BLB
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| NA | C1 | sing | 1.35Å | 1.29Å | |
| NA | HA2 | sing | 0.97Å | 1.02Å | |
| NA | HA1 | sing | 0.97Å | 1.02Å | |
| C2 | C1 | sing | 1.51Å | 1.53Å | |
| C2 | C3 | sing | 1.53Å | 1.53Å | |
| C2 | NB | sing | 1.47Å | 1.46Å | |
| C2 | H2 | sing | 1.09Å | 1.12Å | |
| C1 | O1 | doub | 1.21Å | 1.17Å | |
| NC | C3 | sing | 1.47Å | 1.47Å | |
| NC | C6 | sing | 1.47Å | 1.46Å | |
| NC | HNC | sing | 1.01Å | 1.02Å | |
| C3 | H3E | sing | 1.09Å | 1.11Å | |
| C3 | H3X | sing | 1.09Å | 1.12Å | |
| NB | HB1 | sing | 1.01Å | 1.02Å | |
| NB | HB2 | sing | 1.01Å | 1.02Å | |
| ND | C4 | sing | 1.35Å | 1.32Å | |
| ND | HD2 | sing | 0.97Å | 1.02Å | |
| ND | HD1 | sing | 0.97Å | 1.02Å | |
| C5 | C4 | sing | 1.51Å | 1.53Å | |
| C5 | C6 | sing | 1.53Å | 1.53Å | |
| C5 | H5E | sing | 1.09Å | 1.11Å | |
| C5 | H5X | sing | 1.09Å | 1.12Å | |
| C4 | O4 | doub | 1.21Å | 1.21Å | |
| C8 | C9 | doub | 1.40Å | 1.39Å | Aromatic |
| C8 | NE | sing | 1.33Å | 1.33Å | Aromatic |
| C8 | NF | sing | 1.38Å | 1.35Å | |
| C9 | C10 | sing | 1.39Å | 1.39Å | Aromatic |
| C9 | CA | sing | 1.51Å | 1.51Å | |
| C10 | NG | doub | 1.33Å | 1.32Å | Aromatic |
| C10 | C12 | sing | 1.48Å | 1.46Å | |
| NG | C7 | sing | 1.32Å | 1.32Å | Aromatic |
| C7 | NE | doub | 1.32Å | 1.33Å | Aromatic |
| C7 | C6 | sing | 1.51Å | 1.50Å | |
| C6 | H6 | sing | 1.09Å | 1.11Å | |
| NF | HF2 | sing | 0.97Å | 1.02Å | |
| NF | HF1 | sing | 0.97Å | 1.02Å | |
| CA | HAA | sing | 1.09Å | 1.11Å | |
| CA | HAB | sing | 1.09Å | 1.11Å | |
| CA | HAC | sing | 1.09Å | 1.12Å | |
| C12 | O12 | doub | 1.21Å | 1.21Å | |
| C12 | NH | sing | 1.35Å | 1.35Å | |
| NH | C13 | sing | 1.46Å | 1.47Å | |
| NH | HNH | sing | 0.97Å | 1.02Å | |
| C13 | C30 | sing | 1.51Å | 1.52Å | |
| C13 | C14 | sing | 1.53Å | 1.51Å | |
| C13 | H13 | sing | 1.09Å | 1.12Å | |
| C30 | O30 | doub | 1.21Å | 1.23Å | |
| C30 | NK | sing | 1.35Å | 1.32Å | |
| C14 | C27 | sing | 1.51Å | 1.49Å | |
| C14 | OH1 | sing | 1.43Å | 1.40Å | |
| C14 | H14 | sing | 1.09Å | 1.11Å | |
| C27 | NJ | sing | 1.34Å | 1.33Å | Aromatic |
| C27 | C28 | doub | 1.35Å | 1.38Å | Aromatic |
| OH1 | C63 | sing | 1.43Å | 1.40Å | |
| NJ | C29 | doub | 1.31Å | 1.34Å | Aromatic |
| C28 | NI | sing | 1.37Å | 1.35Å | Aromatic |
| C28 | H28 | sing | 1.08Å | 1.10Å | |
| C29 | NI | sing | 1.35Å | 1.35Å | Aromatic |
| C29 | H29 | sing | 1.08Å | 1.10Å | |
| NI | HNI | sing | 0.97Å | 1.02Å | |
| NK | C31 | sing | 1.47Å | 1.43Å | |
| NK | HNK | sing | 0.97Å | 1.02Å | |
| C34 | C36 | sing | 1.51Å | 1.52Å | |
| C34 | C33 | sing | 1.53Å | 1.53Å | |
| C34 | CC | sing | 1.53Å | 1.53Å | |
| C34 | H34 | sing | 1.09Å | 1.12Å | |
| C36 | O36 | doub | 1.21Å | 1.22Å | |
| C36 | NL | sing | 1.35Å | 1.35Å | |
| OH2 | C33 | sing | 1.43Å | 1.40Å | |
| OH2 | HO2 | sing | 0.97Å | 0.95Å | |
| C31 | CB | sing | 1.53Å | 1.52Å | |
| C31 | C33 | sing | 1.53Å | 1.51Å | |
| C31 | H31 | sing | 1.09Å | 1.11Å | |
| CB | HBA | sing | 1.09Å | 1.11Å | |
| CB | HBB | sing | 1.09Å | 1.12Å | |
| CB | HBC | sing | 1.09Å | 1.11Å | |
| C33 | H33 | sing | 1.09Å | 1.12Å | |
| CC | HCB | sing | 1.09Å | 1.11Å | |
| CC | HCC | sing | 1.09Å | 1.12Å | |
| CC | HCA | sing | 1.09Å | 1.11Å | |
| NL | C37 | sing | 1.47Å | 1.45Å | |
| NL | HNL | sing | 0.97Å | 1.02Å | |
| C37 | C40 | sing | 1.51Å | 1.54Å | |
| C37 | C38 | sing | 1.53Å | 1.54Å | |
| C37 | H37 | sing | 1.09Å | 1.11Å | |
| C40 | O40 | doub | 1.21Å | 1.22Å | |
| C40 | NM | sing | 1.35Å | 1.34Å | |
| C38 | OH3 | sing | 1.43Å | 1.41Å | |
| C38 | CD | sing | 1.53Å | 1.53Å | |
| C38 | H38 | sing | 1.09Å | 1.11Å | |
| OH3 | HO3 | sing | 0.97Å | 0.95Å | |
| CD | HDB | sing | 1.09Å | 1.12Å | |
| CD | HDC | sing | 1.09Å | 1.11Å | |
| CD | HDA | sing | 1.09Å | 1.11Å | |
| NM | C41 | sing | 1.47Å | 1.45Å | |
| NM | HNM | sing | 0.97Å | 1.02Å | |
| C42 | C43 | sing | 1.51Å | 1.51Å | |
| C42 | C41 | sing | 1.53Å | 1.53Å | |
| C42 | H2E | sing | 1.09Å | 1.11Å | |
| C42 | H2X | sing | 1.09Å | 1.11Å | |
| C49 | O49 | doub | 1.22Å | 1.22Å | |
| C49 | C48 | sing | 1.47Å | 1.38Å | |
| C49 | NP | sing | 1.35Å | 1.34Å | |
| C43 | S43 | sing | 1.74Å | 1.71Å | Aromatic |
| C43 | NN | doub | 1.31Å | 1.34Å | Aromatic |
| C41 | H1E | sing | 1.09Å | 1.11Å | |
| C41 | H1X | sing | 1.09Å | 1.12Å | |
| S43 | C44 | sing | 1.79Å | 1.70Å | Aromatic |
| C44 | C45 | doub | 1.37Å | 1.40Å | Aromatic |
| C44 | H44 | sing | 1.08Å | 1.10Å | |
| C45 | NN | sing | 1.33Å | 1.35Å | Aromatic |
| C45 | C46 | sing | 1.48Å | 1.41Å | Aromatic |
| C47 | C48 | doub | 1.37Å | 1.41Å | Aromatic |
| C47 | S46 | sing | 1.74Å | 1.70Å | Aromatic |
| C47 | H47 | sing | 1.08Å | 1.10Å | |
| C48 | NO | sing | 1.33Å | 1.36Å | Aromatic |
| NO | C46 | doub | 1.32Å | 1.34Å | Aromatic |
| C46 | S46 | sing | 1.79Å | 1.70Å | Aromatic |
| NP | C50 | sing | 1.46Å | 1.43Å | |
| NP | HNP | sing | 0.97Å | 1.02Å | |
| C50 | C51 | sing | 1.53Å | 1.52Å | |
| C50 | H501 | sing | 1.09Å | 1.11Å | |
| C50 | H502 | sing | 1.09Å | 1.11Å | |
| C51 | C52 | sing | 1.53Å | 1.52Å | |
| C51 | H511 | sing | 1.09Å | 1.11Å | |
| C51 | H512 | sing | 1.09Å | 1.12Å | |
| C52 | C53 | sing | 1.53Å | 1.52Å | |
| C52 | H521 | sing | 1.09Å | 1.11Å | |
| C52 | H522 | sing | 1.09Å | 1.11Å | |
| C53 | NR | sing | 1.47Å | 1.45Å | |
| C53 | H531 | sing | 1.09Å | 1.12Å | |
| C53 | H532 | sing | 1.09Å | 1.12Å | |
| C54 | NR | sing | 1.38Å | 1.35Å | |
| C54 | NS | doub | 1.34Å | 1.32Å | |
| C54 | NT | sing | 1.34Å | 1.36Å | |
| NR | HNR | sing | 0.97Å | 1.02Å | |
| NS | HNS1 | sing | 0.97Å | 1.02Å | |
| NS | HNS2 | sing | 0.97Å | 1.02Å | |
| NT | HNT1 | sing | 0.97Å | 1.02Å | |
| NT | HNT2 | sing | 0.97Å | 1.02Å | |
| O59 | C59 | sing | 1.43Å | 1.39Å | |
| O59 | HO59 | sing | 0.97Å | 0.95Å | |
| O58 | C58 | sing | 1.43Å | 1.39Å | |
| O58 | HO58 | sing | 0.97Å | 0.95Å | |
| C61 | O61 | sing | 1.43Å | 1.37Å | |
| C61 | C60 | sing | 1.53Å | 1.51Å | |
| C61 | H611 | sing | 1.09Å | 1.11Å | |
| C61 | H612 | sing | 1.09Å | 1.12Å | |
| O61 | HO61 | sing | 0.97Å | 0.95Å | |
| O56 | C57 | sing | 1.43Å | 1.41Å | |
| O56 | C64 | sing | 1.43Å | 1.40Å | |
| C60 | O62 | sing | 1.43Å | 1.40Å | |
| C60 | C59 | sing | 1.53Å | 1.52Å | |
| C60 | H60 | sing | 1.09Å | 1.12Å | |
| O62 | C63 | sing | 1.43Å | 1.40Å | |
| C63 | C57 | sing | 1.53Å | 1.52Å | |
| C63 | H63 | sing | 1.09Å | 1.11Å | |
| C57 | C58 | sing | 1.53Å | 1.53Å | |
| C57 | H57 | sing | 1.09Å | 1.11Å | |
| C58 | C59 | sing | 1.53Å | 1.51Å | |
| C58 | H58 | sing | 1.09Å | 1.11Å | |
| C59 | H59 | sing | 1.09Å | 1.12Å | |
| C69 | C68 | sing | 1.53Å | 1.53Å | |
| C69 | C64 | sing | 1.53Å | 1.53Å | |
| C69 | O69 | sing | 1.43Å | 1.40Å | |
| C69 | H69 | sing | 1.09Å | 1.12Å | |
| C68 | C67 | sing | 1.53Å | 1.53Å | |
| C68 | O68 | sing | 1.45Å | 1.43Å | |
| C68 | H68 | sing | 1.09Å | 1.12Å | |
| C67 | C65 | sing | 1.53Å | 1.53Å | |
| C67 | O67 | sing | 1.43Å | 1.40Å | |
| C67 | H67 | sing | 1.09Å | 1.11Å | |
| C65 | O64 | sing | 1.43Å | 1.41Å | |
| C65 | C66 | sing | 1.53Å | 1.52Å | |
| C65 | H65 | sing | 1.09Å | 1.12Å | |
| O64 | C64 | sing | 1.43Å | 1.40Å | |
| C64 | H64 | sing | 1.09Å | 1.11Å | |
| O68 | C70 | sing | 1.35Å | 1.30Å | |
| O67 | HO67 | sing | 0.97Å | 0.95Å | |
| O69 | HO69 | sing | 0.97Å | 0.95Å | |
| NQ | C70 | sing | 1.35Å | 1.32Å | |
| NQ | HNQ1 | sing | 0.97Å | 1.02Å | |
| NQ | HNQ2 | sing | 0.97Å | 1.02Å | |
| C70 | O70 | doub | 1.22Å | 1.20Å | |
| O66 | C66 | sing | 1.43Å | 1.40Å | |
| O66 | HO66 | sing | 0.97Å | 0.95Å | |
| C66 | H661 | sing | 1.09Å | 1.12Å | |
| C66 | H662 | sing | 1.09Å | 1.11Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | NA | HA2 | 120.1° | 120.1° |
| C1 | NA | HA1 | 118.5° | 120.0° |
| NA | C1 | C2 | 118.5° | 120.0° |
| NA | C1 | O1 | 120.2° | 120.0° |
| HA2 | NA | HA1 | 118.6° | 119.9° |
| C1 | C2 | C3 | 111.9° | 109.4° |
| C1 | C2 | NB | 115.3° | 109.5° |
| C1 | C2 | H2 | 101.9° | 109.5° |
| C2 | C1 | O1 | 118.6° | 120.0° |
| C3 | C2 | NB | 103.5° | 109.5° |
| C3 | C2 | H2 | 114.0° | 109.5° |
| C2 | C3 | NC | 112.2° | 109.4° |
| C2 | C3 | H3E | 111.2° | 109.5° |
| C2 | C3 | H3X | 111.2° | 109.5° |
| NB | C2 | H2 | 110.6° | 109.5° |
| C2 | NB | HB1 | 115.3° | 106.7° |
| C2 | NB | HB2 | 110.1° | 106.7° |
| C3 | NC | C6 | 114.9° | 106.7° |
| C3 | NC | HNC | 110.2° | 106.7° |
| NC | C3 | H3E | 111.2° | 109.5° |
| NC | C3 | H3X | 111.2° | 109.5° |
| C6 | NC | HNC | 110.2° | 106.7° |
| NC | C6 | C5 | 118.4° | 109.5° |
| NC | C6 | C7 | 102.8° | 109.5° |
| NC | C6 | H6 | 110.4° | 109.5° |
| H3E | C3 | H3X | 99.1° | 109.5° |
| HB1 | NB | HB2 | 110.1° | 106.7° |
| C4 | ND | HD2 | 122.0° | 120.0° |
| C4 | ND | HD1 | 109.0° | 120.0° |
| ND | C4 | C5 | 109.0° | 120.0° |
| ND | C4 | O4 | 122.0° | 120.0° |
| HD2 | ND | HD1 | 121.3° | 120.0° |
| C4 | C5 | C6 | 116.2° | 109.5° |
| C4 | C5 | H5E | 109.8° | 109.5° |
| C4 | C5 | H5X | 109.8° | 109.5° |
| C5 | C4 | O4 | 121.3° | 120.0° |
| C6 | C5 | H5E | 109.8° | 109.4° |
| C6 | C5 | H5X | 109.8° | 109.4° |
| C5 | C6 | C7 | 115.0° | 109.4° |
| C5 | C6 | H6 | 96.6° | 109.4° |
| H5E | C5 | H5X | 100.3° | 109.4° |
| C9 | C8 | NE | 123.7° | 119.0° |
| C9 | C8 | NF | 119.1° | 120.5° |
| C8 | C9 | C10 | 115.2° | 118.2° |
| C8 | C9 | CA | 121.3° | 120.9° |
| NE | C8 | NF | 117.2° | 120.5° |
| C8 | NE | C7 | 115.5° | 120.9° |
| C8 | NF | HF2 | 119.1° | 120.0° |
| C8 | NF | HF1 | 108.8° | 120.0° |
| C10 | C9 | CA | 123.5° | 120.9° |
| C9 | C10 | NG | 121.7° | 119.0° |
| C9 | C10 | C12 | 126.7° | 120.5° |
| C9 | CA | HAA | 121.3° | 109.5° |
| C9 | CA | HAB | 108.0° | 109.4° |
| C9 | CA | HAC | 108.0° | 109.4° |
| NG | C10 | C12 | 111.6° | 120.5° |
| C10 | NG | C7 | 117.9° | 120.9° |
| C10 | C12 | O12 | 127.4° | 120.1° |
| C10 | C12 | NH | 110.3° | 120.0° |
| NG | C7 | NE | 125.9° | 122.0° |
| NG | C7 | C6 | 110.8° | 119.0° |
| NE | C7 | C6 | 123.3° | 119.0° |
| C7 | C6 | H6 | 114.1° | 109.5° |
| HF2 | NF | HF1 | 108.7° | 120.0° |
| HAA | CA | HAB | 108.0° | 109.5° |
| HAA | CA | HAC | 108.0° | 109.5° |
| HAB | CA | HAC | 101.9° | 109.5° |
| O12 | C12 | NH | 122.3° | 119.9° |
| C12 | NH | C13 | 115.4° | 120.0° |
| C12 | NH | HNH | 118.6° | 120.0° |
| C13 | NH | HNH | 126.0° | 120.0° |
| NH | C13 | C30 | 120.4° | 109.4° |
| NH | C13 | C14 | 112.8° | 109.5° |
| NH | C13 | H13 | 97.8° | 109.5° |
| C30 | C13 | C14 | 108.1° | 109.5° |
| C30 | C13 | H13 | 103.8° | 109.4° |
| C13 | C30 | O30 | 123.3° | 120.0° |
| C13 | C30 | NK | 110.1° | 120.0° |
| C14 | C13 | H13 | 113.1° | 109.5° |
| C13 | C14 | C27 | 105.7° | 109.5° |
| C13 | C14 | OH1 | 106.5° | 109.5° |
| C13 | C14 | H14 | 116.5° | 109.5° |
| O30 | C30 | NK | 126.6° | 120.0° |
| C30 | NK | C31 | 116.8° | 120.0° |
| C30 | NK | HNK | 118.0° | 120.0° |
| C27 | C14 | OH1 | 116.3° | 109.4° |
| C27 | C14 | H14 | 106.6° | 109.5° |
| C14 | C27 | NJ | 127.7° | 126.0° |
| C14 | C27 | C28 | 121.5° | 126.0° |
| OH1 | C14 | H14 | 105.8° | 109.5° |
| C14 | OH1 | C63 | 103.1° | 106.7° |
| NJ | C27 | C28 | 110.0° | 108.1° |
| C27 | NJ | C29 | 105.8° | 109.2° |
| C27 | C28 | NI | 106.6° | 106.8° |
| C27 | C28 | H28 | 127.3° | 126.6° |
| OH1 | C63 | O62 | 110.3° | 109.4° |
| OH1 | C63 | C57 | 113.8° | 109.4° |
| OH1 | C63 | H63 | 104.3° | 109.5° |
| NJ | C29 | NI | 110.9° | 108.7° |
| NJ | C29 | H29 | 124.2° | 125.6° |
| NI | C28 | H28 | 126.1° | 126.6° |
| C28 | NI | C29 | 106.5° | 107.2° |
| C28 | NI | HNI | 126.8° | 126.4° |
| NI | C29 | H29 | 124.9° | 125.7° |
| C29 | NI | HNI | 126.7° | 126.4° |
| C31 | NK | HNK | 125.2° | 120.0° |
| NK | C31 | CB | 98.4° | 109.5° |
| NK | C31 | C33 | 111.9° | 109.5° |
| NK | C31 | H31 | 115.9° | 109.5° |
| C36 | C34 | C33 | 104.1° | 109.4° |
| C36 | C34 | CC | 118.1° | 109.5° |
| C36 | C34 | H34 | 109.9° | 109.5° |
| C34 | C36 | O36 | 123.3° | 120.0° |
| C34 | C36 | NL | 107.9° | 120.0° |
| C33 | C34 | CC | 115.7° | 109.5° |
| C33 | C34 | H34 | 112.6° | 109.5° |
| C34 | C33 | OH2 | 117.0° | 109.5° |
| C34 | C33 | C31 | 107.4° | 109.4° |
| C34 | C33 | H33 | 105.5° | 109.5° |
| CC | C34 | H34 | 96.5° | 109.5° |
| C34 | CC | HCB | 118.1° | 109.5° |
| C34 | CC | HCC | 109.0° | 109.4° |
| C34 | CC | HCA | 109.1° | 109.5° |
| O36 | C36 | NL | 128.6° | 120.0° |
| C36 | NL | C37 | 126.0° | 120.0° |
| C36 | NL | HNL | 113.2° | 120.0° |
| C33 | OH2 | HO2 | 117.0° | 106.8° |
| OH2 | C33 | C31 | 108.6° | 109.4° |
| OH2 | C33 | H33 | 104.2° | 109.5° |
| CB | C31 | C33 | 111.8° | 109.5° |
| CB | C31 | H31 | 115.9° | 109.5° |
| C31 | CB | HBA | 98.3° | 109.5° |
| C31 | CB | HBB | 116.5° | 109.5° |
| C31 | CB | HBC | 116.5° | 109.5° |
| C33 | C31 | H31 | 103.4° | 109.4° |
| C31 | C33 | H33 | 114.4° | 109.5° |
| HBA | CB | HBB | 116.5° | 109.4° |
| HBA | CB | HBC | 116.5° | 109.5° |
| HBB | CB | HBC | 93.9° | 109.4° |
| HCB | CC | HCC | 109.1° | 109.5° |
| HCB | CC | HCA | 109.1° | 109.5° |
| HCC | CC | HCA | 101.0° | 109.5° |
| C37 | NL | HNL | 120.7° | 120.0° |
| NL | C37 | C40 | 113.7° | 109.4° |
| NL | C37 | C38 | 109.4° | 109.5° |
| NL | C37 | H37 | 107.5° | 109.5° |
| C40 | C37 | C38 | 111.9° | 109.5° |
| C40 | C37 | H37 | 104.7° | 109.4° |
| C37 | C40 | O40 | 120.5° | 120.0° |
| C37 | C40 | NM | 114.9° | 120.0° |
| C38 | C37 | H37 | 109.5° | 109.5° |
| C37 | C38 | OH3 | 115.7° | 109.5° |
| C37 | C38 | CD | 111.9° | 109.4° |
| C37 | C38 | H38 | 102.1° | 109.5° |
| O40 | C40 | NM | 124.7° | 119.9° |
| C40 | NM | C41 | 126.5° | 120.0° |
| C40 | NM | HNM | 112.4° | 119.9° |
| OH3 | C38 | CD | 105.9° | 109.5° |
| OH3 | C38 | H38 | 108.6° | 109.5° |
| C38 | OH3 | HO3 | 115.8° | 106.8° |
| CD | C38 | H38 | 112.8° | 109.5° |
| C38 | CD | HDB | 111.9° | 109.5° |
| C38 | CD | HDC | 111.3° | 109.5° |
| C38 | CD | HDA | 111.3° | 109.5° |
| HDB | CD | HDC | 111.4° | 109.5° |
| HDB | CD | HDA | 111.3° | 109.4° |
| HDC | CD | HDA | 99.1° | 109.4° |
| C41 | NM | HNM | 121.1° | 120.0° |
| NM | C41 | C42 | 108.8° | 109.5° |
| NM | C41 | H1E | 112.5° | 109.4° |
| NM | C41 | H1X | 112.5° | 109.5° |
| C43 | C42 | C41 | 114.1° | 109.5° |
| C43 | C42 | H2E | 110.5° | 109.5° |
| C43 | C42 | H2X | 110.5° | 109.5° |
| C42 | C43 | S43 | 123.3° | 128.8° |
| C42 | C43 | NN | 124.6° | 128.7° |
| C41 | C42 | H2E | 110.5° | 109.5° |
| C41 | C42 | H2X | 110.5° | 109.5° |
| C42 | C41 | H1E | 112.4° | 109.5° |
| C42 | C41 | H1X | 112.4° | 109.5° |
| H2E | C42 | H2X | 99.8° | 109.5° |
| O49 | C49 | C48 | 122.5° | 120.0° |
| O49 | C49 | NP | 123.0° | 120.0° |
| C48 | C49 | NP | 114.5° | 120.0° |
| C49 | C48 | C47 | 126.3° | 120.4° |
| C49 | C48 | NO | 122.3° | 120.4° |
| C49 | NP | C50 | 124.4° | 120.0° |
| C49 | NP | HNP | 114.0° | 120.0° |
| S43 | C43 | NN | 112.1° | 102.5° |
| C43 | S43 | C44 | 92.7° | 97.6° |
| C43 | NN | C45 | 111.6° | 121.5° |
| H1E | C41 | H1X | 97.9° | 109.5° |
| S43 | C44 | C45 | 107.3° | 100.6° |
| S43 | C44 | H44 | 133.9° | 129.7° |
| C45 | C44 | H44 | 118.8° | 129.7° |
| C44 | C45 | NN | 116.2° | 117.8° |
| C44 | C45 | C46 | 123.3° | 121.1° |
| NN | C45 | C46 | 120.5° | 121.1° |
| C45 | C46 | NO | 121.2° | 129.1° |
| C45 | C46 | S46 | 124.6° | 129.2° |
| C48 | C47 | S46 | 112.2° | 101.6° |
| C48 | C47 | H47 | 115.8° | 129.3° |
| C47 | C48 | NO | 111.4° | 119.2° |
| S46 | C47 | H47 | 132.0° | 129.2° |
| C47 | S46 | C46 | 89.4° | 97.7° |
| C48 | NO | C46 | 112.9° | 119.8° |
| NO | C46 | S46 | 114.2° | 101.7° |
| C50 | NP | HNP | 121.6° | 120.0° |
| NP | C50 | C51 | 105.8° | 109.5° |
| NP | C50 | H501 | 113.6° | 109.5° |
| NP | C50 | H502 | 113.5° | 109.5° |
| C51 | C50 | H501 | 113.6° | 109.5° |
| C51 | C50 | H502 | 113.6° | 109.5° |
| C50 | C51 | C52 | 112.3° | 109.5° |
| C50 | C51 | H511 | 111.2° | 109.5° |
| C50 | C51 | H512 | 111.2° | 109.5° |
| H501 | C50 | H502 | 96.9° | 109.4° |
| C52 | C51 | H511 | 111.2° | 109.4° |
| C52 | C51 | H512 | 111.1° | 109.4° |
| C51 | C52 | C53 | 109.6° | 109.5° |
| C51 | C52 | H521 | 112.1° | 109.5° |
| C51 | C52 | H522 | 112.1° | 109.4° |
| H511 | C51 | H512 | 99.1° | 109.5° |
| C53 | C52 | H521 | 112.1° | 109.5° |
| C53 | C52 | H522 | 112.2° | 109.5° |
| C52 | C53 | NR | 115.0° | 109.5° |
| C52 | C53 | H531 | 110.1° | 109.5° |
| C52 | C53 | H532 | 110.2° | 109.5° |
| H521 | C52 | H522 | 98.3° | 109.4° |
| NR | C53 | H531 | 110.2° | 109.5° |
| NR | C53 | H532 | 110.2° | 109.5° |
| C53 | NR | C54 | 127.5° | 120.0° |
| C53 | NR | HNR | 105.9° | 120.0° |
| H531 | C53 | H532 | 100.0° | 109.5° |
| NR | C54 | NS | 122.3° | 120.0° |
| NR | C54 | NT | 117.9° | 120.0° |
| C54 | NR | HNR | 106.0° | 120.0° |
| NS | C54 | NT | 119.8° | 120.0° |
| C54 | NS | HNS1 | 119.8° | 120.0° |
| C54 | NS | HNS2 | 122.3° | 120.0° |
| C54 | NT | HNT1 | 117.9° | 120.0° |
| C54 | NT | HNT2 | 109.1° | 120.0° |
| HNS1 | NS | HNS2 | 117.9° | 119.9° |
| HNT1 | NT | HNT2 | 109.2° | 120.0° |
| C59 | O59 | HO59 | 112.2° | 106.8° |
| O59 | C59 | C60 | 112.2° | 109.5° |
| O59 | C59 | C58 | 114.6° | 109.6° |
| O59 | C59 | H59 | 104.5° | 109.5° |
| C58 | O58 | HO58 | 115.0° | 106.8° |
| O58 | C58 | C57 | 114.9° | 109.8° |
| O58 | C58 | C59 | 113.2° | 109.6° |
| O58 | C58 | H58 | 103.7° | 109.6° |
| O61 | C61 | C60 | 116.2° | 109.5° |
| O61 | C61 | H611 | 109.8° | 109.5° |
| O61 | C61 | H612 | 109.8° | 109.5° |
| C61 | O61 | HO61 | 116.2° | 106.8° |
| C60 | C61 | H611 | 109.7° | 109.5° |
| C60 | C61 | H612 | 109.7° | 109.5° |
| C61 | C60 | O62 | 111.1° | 109.4° |
| C61 | C60 | C59 | 123.3° | 109.4° |
| C61 | C60 | H60 | 100.3° | 109.4° |
| H611 | C61 | H612 | 100.4° | 109.4° |
| C57 | O56 | C64 | 109.8° | 106.8° |
| O56 | C57 | C63 | 108.8° | 109.5° |
| O56 | C57 | C58 | 117.1° | 109.5° |
| O56 | C57 | H57 | 108.3° | 109.5° |
| O56 | C64 | C69 | 111.3° | 109.4° |
| O56 | C64 | O64 | 112.8° | 109.5° |
| O56 | C64 | H64 | 106.8° | 109.4° |
| O62 | C60 | C59 | 117.5° | 109.8° |
| O62 | C60 | H60 | 110.6° | 109.4° |
| C60 | O62 | C63 | 110.2° | 107.6° |
| C59 | C60 | H60 | 88.7° | 109.4° |
| C60 | C59 | C58 | 111.7° | 109.1° |
| C60 | C59 | H59 | 107.9° | 109.6° |
| O62 | C63 | C57 | 104.1° | 109.7° |
| O62 | C63 | H63 | 114.1° | 109.4° |
| C57 | C63 | H63 | 110.5° | 109.4° |
| C63 | C57 | C58 | 118.2° | 109.1° |
| C63 | C57 | H57 | 106.9° | 109.6° |
| C58 | C57 | H57 | 95.9° | 109.6° |
| C57 | C58 | C59 | 112.7° | 108.6° |
| C57 | C58 | H58 | 104.4° | 109.6° |
| C59 | C58 | H58 | 106.5° | 109.7° |
| C58 | C59 | H59 | 105.1° | 109.6° |
| C68 | C69 | C64 | 112.1° | 109.1° |
| C68 | C69 | O69 | 112.8° | 109.6° |
| C68 | C69 | H69 | 105.5° | 109.5° |
| C69 | C68 | C67 | 111.9° | 108.6° |
| C69 | C68 | O68 | 107.7° | 109.7° |
| C69 | C68 | H68 | 110.4° | 109.6° |
| C64 | C69 | O69 | 110.3° | 109.6° |
| C64 | C69 | H69 | 108.2° | 109.5° |
| C69 | C64 | O64 | 112.3° | 109.7° |
| C69 | C64 | H64 | 107.4° | 109.4° |
| O69 | C69 | H69 | 107.6° | 109.5° |
| C69 | O69 | HO69 | 112.7° | 106.8° |
| C67 | C68 | O68 | 113.2° | 109.6° |
| C67 | C68 | H68 | 104.6° | 109.7° |
| C68 | C67 | C65 | 110.6° | 109.0° |
| C68 | C67 | O67 | 114.7° | 109.6° |
| C68 | C67 | H67 | 103.8° | 109.6° |
| O68 | C68 | H68 | 109.1° | 109.6° |
| C68 | O68 | C70 | 121.1° | 120.0° |
| C65 | C67 | O67 | 105.6° | 109.6° |
| C65 | C67 | H67 | 113.3° | 109.6° |
| C67 | C65 | O64 | 109.9° | 109.8° |
| C67 | C65 | C66 | 112.3° | 109.3° |
| C67 | C65 | H65 | 107.7° | 109.4° |
| O67 | C67 | H67 | 109.0° | 109.6° |
| C67 | O67 | HO67 | 114.8° | 106.8° |
| O64 | C65 | C66 | 110.9° | 109.4° |
| O64 | C65 | H65 | 109.2° | 109.4° |
| C65 | O64 | C64 | 117.3° | 107.6° |
| C66 | C65 | H65 | 106.7° | 109.4° |
| C65 | C66 | O66 | 116.4° | 109.4° |
| C65 | C66 | H661 | 109.7° | 109.4° |
| C65 | C66 | H662 | 109.7° | 109.5° |
| O64 | C64 | H64 | 105.8° | 109.4° |
| O68 | C70 | NQ | 113.5° | 120.0° |
| O68 | C70 | O70 | 121.5° | 120.0° |
| C70 | NQ | HNQ1 | 119.5° | 120.0° |
| C70 | NQ | HNQ2 | 113.5° | 120.0° |
| NQ | C70 | O70 | 119.4° | 120.0° |
| HNQ1 | NQ | HNQ2 | 121.4° | 120.0° |
| C66 | O66 | HO66 | 116.4° | 106.8° |
| O66 | C66 | H661 | 109.7° | 109.5° |
| O66 | C66 | H662 | 109.7° | 109.5° |
| H661 | C66 | H662 | 100.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | NA | HA2 | HA1 | 160.8° | 180.0° |
| NA | C1 | C2 | O1 | 161.1° | 180.0° |
| NA | C1 | C2 | C3 | 87.2° | 80.0° |
| NA | C1 | C2 | NB | 154.8° | 160.0° |
| NA | C1 | C2 | H2 | 35.0° | 39.9° |
| HA2 | NA | C1 | C2 | 19.2° | 180.0° |
| HA2 | NA | C1 | O1 | 180.0° | 0.0° |
| HA1 | NA | C1 | C2 | 180.0° | 0.1° |
| HA1 | NA | C1 | O1 | 19.2° | 180.0° |
| C1 | C2 | C3 | NB | 124.8° | 120.0° |
| C1 | C2 | C3 | H2 | 115.0° | 119.9° |
| C1 | C2 | NB | H2 | 114.9° | 120.0° |
| C1 | C2 | C3 | NC | 80.7° | 175.0° |
| C1 | C2 | C3 | H3E | 44.5° | 65.0° |
| C1 | C2 | C3 | H3X | 154.0° | 55.0° |
| C1 | C2 | NB | HB1 | 180.0° | 53.8° |
| C1 | C2 | NB | HB2 | 54.8° | 60.0° |
| C3 | C2 | NB | H2 | 122.5° | 120.0° |
| C3 | C2 | C1 | O1 | 73.9° | 100.0° |
| C2 | C3 | NC | H3E | 125.3° | 120.0° |
| C2 | C3 | NC | H3X | 125.3° | 120.0° |
| C2 | C3 | NC | C6 | 151.7° | 175.0° |
| C2 | C3 | NC | HNC | 83.1° | 61.2° |
| C2 | C3 | H3E | H3X | 117.1° | 120.0° |
| C3 | C2 | NB | HB1 | 57.4° | 173.8° |
| C3 | C2 | NB | HB2 | 67.8° | 60.0° |
| NB | C2 | C1 | O1 | 44.0° | 20.0° |
| NB | C2 | C3 | NC | 44.0° | 55.0° |
| NB | C2 | C3 | H3E | 169.3° | 175.0° |
| NB | C2 | C3 | H3X | 81.3° | 64.9° |
| C2 | NB | HB1 | HB2 | 125.2° | 113.8° |
| H2 | C2 | C1 | O1 | 163.9° | 140.0° |
| H2 | C2 | C3 | NC | 164.3° | 65.1° |
| H2 | C2 | C3 | H3E | 70.5° | 54.9° |
| H2 | C2 | C3 | H3X | 39.0° | 175.0° |
| H2 | C2 | NB | HB1 | 65.0° | 66.2° |
| H2 | C2 | NB | HB2 | 169.7° | 180.0° |
| C3 | NC | C6 | HNC | 125.2° | 113.8° |
| NC | C3 | H3E | H3X | 117.1° | 120.0° |
| C3 | NC | C6 | C5 | 50.4° | 90.0° |
| C3 | NC | C6 | C7 | 77.6° | 150.1° |
| C3 | NC | C6 | H6 | 160.3° | 30.0° |
| C6 | NC | C3 | H3E | 83.0° | 65.0° |
| C6 | NC | C3 | H3X | 26.4° | 55.0° |
| NC | C6 | C5 | C4 | 59.8° | 179.9° |
| NC | C6 | C5 | C7 | 122.0° | 120.0° |
| NC | C6 | C5 | H6 | 117.5° | 120.0° |
| NC | C6 | C5 | H5E | 174.9° | 59.8° |
| NC | C6 | C5 | H5X | 65.5° | 60.1° |
| NC | C6 | C7 | NG | 30.7° | 135.0° |
| NC | C6 | C7 | NE | 149.0° | 45.0° |
| NC | C6 | C7 | H6 | 119.5° | 120.1° |
| HNC | NC | C3 | H3E | 42.2° | 178.8° |
| HNC | NC | C3 | H3X | 151.6° | 58.7° |
| HNC | NC | C6 | C5 | 74.8° | 156.3° |
| HNC | NC | C6 | C7 | 157.2° | 36.3° |
| HNC | NC | C6 | H6 | 35.1° | 83.8° |
| C4 | ND | HD2 | HD1 | 145.9° | 179.9° |
| ND | C4 | C5 | O4 | 149.8° | 179.9° |
| ND | C4 | C5 | C6 | 171.1° | 175.0° |
| ND | C4 | C5 | H5E | 63.7° | 65.1° |
| ND | C4 | C5 | H5X | 45.8° | 55.0° |
| HD2 | ND | C4 | C5 | 30.4° | 180.0° |
| HD2 | ND | C4 | O4 | 180.0° | 0.1° |
| HD1 | ND | C4 | C5 | 180.0° | 0.0° |
| HD1 | ND | C4 | O4 | 30.4° | 180.0° |
| C4 | C5 | C6 | H5E | 125.3° | 120.0° |
| C4 | C5 | C6 | H5X | 125.3° | 120.1° |
| C4 | C5 | H5E | H5X | 115.6° | 120.1° |
| C4 | C5 | C6 | C7 | 178.2° | 60.1° |
| C4 | C5 | C6 | H6 | 57.7° | 59.9° |
| C6 | C5 | H5E | H5X | 115.5° | 119.9° |
| C6 | C5 | C4 | O4 | 21.2° | 5.0° |
| C5 | C6 | C7 | NG | 160.8° | 105.0° |
| C5 | C6 | C7 | NE | 18.8° | 75.0° |
| C5 | C6 | C7 | H6 | 110.4° | 119.9° |
| H5E | C5 | C4 | O4 | 146.5° | 115.0° |
| H5E | C5 | C6 | C7 | 52.9° | 179.8° |
| H5E | C5 | C6 | H6 | 67.7° | 60.2° |
| H5X | C5 | C4 | O4 | 104.1° | 125.0° |
| H5X | C5 | C6 | C7 | 56.5° | 59.9° |
| H5X | C5 | C6 | H6 | 177.0° | 179.9° |
| C9 | C8 | NE | NF | 178.8° | 179.7° |
| C8 | C9 | C10 | CA | 179.0° | 179.5° |
| C8 | C9 | C10 | NG | 1.9° | 0.6° |
| C8 | C9 | C10 | C12 | 178.4° | 179.7° |
| C9 | C8 | NE | C7 | 0.6° | 0.3° |
| C9 | C8 | NF | HF2 | 180.0° | 0.3° |
| C9 | C8 | NF | HF1 | 54.7° | 179.7° |
| C8 | C9 | CA | HAA | 180.0° | 85.2° |
| C8 | C9 | CA | HAB | 54.7° | 154.8° |
| C8 | C9 | CA | HAC | 54.7° | 34.9° |
| NE | C8 | C9 | C10 | 0.4° | 0.6° |
| NE | C8 | C9 | CA | 178.7° | 180.0° |
| C8 | NE | C7 | NG | 1.4° | 0.0° |
| C8 | NE | C7 | C6 | 179.1° | 180.0° |
| NE | C8 | NF | HF2 | 1.1° | 180.0° |
| NE | C8 | NF | HF1 | 126.4° | 0.0° |
| NF | C8 | C9 | C10 | 178.4° | 179.8° |
| NF | C8 | C9 | CA | 2.6° | 0.3° |
| NF | C8 | NE | C7 | 178.1° | 180.0° |
| C8 | NF | HF2 | HF1 | 125.3° | 180.0° |
| C9 | C10 | NG | C12 | 179.7° | 179.7° |
| C9 | C10 | NG | C7 | 3.7° | 0.3° |
| C10 | C9 | CA | HAA | 1.1° | 95.4° |
| C10 | C9 | CA | HAB | 124.2° | 24.6° |
| C10 | C9 | CA | HAC | 126.3° | 144.6° |
| C9 | C10 | C12 | O12 | 4.8° | 5.0° |
| C9 | C10 | C12 | NH | 174.0° | 175.0° |
| CA | C9 | C10 | NG | 179.1° | 180.0° |
| CA | C9 | C10 | C12 | 0.6° | 0.2° |
| C9 | CA | HAA | HAB | 125.3° | 120.0° |
| C9 | CA | HAA | HAC | 125.2° | 120.0° |
| C9 | CA | HAB | HAC | 113.6° | 119.9° |
| C10 | NG | C7 | NE | 3.6° | 0.0° |
| C10 | NG | C7 | C6 | 176.8° | 180.0° |
| NG | C10 | C12 | O12 | 174.9° | 175.3° |
| NG | C10 | C12 | NH | 6.2° | 4.7° |
| C12 | C10 | NG | C7 | 176.5° | 180.0° |
| C10 | C12 | O12 | NH | 178.7° | 180.0° |
| C10 | C12 | NH | C13 | 171.1° | 180.0° |
| C10 | C12 | NH | HNH | 8.9° | 0.1° |
| NG | C7 | NE | C6 | 179.6° | 180.0° |
| NG | C7 | C6 | H6 | 88.8° | 14.9° |
| NE | C7 | C6 | H6 | 91.6° | 165.0° |
| HAA | CA | HAB | HAC | 113.6° | 120.0° |
| O12 | C12 | NH | C13 | 7.8° | 0.0° |
| O12 | C12 | NH | HNH | 172.2° | 179.9° |
| C12 | NH | C13 | HNH | 180.0° | 179.9° |
| C12 | NH | C13 | C30 | 95.1° | 155.0° |
| C12 | NH | C13 | C14 | 135.3° | 85.1° |
| C12 | NH | C13 | H13 | 16.1° | 35.0° |
| NH | C13 | C30 | C14 | 131.7° | 120.0° |
| NH | C13 | C30 | H13 | 107.9° | 120.0° |
| NH | C13 | C14 | H13 | 109.9° | 120.1° |
| NH | C13 | C30 | O30 | 160.5° | 13.6° |
| NH | C13 | C30 | NK | 17.7° | 166.5° |
| NH | C13 | C14 | C27 | 61.2° | 25.3° |
| NH | C13 | C14 | OH1 | 63.0° | 145.2° |
| NH | C13 | C14 | H14 | 179.3° | 94.7° |
| HNH | NH | C13 | C30 | 85.0° | 25.0° |
| HNH | NH | C13 | C14 | 44.7° | 95.0° |
| HNH | NH | C13 | H13 | 163.9° | 144.9° |
| C30 | C13 | C14 | H13 | 114.4° | 120.0° |
| C13 | C30 | O30 | NK | 177.9° | 179.9° |
| C30 | C13 | C14 | C27 | 74.5° | 145.2° |
| C30 | C13 | C14 | OH1 | 161.2° | 94.8° |
| C30 | C13 | C14 | H14 | 43.6° | 25.2° |
| C13 | C30 | NK | C31 | 161.8° | 178.9° |
| C13 | C30 | NK | HNK | 18.1° | 1.1° |
| C14 | C13 | C30 | O30 | 67.7° | 106.4° |
| C14 | C13 | C30 | NK | 114.0° | 73.5° |
| C13 | C14 | C27 | OH1 | 117.8° | 119.9° |
| C13 | C14 | C27 | H14 | 124.5° | 120.0° |
| C13 | C14 | OH1 | H14 | 124.5° | 120.1° |
| C13 | C14 | C27 | NJ | 42.9° | 55.3° |
| C13 | C14 | C27 | C28 | 125.6° | 125.0° |
| C13 | C14 | OH1 | C63 | 121.8° | 87.7° |
| H13 | C13 | C30 | O30 | 52.7° | 133.6° |
| H13 | C13 | C30 | NK | 125.6° | 46.5° |
| H13 | C13 | C14 | C27 | 171.1° | 94.8° |
| H13 | C13 | C14 | OH1 | 46.9° | 25.1° |
| H13 | C13 | C14 | H14 | 70.8° | 145.2° |
| O30 | C30 | NK | C31 | 16.3° | 1.2° |
| O30 | C30 | NK | HNK | 163.7° | 178.8° |
| C30 | NK | C31 | HNK | 180.0° | 180.0° |
| C30 | NK | C31 | CB | 92.8° | 82.8° |
| C30 | NK | C31 | C33 | 149.6° | 157.2° |
| C30 | NK | C31 | H31 | 31.5° | 37.3° |
| C27 | C14 | OH1 | H14 | 118.1° | 120.0° |
| C14 | C27 | NJ | C28 | 169.6° | 179.7° |
| C27 | C14 | OH1 | C63 | 120.8° | 152.4° |
| C14 | C27 | NJ | C29 | 172.6° | 179.9° |
| C14 | C27 | C28 | NI | 173.9° | 180.0° |
| C14 | C27 | C28 | H28 | 6.2° | 0.1° |
| OH1 | C14 | C27 | NJ | 74.9° | 64.7° |
| OH1 | C14 | C27 | C28 | 116.5° | 115.0° |
| C14 | OH1 | C63 | O62 | 75.3° | 64.2° |
| C14 | OH1 | C63 | C57 | 168.1° | 175.6° |
| C14 | OH1 | C63 | H63 | 47.6° | 55.7° |
| H14 | C14 | C27 | NJ | 167.4° | 175.3° |
| H14 | C14 | C27 | C28 | 1.1° | 5.0° |
| H14 | C14 | OH1 | C63 | 2.7° | 32.4° |
| NJ | C27 | C28 | NI | 3.5° | 0.3° |
| NJ | C27 | C28 | H28 | 176.5° | 179.8° |
| C27 | NJ | C29 | NI | 1.4° | 0.4° |
| C27 | NJ | C29 | H29 | 178.6° | 179.8° |
| C28 | C27 | NJ | C29 | 3.0° | 0.4° |
| C27 | C28 | NI | H28 | 180.0° | 179.9° |
| C27 | C28 | NI | C29 | 2.5° | 0.0° |
| C27 | C28 | NI | HNI | 177.5° | 180.0° |
| OH1 | C63 | C57 | O56 | 54.7° | 61.2° |
| OH1 | C63 | O62 | C60 | 49.9° | 52.5° |
| OH1 | C63 | O62 | C57 | 122.5° | 120.0° |
| OH1 | C63 | O62 | H63 | 117.0° | 119.9° |
| OH1 | C63 | C57 | H63 | 117.0° | 119.9° |
| OH1 | C63 | C57 | C58 | 82.0° | 58.7° |
| OH1 | C63 | C57 | H57 | 171.4° | 178.7° |
| NJ | C29 | NI | C28 | 0.7° | 0.2° |
| NJ | C29 | NI | H29 | 180.0° | 179.8° |
| NJ | C29 | NI | HNI | 179.3° | 179.8° |
| C28 | NI | C29 | HNI | 180.0° | 179.9° |
| C28 | NI | C29 | H29 | 179.3° | 180.0° |
| H28 | C28 | NI | C29 | 177.5° | 180.0° |
| H28 | C28 | NI | HNI | 2.5° | 0.1° |
| H29 | C29 | NI | HNI | 0.8° | 0.1° |
| NK | C31 | C33 | C34 | 42.8° | 162.3° |
| NK | C31 | C33 | OH2 | 170.2° | 77.7° |
| NK | C31 | CB | C33 | 117.7° | 120.0° |
| NK | C31 | CB | H31 | 124.2° | 120.0° |
| NK | C31 | C33 | H31 | 125.4° | 120.0° |
| NK | C31 | CB | HBA | 180.0° | 54.1° |
| NK | C31 | CB | HBB | 54.7° | 65.9° |
| NK | C31 | CB | HBC | 54.7° | 174.2° |
| NK | C31 | C33 | H33 | 73.9° | 42.3° |
| HNK | NK | C31 | CB | 87.2° | 97.2° |
| HNK | NK | C31 | C33 | 30.4° | 22.8° |
| HNK | NK | C31 | H31 | 148.6° | 142.8° |
| C36 | C34 | C33 | CC | 131.3° | 120.0° |
| C36 | C34 | C33 | H34 | 119.0° | 120.0° |
| C36 | C34 | CC | H34 | 116.7° | 120.0° |
| C34 | C36 | O36 | NL | 175.2° | 180.0° |
| C36 | C34 | C33 | OH2 | 70.4° | 52.6° |
| C36 | C34 | C33 | C31 | 167.3° | 172.5° |
| C36 | C34 | C33 | H33 | 44.8° | 67.5° |
| C36 | C34 | CC | HCB | 180.0° | 68.5° |
| C36 | C34 | CC | HCC | 54.8° | 171.5° |
| C36 | C34 | CC | HCA | 54.7° | 51.5° |
| C34 | C36 | NL | C37 | 168.7° | 180.0° |
| C34 | C36 | NL | HNL | 11.4° | 0.1° |
| C33 | C34 | CC | H34 | 119.0° | 120.1° |
| C33 | C34 | C36 | O36 | 93.6° | 5.0° |
| C33 | C34 | C36 | NL | 90.3° | 175.0° |
| C34 | C33 | OH2 | C31 | 121.7° | 119.9° |
| C34 | C33 | OH2 | H33 | 116.0° | 120.1° |
| C34 | C33 | OH2 | HO2 | 180.0° | 55.0° |
| C34 | C33 | C31 | CB | 152.0° | 77.7° |
| C34 | C33 | C31 | H33 | 116.7° | 120.0° |
| C34 | C33 | C31 | H31 | 82.6° | 42.3° |
| C33 | C34 | CC | HCB | 55.7° | 51.5° |
| C33 | C34 | CC | HCC | 179.1° | 68.5° |
| C33 | C34 | CC | HCA | 69.6° | 171.5° |
| CC | C34 | C36 | O36 | 36.2° | 125.0° |
| CC | C34 | C36 | NL | 139.8° | 55.0° |
| CC | C34 | C33 | OH2 | 60.9° | 67.4° |
| CC | C34 | C33 | C31 | 61.4° | 52.5° |
| CC | C34 | C33 | H33 | 176.1° | 172.6° |
| C34 | CC | HCB | HCC | 125.2° | 120.0° |
| C34 | CC | HCB | HCA | 125.2° | 120.0° |
| C34 | CC | HCC | HCA | 114.8° | 120.0° |
| H34 | C34 | C36 | O36 | 145.5° | 115.0° |
| H34 | C34 | C36 | NL | 30.6° | 65.0° |
| H34 | C34 | C33 | OH2 | 170.6° | 172.6° |
| H34 | C34 | C33 | C31 | 48.3° | 67.5° |
| H34 | C34 | C33 | H33 | 74.1° | 52.5° |
| H34 | C34 | CC | HCB | 63.3° | 171.6° |
| H34 | C34 | CC | HCC | 61.9° | 51.5° |
| H34 | C34 | CC | HCA | 171.4° | 68.4° |
| O36 | C36 | NL | C37 | 7.1° | 0.1° |
| O36 | C36 | NL | HNL | 172.8° | 179.9° |
| C36 | NL | C37 | HNL | 180.0° | 179.9° |
| C36 | NL | C37 | C40 | 149.3° | 155.0° |
| C36 | NL | C37 | C38 | 84.8° | 85.0° |
| C36 | NL | C37 | H37 | 33.9° | 35.1° |
| OH2 | C33 | C31 | CB | 80.6° | 42.3° |
| OH2 | C33 | C31 | H33 | 115.9° | 120.0° |
| OH2 | C33 | C31 | H31 | 44.8° | 162.3° |
| HO2 | OH2 | C33 | C31 | 58.3° | 65.0° |
| HO2 | OH2 | C33 | H33 | 64.0° | 175.0° |
| CB | C31 | C33 | H31 | 125.4° | 120.0° |
| C31 | CB | HBA | HBB | 125.2° | 120.0° |
| C31 | CB | HBA | HBC | 125.3° | 120.1° |
| C31 | CB | HBB | HBC | 122.3° | 120.0° |
| CB | C31 | C33 | H33 | 35.3° | 162.3° |
| C33 | C31 | CB | HBA | 62.3° | 65.9° |
| C33 | C31 | CB | HBB | 62.9° | 174.1° |
| C33 | C31 | CB | HBC | 172.4° | 54.2° |
| H31 | C31 | CB | HBA | 55.9° | 174.2° |
| H31 | C31 | CB | HBB | 178.9° | 54.2° |
| H31 | C31 | CB | HBC | 69.5° | 65.8° |
| H31 | C31 | C33 | H33 | 160.7° | 77.7° |
| HBA | CB | HBB | HBC | 122.3° | 119.9° |
| HCB | CC | HCC | HCA | 114.9° | 120.0° |
| NL | C37 | C40 | C38 | 124.5° | 120.0° |
| NL | C37 | C40 | H37 | 117.0° | 120.0° |
| NL | C37 | C38 | H37 | 117.5° | 120.0° |
| NL | C37 | C40 | O40 | 62.2° | 4.9° |
| NL | C37 | C40 | NM | 119.2° | 175.1° |
| NL | C37 | C38 | OH3 | 70.0° | 69.5° |
| NL | C37 | C38 | CD | 51.4° | 50.5° |
| NL | C37 | C38 | H38 | 172.3° | 170.5° |
| HNL | NL | C37 | C40 | 30.6° | 25.1° |
| HNL | NL | C37 | C38 | 95.2° | 94.9° |
| HNL | NL | C37 | H37 | 146.0° | 145.1° |
| C40 | C37 | C38 | H37 | 115.6° | 120.0° |
| C37 | C40 | O40 | NM | 178.5° | 179.9° |
| C40 | C37 | C38 | OH3 | 56.9° | 50.5° |
| C40 | C37 | C38 | CD | 178.3° | 170.5° |
| C40 | C37 | C38 | H38 | 60.8° | 69.5° |
| C37 | C40 | NM | C41 | 175.4° | 175.0° |
| C37 | C40 | NM | HNM | 4.6° | 5.1° |
| C38 | C37 | C40 | O40 | 62.3° | 124.9° |
| C38 | C37 | C40 | NM | 116.3° | 55.0° |
| C37 | C38 | OH3 | CD | 124.6° | 120.0° |
| C37 | C38 | OH3 | H38 | 114.1° | 120.0° |
| C37 | C38 | CD | H38 | 114.5° | 120.0° |
| C37 | C38 | OH3 | HO3 | 180.0° | 60.0° |
| C37 | C38 | CD | HDB | 180.0° | 65.0° |
| C37 | C38 | CD | HDC | 54.7° | 55.0° |
| C37 | C38 | CD | HDA | 54.8° | 175.0° |
| H37 | C37 | C40 | O40 | 179.2° | 115.1° |
| H37 | C37 | C40 | NM | 2.2° | 65.0° |
| H37 | C37 | C38 | OH3 | 172.5° | 170.5° |
| H37 | C37 | C38 | CD | 66.1° | 69.5° |
| H37 | C37 | C38 | H38 | 54.8° | 50.5° |
| O40 | C40 | NM | C41 | 6.1° | 4.9° |
| O40 | C40 | NM | HNM | 173.9° | 175.0° |
| C40 | NM | C41 | HNM | 180.0° | 179.9° |
| C40 | NM | C41 | C42 | 116.9° | 180.0° |
| C40 | NM | C41 | H1E | 117.8° | 60.1° |
| C40 | NM | C41 | H1X | 8.3° | 60.0° |
| OH3 | C38 | CD | H38 | 118.6° | 120.0° |
| OH3 | C38 | CD | HDB | 53.1° | 175.0° |
| OH3 | C38 | CD | HDC | 178.4° | 64.9° |
| OH3 | C38 | CD | HDA | 72.1° | 55.0° |
| CD | C38 | OH3 | HO3 | 55.4° | 180.0° |
| C38 | CD | HDB | HDC | 125.2° | 120.1° |
| C38 | CD | HDB | HDA | 125.2° | 120.0° |
| C38 | CD | HDC | HDA | 117.2° | 120.0° |
| H38 | C38 | OH3 | HO3 | 65.9° | 60.0° |
| H38 | C38 | CD | HDB | 65.6° | 55.0° |
| H38 | C38 | CD | HDC | 59.7° | 175.1° |
| H38 | C38 | CD | HDA | 169.2° | 65.0° |
| HDB | CD | HDC | HDA | 117.2° | 119.9° |
| NM | C41 | C42 | C43 | 172.3° | 180.0° |
| NM | C41 | C42 | H1E | 125.3° | 119.9° |
| NM | C41 | C42 | H1X | 125.3° | 120.0° |
| NM | C41 | C42 | H2E | 47.1° | 60.0° |
| NM | C41 | C42 | H2X | 62.4° | 60.0° |
| NM | C41 | H1E | H1X | 118.4° | 120.0° |
| HNM | NM | C41 | C42 | 63.1° | 0.1° |
| HNM | NM | C41 | H1E | 62.2° | 120.0° |
| HNM | NM | C41 | H1X | 171.7° | 119.9° |
| C43 | C42 | C41 | H2E | 125.3° | 120.0° |
| C43 | C42 | C41 | H2X | 125.2° | 120.0° |
| C43 | C42 | H2E | H2X | 116.4° | 120.0° |
| C42 | C43 | S43 | NN | 178.1° | 179.7° |
| C43 | C42 | C41 | H1E | 47.0° | 60.1° |
| C43 | C42 | C41 | H1X | 62.3° | 60.0° |
| C42 | C43 | S43 | C44 | 179.1° | 180.0° |
| C42 | C43 | NN | C45 | 179.4° | 179.8° |
| C41 | C42 | H2E | H2X | 116.3° | 120.0° |
| C41 | C42 | C43 | S43 | 155.0° | 90.0° |
| C41 | C42 | C43 | NN | 27.1° | 89.7° |
| C42 | C41 | H1E | H1X | 118.3° | 120.0° |
| H2E | C42 | C43 | S43 | 79.7° | 150.0° |
| H2E | C42 | C43 | NN | 98.1° | 30.3° |
| H2E | C42 | C41 | H1E | 78.2° | 180.0° |
| H2E | C42 | C41 | H1X | 172.4° | 60.0° |
| H2X | C42 | C43 | S43 | 29.8° | 30.0° |
| H2X | C42 | C43 | NN | 152.4° | 150.3° |
| H2X | C42 | C41 | H1E | 172.3° | 59.9° |
| H2X | C42 | C41 | H1X | 62.9° | 180.0° |
| O49 | C49 | C48 | NP | 179.3° | 179.9° |
| O49 | C49 | C48 | C47 | 4.6° | 0.0° |
| O49 | C49 | C48 | NO | 176.2° | 179.7° |
| O49 | C49 | NP | C50 | 8.1° | 0.1° |
| O49 | C49 | NP | HNP | 171.9° | 180.0° |
| C49 | C48 | C47 | NO | 179.3° | 179.8° |
| C49 | C48 | C47 | S46 | 179.5° | 179.9° |
| C49 | C48 | C47 | H47 | 0.5° | 0.0° |
| C49 | C48 | NO | C46 | 179.6° | 179.7° |
| C48 | C49 | NP | C50 | 171.2° | 180.0° |
| C48 | C49 | NP | HNP | 8.8° | 0.1° |
| NP | C49 | C48 | C47 | 174.7° | 179.9° |
| NP | C49 | C48 | NO | 4.6° | 0.2° |
| C49 | NP | C50 | HNP | 179.9° | 179.9° |
| C49 | NP | C50 | C51 | 159.8° | 180.0° |
| C49 | NP | C50 | H501 | 74.9° | 60.0° |
| C49 | NP | C50 | H502 | 34.6° | 60.0° |
| C43 | S43 | C44 | C45 | 3.3° | 0.0° |
| C43 | S43 | C44 | H44 | 176.7° | 180.0° |
| S43 | C43 | NN | C45 | 1.3° | 0.4° |
| NN | C43 | S43 | C44 | 2.8° | 0.2° |
| C43 | NN | C45 | C44 | 1.3° | 0.5° |
| C43 | NN | C45 | C46 | 179.2° | 179.7° |
| S43 | C44 | C45 | H44 | 180.0° | 180.0° |
| S43 | C44 | C45 | NN | 3.3° | 0.2° |
| S43 | C44 | C45 | C46 | 178.9° | 180.0° |
| C44 | C45 | NN | C46 | 177.9° | 179.8° |
| C44 | C45 | C46 | NO | 1.7° | 0.2° |
| C44 | C45 | C46 | S46 | 179.1° | 179.9° |
| H44 | C44 | C45 | NN | 176.7° | 179.8° |
| H44 | C44 | C45 | C46 | 1.1° | 0.1° |
| NN | C45 | C46 | NO | 179.4° | 179.9° |
| NN | C45 | C46 | S46 | 1.4° | 0.2° |
| C45 | C46 | S46 | C47 | 179.2° | 180.0° |
| C45 | C46 | NO | C48 | 179.1° | 179.8° |
| C45 | C46 | NO | S46 | 179.3° | 179.8° |
| C48 | C47 | S46 | H47 | 180.0° | 179.9° |
| C47 | C48 | NO | C46 | 0.3° | 0.6° |
| C48 | C47 | S46 | C46 | 0.1° | 0.0° |
| S46 | C47 | C48 | NO | 0.2° | 0.3° |
| C47 | S46 | C46 | NO | 0.0° | 0.2° |
| H47 | C47 | C48 | NO | 179.8° | 179.8° |
| H47 | C47 | S46 | C46 | 179.9° | 179.9° |
| C48 | NO | C46 | S46 | 0.2° | 0.4° |
| NP | C50 | C51 | H501 | 125.3° | 120.0° |
| NP | C50 | C51 | H502 | 125.2° | 120.0° |
| NP | C50 | H501 | H502 | 119.5° | 120.0° |
| NP | C50 | C51 | C52 | 68.5° | 180.0° |
| NP | C50 | C51 | H511 | 166.2° | 60.0° |
| NP | C50 | C51 | H512 | 56.8° | 60.0° |
| HNP | NP | C50 | C51 | 20.1° | 0.0° |
| HNP | NP | C50 | H501 | 105.1° | 120.0° |
| HNP | NP | C50 | H502 | 145.4° | 120.0° |
| C51 | C50 | H501 | H502 | 119.5° | 120.0° |
| C50 | C51 | C52 | H511 | 125.3° | 120.0° |
| C50 | C51 | C52 | H512 | 125.3° | 120.0° |
| C50 | C51 | H511 | H512 | 117.1° | 120.0° |
| C50 | C51 | C52 | C53 | 176.6° | 180.0° |
| C50 | C51 | C52 | H521 | 58.2° | 60.0° |
| C50 | C51 | C52 | H522 | 51.3° | 60.0° |
| H501 | C50 | C51 | C52 | 56.8° | 60.0° |
| H501 | C50 | C51 | H511 | 68.5° | 179.9° |
| H501 | C50 | C51 | H512 | 178.0° | 60.0° |
| H502 | C50 | C51 | C52 | 166.3° | 60.0° |
| H502 | C50 | C51 | H511 | 41.0° | 60.0° |
| H502 | C50 | C51 | H512 | 68.5° | 180.0° |
| C52 | C51 | H511 | H512 | 117.0° | 120.0° |
| C51 | C52 | C53 | H521 | 125.2° | 120.1° |
| C51 | C52 | C53 | H522 | 125.2° | 120.0° |
| C51 | C52 | H521 | H522 | 118.1° | 120.0° |
| C51 | C52 | C53 | NR | 132.0° | 180.0° |
| C51 | C52 | C53 | H531 | 6.7° | 60.0° |
| C51 | C52 | C53 | H532 | 102.7° | 60.0° |
| H511 | C51 | C52 | C53 | 51.3° | 60.0° |
| H511 | C51 | C52 | H521 | 176.5° | 179.9° |
| H511 | C51 | C52 | H522 | 74.0° | 60.0° |
| H512 | C51 | C52 | C53 | 58.1° | 60.0° |
| H512 | C51 | C52 | H521 | 67.1° | 60.0° |
| H512 | C51 | C52 | H522 | 176.6° | 180.0° |
| C53 | C52 | H521 | H522 | 118.1° | 120.0° |
| C52 | C53 | NR | H531 | 125.2° | 120.0° |
| C52 | C53 | NR | H532 | 125.3° | 120.0° |
| C52 | C53 | H531 | H532 | 116.0° | 120.0° |
| C52 | C53 | NR | C54 | 69.7° | 180.0° |
| C52 | C53 | NR | HNR | 55.6° | 0.0° |
| H521 | C52 | C53 | NR | 102.7° | 60.0° |
| H521 | C52 | C53 | H531 | 132.0° | 180.0° |
| H521 | C52 | C53 | H532 | 22.6° | 60.0° |
| H522 | C52 | C53 | NR | 6.8° | 60.0° |
| H522 | C52 | C53 | H531 | 118.5° | 60.0° |
| H522 | C52 | C53 | H532 | 132.1° | NaN° |
| NR | C53 | H531 | H532 | 116.0° | 120.0° |
| C53 | NR | C54 | HNR | 125.2° | 179.9° |
| C53 | NR | C54 | NS | 9.2° | 0.0° |
| C53 | NR | C54 | NT | 170.0° | 180.0° |
| H531 | C53 | NR | C54 | 55.5° | 60.0° |
| H531 | C53 | NR | HNR | 179.2° | 120.1° |
| H532 | C53 | NR | C54 | 165.0° | 60.0° |
| H532 | C53 | NR | HNR | 69.7° | 119.9° |
| NR | C54 | NS | NT | 179.2° | 180.0° |
| NR | C54 | NS | HNS1 | 0.8° | 0.1° |
| NR | C54 | NS | HNS2 | 180.0° | 180.0° |
| NR | C54 | NT | HNT1 | 180.0° | 180.0° |
| NR | C54 | NT | HNT2 | 54.7° | 0.0° |
| NS | C54 | NR | HNR | 116.0° | 179.9° |
| C54 | NS | HNS1 | HNS2 | 179.2° | 179.9° |
| NS | C54 | NT | HNT1 | 0.7° | 0.0° |
| NS | C54 | NT | HNT2 | 126.0° | 180.0° |
| NT | C54 | NR | HNR | 64.8° | 0.1° |
| NT | C54 | NS | HNS1 | 180.0° | 180.0° |
| NT | C54 | NS | HNS2 | 0.8° | 0.0° |
| C54 | NT | HNT1 | HNT2 | 125.2° | 180.0° |
| O59 | C59 | C58 | O58 | 63.7° | 173.9° |
| O59 | C59 | C60 | C61 | 11.8° | 61.4° |
| O59 | C59 | C60 | O62 | 134.0° | 58.8° |
| O59 | C59 | C60 | C58 | 130.3° | 120.0° |
| O59 | C59 | C60 | H59 | 114.7° | 120.1° |
| O59 | C59 | C60 | H60 | 113.3° | 178.8° |
| O59 | C59 | C58 | C57 | 163.7° | 66.2° |
| O59 | C59 | C58 | H59 | 114.2° | 120.2° |
| O59 | C59 | C58 | H58 | 49.7° | 53.5° |
| HO59 | O59 | C59 | C60 | 180.0° | 59.9° |
| HO59 | O59 | C59 | C58 | 51.2° | 179.6° |
| HO59 | O59 | C59 | H59 | 63.3° | 60.2° |
| O58 | C58 | C57 | O56 | 12.9° | 53.9° |
| O58 | C58 | C59 | C60 | 167.3° | 66.2° |
| O58 | C58 | C57 | C63 | 146.0° | 66.0° |
| O58 | C58 | C57 | C59 | 131.8° | 119.8° |
| O58 | C58 | C57 | H58 | 113.0° | 120.5° |
| O58 | C58 | C57 | H57 | 101.2° | 174.1° |
| O58 | C58 | C59 | H58 | 113.4° | 120.4° |
| O58 | C58 | C59 | H59 | 50.5° | 53.7° |
| HO58 | O58 | C58 | C57 | 180.0° | 179.2° |
| HO58 | O58 | C58 | C59 | 48.4° | 60.1° |
| HO58 | O58 | C58 | H58 | 66.6° | 60.3° |
| O61 | C61 | C60 | H611 | 125.3° | 120.0° |
| O61 | C61 | C60 | H612 | 125.3° | 120.0° |
| O61 | C61 | H611 | H612 | 115.6° | 120.0° |
| O61 | C61 | C60 | O62 | 64.6° | 65.0° |
| O61 | C61 | C60 | C59 | 83.0° | 174.7° |
| O61 | C61 | C60 | H60 | 178.4° | 54.9° |
| C60 | C61 | H611 | H612 | 115.5° | 120.0° |
| C60 | C61 | O61 | HO61 | 180.0° | 180.0° |
| C61 | C60 | O62 | C59 | 149.8° | 120.1° |
| C61 | C60 | O62 | H60 | 110.5° | 119.9° |
| C61 | C60 | C59 | H60 | 101.5° | 119.8° |
| C61 | C60 | O62 | C63 | 156.1° | 172.4° |
| C61 | C60 | C59 | C58 | 142.0° | 178.7° |
| C61 | C60 | C59 | H59 | 102.9° | 58.8° |
| H611 | C61 | O61 | HO61 | 54.7° | 60.0° |
| H611 | C61 | C60 | O62 | 60.7° | 55.0° |
| H611 | C61 | C60 | C59 | 151.6° | 65.3° |
| H611 | C61 | C60 | H60 | 56.3° | 174.9° |
| H612 | C61 | O61 | HO61 | 54.7° | 60.0° |
| H612 | C61 | C60 | O62 | 170.1° | 175.0° |
| H612 | C61 | C60 | C59 | 42.2° | 54.6° |
| H612 | C61 | C60 | H60 | 53.1° | 65.2° |
| O56 | C57 | C63 | O62 | 174.8° | 178.8° |
| O56 | C57 | C63 | C58 | 136.6° | 119.9° |
| O56 | C57 | C63 | H57 | 116.8° | 120.1° |
| O56 | C57 | C63 | H63 | 62.4° | 58.7° |
| O56 | C57 | C58 | H57 | 114.1° | 120.1° |
| O56 | C57 | C58 | C59 | 118.9° | 173.7° |
| O56 | C57 | C58 | H58 | 125.9° | 66.6° |
| C57 | O56 | C64 | C69 | 158.7° | 142.3° |
| C57 | O56 | C64 | O64 | 74.0° | 97.4° |
| C57 | O56 | C64 | H64 | 41.8° | 22.5° |
| C64 | O56 | C57 | C63 | 103.4° | 94.7° |
| C64 | O56 | C57 | C58 | 119.4° | 145.6° |
| C64 | O56 | C57 | H57 | 12.5° | 25.5° |
| O56 | C64 | C69 | C68 | 81.3° | 58.8° |
| O56 | C64 | C69 | O64 | 127.6° | 120.1° |
| O56 | C64 | C69 | H64 | 116.6° | 119.9° |
| O56 | C64 | C69 | O69 | 152.1° | 178.8° |
| O56 | C64 | C69 | H69 | 34.7° | 61.1° |
| O56 | C64 | O64 | C65 | 72.0° | 52.5° |
| O56 | C64 | O64 | H64 | 116.4° | 119.9° |
| O62 | C60 | C59 | H60 | 112.7° | 120.1° |
| C60 | O62 | C63 | C57 | 72.6° | 67.6° |
| C60 | O62 | C63 | H63 | 167.0° | 172.4° |
| O62 | C60 | C59 | C58 | 3.8° | 61.2° |
| O62 | C60 | C59 | H59 | 111.3° | 178.9° |
| C59 | C60 | O62 | C63 | 54.2° | 67.6° |
| C60 | C59 | C58 | C57 | 34.6° | 53.7° |
| C60 | C59 | C58 | H59 | 116.8° | 119.9° |
| C60 | C59 | C58 | H58 | 79.4° | 173.4° |
| H60 | C60 | O62 | C63 | 45.6° | 52.5° |
| H60 | C60 | C59 | C58 | 116.4° | 58.9° |
| H60 | C60 | C59 | H59 | 1.4° | 61.1° |
| O62 | C63 | C57 | H63 | 122.9° | 120.1° |
| O62 | C63 | C57 | C58 | 38.1° | 61.3° |
| O62 | C63 | C57 | H57 | 68.5° | 58.6° |
| C63 | C57 | C58 | H57 | 112.8° | 120.0° |
| C63 | C57 | C58 | C59 | 14.2° | 53.8° |
| C63 | C57 | C58 | H58 | 101.0° | 173.5° |
| H63 | C63 | C57 | C58 | 161.0° | 178.6° |
| H63 | C63 | C57 | H57 | 54.4° | 61.4° |
| C57 | C58 | C59 | H58 | 114.0° | 119.7° |
| C57 | C58 | C59 | H59 | 82.2° | 173.6° |
| H57 | C57 | C58 | C59 | 127.0° | 66.2° |
| H57 | C57 | C58 | H58 | 11.8° | 53.6° |
| H58 | C58 | C59 | H59 | 163.9° | 66.7° |
| C68 | C69 | C64 | O69 | 126.6° | 120.0° |
| C68 | C69 | C64 | H69 | 116.0° | 119.8° |
| C68 | C69 | O69 | H69 | 115.9° | 120.2° |
| C69 | C68 | C67 | O68 | 121.9° | 119.9° |
| C69 | C68 | C67 | H68 | 119.5° | 119.8° |
| C69 | C68 | O68 | H68 | 119.8° | 120.4° |
| C69 | C68 | C67 | C65 | 50.6° | 53.8° |
| C69 | C68 | C67 | O67 | 169.9° | 173.7° |
| C69 | C68 | C67 | H67 | 71.3° | 66.1° |
| C68 | C69 | C64 | O64 | 46.2° | 61.3° |
| C68 | C69 | C64 | H64 | 162.1° | 178.6° |
| C69 | C68 | O68 | C70 | 157.3° | 90.8° |
| C68 | C69 | O69 | HO69 | 180.0° | 175.0° |
| C64 | C69 | O69 | H69 | 117.9° | 120.1° |
| C64 | C69 | C68 | C67 | 46.1° | 53.8° |
| C64 | C69 | C68 | O68 | 171.0° | 173.6° |
| C64 | C69 | C68 | H68 | 70.0° | 66.0° |
| C69 | C64 | O64 | C65 | 54.8° | 67.6° |
| C69 | C64 | O64 | H64 | 116.8° | 120.0° |
| C64 | C69 | O69 | HO69 | 53.8° | 55.3° |
| O69 | C69 | C68 | C67 | 79.1° | 66.2° |
| O69 | C69 | C68 | O68 | 45.8° | 53.6° |
| O69 | C69 | C68 | H68 | 164.8° | 174.0° |
| O69 | C69 | C64 | O64 | 80.3° | 58.7° |
| O69 | C69 | C64 | H64 | 35.5° | 61.4° |
| H69 | C69 | C68 | C67 | 163.7° | 173.6° |
| H69 | C69 | C68 | O68 | 71.3° | 66.6° |
| H69 | C69 | C68 | H68 | 47.6° | 53.8° |
| H69 | C69 | C64 | O64 | 162.2° | 178.8° |
| H69 | C69 | C64 | H64 | 81.9° | 58.8° |
| H69 | C69 | O69 | HO69 | 64.0° | 64.8° |
| C67 | C68 | O68 | H68 | 116.0° | 120.4° |
| C68 | C67 | C65 | O67 | 124.7° | 119.9° |
| C68 | C67 | C65 | H67 | 116.1° | 119.9° |
| C68 | C67 | O67 | H67 | 115.9° | 120.2° |
| C68 | C67 | C65 | O64 | 55.0° | 61.3° |
| C68 | C67 | C65 | C66 | 178.9° | 178.7° |
| C68 | C67 | C65 | H65 | 63.9° | 58.8° |
| C67 | C68 | O68 | C70 | 78.5° | 150.0° |
| C68 | C67 | O67 | HO67 | 180.0° | 179.5° |
| O68 | C68 | C67 | C65 | 172.5° | 173.7° |
| O68 | C68 | C67 | O67 | 68.2° | 66.5° |
| O68 | C68 | C67 | H67 | 50.6° | 53.8° |
| C68 | O68 | C70 | NQ | 149.1° | 180.0° |
| C68 | O68 | C70 | O70 | 4.3° | 0.0° |
| H68 | C68 | C67 | C65 | 68.9° | 66.0° |
| H68 | C68 | C67 | O67 | 50.4° | 53.9° |
| H68 | C68 | C67 | H67 | 169.2° | 174.1° |
| H68 | C68 | O68 | C70 | 37.5° | 29.6° |
| C65 | C67 | O67 | H67 | 122.1° | 120.2° |
| C67 | C65 | O64 | C66 | 124.7° | 120.0° |
| C67 | C65 | O64 | H65 | 118.0° | 120.1° |
| C67 | C65 | C66 | H65 | 117.8° | 119.9° |
| C67 | C65 | O64 | C64 | 59.1° | 67.6° |
| C65 | C67 | O67 | HO67 | 57.9° | 60.0° |
| C67 | C65 | C66 | O66 | 177.4° | 179.0° |
| C67 | C65 | C66 | H661 | 57.3° | 59.0° |
| C67 | C65 | C66 | H662 | 52.1° | 61.0° |
| O67 | C67 | C65 | O64 | 179.6° | 178.8° |
| O67 | C67 | C65 | C66 | 56.4° | 58.8° |
| O67 | C67 | C65 | H65 | 60.8° | 61.1° |
| H67 | C67 | C65 | O64 | 61.1° | 58.6° |
| H67 | C67 | C65 | C66 | 62.8° | 61.5° |
| H67 | C67 | C65 | H65 | 180.0° | 178.7° |
| H67 | C67 | O67 | HO67 | 64.1° | 60.2° |
| O64 | C65 | C66 | H65 | 118.8° | 119.9° |
| C65 | O64 | C64 | H64 | 171.6° | 172.4° |
| O64 | C65 | C66 | O66 | 54.0° | 60.7° |
| O64 | C65 | C66 | H661 | 179.3° | 179.3° |
| O64 | C65 | C66 | H662 | 71.3° | 59.3° |
| C66 | C65 | O64 | C64 | 176.2° | 172.4° |
| C65 | C66 | O66 | H661 | 125.2° | 120.0° |
| C65 | C66 | O66 | H662 | 125.3° | 120.0° |
| C65 | C66 | O66 | HO66 | 180.0° | 173.2° |
| C65 | C66 | H661 | H662 | 115.4° | 120.0° |
| H65 | C65 | O64 | C64 | 58.8° | 52.5° |
| H65 | C65 | C66 | O66 | 64.8° | 59.2° |
| H65 | C65 | C66 | H661 | 60.5° | 60.8° |
| H65 | C65 | C66 | H662 | 169.9° | 179.1° |
| O68 | C70 | NQ | O70 | 154.0° | 180.0° |
| O68 | C70 | NQ | HNQ1 | 26.0° | 0.0° |
| O68 | C70 | NQ | HNQ2 | 180.0° | 179.9° |
| C70 | NQ | HNQ1 | HNQ2 | 152.0° | 179.9° |
| HNQ1 | NQ | C70 | O70 | 180.0° | 180.0° |
| HNQ2 | NQ | C70 | O70 | 25.9° | 0.0° |
| O66 | C66 | H661 | H662 | 115.5° | 120.0° |
| HO66 | O66 | C66 | H661 | 54.7° | 53.3° |
| HO66 | O66 | C66 | H662 | 54.8° | 66.8° |
