A | 103.3° | 109.5° |
| C50 | C52 | C53 | 113.1° | 109.5° |
| C52 | C50 | H50 | 105.9° | 109.4° |
| C52 | C50 | H50A | 103.3° | 109.5° |
| C50 | C52 | H75 | 108.3° | 109.4° |
| C50 | C52 | H76 | 107.5° | 109.5° |
| C52 | C53 | N18 | 111.2° | 109.5° |
| C53 | C52 | H75 | 108.3° | 109.4° |
| C53 | C52 | H76 | 107.5° | 109.5° |
| C52 | C53 | H77 | 108.9° | 109.5° |
| C52 | C53 | H78 | 108.5° | 109.5° |
| C53 | N18 | C54 | 111.3° | 111.0° |
| N18 | C53 | H77 | 108.9° | 109.4° |
| N18 | C53 | H78 | 108.5° | 109.5° |
| C53 | N18 | H79 | 108.8° | 111.0° |
| N18 | C54 | C55 | 111.2° | 109.5° |
| C54 | N18 | H79 | 108.9° | 111.0° |
| N18 | C54 | H80 | 108.9° | 109.5° |
| N18 | C54 | H81 | 108.5° | 109.5° |
| C54 | C55 | C56 | 110.6° | 109.5° |
| C55 | C54 | H80 | 108.9° | 109.4° |
| C55 | C54 | H81 | 108.5° | 109.5° |
| C54 | C55 | H82 | 109.1° | 109.5° |
| C54 | C55 | H83 | 108.9° | 109.5° |
| C55 | C56 | C571 | 110.7° | 109.5° |
| C56 | C55 | H82 | 109.1° | 109.5° |
| C56 | C55 | H83 | 108.8° | 109.5° |
| C55 | C56 | H84 | 109.0° | 109.5° |
| C55 | C56 | H85 | 108.8° | 109.5° |
| C56 | C571 | N19 | 110.6° | 109.5° |
| C571 | C56 | H84 | 109.1° | 109.5° |
| C571 | C56 | H85 | 108.8° | 109.5° |
| C56 | C571 | H86 | 109.1° | 109.4° |
| C56 | C571 | H87 | 108.8° | 109.5° |
| C571 | N19 | C581 | 110.9° | 111.0° |
| N19 | C571 | H86 | 109.1° | 109.5° |
| N19 | C571 | H87 | 108.8° | 109.5° |
| C571 | N19 | H88 | 109.0° | 111.0° |
| N19 | C581 | C591 | 110.9° | 109.5° |
| C581 | N19 | H88 | 109.0° | 111.0° |
| N19 | C581 | H89 | 109.0° | 109.4° |
| N19 | C581 | H90 | 108.7° | 109.5° |
| C581 | C591 | C601 | 111.7° | 109.5° |
| C591 | C581 | H89 | 109.0° | 109.5° |
| C591 | C581 | H90 | 108.7° | 109.4° |
| C581 | C591 | H91 | 108.8° | 109.5° |
| C581 | C591 | H92 | 108.2° | 109.4° |
| C591 | C601 | N20 | 111.4° | 109.5° |
| C601 | C591 | H91 | 108.7° | 109.5° |
| C601 | C591 | H92 | 108.3° | 109.5° |
| C591 | C601 | H93 | 108.8° | 109.5° |
| C591 | C601 | H94 | 108.4° | 109.5° |
| N20 | C601 | H93 | 108.8° | 109.5° |
| N20 | C601 | H94 | 108.4° | 109.5° |
| C601 | N20 | H95 | 109.5° | 111.0° |
| C601 | N20 | H96 | 109.5° | 111.0° |
| H50 | C50 | H50A | 118.7° | 109.5° |
| H75 | C52 | H76 | 112.3° | 109.5° |
| H77 | C53 | H78 | 110.8° | 109.4° |
| H80 | C54 | H81 | 110.8° | 109.5° |
| H82 | C55 | H83 | 110.3° | 109.5° |
| H84 | C56 | H85 | 110.5° | 109.5° |
| H86 | C571 | H87 | 110.4° | 109.5° |
| H89 | C581 | H90 | 110.6° | 109.5° |
| H91 | C591 | H92 | 111.2° | 109.4° |
| H93 | C601 | H94 | 111.0° | 109.5° |
| H95 | N20 | H96 | 109.5° | 111.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | NA | HNA | HNAA | 180.0° | 179.6° |
| NA | C1 | C2 | O1 | 177.9° | 180.0° |
| NA | C1 | C2 | C3 | 159.5° | 80.0° |
| NA | C1 | C2 | NB | 41.7° | 160.0° |
| NA | C1 | C2 | H2 | 78.6° | 40.0° |
| HNA | NA | C1 | C2 | 0.0° | 0.1° |
| HNA | NA | C1 | O1 | 177.8° | 179.9° |
| HNAA | NA | C1 | C2 | 180.0° | 179.7° |
| HNAA | NA | C1 | O1 | 2.2° | 0.3° |
| C1 | C2 | C3 | NB | 118.1° | 120.0° |
| C1 | C2 | C3 | H2 | 121.6° | 120.0° |
| C1 | C2 | NB | H2 | 121.8° | 120.0° |
| C1 | C2 | C3 | NC | 60.0° | 175.0° |
| C1 | C2 | C3 | H3 | 60.0° | 55.0° |
| C1 | C2 | C3 | H3A | 176.6° | 65.0° |
| C1 | C2 | NB | HNB | 125.9° | 64.0° |
| C1 | C2 | NB | HNBA | 5.9° | 60.0° |
| C3 | C2 | NB | H2 | 122.1° | 120.0° |
| C3 | C2 | C1 | O1 | 18.4° | 100.0° |
| C2 | C3 | NC | H3 | 120.0° | 120.0° |
| C2 | C3 | NC | H3A | 116.7° | 120.0° |
| C2 | C3 | NC | C6 | 149.3° | 175.0° |
| C2 | C3 | NC | HNC | 29.3° | 61.0° |
| C2 | C3 | H3 | H3A | 117.0° | 120.0° |
| C3 | C2 | NB | HNB | 118.0° | 176.0° |
| C3 | C2 | NB | HNBA | 122.1° | 60.0° |
| NB | C2 | C1 | O1 | 136.2° | 20.0° |
| NB | C2 | C3 | NC | 58.1° | 55.0° |
| NB | C2 | C3 | H3 | 178.1° | 65.0° |
| NB | C2 | C3 | H3A | 58.5° | 175.0° |
| C2 | NB | HNB | HNBA | 120.0° | 124.0° |
| H2 | C2 | C1 | O1 | 103.5° | 140.0° |
| H2 | C2 | C3 | NC | 178.3° | 65.0° |
| H2 | C2 | C3 | H3 | 61.6° | 175.0° |
| H2 | C2 | C3 | H3A | 61.7° | 55.0° |
| H2 | C2 | NB | HNB | 4.1° | 56.0° |
| H2 | C2 | NB | HNBA | 115.9° | 180.0° |
| C3 | NC | C6 | HNC | 120.0° | 124.0° |
| NC | C3 | H3 | H3A | 117.0° | 120.0° |
| C3 | NC | C6 | C5 | 45.8° | 89.8° |
| C3 | NC | C6 | C7 | 77.5° | 150.2° |
| C3 | NC | C6 | H6 | 161.4° | 30.2° |
| C6 | NC | C3 | H3 | 90.7° | 55.0° |
| C6 | NC | C3 | H3A | 32.7° | 65.0° |
| NC | C6 | C5 | C4 | 60.6° | 178.7° |
| NC | C6 | C5 | C7 | 121.7° | 120.0° |
| NC | C6 | C5 | H6 | 117.4° | 120.1° |
| NC | C6 | C5 | H5 | 179.4° | 61.3° |
| NC | C6 | C5 | H5A | 57.9° | 58.6° |
| NC | C6 | C7 | NG | 38.8° | 135.0° |
| NC | C6 | C7 | NE | 142.4° | 45.0° |
| NC | C6 | C7 | H6 | 117.9° | 120.0° |
| HNC | NC | C3 | H3 | 149.3° | 179.0° |
| HNC | NC | C3 | H3A | 87.3° | 59.0° |
| HNC | NC | C6 | C5 | 165.8° | 34.2° |
| HNC | NC | C6 | C7 | 42.5° | 85.8° |
| HNC | NC | C6 | H6 | 78.6° | 154.2° |
| C4 | ND | HND | HNDA | 180.0° | 179.8° |
| ND | C4 | C5 | O4 | 179.6° | 180.0° |
| ND | C4 | C5 | C6 | 139.9° | 174.7° |
| ND | C4 | C5 | H5 | 100.1° | 54.7° |
| ND | C4 | C5 | H5A | 21.3° | 65.2° |
| HND | ND | C4 | C5 | 0.0° | 0.1° |
| HND | ND | C4 | O4 | 179.5° | 179.9° |
| HNDA | ND | C4 | C5 | 180.0° | 180.0° |
| HNDA | ND | C4 | O4 | 0.4° | 0.1° |
| C4 | C5 | C6 | H5 | 120.0° | 120.0° |
| C4 | C5 | C6 | H5A | 118.5° | 120.1° |
| C4 | C5 | H5 | H5A | 118.6° | 120.0° |
| C4 | C5 | C6 | C7 | 177.7° | 61.3° |
| C4 | C5 | C6 | H6 | 56.8° | 58.6° |
| C6 | C5 | H5 | H5A | 118.6° | 119.9° |
| C6 | C5 | C4 | O4 | 39.7° | 5.3° |
| C5 | C6 | C7 | NG | 164.9° | 105.0° |
| C5 | C6 | C7 | NE | 16.3° | 75.0° |
| C5 | C6 | C7 | H6 | 116.0° | 120.0° |
| H5 | C5 | C4 | O4 | 80.3° | 125.3° |
| H5 | C5 | C6 | C7 | 57.7° | 58.7° |
| H5 | C5 | C6 | H6 | 63.2° | 178.7° |
| H5A | C5 | C4 | O4 | 158.2° | 114.7° |
| H5A | C5 | C6 | C7 | 63.8° | 178.6° |
| H5A | C5 | C6 | H6 | 175.3° | 61.4° |
| C9 | C8 | NE | NF | 179.3° | 179.7° |
| C8 | C9 | C10 | CA | 179.2° | 180.0° |
| C8 | C9 | C10 | NG | 1.3° | 0.0° |
| C8 | C9 | C10 | C12 | 177.8° | 179.9° |
| C9 | C8 | NE | C7 | 0.1° | 0.0° |
| C9 | C8 | NF | HNF | 44.2° | 0.0° |
| C9 | C8 | NF | HNFA | 164.2° | 180.0° |
| C8 | C9 | CA | HA | 73.7° | 97.5° |
| C8 | C9 | CA | HAA | 166.3° | 142.5° |
| C8 | C9 | CA | HAB | 46.3° | 22.5° |
| NE | C8 | C9 | C10 | 1.0° | 0.0° |
| NE | C8 | C9 | CA | 179.8° | 180.0° |
| C8 | NE | C7 | NG | 0.9° | 0.0° |
| C8 | NE | C7 | C6 | 179.8° | 180.0° |
| NE | C8 | NF | HNF | 135.2° | 179.7° |
| NE | C8 | NF | HNFA | 15.2° | 0.3° |
| NF | C8 | C9 | C10 | 178.3° | 179.7° |
| NF | C8 | C9 | CA | 0.9° | 0.3° |
| NF | C8 | NE | C7 | 179.5° | 179.7° |
| C8 | NF | HNF | HNFA | 120.0° | 179.9° |
| C9 | C10 | NG | C12 | 179.2° | 179.9° |
| C9 | C10 | NG | C7 | 0.6° | 0.0° |
| C10 | C9 | CA | HA | 107.1° | 82.5° |
| C10 | C9 | CA | HAA | 12.9° | 37.5° |
| C10 | C9 | CA | HAB | 132.9° | 157.5° |
| C9 | C10 | C12 | O12 | 0.3° | 8.4° |
| C9 | C10 | C12 | NH | 178.1° | 171.6° |
| CA | C9 | C10 | NG | 179.5° | 180.0° |
| CA | C9 | C10 | C12 | 1.4° | 0.1° |
| C9 | CA | HA | HAA | 120.0° | 120.0° |
| C9 | CA | HA | HAB | 120.0° | 119.9° |
| C9 | CA | HAA | HAB | 120.0° | 119.9° |
| C10 | NG | C7 | NE | 0.6° | 0.0° |
| C10 | NG | C7 | C6 | 179.4° | 180.0° |
| NG | C10 | C12 | O12 | 179.4° | 171.7° |
| NG | C10 | C12 | NH | 1.0° | 8.3° |
| C12 | C10 | NG | C7 | 178.6° | 179.9° |
| C10 | C12 | O12 | NH | 178.3° | 180.0° |
| C10 | C12 | NH | C13 | 177.3° | 180.0° |
| C10 | C12 | NH | HNH | 2.7° | 0.0° |
| NG | C7 | NE | C6 | 178.8° | 180.0° |
| NG | C7 | C6 | H6 | 79.1° | 15.0° |
| NE | C7 | C6 | H6 | 99.7° | 165.0° |
| HA | CA | HAA | HAB | 120.0° | 120.0° |
| O12 | C12 | NH | C13 | 1.1° | 0.0° |
| O12 | C12 | NH | HNH | 178.9° | 180.0° |
| C12 | NH | C13 | HNH | 180.0° | 179.9° |
| C12 | NH | C13 | C30 | 95.0° | 60.0° |
| C12 | NH | C13 | C14 | 151.8° | 60.0° |
| C12 | NH | C13 | H13 | 27.4° | 180.0° |
| NH | C13 | C30 | C14 | 113.1° | 120.0° |
| NH | C13 | C30 | H13 | 122.5° | 120.0° |
| NH | C13 | C14 | H13 | 122.1° | 120.0° |
| NH | C13 | C30 | O30 | 177.9° | 58.7° |
| NH | C13 | C30 | NK | 3.0° | 121.2° |
| NH | C13 | C14 | C27 | 52.3° | 72.1° |
| NH | C13 | C14 | OH1 | 66.3° | 167.9° |
| NH | C13 | C14 | H14 | 169.8° | 48.0° |
| HNH | NH | C13 | C30 | 85.0° | 120.0° |
| HNH | NH | C13 | C14 | 28.2° | 120.0° |
| HNH | NH | C13 | H13 | 152.6° | 0.0° |
| C30 | C13 | C14 | H13 | 122.0° | 120.0° |
| C13 | C30 | O30 | NK | 179.1° | 179.9° |
| C30 | C13 | C14 | C27 | 63.7° | 167.9° |
| C30 | C13 | C14 | OH1 | 177.8° | 48.0° |
| C30 | C13 | C14 | H14 | 53.9° | 72.0° |
| C13 | C30 | NK | C31 | 177.3° | 114.1° |
| C13 | C30 | NK | HNK | 2.7° | 65.8° |
| C14 | C13 | C30 | O30 | 69.1° | 61.3° |
| C14 | C13 | C30 | NK | 110.1° | 118.8° |
| C13 | C14 | C27 | OH1 | 118.5° | 120.0° |
| C13 | C14 | C27 | H14 | 117.6° | 120.0° |
| C13 | C14 | OH1 | H14 | 117.7° | 120.0° |
| C13 | C14 | C27 | NJ | 49.5° | 30.1° |
| C13 | C14 | C27 | C28 | 130.0° | 150.3° |
| C13 | C14 | OH1 | C63 | 100.9° | 121.9° |
| H13 | C13 | C30 | O30 | 55.4° | 178.7° |
| H13 | C13 | C30 | NK | 125.5° | 1.2° |
| H13 | C13 | C14 | C27 | 174.3° | 47.9° |
| H13 | C13 | C14 | OH1 | 55.7° | 72.1° |
| H13 | C13 | C14 | H14 | 68.2° | 168.0° |
| O30 | C30 | NK | C31 | 1.7° | 65.8° |
| O30 | C30 | NK | HNK | 178.3° | 114.2° |
| C30 | NK | C31 | HNK | 180.0° | 180.0° |
| C30 | NK | C31 | CB | 109.0° | 79.7° |
| C30 | NK | C31 | C33 | 129.6° | 160.3° |
| C30 | NK | C31 | H31 | 10.0° | 40.3° |
| C27 | C14 | OH1 | H14 | 117.6° | 120.1° |
| C14 | C27 | NJ | C28 | 179.6° | 179.7° |
| C27 | C14 | OH1 | C63 | 134.4° | 118.1° |
| C14 | C27 | NJ | C29 | 179.7° | 180.0° |
| C14 | C27 | C28 | NI | 179.7° | 180.0° |
| C14 | C27 | C28 | H28 | 0.3° | 0.0° |
| OH1 | C14 | C27 | NJ | 69.0° | 150.0° |
| OH1 | C14 | C27 | C28 | 111.5° | 30.3° |
| C14 | OH1 | C63 | O62 | 67.1° | 62.0° |
| C14 | OH1 | C63 | C57 | 177.3° | 57.9° |
| C14 | OH1 | C63 | H63 | 56.6° | 178.0° |
| H14 | C14 | C27 | NJ | 167.1° | 89.9° |
| H14 | C14 | C27 | C28 | 12.4° | 89.7° |
| H14 | C14 | OH1 | C63 | 16.8° | 2.0° |
| NJ | C27 | C28 | NI | 0.1° | 0.2° |
| NJ | C27 | C28 | H28 | 179.9° | 179.7° |
| C27 | NJ | C29 | NI | 0.1° | 0.2° |
| C27 | NJ | C29 | H29 | 179.9° | 180.0° |
| C28 | C27 | NJ | C29 | 0.1° | 0.3° |
| C27 | C28 | NI | H28 | 180.0° | 180.0° |
| C27 | C28 | NI | C29 | 0.0° | 0.1° |
| C27 | C28 | NI | HNI | 180.0° | 180.0° |
| OH1 | C63 | C57 | O56 | 59.7° | 57.5° |
| OH1 | C63 | O62 | C60 | 67.9° | 58.8° |
| OH1 | C63 | O62 | C57 | 121.2° | 119.9° |
| OH1 | C63 | O62 | H63 | 118.4° | 120.0° |
| OH1 | C63 | C57 | H63 | 118.6° | 120.0° |
| OH1 | C63 | C57 | C58 | 61.3° | 62.4° |
| OH1 | C63 | C57 | H57 | 175.4° | 177.6° |
| NJ | C29 | NI | C28 | 0.1° | 0.0° |
| NJ | C29 | NI | H29 | 180.0° | 179.8° |
| NJ | C29 | NI | HNI | 180.0° | 179.8° |
| C28 | NI | C29 | HNI | 180.0° | 179.9° |
| C28 | NI | C29 | H29 | 179.9° | 179.8° |
| H28 | C28 | NI | C29 | 180.0° | 179.8° |
| H28 | C28 | NI | HNI | 0.0° | 0.0° |
| H29 | C29 | NI | HNI | 0.0° | 0.0° |
| NK | C31 | C33 | C34 | 61.9° | 55.1° |
| NK | C31 | C33 | OH2 | 179.2° | 175.1° |
| NK | C31 | CB | C33 | 116.5° | 120.0° |
| NK | C31 | CB | H31 | 123.6° | 120.0° |
| NK | C31 | C33 | H31 | 123.6° | 120.0° |
| NK | C31 | CB | HB | 140.6° | 71.5° |
| NK | C31 | CB | HBA | 99.4° | 168.5° |
| NK | C31 | CB | HBB | 20.6° | 48.5° |
| NK | C31 | C33 | H33 | 56.2° | 64.9° |
| HNK | NK | C31 | CB | 71.0° | 100.3° |
| HNK | NK | C31 | C33 | 50.4° | 19.7° |
| HNK | NK | C31 | H31 | 170.0° | 139.6° |
| C36 | C34 | C33 | CC | 118.5° | 120.0° |
| C36 | C34 | C33 | H34 | 120.5° | 120.0° |
| C36 | C34 | CC | H34 | 120.7° | 119.9° |
| C34 | C36 | O36 | NL | 178.7° | 180.0° |
| C36 | C34 | C33 | OH2 | 77.1° | 65.1° |
| C36 | C34 | C33 | C31 | 166.6° | 174.9° |
| C36 | C34 | C33 | H33 | 47.6° | 54.9° |
| C36 | C34 | CC | HC | 62.7° | 55.0° |
| C36 | C34 | CC | HCA | 57.3° | 175.0° |
| C36 | C34 | CC | HCB | 177.4° | 65.0° |
| C34 | C36 | NL | C37 | 179.2° | 174.3° |
| C34 | C36 | NL | HNL | 0.8° | 5.6° |
| C33 | C34 | CC | H34 | 116.5° | 120.1° |
| C33 | C34 | C36 | O36 | 121.3° | 4.7° |
| C33 | C34 | C36 | NL | 60.0° | 175.3° |
| C34 | C33 | OH2 | C31 | 123.3° | 120.0° |
| C34 | C33 | OH2 | H33 | 117.9° | 120.0° |
| C34 | C33 | OH2 | HOH2 | 111.4° | 55.1° |
| C34 | C33 | C31 | CB | 179.2° | 175.0° |
| C34 | C33 | C31 | H33 | 118.1° | 120.0° |
| C34 | C33 | C31 | H31 | 61.7° | 64.9° |
| C33 | C34 | CC | HC | 174.6° | 65.0° |
| C33 | C34 | CC | HCA | 65.4° | 55.0° |
| C33 | C34 | CC | HCB | 54.6° | 175.0° |
| CC | C34 | C36 | O36 | 1.1° | 124.7° |
| CC | C34 | C36 | NL | 177.7° | 55.3° |
| CC | C34 | C33 | OH2 | 41.4° | 54.9° |
| CC | C34 | C33 | C31 | 74.9° | 65.1° |
| CC | C34 | C33 | H33 | 166.0° | 174.8° |
| C34 | CC | HC | HCA | 120.0° | 119.9° |
| C34 | CC | HC | HCB | 120.0° | 120.1° |
| C34 | CC | HCA | HCB | 120.0° | 120.0° |
| H34 | C34 | C36 | O36 | 122.2° | 115.3° |
| H34 | C34 | C36 | NL | 56.5° | 64.6° |
| H34 | C34 | C33 | OH2 | 162.5° | 174.9° |
| H34 | C34 | C33 | C31 | 46.2° | 54.9° |
| H34 | C34 | C33 | H33 | 72.9° | 65.1° |
| H34 | C34 | CC | HC | 58.0° | 175.0° |
| H34 | C34 | CC | HCA | 178.0° | 65.1° |
| H34 | C34 | CC | HCB | 62.0° | 54.9° |
| O36 | C36 | NL | C37 | 1.9° | 5.7° |
| O36 | C36 | NL | HNL | 178.1° | 174.4° |
| C36 | NL | C37 | HNL | 180.0° | 179.9° |
| C36 | NL | C37 | C40 | 72.3° | 157.6° |
| C36 | NL | C37 | C38 | 173.2° | 82.4° |
| C36 | NL | C37 | H37 | 50.5° | 37.6° |
| OH2 | C33 | C31 | CB | 63.5° | 65.0° |
| OH2 | C33 | C31 | H33 | 124.6° | 120.0° |
| OH2 | C33 | C31 | H31 | 55.7° | 55.1° |
| HOH2 | OH2 | C33 | C31 | 11.8° | 64.9° |
| HOH2 | OH2 | C33 | H33 | 130.7° | 175.1° |
| CB | C31 | C33 | H31 | 119.2° | 120.1° |
| C31 | CB | HB | HBA | 120.0° | 120.0° |
| C31 | CB | HB | HBB | 120.0° | 120.0° |
| C31 | CB | HBA | HBB | 120.0° | 120.0° |
| CB | C31 | C33 | H33 | 61.1° | 55.0° |
| C33 | C31 | CB | HB | 102.9° | 168.5° |
| C33 | C31 | CB | HBA | 17.1° | 48.5° |
| C33 | C31 | CB | HBB | 137.1° | 71.4° |
| H31 | C31 | CB | HB | 17.0° | 48.5° |
| H31 | C31 | CB | HBA | 137.0° | 71.5° |
| H31 | C31 | CB | HBB | 103.0° | 168.5° |
| H31 | C31 | C33 | H33 | 179.7° | 175.1° |
| HB | CB | HBA | HBB | 120.0° | 120.0° |
| HC | CC | HCA | HCB | 120.0° | 120.1° |
| NL | C37 | C40 | C38 | 114.9° | 120.0° |
| NL | C37 | C40 | H37 | 122.5° | 120.0° |
| NL | C37 | C38 | H37 | 122.5° | 120.0° |
| NL | C37 | C40 | O40 | 35.9° | 5.6° |
| NL | C37 | C40 | NM | 143.2° | 174.5° |
| NL | C37 | C38 | OH3 | 53.4° | 64.4° |
| NL | C37 | C38 | CD | 178.2° | 55.7° |
| NL | C37 | C38 | H38 | 66.2° | 175.6° |
| HNL | NL | C37 | C40 | 107.7° | 22.5° |
| HNL | NL | C37 | C38 | 6.8° | 97.6° |
| HNL | NL | C37 | H37 | 129.5° | 142.4° |
| C40 | C37 | C38 | H37 | 122.8° | 120.0° |
| C37 | C40 | O40 | NM | 178.9° | 180.0° |
| C40 | C37 | C38 | OH3 | 168.2° | 55.6° |
| C40 | C37 | C38 | CD | 67.1° | 175.7° |
| C40 | C37 | C38 | H38 | 48.5° | 64.4° |
| C37 | C40 | NM | C41 | 179.1° | 175.0° |
| C37 | C40 | NM | HNM | 0.9° | 5.1° |
| C38 | C37 | C40 | O40 | 79.0° | 114.4° |
| C38 | C37 | C40 | NM | 101.9° | 65.6° |
| C37 | C38 | OH3 | CD | 120.1° | 120.0° |
| C37 | C38 | OH3 | H38 | 124.3° | 120.0° |
| C37 | C38 | CD | H38 | 124.3° | 120.0° |
| C37 | C38 | OH3 | HOH3 | 124.5° | 55.1° |
| C37 | C38 | CD | HD | 47.4° | 65.0° |
| C37 | C38 | CD | HDA | 72.6° | 175.1° |
| C37 | C38 | CD | HDB | 167.3° | 55.1° |
| H37 | C37 | C40 | O40 | 158.4° | 125.5° |
| H37 | C37 | C40 | NM | 20.7° | 54.5° |
| H37 | C37 | C38 | OH3 | 69.1° | 175.7° |
| H37 | C37 | C38 | CD | 55.7° | 64.3° |
| H37 | C37 | C38 | H38 | 171.3° | 55.7° |
| O40 | C40 | NM | C41 | 0.0° | 5.0° |
| O40 | C40 | NM | HNM | 180.0° | 175.0° |
| C40 | NM | C41 | HNM | 180.0° | 180.0° |
| C40 | NM | C41 | C42 | 101.8° | 180.0° |
| C40 | NM | C41 | H41 | 18.2° | 60.1° |
| C40 | NM | C41 | H41A | 136.1° | 60.0° |
| OH3 | C38 | CD | H38 | 119.6° | 120.0° |
| OH3 | C38 | CD | HD | 163.5° | 55.0° |
| OH3 | C38 | CD | HDA | 43.4° | 64.9° |
| OH3 | C38 | CD | HDB | 76.6° | 175.1° |
| CD | C38 | OH3 | HOH3 | 4.5° | 175.1° |
| C38 | CD | HD | HDA | 120.0° | 119.9° |
| C38 | CD | HD | HDB | 120.0° | 120.1° |
| C38 | CD | HDA | HDB | 120.0° | 120.1° |
| H38 | C38 | OH3 | HOH3 | 111.1° | 64.9° |
| H38 | C38 | CD | HD | 77.0° | 175.1° |
| H38 | C38 | CD | HDA | 163.0° | 55.2° |
| H38 | C38 | CD | HDB | 43.0° | 64.9° |
| HD | CD | HDA | HDB | 119.9° | 120.0° |
| NM | C41 | C42 | C43 | 176.1° | 180.0° |
| NM | C41 | C42 | H41 | 120.0° | 120.0° |
| NM | C41 | C42 | H41A | 122.1° | 120.0° |
| NM | C41 | C42 | H42 | 63.9° | 60.0° |
| NM | C41 | C42 | H42A | 54.9° | 60.0° |
| NM | C41 | H41 | H41A | 122.2° | 120.1° |
| HNM | NM | C41 | C42 | 78.2° | 0.0° |
| HNM | NM | C41 | H41 | 161.8° | 120.0° |
| HNM | NM | C41 | H41A | 43.9° | 119.9° |
| C43 | C42 | C41 | H42 | 120.0° | 120.0° |
| C43 | C42 | C41 | H42A | 121.3° | 120.0° |
| C43 | C42 | H42 | H42A | 121.4° | 120.0° |
| C42 | C43 | S43 | NN | 179.0° | 179.7° |
| C43 | C42 | C41 | H41 | 63.9° | 60.0° |
| C43 | C42 | C41 | H41A | 54.1° | 60.0° |
| C42 | C43 | S43 | C44 | 178.3° | 180.0° |
| C42 | C43 | NN | C45 | 178.4° | 179.8° |
| C41 | C42 | H42 | H42A | 121.4° | 120.0° |
| C41 | C42 | C43 | S43 | 107.8° | 90.0° |
| C41 | C42 | C43 | NN | 73.3° | 89.7° |
| C42 | C41 | H41 | H41A | 122.3° | 120.0° |
| H42 | C42 | C43 | S43 | 12.2° | 30.0° |
| H42 | C42 | C43 | NN | 166.7° | 150.3° |
| H42 | C42 | C41 | H41 | 56.1° | 60.0° |
| H42 | C42 | C41 | H41A | 174.1° | 180.0° |
| H42A | C42 | C43 | S43 | 131.0° | 150.0° |
| H42A | C42 | C43 | NN | 48.0° | 30.3° |
| H42A | C42 | C41 | H41 | 174.9° | 180.0° |
| H42A | C42 | C41 | H41A | 67.2° | 60.0° |
| O49 | C49 | C48 | NP | 179.4° | 180.0° |
| O49 | C49 | C48 | C47 | 0.4° | 0.0° |
| O49 | C49 | C48 | NO | 179.8° | 180.0° |
| O49 | C49 | NP | HNP | 147.0° | 180.0° |
| O49 | C49 | NP | C50 | 33.0° | 0.0° |
| C49 | C48 | C47 | NO | 179.4° | 180.0° |
| C49 | C48 | C47 | S46 | 179.0° | 180.0° |
| C49 | C48 | C47 | H47 | 1.0° | 0.3° |
| C49 | C48 | NO | C46 | 178.6° | 180.0° |
| C48 | C49 | NP | HNP | 33.7° | 0.1° |
| C48 | C49 | NP | C50 | 146.3° | 180.0° |
| NP | C49 | C48 | C47 | 178.9° | 180.0° |
| NP | C49 | C48 | NO | 0.4° | 0.0° |
| C49 | NP | HNP | C50 | 180.0° | 179.9° |
| C49 | NP | C50 | C52 | 56.4° | 180.0° |
| C49 | NP | C50 | H50 | 176.4° | 60.0° |
| C49 | NP | C50 | H50A | 58.1° | 60.0° |
| C43 | S43 | C44 | C45 | 0.7° | 0.0° |
| C43 | S43 | C44 | H44 | 179.3° | 180.0° |
| S43 | C43 | NN | C45 | 0.5° | 0.5° |
| NN | C43 | S43 | C44 | 0.8° | 0.3° |
| C43 | NN | C45 | C44 | 0.1° | 0.5° |
| C43 | NN | C45 | C46 | 179.4° | 179.7° |
| S43 | C44 | C45 | H44 | 180.0° | 180.0° |
| S43 | C44 | C45 | NN | 0.6° | 0.2° |
| S43 | C44 | C45 | C46 | 179.9° | 180.0° |
| C44 | C45 | NN | C46 | 179.3° | 179.8° |
| C44 | C45 | C46 | NO | 2.0° | 0.1° |
| C44 | C45 | C46 | S46 | 178.3° | 180.0° |
| H44 | C44 | C45 | NN | 179.4° | 179.7° |
| H44 | C44 | C45 | C46 | 0.1° | 0.1° |
| NN | C45 | C46 | NO | 177.3° | 179.7° |
| NN | C45 | C46 | S46 | 2.4° | 0.2° |
| C45 | C46 | S46 | C47 | 179.1° | 180.0° |
| C45 | C46 | NO | C48 | 178.8° | 180.0° |
| C45 | C46 | NO | S46 | 179.7° | 180.0° |
| C48 | C47 | S46 | H47 | 180.0° | 179.7° |
| C47 | C48 | NO | C46 | 0.8° | 0.0° |
| C48 | C47 | S46 | C46 | 0.1° | 0.0° |
| S46 | C47 | C48 | NO | 0.4° | 0.0° |
| C47 | S46 | C46 | NO | 0.6° | 0.0° |
| H47 | C47 | C48 | NO | 179.6° | 179.7° |
| H47 | C47 | S46 | C46 | 179.9° | 179.7° |
| C48 | NO | C46 | S46 | 0.9° | 0.0° |
| HNP | NP | C50 | C52 | 123.6° | 0.0° |
| HNP | NP | C50 | H50 | 3.6° | 119.9° |
| HNP | NP | C50 | H50A | 121.9° | 120.1° |
| O59 | C59 | C58 | O58 | 170.3° | 177.2° |
| O59 | C59 | C60 | C61 | 60.5° | 57.7° |
| O59 | C59 | C60 | O62 | 60.8° | 62.3° |
| O59 | C59 | C60 | C58 | 119.8° | 119.9° |
| O59 | C59 | C60 | H59 | 119.1° | 120.1° |
| O59 | C59 | C60 | H60 | 179.3° | 177.7° |
| O59 | C59 | C58 | C57 | 60.1° | 62.9° |
| O59 | C59 | C58 | H59 | 119.2° | 120.2° |
| O59 | C59 | C58 | H58 | 56.9° | 57.0° |
| HO59 | O59 | C59 | C60 | 172.7° | 60.0° |
| HO59 | O59 | C59 | C58 | 69.5° | 179.6° |
| HO59 | O59 | C59 | H59 | 51.6° | 60.1° |
| O58 | C58 | C57 | O56 | 51.5° | 57.0° |
| O58 | C58 | C59 | C60 | 70.0° | 62.9° |
| O58 | C58 | C57 | C63 | 61.9° | 62.9° |
| O58 | C58 | C57 | C59 | 125.8° | 119.9° |
| O58 | C58 | C57 | H58 | 112.6° | 120.2° |
| O58 | C58 | C57 | H57 | 176.5° | 177.2° |
| O58 | C58 | C59 | H58 | 113.4° | 120.2° |
| O58 | C58 | C59 | H59 | 51.1° | 57.0° |
| HO58 | O58 | C58 | C57 | 53.8° | 170.7° |
| HO58 | O58 | C58 | C59 | 69.6° | 69.7° |
| HO58 | O58 | C58 | H58 | 169.3° | 50.5° |
| O61 | C61 | C60 | H61 | 120.0° | 120.0° |
| O61 | C61 | C60 | H61A | 121.0° | 120.0° |
| O61 | C61 | H61 | H61A | 121.1° | 120.0° |
| O61 | C61 | C60 | O62 | 63.0° | 67.7° |
| O61 | C61 | C60 | C59 | 176.2° | 172.3° |
| O61 | C61 | C60 | H60 | 56.8° | 52.3° |
| C60 | C61 | H61 | H61A | 121.0° | 119.9° |
| C60 | C61 | O61 | HO61 | 97.7° | 180.0° |
| C61 | C60 | O62 | C59 | 121.7° | 120.0° |
| C61 | C60 | O62 | H60 | 118.9° | 120.0° |
| C61 | C60 | C59 | H60 | 118.9° | 120.0° |
| C61 | C60 | O62 | C63 | 179.7° | 178.8° |
| C61 | C60 | C59 | C58 | 179.7° | 177.6° |
| C61 | C60 | C59 | H59 | 58.7° | 62.4° |
| H61 | C61 | O61 | HO61 | 142.3° | 60.0° |
| H61 | C61 | C60 | O62 | 177.0° | 172.3° |
| H61 | C61 | C60 | C59 | 56.2° | 52.3° |
| H61 | C61 | C60 | H60 | 63.2° | 67.7° |
| H61A | C61 | O61 | HO61 | 23.3° | 60.0° |
| H61A | C61 | C60 | O62 | 58.0° | 52.3° |
| H61A | C61 | C60 | C59 | 62.8° | 67.6° |
| H61A | C61 | C60 | H60 | 177.9° | 172.3° |
| O56 | C57 | C63 | O62 | 177.6° | 177.5° |
| O56 | C57 | C63 | C58 | 121.0° | 119.9° |
| O56 | C57 | C63 | H57 | 124.8° | 120.1° |
| O56 | C57 | C63 | H63 | 58.9° | 62.5° |
| O56 | C57 | C58 | H57 | 124.9° | 120.1° |
| O56 | C57 | C58 | C59 | 177.3° | 176.9° |
| O56 | C57 | C58 | H58 | 61.0° | 63.1° |
| C57 | O56 | C64 | C69 | 163.3° | 164.8° |
| C57 | O56 | C64 | O64 | 80.2° | 75.3° |
| C57 | O56 | C64 | H64 | 39.5° | 44.8° |
| C64 | O56 | C57 | C63 | 126.9° | 85.4° |
| C64 | O56 | C57 | C58 | 108.8° | 154.8° |
| C64 | O56 | C57 | H57 | 5.4° | 34.7° |
| O56 | C64 | C69 | C68 | 67.5° | 62.4° |
| O56 | C64 | C69 | O64 | 117.3° | 120.0° |
| O56 | C64 | C69 | H64 | 123.0° | 120.0° |
| O56 | C64 | C69 | O69 | 177.3° | 177.7° |
| O56 | C64 | C69 | H69 | 54.9° | 57.5° |
| O56 | C64 | O64 | C65 | 60.4° | 58.8° |
| O56 | C64 | O64 | H64 | 123.8° | 120.1° |
| O62 | C60 | C59 | H60 | 119.8° | 120.0° |
| C60 | O62 | C63 | C57 | 53.2° | 61.1° |
| C60 | O62 | C63 | H63 | 173.6° | 178.8° |
| O62 | C60 | C59 | C58 | 59.0° | 57.6° |
| O62 | C60 | C59 | H59 | 179.9° | 177.6° |
| C59 | C60 | O62 | C63 | 57.9° | 61.2° |
| C60 | C59 | C58 | C57 | 59.7° | 57.0° |
| C60 | C59 | C58 | H59 | 121.1° | 119.9° |
| C60 | C59 | C58 | H58 | 176.7° | 176.9° |
| H60 | C60 | O62 | C63 | 61.4° | 58.9° |
| H60 | C60 | C59 | C58 | 60.8° | 62.4° |
| H60 | C60 | C59 | H59 | 60.2° | 57.6° |
| O62 | C63 | C57 | H63 | 123.6° | 120.0° |
| O62 | C63 | C57 | C58 | 56.5° | 57.6° |
| O62 | C63 | C57 | H57 | 57.6° | 62.4° |
| C63 | C57 | C58 | H57 | 121.7° | 119.9° |
| C63 | C57 | C58 | C59 | 63.9° | 57.0° |
| C63 | C57 | C58 | H58 | 174.4° | 176.9° |
| H63 | C63 | C57 | C58 | 179.9° | 177.6° |
| H63 | C63 | C57 | H57 | 66.0° | 57.6° |
| C57 | C58 | C59 | H58 | 117.0° | 119.9° |
| C57 | C58 | C59 | H59 | 179.2° | 176.9° |
| H57 | C57 | C58 | C59 | 57.8° | 62.9° |
| H57 | C57 | C58 | H58 | 63.9° | 57.0° |
| H58 | C58 | C59 | H59 | 62.2° | 63.2° |
| C68 | C69 | C64 | O69 | 115.1° | 119.9° |
| C68 | C69 | C64 | H69 | 122.4° | 119.9° |
| C68 | C69 | O69 | H69 | 122.2° | 120.1° |
| C69 | C68 | C67 | O68 | 116.5° | 119.9° |
| C69 | C68 | C67 | H68 | 121.1° | 119.9° |
| C69 | C68 | O68 | H68 | 121.0° | 120.3° |
| C69 | C68 | C67 | C65 | 66.7° | 57.0° |
| C69 | C68 | C67 | O67 | 178.5° | 176.8° |
| C69 | C68 | C67 | H67 | 59.0° | 62.9° |
| C68 | C69 | C64 | O64 | 49.8° | 57.6° |
| C68 | C69 | C64 | H64 | 169.4° | 177.6° |
| C69 | C68 | O68 | C70 | 85.3° | 84.5° |
| C68 | C69 | O69 | HO69 | 122.5° | 180.0° |
| C64 | C69 | O69 | H69 | 120.7° | 120.2° |
| C64 | C69 | C68 | C67 | 62.9° | 57.0° |
| C64 | C69 | C68 | O68 | 178.9° | 176.8° |
| C64 | C69 | C68 | H68 | 56.6° | 62.9° |
| C69 | C64 | O64 | C65 | 51.4° | 61.2° |
| C69 | C64 | O64 | H64 | 124.4° | 120.0° |
| C64 | C69 | O69 | HO69 | 120.4° | 60.3° |
| O69 | C69 | C68 | C67 | 54.1° | 62.9° |
| O69 | C69 | C68 | O68 | 64.1° | 56.9° |
| O69 | C69 | C68 | H68 | 173.6° | 177.2° |
| O69 | C69 | C64 | O64 | 65.3° | 62.3° |
| O69 | C69 | C64 | H64 | 54.3° | 57.7° |
| H69 | C69 | C68 | C67 | 176.4° | 176.9° |
| H69 | C69 | C68 | O68 | 58.1° | 63.2° |
| H69 | C69 | C68 | H68 | 64.1° | 57.0° |
| H69 | C69 | C64 | O64 | 172.2° | 177.5° |
| H69 | C69 | C64 | H64 | 68.2° | 62.5° |
| H69 | C69 | O69 | HO69 | 0.3° | 59.9° |
| C67 | C68 | O68 | H68 | 119.4° | 120.2° |
| C68 | C67 | C65 | O67 | 120.3° | 119.9° |
| C68 | C67 | C65 | H67 | 120.7° | 119.9° |
| C68 | C67 | O67 | H67 | 121.6° | 120.3° |
| C68 | C67 | C65 | O64 | 59.5° | 57.6° |
| C68 | C67 | C65 | C66 | 179.9° | 177.6° |
| C68 | C67 | C65 | H65 | 61.7° | 62.4° |
| C67 | C68 | O68 | C70 | 155.1° | 156.0° |
| C68 | C67 | O67 | HO67 | 127.8° | 174.9° |
| O68 | C68 | C67 | C65 | 176.8° | 176.9° |
| O68 | C68 | C67 | O67 | 61.9° | 63.3° |
| O68 | C68 | C67 | H67 | 57.6° | 57.0° |
| C68 | O68 | C70 | NQ | 179.3° | 174.7° |
| C68 | O68 | C70 | O70 | 0.1° | 5.3° |
| H68 | C68 | C67 | C65 | 54.5° | 62.9° |
| H68 | C68 | C67 | O67 | 60.4° | 56.9° |
| H68 | C68 | C67 | H67 | 179.9° | 177.2° |
| H68 | C68 | O68 | C70 | 35.7° | 35.8° |
| C65 | C67 | O67 | H67 | 125.9° | 120.1° |
| C67 | C65 | O64 | C66 | 121.9° | 120.0° |
| C67 | C65 | O64 | H65 | 119.7° | 119.9° |
| C67 | C65 | C66 | H65 | 119.6° | 120.0° |
| C67 | C65 | O64 | C64 | 57.9° | 61.2° |
| C65 | C67 | O67 | HO67 | 15.2° | 65.5° |
| C67 | C65 | C66 | O66 | 179.4° | 175.0° |
| C67 | C65 | C66 | H66 | 59.4° | 55.0° |
| C67 | C65 | C66 | H66A | 59.4° | 65.0° |
| O67 | C67 | C65 | O64 | 179.8° | 177.5° |
| O67 | C67 | C65 | C66 | 59.8° | 62.5° |
| O67 | C67 | C65 | H65 | 58.7° | 57.5° |
| H67 | C67 | C65 | O64 | 61.2° | 62.3° |
| H67 | C67 | C65 | C66 | 59.2° | 57.7° |
| H67 | C67 | C65 | H65 | 177.6° | 177.7° |
| H67 | C67 | O67 | HO67 | 110.7° | 54.7° |
| O64 | C65 | C66 | H65 | 121.1° | 120.1° |
| C65 | O64 | C64 | H64 | 175.9° | 178.8° |
| O64 | C65 | C66 | O66 | 61.4° | 65.1° |
| O64 | C65 | C66 | H66 | 178.6° | 174.9° |
| O64 | C65 | C66 | H66A | 59.8° | 54.9° |
| C66 | C65 | O64 | C64 | 179.8° | 178.9° |
| C65 | C66 | O66 | H66 | 120.0° | 120.0° |
| C65 | C66 | O66 | H66A | 121.2° | 120.0° |
| C65 | C66 | O66 | HO66 | 22.7° | 180.0° |
| C65 | C66 | H66 | H66A | 121.2° | 120.0° |
| H65 | C65 | O64 | C64 | 61.8° | 58.8° |
| H65 | C65 | C66 | O66 | 59.7° | 55.0° |
| H65 | C65 | C66 | H66 | 60.3° | 65.0° |
| H65 | C65 | C66 | H66A | 179.1° | 175.0° |
| O68 | C70 | NQ | O70 | 179.2° | 179.9° |
| O68 | C70 | NQ | HNQ | 180.0° | 5.1° |
| O68 | C70 | NQ | HNQA | 0.0° | 175.0° |
| C70 | NQ | HNQ | HNQA | 180.0° | 179.9° |
| HNQ | NQ | C70 | O70 | 0.8° | 175.0° |
| HNQA | NQ | C70 | O70 | 179.2° | 4.9° |
| O66 | C66 | H66 | H66A | 121.2° | 120.0° |
| HO66 | O66 | C66 | H66 | 142.7° | 60.0° |
| HO66 | O66 | C66 | H66A | 98.5° | 60.0° |
| NP | C50 | C52 | H50 | 120.0° | 120.0° |
| NP | C50 | C52 | H50A | 114.5° | 120.0° |
| NP | C50 | C52 | C53 | 63.7° | 180.0° |
| NP | C50 | H50 | H50A | 115.4° | 120.0° |
| NP | C50 | C52 | H75 | 176.2° | 60.0° |
| NP | C50 | C52 | H76 | 54.7° | 60.0° |
| C50 | C52 | C53 | H75 | 120.0° | 120.0° |
| C50 | C52 | C53 | H76 | 118.4° | 120.1° |
| C50 | C52 | C53 | N18 | 180.0° | 180.0° |
| C52 | C50 | H50 | H50A | 115.4° | 120.0° |
| C50 | C52 | H75 | H76 | 118.5° | 120.0° |
| C50 | C52 | C53 | H77 | 60.0° | 60.0° |
| C50 | C52 | C53 | H78 | 60.7° | 60.0° |
| C52 | C53 | N18 | H77 | 120.0° | 120.0° |
| C52 | C53 | N18 | H78 | 119.3° | 120.1° |
| C52 | C53 | N18 | C54 | 180.0° | 180.0° |
| C53 | C52 | C50 | H50 | 56.3° | 60.0° |
| C53 | C52 | C50 | H50A | 178.2° | 59.9° |
| C53 | C52 | H75 | H76 | 118.5° | 120.0° |
| C52 | C53 | H77 | H78 | 119.3° | 120.0° |
| C52 | C53 | N18 | H79 | 60.0° | 56.1° |
| C53 | N18 | C54 | H79 | 120.0° | 123.9° |
| C53 | N18 | C54 | C55 | 180.0° | 180.0° |
| N18 | C53 | C52 | H75 | 59.9° | 60.0° |
| N18 | C53 | C52 | H76 | 61.6° | 59.9° |
| N18 | C53 | H77 | H78 | 119.3° | 120.0° |
| C53 | N18 | C54 | H80 | 60.0° | 60.1° |
| C53 | N18 | C54 | H81 | 60.7° | 60.0° |
| N18 | C54 | C55 | H80 | 120.0° | 119.9° |
| N18 | C54 | C55 | H81 | 119.3° | 120.0° |
| N18 | C54 | C55 | C56 | 180.0° | 180.0° |
| C54 | N18 | C53 | H77 | 60.0° | 60.0° |
| C54 | N18 | C53 | H78 | 60.7° | 59.9° |
| N18 | C54 | H80 | H81 | 119.3° | 120.1° |
| N18 | C54 | C55 | H82 | 60.0° | 60.0° |
| N18 | C54 | C55 | H83 | 60.5° | 60.0° |
| C54 | C55 | C56 | H82 | 120.0° | 120.0° |
| C54 | C55 | C56 | H83 | 119.6° | 120.0° |
| C54 | C55 | C56 | C571 | 180.0° | 180.0° |
| C55 | C54 | N18 | H79 | 60.0° | 56.1° |
| C55 | C54 | H80 | H81 | 119.3° | 120.0° |
| C54 | C55 | H82 | H83 | 119.6° | 120.0° |
| C54 | C55 | C56 | H84 | 60.0° | 60.0° |
| C54 | C55 | C56 | H85 | 60.5° | 60.0° |
| C55 | C56 | C571 | H84 | 120.0° | 120.0° |
| C55 | C56 | C571 | H85 | 119.5° | 120.0° |
| C55 | C56 | C571 | N19 | 180.0° | 180.0° |
| C56 | C55 | C54 | H80 | 60.0° | 60.1° |
| C56 | C55 | C54 | H81 | 60.7° | 60.0° |
| C56 | C55 | H82 | H83 | 119.5° | 120.0° |
| C55 | C56 | H84 | H85 | 119.5° | 120.0° |
| C55 | C56 | C571 | H86 | 60.0° | 60.1° |
| C55 | C56 | C571 | H87 | 60.5° | 60.0° |
| C56 | C571 | N19 | H86 | 120.0° | 119.9° |
| C56 | C571 | N19 | H87 | 119.5° | 120.0° |
| C56 | C571 | N19 | C581 | 180.0° | 180.0° |
| C571 | C56 | C55 | H82 | 60.0° | 60.0° |
| C571 | C56 | C55 | H83 | 60.4° | 60.0° |
| C571 | C56 | H84 | H85 | 119.5° | 120.0° |
| C56 | C571 | H86 | H87 | 119.5° | 120.0° |
| C56 | C571 | N19 | H88 | 60.0° | 56.1° |
| C571 | N19 | C581 | H88 | 120.0° | 124.0° |
| C571 | N19 | C581 | C591 | 180.0° | 180.0° |
| N19 | C571 | C56 | H84 | 60.0° | 60.0° |
| N19 | C571 | C56 | H85 | 60.5° | 60.0° |
| N19 | C571 | H86 | H87 | 119.5° | 120.1° |
| C571 | N19 | C581 | H89 | 60.0° | 60.1° |
| C571 | N19 | C581 | H90 | 60.6° | 59.9° |
| N19 | C581 | C591 | H89 | 120.0° | 120.0° |
| N19 | C581 | C591 | H90 | 119.4° | 120.1° |
| N19 | C581 | C591 | C601 | 180.0° | 180.0° |
| C581 | N19 | C571 | H86 | 60.0° | 60.1° |
| C581 | N19 | C571 | H87 | 60.5° | 60.0° |
| N19 | C581 | H89 | H90 | 119.4° | 120.0° |
| N19 | C581 | C591 | H91 | 60.0° | 59.9° |
| N19 | C581 | C591 | H92 | 60.9° | 60.0° |
| C581 | C591 | C601 | H91 | 120.0° | 120.1° |
| C581 | C591 | C601 | H92 | 119.1° | 120.0° |
| C581 | C591 | C601 | N20 | 180.0° | 180.0° |
| C591 | C581 | N19 | H88 | 60.1° | 56.0° |
| C591 | C581 | H89 | H90 | 119.4° | 120.0° |
| C581 | C591 | H91 | H92 | 119.1° | 120.0° |
| C581 | C591 | C601 | H93 | 60.0° | 60.0° |
| C581 | C591 | C601 | H94 | 60.8° | 60.0° |
| C591 | C601 | N20 | H93 | 120.0° | 120.0° |
| C591 | C601 | N20 | H94 | 119.2° | 120.0° |
| C601 | C591 | C581 | H89 | 60.0° | 60.0° |
| C601 | C591 | C581 | H90 | 60.6° | 60.0° |
| C601 | C591 | H91 | H92 | 119.1° | 120.0° |
| C591 | C601 | H93 | H94 | 119.2° | 120.0° |
| C591 | C601 | N20 | H95 | 57.6° | 56.1° |
| C591 | C601 | N20 | H96 | 177.6° | 180.0° |
| N20 | C601 | C591 | H91 | 60.0° | 60.0° |
| N20 | C601 | C591 | H92 | 61.0° | 60.0° |
| N20 | C601 | H93 | H94 | 119.2° | 120.0° |
| C601 | N20 | H95 | H96 | 120.0° | 124.0° |
| H50 | C50 | C52 | H75 | 63.7° | 180.0° |
| H50 | C50 | C52 | H76 | 174.7° | 60.0° |
| H50A | C50 | C52 | H75 | 61.8° | 60.0° |
| H50A | C50 | C52 | H76 | 59.8° | 180.0° |
| H75 | C52 | C53 | H77 | 179.9° | 180.0° |
| H75 | C52 | C53 | H78 | 59.3° | 60.0° |
| H76 | C52 | C53 | H77 | 58.4° | 60.0° |
| H76 | C52 | C53 | H78 | 179.1° | 180.0° |
| H77 | C53 | N18 | H79 | 180.0° | 176.1° |
| H78 | C53 | N18 | H79 | 59.3° | 64.0° |
| H79 | N18 | C54 | H80 | 180.0° | 176.0° |
| H79 | N18 | C54 | H81 | 59.3° | 64.0° |
| H80 | C54 | C55 | H82 | 180.0° | 180.0° |
| H80 | C54 | C55 | H83 | 59.5° | 60.0° |
| H81 | C54 | C55 | H82 | 59.3° | 60.0° |
| H81 | C54 | C55 | H83 | 179.8° | 180.0° |
| H82 | C55 | C56 | H84 | 180.0° | NaN° |
| H82 | C55 | C56 | H85 | 59.5° | 60.0° |
| H83 | C55 | C56 | H84 | 59.6° | 60.0° |
| H83 | C55 | C56 | H85 | 179.9° | 180.0° |
| H84 | C56 | C571 | H86 | 180.0° | 180.0° |
| H84 | C56 | C571 | H87 | 59.5° | 60.0° |
| H85 | C56 | C571 | H86 | 59.5° | 60.0° |
| H85 | C56 | C571 | H87 | 180.0° | 180.0° |
| H86 | C571 | N19 | H88 | 180.0° | 176.0° |
| H87 | C571 | N19 | H88 | 59.5° | 64.0° |
| H88 | N19 | C581 | H89 | 180.0° | 176.0° |
| H88 | N19 | C581 | H90 | 59.3° | 64.0° |
| H89 | C581 | C591 | H91 | 180.0° | 179.9° |
| H89 | C581 | C591 | H92 | 59.1° | 60.0° |
| H90 | C581 | C591 | H91 | 59.4° | 60.1° |
| H90 | C581 | C591 | H92 | 179.7° | 180.0° |
| H91 | C591 | C601 | H93 | 180.0° | 179.9° |
| H91 | C591 | C601 | H94 | 59.3° | 60.0° |
| H92 | C591 | C601 | H93 | 59.0° | 60.0° |
| H92 | C591 | C601 | H94 | 179.8° | 180.0° |
| H93 | C601 | N20 | H95 | 62.4° | 63.9° |
| H93 | C601 | N20 | H96 | 57.6° | 60.0° |
| H94 | C601 | N20 | H95 | 176.8° | 176.0° |
| H94 | C601 | N20 | H96 | 63.2° | 60.0° |
