52G
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O1 | C1 | doub | 1.21Å | 1.24Å | |
| C1 | C2 | sing | 1.51Å | 1.59Å | |
| C1 | NA | sing | 1.35Å | 1.30Å | |
| C2 | C3 | sing | 1.53Å | 1.68Å | |
| C2 | NB | sing | 1.47Å | 1.32Å | |
| C3 | NC | sing | 1.47Å | 1.47Å | |
| C4 | O4 | doub | 1.21Å | 1.24Å | |
| C4 | C5 | sing | 1.51Å | 1.57Å | |
| C4 | ND | sing | 1.35Å | 1.29Å | |
| C5 | C6 | sing | 1.53Å | 1.53Å | |
| C6 | C7 | sing | 1.51Å | 1.43Å | |
| C6 | NC | sing | 1.47Å | 1.47Å | |
| C7 | NG | doub | 1.32Å | 1.35Å | Aromatic |
| C7 | NE | sing | 1.32Å | 1.34Å | Aromatic |
| C8 | C9 | sing | 1.40Å | 1.41Å | Aromatic |
| C8 | NF | sing | 1.39Å | 1.32Å | |
| C8 | NE | doub | 1.33Å | 1.37Å | Aromatic |
| C9 | C10 | doub | 1.39Å | 1.40Å | Aromatic |
| C9 | CA | sing | 1.51Å | 1.43Å | |
| C10 | C12 | sing | 1.48Å | 1.43Å | |
| C10 | NG | sing | 1.33Å | 1.33Å | Aromatic |
| O12 | C12 | doub | 1.21Å | 1.26Å | |
| NQ | C70 | sing | 1.35Å | 1.34Å | |
| C70 | O70 | doub | 1.21Å | 1.24Å | |
| C70 | O68 | sing | 1.35Å | 1.38Å | |
| O68 | C68 | sing | 1.45Å | 1.43Å | |
| C68 | C69 | sing | 1.53Å | 1.56Å | |
| C68 | C67 | sing | 1.53Å | 1.48Å | |
| C69 | O69 | sing | 1.43Å | 1.42Å | |
| C69 | C64 | sing | 1.53Å | 1.51Å | |
| C67 | O67 | sing | 1.43Å | 1.43Å | |
| C67 | C65 | sing | 1.53Å | 1.51Å | |
| C65 | C66 | sing | 1.53Å | 1.51Å | |
| C65 | O64 | sing | 1.43Å | 1.43Å | |
| C66 | O66 | sing | 1.43Å | 1.42Å | |
| O64 | C64 | sing | 1.43Å | 1.44Å | |
| C64 | O56 | sing | 1.43Å | 1.41Å | |
| O56 | C57 | sing | 1.43Å | 1.42Å | |
| C57 | C58 | sing | 1.53Å | 1.54Å | |
| C57 | C63 | sing | 1.53Å | 1.52Å | |
| C58 | O58 | sing | 1.43Å | 1.46Å | |
| C58 | C59 | sing | 1.53Å | 1.53Å | |
| C59 | O59 | sing | 1.43Å | 1.46Å | |
| C59 | C60 | sing | 1.53Å | 1.51Å | |
| C60 | C61 | sing | 1.53Å | 1.53Å | |
| C60 | O62 | sing | 1.43Å | 1.40Å | |
| O62 | C63 | sing | 1.43Å | 1.48Å | |
| C63 | OH1 | sing | 1.43Å | 1.45Å | |
| OH1 | C14 | sing | 1.43Å | 1.47Å | |
| C14 | C27 | sing | 1.51Å | 1.50Å | |
| C14 | C13 | sing | 1.53Å | 1.53Å | |
| C27 | NJ | sing | 1.34Å | 1.34Å | Aromatic |
| C27 | C28 | doub | 1.35Å | 1.34Å | Aromatic |
| NJ | C29 | doub | 1.30Å | 1.33Å | Aromatic |
| C29 | NI | sing | 1.35Å | 1.33Å | Aromatic |
| NI | C28 | sing | 1.37Å | 1.33Å | Aromatic |
| C13 | NH | sing | 1.47Å | 1.45Å | |
| C13 | C30 | sing | 1.51Å | 1.53Å | |
| NH | C12 | sing | 1.35Å | 1.34Å | |
| C30 | O30 | doub | 1.21Å | 1.23Å | |
| C30 | NK | sing | 1.35Å | 1.32Å | |
| NK | C31 | sing | 1.46Å | 1.47Å | |
| C31 | CB | sing | 1.53Å | 1.52Å | |
| C31 | C33 | sing | 1.53Å | 1.55Å | |
| CB | C96 | sing | 1.53Å | 1.53Å | |
| C96 | O97 | sing | 1.43Å | 1.45Å | |
| C33 | OH2 | sing | 1.43Å | 1.44Å | |
| C33 | C34 | sing | 1.53Å | 1.53Å | |
| C34 | CC | sing | 1.53Å | 1.54Å | |
| C34 | C36 | sing | 1.51Å | 1.57Å | |
| C36 | O36 | doub | 1.21Å | 1.21Å | |
| C36 | NL | sing | 1.35Å | 1.35Å | |
| NL | C37 | sing | 1.46Å | 1.49Å | |
| C37 | C38 | sing | 1.53Å | 1.53Å | |
| C37 | C40 | sing | 1.51Å | 1.52Å | |
| C38 | CD | sing | 1.53Å | 1.53Å | |
| C38 | C98 | sing | 1.53Å | 1.54Å | |
| C38 | OH3 | sing | 1.43Å | 1.46Å | |
| C40 | O40 | doub | 1.21Å | 1.23Å | |
| C40 | NM | sing | 1.35Å | 1.35Å | |
| NM | C41 | sing | 1.46Å | 1.50Å | |
| C41 | C42 | sing | 1.53Å | 1.55Å | |
| C42 | C43 | sing | 1.51Å | 1.57Å | |
| C43 | NN | doub | 1.27Å | 1.50Å | |
| C43 | S43 | sing | 1.77Å | 1.78Å | |
| NN | C45 | sing | 1.45Å | 1.48Å | |
| S43 | C44 | sing | 1.82Å | 1.77Å | |
| C44 | C45 | sing | 1.54Å | 1.49Å | |
| C45 | C46 | sing | 1.51Å | 1.54Å | |
| C46 | NO | doub | 1.29Å | 1.32Å | Aromatic |
| C46 | S46 | sing | 1.71Å | 1.67Å | Aromatic |
| NO | C48 | sing | 1.34Å | 1.35Å | Aromatic |
| S46 | C47 | sing | 1.71Å | 1.61Å | Aromatic |
| C47 | C48 | doub | 1.35Å | 1.34Å | Aromatic |
| C48 | C49 | sing | 1.47Å | 1.33Å | |
| C49 | O49 | doub | 1.22Å | 1.23Å | |
| C49 | NP | sing | 1.35Å | 1.34Å | |
| NP | C50 | sing | 1.47Å | 1.48Å | |
| C50 | C51 | sing | 1.53Å | 1.51Å | |
| C51 | C52 | sing | 1.51Å | 1.54Å | |
| C52 | N99 | doub | 1.29Å | 1.34Å | |
| C52 | N53 | sing | 1.37Å | 1.31Å | |
| C2 | H1 | sing | 1.09Å | 1.10Å | |
| C3 | H2 | sing | 1.09Å | 1.10Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C5 | H4 | sing | 1.09Å | 1.10Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| NQ | H7 | sing | 0.97Å | 1.00Å | |
| NQ | H8 | sing | 0.97Å | 1.00Å | |
| C68 | H9 | sing | 1.09Å | 1.10Å | |
| C69 | H10 | sing | 1.09Å | 1.10Å | |
| O69 | H11 | sing | 0.97Å | 0.95Å | |
| C67 | H12 | sing | 1.09Å | 1.10Å | |
| O67 | H13 | sing | 0.97Å | 0.95Å | |
| C65 | H14 | sing | 1.09Å | 1.10Å | |
| C66 | H15 | sing | 1.09Å | 1.10Å | |
| C66 | H16 | sing | 1.09Å | 1.10Å | |
| O66 | H17 | sing | 0.97Å | 0.95Å | |
| C64 | H18 | sing | 1.09Å | 1.10Å | |
| C57 | H19 | sing | 1.09Å | 1.10Å | |
| C58 | H20 | sing | 1.09Å | 1.10Å | |
| O58 | H21 | sing | 0.97Å | 0.95Å | |
| C59 | H22 | sing | 1.09Å | 1.10Å | |
| O59 | H23 | sing | 0.97Å | 0.95Å | |
| C60 | H24 | sing | 1.09Å | 1.10Å | |
| C61 | H25 | sing | 1.09Å | 1.10Å | |
| C61 | H26 | sing | 1.09Å | 1.10Å | |
| C61 | H27 | sing | 1.09Å | 1.10Å | |
| C63 | H28 | sing | 1.09Å | 1.10Å | |
| C14 | H29 | sing | 1.09Å | 1.10Å | |
| C29 | H31 | sing | 1.08Å | 1.08Å | |
| NI | H32 | sing | 0.97Å | 1.00Å | |
| C28 | H33 | sing | 1.08Å | 1.08Å | |
| C13 | H34 | sing | 1.09Å | 1.10Å | |
| NH | H35 | sing | 0.97Å | 1.00Å | |
| CA | H36 | sing | 1.09Å | 1.10Å | |
| CA | H37 | sing | 1.09Å | 1.10Å | |
| CA | H38 | sing | 1.09Å | 1.10Å | |
| NF | H39 | sing | 0.97Å | 1.00Å | |
| NF | H40 | sing | 0.97Å | 1.00Å | |
| ND | H41 | sing | 0.97Å | 1.00Å | |
| ND | H42 | sing | 0.97Å | 1.00Å | |
| NC | H43 | sing | 1.01Å | 1.00Å | |
| NB | H45 | sing | 1.01Å | 1.00Å | |
| NB | H46 | sing | 1.01Å | 1.00Å | |
| NA | H48 | sing | 0.97Å | 1.00Å | |
| NA | H49 | sing | 0.97Å | 1.00Å | |
| NK | H50 | sing | 0.97Å | 1.00Å | |
| C31 | H51 | sing | 1.09Å | 1.10Å | |
| CB | H52 | sing | 1.09Å | 1.10Å | |
| CB | H53 | sing | 1.09Å | 1.10Å | |
| C96 | H54 | sing | 1.09Å | 1.10Å | |
| C96 | H55 | sing | 1.09Å | 1.10Å | |
| O97 | H56 | sing | 0.97Å | 0.95Å | |
| C33 | H57 | sing | 1.09Å | 1.10Å | |
| OH2 | H58 | sing | 0.97Å | 0.95Å | |
| C34 | H59 | sing | 1.09Å | 1.10Å | |
| CC | H60 | sing | 1.09Å | 1.10Å | |
| CC | H61 | sing | 1.09Å | 1.10Å | |
| CC | H62 | sing | 1.09Å | 1.10Å | |
| NL | H63 | sing | 0.97Å | 1.00Å | |
| C37 | H64 | sing | 1.09Å | 1.10Å | |
| CD | H65 | sing | 1.09Å | 1.10Å | |
| CD | H66 | sing | 1.09Å | 1.10Å | |
| CD | H67 | sing | 1.09Å | 1.10Å | |
| C98 | H68 | sing | 1.09Å | 1.10Å | |
| C98 | H69 | sing | 1.09Å | 1.10Å | |
| C98 | H70 | sing | 1.09Å | 1.10Å | |
| OH3 | H71 | sing | 0.97Å | 0.95Å | |
| NM | H72 | sing | 0.97Å | 1.00Å | |
| C41 | H73 | sing | 1.09Å | 1.10Å | |
| C41 | H74 | sing | 1.09Å | 1.10Å | |
| C42 | H75 | sing | 1.09Å | 1.10Å | |
| C42 | H76 | sing | 1.09Å | 1.10Å | |
| C44 | H80 | sing | 1.09Å | 1.10Å | |
| C44 | H81 | sing | 1.09Å | 1.10Å | |
| C45 | H82 | sing | 1.09Å | 1.10Å | |
| C47 | H86 | sing | 1.08Å | 1.08Å | |
| NP | H88 | sing | 0.97Å | 1.00Å | |
| C50 | H89 | sing | 1.09Å | 1.10Å | |
| C50 | H90 | sing | 1.09Å | 1.10Å | |
| C51 | H91 | sing | 1.09Å | 1.10Å | |
| C51 | H92 | sing | 1.09Å | 1.10Å | |
| N99 | H93 | sing | 0.97Å | 1.00Å | |
| N53 | H94 | sing | 0.97Å | 1.00Å | |
| N53 | H95 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C1 | C2 | 117.1° | 120.0° |
| O1 | C1 | NA | 124.7° | 120.0° |
| C2 | C1 | NA | 118.2° | 120.0° |
| C1 | C2 | C3 | 96.4° | 109.4° |
| C1 | C2 | NB | 108.3° | 109.5° |
| C1 | C2 | H1 | 111.3° | 109.5° |
| C1 | NA | H48 | 120.0° | 120.0° |
| C1 | NA | H49 | 120.0° | 120.0° |
| C3 | C2 | NB | 113.1° | 109.5° |
| C2 | C3 | NC | 116.1° | 109.4° |
| C3 | C2 | H1 | 110.0° | 109.5° |
| C2 | C3 | H2 | 107.8° | 109.5° |
| C2 | C3 | H3 | 107.8° | 109.5° |
| NB | C2 | H1 | 116.0° | 109.5° |
| C2 | NB | H45 | 109.5° | 111.1° |
| C2 | NB | H46 | 109.5° | 111.0° |
| C3 | NC | C6 | 105.6° | 111.0° |
| NC | C3 | H2 | 107.8° | 109.5° |
| NC | C3 | H3 | 107.8° | 109.4° |
| C3 | NC | H43 | 110.4° | 111.0° |
| O4 | C4 | C5 | 120.4° | 120.0° |
| O4 | C4 | ND | 119.9° | 120.0° |
| C5 | C4 | ND | 119.0° | 120.0° |
| C4 | C5 | C6 | 113.1° | 109.5° |
| C4 | C5 | H4 | 108.5° | 109.5° |
| C4 | C5 | H5 | 108.6° | 109.5° |
| C4 | ND | H41 | 120.0° | 120.0° |
| C4 | ND | H42 | 120.0° | 120.0° |
| C5 | C6 | C7 | 108.9° | 109.5° |
| C5 | C6 | NC | 109.8° | 109.5° |
| C6 | C5 | H4 | 108.6° | 109.5° |
| C6 | C5 | H5 | 108.6° | 109.4° |
| C5 | C6 | H6 | 108.8° | 109.5° |
| C7 | C6 | NC | 109.4° | 109.5° |
| C6 | C7 | NG | 119.3° | 119.0° |
| C6 | C7 | NE | 122.0° | 119.0° |
| C7 | C6 | H6 | 110.3° | 109.5° |
| NC | C6 | H6 | 109.6° | 109.4° |
| C6 | NC | H43 | 110.4° | 111.0° |
| NG | C7 | NE | 118.7° | 122.1° |
| C7 | NG | C10 | 126.8° | 120.9° |
| C7 | NE | C8 | 118.9° | 120.9° |
| C9 | C8 | NF | 118.3° | 120.5° |
| C9 | C8 | NE | 121.7° | 118.9° |
| C8 | C9 | C10 | 117.7° | 118.2° |
| C8 | C9 | CA | 120.5° | 120.9° |
| NF | C8 | NE | 120.1° | 120.5° |
| C8 | NF | H39 | 109.5° | 120.0° |
| C8 | NF | H40 | 109.4° | 120.0° |
| C10 | C9 | CA | 121.8° | 121.0° |
| C9 | C10 | C12 | 125.4° | 120.5° |
| C9 | C10 | NG | 116.2° | 119.0° |
| C9 | CA | H36 | 109.5° | 109.5° |
| C9 | CA | H37 | 109.5° | 109.4° |
| C9 | CA | H38 | 109.5° | 109.5° |
| C12 | C10 | NG | 118.4° | 120.5° |
| C10 | C12 | O12 | 122.6° | 120.0° |
| C10 | C12 | NH | 114.5° | 120.0° |
| O12 | C12 | NH | 121.1° | 120.0° |
| NQ | C70 | O70 | 120.6° | 120.0° |
| NQ | C70 | O68 | 117.0° | 120.0° |
| C70 | NQ | H7 | 120.0° | 120.0° |
| C70 | NQ | H8 | 120.0° | 120.0° |
| O70 | C70 | O68 | 122.3° | 120.0° |
| C70 | O68 | C68 | 117.2° | 117.0° |
| O68 | C68 | C69 | 109.2° | 109.6° |
| O68 | C68 | C67 | 105.3° | 109.6° |
| O68 | C68 | H9 | 111.7° | 109.6° |
| C69 | C68 | C67 | 110.0° | 109.0° |
| C68 | C69 | O69 | 108.9° | 109.5° |
| C68 | C69 | C64 | 109.9° | 109.2° |
| C69 | C68 | H9 | 109.8° | 109.5° |
| C68 | C69 | H10 | 108.5° | 109.6° |
| C68 | C67 | O67 | 110.0° | 109.5° |
| C68 | C67 | C65 | 113.4° | 109.2° |
| C67 | C68 | H9 | 110.8° | 109.6° |
| C68 | C67 | H12 | 108.3° | 109.6° |
| O69 | C69 | C64 | 110.3° | 109.5° |
| O69 | C69 | H10 | 110.3° | 109.5° |
| C69 | O69 | H11 | 109.5° | 114.0° |
| C69 | C64 | O64 | 111.1° | 109.4° |
| C69 | C64 | O56 | 108.5° | 109.5° |
| C64 | C69 | H10 | 109.0° | 109.5° |
| C69 | C64 | H18 | 108.2° | 109.5° |
| O67 | C67 | C65 | 108.1° | 109.5° |
| O67 | C67 | H12 | 109.0° | 109.5° |
| C67 | O67 | H13 | 109.5° | 114.0° |
| C67 | C65 | C66 | 105.8° | 109.5° |
| C67 | C65 | O64 | 108.8° | 109.4° |
| C65 | C67 | H12 | 108.0° | 109.6° |
| C67 | C65 | H14 | 109.8° | 109.5° |
| C66 | C65 | O64 | 111.4° | 109.5° |
| C65 | C66 | O66 | 107.0° | 109.5° |
| C66 | C65 | H14 | 109.9° | 109.5° |
| C65 | C66 | H15 | 110.1° | 109.5° |
| C65 | C66 | H16 | 110.1° | 109.5° |
| C65 | O64 | C64 | 111.0° | 114.1° |
| O64 | C65 | H14 | 111.0° | 109.5° |
| O66 | C66 | H15 | 110.1° | 109.5° |
| O66 | C66 | H16 | 110.1° | 109.5° |
| C66 | O66 | H17 | 109.5° | 114.0° |
| O64 | C64 | O56 | 110.2° | 109.5° |
| O64 | C64 | H18 | 109.2° | 109.5° |
| C64 | O56 | C57 | 102.9° | 114.0° |
| O56 | C64 | H18 | 109.6° | 109.5° |
| O56 | C57 | C58 | 108.2° | 109.5° |
| O56 | C57 | C63 | 110.2° | 109.6° |
| O56 | C57 | H19 | 109.9° | 109.5° |
| C58 | C57 | C63 | 111.8° | 109.2° |
| C57 | C58 | O58 | 111.3° | 109.5° |
| C57 | C58 | C59 | 111.6° | 109.0° |
| C58 | C57 | H19 | 108.3° | 109.5° |
| C57 | C58 | H20 | 108.0° | 109.5° |
| C57 | C63 | O62 | 110.9° | 109.4° |
| C57 | C63 | OH1 | 111.2° | 109.5° |
| C63 | C57 | H19 | 108.5° | 109.5° |
| C57 | C63 | H28 | 109.0° | 109.5° |
| O58 | C58 | C59 | 108.7° | 109.6° |
| O58 | C58 | H20 | 109.0° | 109.6° |
| C58 | O58 | H21 | 109.5° | 114.0° |
| C58 | C59 | O59 | 110.6° | 109.5° |
| C58 | C59 | C60 | 109.1° | 109.2° |
| C59 | C58 | H20 | 108.1° | 109.6° |
| C58 | C59 | H22 | 108.3° | 109.6° |
| O59 | C59 | C60 | 111.1° | 109.5° |
| O59 | C59 | H22 | 109.2° | 109.5° |
| C59 | O59 | H23 | 109.5° | 114.0° |
| C59 | C60 | C61 | 108.8° | 109.5° |
| C59 | C60 | O62 | 107.6° | 109.4° |
| C60 | C59 | H22 | 108.5° | 109.6° |
| C59 | C60 | H24 | 110.5° | 109.5° |
| C61 | C60 | O62 | 107.4° | 109.5° |
| C61 | C60 | H24 | 110.2° | 109.5° |
| C60 | C61 | H25 | 109.5° | 109.5° |
| C60 | C61 | H26 | 109.4° | 109.5° |
| C60 | C61 | H27 | 109.5° | 109.5° |
| C60 | O62 | C63 | 110.8° | 114.1° |
| O62 | C60 | H24 | 112.3° | 109.5° |
| O62 | C63 | OH1 | 106.1° | 109.5° |
| O62 | C63 | H28 | 109.6° | 109.5° |
| C63 | OH1 | C14 | 109.5° | 114.0° |
| OH1 | C63 | H28 | 110.0° | 109.5° |
| OH1 | C14 | C27 | 109.9° | 109.5° |
| OH1 | C14 | C13 | 110.7° | 109.4° |
| OH1 | C14 | H29 | 108.3° | 109.4° |
| C27 | C14 | C13 | 112.2° | 109.5° |
| C14 | C27 | NJ | 128.7° | 126.0° |
| C14 | C27 | C28 | 123.0° | 126.0° |
| C27 | C14 | H29 | 108.0° | 109.5° |
| C14 | C13 | NH | 108.8° | 109.4° |
| C14 | C13 | C30 | 111.4° | 109.5° |
| C13 | C14 | H29 | 107.6° | 109.5° |
| C14 | C13 | H34 | 108.2° | 109.5° |
| NJ | C27 | C28 | 108.3° | 108.0° |
| C27 | NJ | C29 | 108.7° | 109.3° |
| C27 | C28 | NI | 106.4° | 106.8° |
| C27 | C28 | H33 | 126.8° | 126.6° |
| NJ | C29 | NI | 106.4° | 108.7° |
| NJ | C29 | H31 | 126.7° | 125.7° |
| C29 | NI | C28 | 110.1° | 107.2° |
| NI | C29 | H31 | 126.8° | 125.6° |
| C29 | NI | H32 | 124.9° | 126.4° |
| C28 | NI | H32 | 125.0° | 126.4° |
| NI | C28 | H33 | 126.8° | 126.6° |
| NH | C13 | C30 | 110.9° | 109.5° |
| C13 | NH | C12 | 123.0° | 120.0° |
| NH | C13 | H34 | 109.2° | 109.4° |
| C13 | NH | H35 | 118.5° | 120.0° |
| C13 | C30 | O30 | 120.2° | 120.0° |
| C13 | C30 | NK | 118.3° | 120.0° |
| C30 | C13 | H34 | 108.2° | 109.5° |
| C12 | NH | H35 | 118.5° | 120.0° |
| O30 | C30 | NK | 121.4° | 120.0° |
| C30 | NK | C31 | 120.0° | 120.0° |
| C30 | NK | H50 | 120.0° | 120.0° |
| NK | C31 | CB | 109.5° | 109.5° |
| NK | C31 | C33 | 110.8° | 109.4° |
| C31 | NK | H50 | 120.0° | 120.0° |
| NK | C31 | H51 | 110.8° | 109.4° |
| CB | C31 | C33 | 105.9° | 109.5° |
| C31 | CB | C96 | 114.9° | 109.5° |
| CB | C31 | H51 | 110.1° | 109.5° |
| C31 | CB | H52 | 108.1° | 109.5° |
| C31 | CB | H53 | 108.1° | 109.5° |
| C31 | C33 | OH2 | 110.2° | 109.5° |
| C31 | C33 | C34 | 114.1° | 109.5° |
| C33 | C31 | H51 | 109.7° | 109.5° |
| C31 | C33 | H57 | 107.5° | 109.5° |
| CB | C96 | O97 | 106.3° | 109.5° |
| C96 | CB | H52 | 108.1° | 109.5° |
| C96 | CB | H53 | 108.1° | 109.5° |
| CB | C96 | H54 | 110.2° | 109.5° |
| CB | C96 | H55 | 110.2° | 109.4° |
| O97 | C96 | H54 | 110.3° | 109.5° |
| O97 | C96 | H55 | 110.3° | 109.4° |
| C96 | O97 | H56 | 109.5° | 114.1° |
| OH2 | C33 | C34 | 108.2° | 109.5° |
| OH2 | C33 | H57 | 108.9° | 109.4° |
| C33 | OH2 | H58 | 109.5° | 114.0° |
| C33 | C34 | CC | 110.6° | 109.5° |
| C33 | C34 | C36 | 109.4° | 109.5° |
| C34 | C33 | H57 | 107.8° | 109.5° |
| C33 | C34 | H59 | 108.7° | 109.4° |
| CC | C34 | C36 | 111.1° | 109.5° |
| CC | C34 | H59 | 108.7° | 109.5° |
| C34 | CC | H60 | 109.5° | 109.5° |
| C34 | CC | H61 | 109.4° | 109.5° |
| C34 | CC | H62 | 109.5° | 109.4° |
| C34 | C36 | O36 | 119.7° | 120.1° |
| C34 | C36 | NL | 118.0° | 120.0° |
| C36 | C34 | H59 | 108.3° | 109.5° |
| O36 | C36 | NL | 122.2° | 119.9° |
| C36 | NL | C37 | 123.4° | 120.0° |
| C36 | NL | H63 | 118.3° | 120.0° |
| NL | C37 | C38 | 109.1° | 109.5° |
| NL | C37 | C40 | 110.7° | 109.5° |
| C37 | NL | H63 | 118.3° | 120.0° |
| NL | C37 | H64 | 110.8° | 109.5° |
| C38 | C37 | C40 | 105.6° | 109.5° |
| C37 | C38 | CD | 107.8° | 109.5° |
| C37 | C38 | C98 | 109.3° | 109.4° |
| C37 | C38 | OH3 | 110.6° | 109.5° |
| C38 | C37 | H64 | 110.2° | 109.4° |
| C37 | C40 | O40 | 120.0° | 120.0° |
| C37 | C40 | NM | 116.7° | 120.0° |
| C40 | C37 | H64 | 110.3° | 109.4° |
| CD | C38 | C98 | 110.3° | 109.4° |
| CD | C38 | OH3 | 109.9° | 109.5° |
| C38 | CD | H65 | 109.5° | 109.5° |
| C38 | CD | H66 | 109.5° | 109.5° |
| C38 | CD | H67 | 109.5° | 109.4° |
| C98 | C38 | OH3 | 108.9° | 109.5° |
| C38 | C98 | H68 | 109.5° | 109.4° |
| C38 | C98 | H69 | 109.5° | 109.4° |
| C38 | C98 | H70 | 109.5° | 109.5° |
| C38 | OH3 | H71 | 109.5° | 114.0° |
| O40 | C40 | NM | 123.3° | 120.0° |
| C40 | NM | C41 | 120.5° | 120.0° |
| C40 | NM | H72 | 119.8° | 120.0° |
| NM | C41 | C42 | 112.3° | 109.5° |
| C41 | NM | H72 | 119.7° | 120.0° |
| NM | C41 | H73 | 108.7° | 109.5° |
| NM | C41 | H74 | 108.8° | 109.4° |
| C41 | C42 | C43 | 115.2° | 109.5° |
| C42 | C41 | H73 | 108.7° | 109.5° |
| C42 | C41 | H74 | 108.8° | 109.5° |
| C41 | C42 | H75 | 108.0° | 109.5° |
| C41 | C42 | H76 | 108.0° | 109.5° |
| C42 | C43 | NN | 110.8° | 124.9° |
| C42 | C43 | S43 | 118.1° | 125.0° |
| C43 | C42 | H75 | 108.0° | 109.5° |
| C43 | C42 | H76 | 108.0° | 109.4° |
| NN | C43 | S43 | 103.0° | 110.0° |
| C43 | NN | C45 | 111.1° | 120.1° |
| C43 | S43 | C44 | 96.9° | 95.6° |
| NN | C45 | C44 | 105.1° | 111.2° |
| NN | C45 | C46 | 114.4° | 109.1° |
| NN | C45 | H82 | 109.0° | 109.1° |
| S43 | C44 | C45 | 100.5° | 103.1° |
| S43 | C44 | H80 | 111.7° | 110.6° |
| S43 | C44 | H81 | 111.6° | 110.6° |
| C44 | C45 | C46 | 110.9° | 109.1° |
| C45 | C44 | H80 | 111.7° | 110.5° |
| C45 | C44 | H81 | 111.7° | 110.9° |
| C44 | C45 | H82 | 109.0° | 109.3° |
| C45 | C46 | NO | 126.2° | 124.7° |
| C45 | C46 | S46 | 125.4° | 124.7° |
| C46 | C45 | H82 | 108.3° | 109.0° |
| NO | C46 | S46 | 108.5° | 110.5° |
| C46 | NO | C48 | 111.4° | 115.8° |
| C46 | S46 | C47 | 96.3° | 91.1° |
| NO | C48 | C47 | 116.8° | 113.7° |
| NO | C48 | C49 | 124.4° | 123.2° |
| S46 | C47 | C48 | 106.9° | 108.8° |
| S46 | C47 | H86 | 126.5° | 125.5° |
| C47 | C48 | C49 | 118.8° | 123.1° |
| C48 | C47 | H86 | 126.6° | 125.7° |
| C48 | C49 | O49 | 119.1° | 120.0° |
| C48 | C49 | NP | 115.2° | 120.0° |
| O49 | C49 | NP | 125.7° | 120.0° |
| C49 | NP | C50 | 123.8° | 120.0° |
| C49 | NP | H88 | 118.1° | 120.1° |
| NP | C50 | C51 | 106.0° | 109.5° |
| C50 | NP | H88 | 118.1° | 119.9° |
| NP | C50 | H89 | 110.3° | 109.4° |
| NP | C50 | H90 | 110.3° | 109.4° |
| C50 | C51 | C52 | 106.5° | 109.5° |
| C51 | C50 | H89 | 110.3° | 109.5° |
| C51 | C50 | H90 | 110.3° | 109.5° |
| C50 | C51 | H91 | 110.2° | 109.5° |
| C50 | C51 | H92 | 110.2° | 109.4° |
| C51 | C52 | N99 | 121.3° | 120.0° |
| C51 | C52 | N53 | 118.0° | 120.0° |
| C52 | C51 | H91 | 110.2° | 109.5° |
| C52 | C51 | H92 | 110.2° | 109.5° |
| N99 | C52 | N53 | 120.6° | 120.0° |
| C52 | N99 | H93 | 112.0° | 120.0° |
| C52 | N53 | H94 | 120.0° | 120.1° |
| C52 | N53 | H95 | 120.0° | 119.9° |
| H2 | C3 | H3 | 109.5° | 109.5° |
| H4 | C5 | H5 | 109.5° | 109.5° |
| H7 | NQ | H8 | 120.0° | 120.0° |
| H15 | C66 | H16 | 109.5° | 109.4° |
| H25 | C61 | H26 | 109.5° | 109.4° |
| H25 | C61 | H27 | 109.4° | 109.5° |
| H26 | C61 | H27 | 109.5° | 109.4° |
| H36 | CA | H37 | 109.5° | 109.4° |
| H36 | CA | H38 | 109.4° | 109.5° |
| H37 | CA | H38 | 109.5° | 109.6° |
| H39 | NF | H40 | 109.5° | 120.0° |
| H41 | ND | H42 | 120.0° | 120.0° |
| H45 | NB | H46 | 109.5° | 111.0° |
| H48 | NA | H49 | 120.0° | 120.0° |
| H52 | CB | H53 | 109.5° | 109.4° |
| H54 | C96 | H55 | 109.4° | 109.5° |
| H60 | CC | H61 | 109.5° | 109.5° |
| H60 | CC | H62 | 109.5° | 109.5° |
| H61 | CC | H62 | 109.5° | 109.5° |
| H65 | CD | H66 | 109.5° | 109.5° |
| H65 | CD | H67 | 109.4° | 109.5° |
| H66 | CD | H67 | 109.5° | 109.4° |
| H68 | C98 | H69 | 109.4° | 109.4° |
| H68 | C98 | H70 | 109.5° | 109.5° |
| H69 | C98 | H70 | 109.5° | 109.5° |
| H73 | C41 | H74 | 109.5° | 109.4° |
| H75 | C42 | H76 | 109.5° | 109.4° |
| H80 | C44 | H81 | 109.5° | 110.8° |
| H89 | C50 | H90 | 109.4° | 109.4° |
| H91 | C51 | H92 | 109.5° | 109.5° |
| H94 | N53 | H95 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C1 | C2 | NA | 178.6° | 179.8° |
| O1 | C1 | C2 | C3 | 165.2° | 100.1° |
| O1 | C1 | C2 | NB | 48.3° | 19.9° |
| O1 | C1 | C2 | H1 | 80.3° | 139.9° |
| O1 | C1 | NA | H48 | 0.0° | 0.1° |
| O1 | C1 | NA | H49 | 180.0° | 180.0° |
| C1 | C2 | C3 | NB | 113.0° | 120.0° |
| C1 | C2 | C3 | H1 | 115.4° | 120.0° |
| C1 | C2 | NB | H1 | 125.9° | 120.0° |
| C1 | C2 | C3 | NC | 74.7° | 175.0° |
| C1 | C2 | C3 | H2 | 46.2° | 55.0° |
| C1 | C2 | C3 | H3 | 164.3° | 65.0° |
| C1 | C2 | NB | H45 | 180.0° | 60.0° |
| C1 | C2 | NB | H46 | 60.0° | 176.0° |
| C2 | C1 | NA | H48 | 178.5° | 179.7° |
| C2 | C1 | NA | H49 | 1.5° | 0.2° |
| NA | C1 | C2 | C3 | 16.2° | 79.7° |
| NA | C1 | C2 | NB | 133.1° | 160.3° |
| NA | C1 | C2 | H1 | 98.2° | 40.3° |
| C1 | NA | H48 | H49 | 180.0° | 179.9° |
| C3 | C2 | NB | H1 | 128.5° | 120.0° |
| C2 | C3 | NC | H2 | 120.9° | 120.0° |
| C2 | C3 | NC | H3 | 120.9° | 120.0° |
| C2 | C3 | NC | C6 | 134.6° | 174.8° |
| C2 | C3 | H2 | H3 | 117.0° | 120.1° |
| C2 | C3 | NC | H43 | 15.2° | 61.2° |
| C3 | C2 | NB | H45 | 74.4° | 60.0° |
| C3 | C2 | NB | H46 | 165.5° | 64.0° |
| NB | C2 | C3 | NC | 38.3° | 55.0° |
| NB | C2 | C3 | H2 | 159.3° | 64.9° |
| NB | C2 | C3 | H3 | 82.7° | 175.0° |
| C2 | NB | H45 | H46 | 120.0° | 124.0° |
| C3 | NC | C6 | C5 | 40.5° | 81.5° |
| C3 | NC | C6 | C7 | 79.0° | 158.6° |
| C3 | NC | C6 | H43 | 119.4° | 124.0° |
| NC | C3 | C2 | H1 | 169.9° | 65.0° |
| NC | C3 | H2 | H3 | 117.1° | 119.9° |
| C3 | NC | C6 | H6 | 160.0° | 38.6° |
| O4 | C4 | C5 | ND | 170.6° | 179.9° |
| O4 | C4 | C5 | C6 | 148.9° | 6.3° |
| O4 | C4 | C5 | H4 | 90.6° | 126.2° |
| O4 | C4 | C5 | H5 | 28.4° | 113.7° |
| O4 | C4 | ND | H41 | 0.0° | 0.1° |
| O4 | C4 | ND | H42 | 180.0° | 180.0° |
| C4 | C5 | C6 | H4 | 120.5° | 120.0° |
| C4 | C5 | C6 | H5 | 120.5° | 120.0° |
| C4 | C5 | C6 | C7 | 176.4° | 65.4° |
| C4 | C5 | C6 | NC | 63.9° | 174.6° |
| C4 | C5 | H4 | H5 | 118.4° | 120.0° |
| C4 | C5 | C6 | H6 | 56.1° | 54.7° |
| C5 | C4 | ND | H41 | 170.7° | 180.0° |
| C5 | C4 | ND | H42 | 9.3° | 0.1° |
| ND | C4 | C5 | C6 | 21.7° | 173.8° |
| ND | C4 | C5 | H4 | 98.8° | 53.8° |
| ND | C4 | C5 | H5 | 142.3° | 66.2° |
| C4 | ND | H41 | H42 | 179.9° | 180.0° |
| C5 | C6 | C7 | NC | 120.0° | 120.0° |
| C5 | C6 | C7 | H6 | 119.3° | 120.0° |
| C5 | C6 | NC | H6 | 119.5° | 120.0° |
| C5 | C6 | C7 | NG | 158.7° | 105.0° |
| C5 | C6 | C7 | NE | 22.8° | 74.8° |
| C6 | C5 | H4 | H5 | 118.3° | 120.0° |
| C5 | C6 | NC | H43 | 159.9° | 42.5° |
| C7 | C6 | NC | H6 | 121.0° | 120.0° |
| C6 | C7 | NG | NE | 178.6° | 179.8° |
| C6 | C7 | NE | C8 | 179.7° | 180.0° |
| C6 | C7 | NG | C10 | 178.9° | 180.0° |
| C7 | C6 | C5 | H4 | 55.8° | 54.6° |
| C7 | C6 | C5 | H5 | 63.1° | 174.6° |
| C7 | C6 | NC | H43 | 40.4° | 77.4° |
| NC | C6 | C7 | NG | 38.7° | 135.0° |
| NC | C6 | C7 | NE | 142.8° | 45.2° |
| C6 | NC | C3 | H2 | 104.5° | 54.8° |
| C6 | NC | C3 | H3 | 13.7° | 65.1° |
| NC | C6 | C5 | H4 | 175.6° | 65.3° |
| NC | C6 | C5 | H5 | 56.7° | 54.6° |
| NG | C7 | NE | C8 | 1.1° | 0.2° |
| C7 | NG | C10 | C9 | 0.5° | 0.0° |
| C7 | NG | C10 | C12 | 179.8° | 179.8° |
| NG | C7 | C6 | H6 | 82.0° | 15.0° |
| C7 | NE | C8 | C9 | 1.9° | 0.0° |
| C7 | NE | C8 | NF | 180.0° | 179.8° |
| NE | C7 | NG | C10 | 2.4° | 0.2° |
| NE | C7 | C6 | H6 | 96.6° | 165.2° |
| C9 | C8 | NF | NE | 178.1° | 179.7° |
| C8 | C9 | C10 | CA | 177.3° | 180.0° |
| C8 | C9 | C10 | C12 | 177.1° | 180.0° |
| C8 | C9 | C10 | NG | 2.5° | 0.2° |
| C8 | C9 | CA | H36 | 91.3° | 95.2° |
| C8 | C9 | CA | H37 | 148.7° | 144.9° |
| C8 | C9 | CA | H38 | 28.6° | 24.8° |
| C9 | C8 | NF | H39 | 178.2° | 0.0° |
| C9 | C8 | NF | H40 | 58.1° | 180.0° |
| NF | C8 | C9 | C10 | 178.2° | 180.0° |
| NF | C8 | C9 | CA | 0.8° | 0.0° |
| C8 | NF | H39 | H40 | 120.0° | 179.9° |
| NE | C8 | C9 | C10 | 3.7° | 0.2° |
| NE | C8 | C9 | CA | 178.9° | 179.8° |
| NE | C8 | NF | H39 | 0.0° | 179.7° |
| NE | C8 | NF | H40 | 120.0° | 0.2° |
| C9 | C10 | C12 | NG | 179.6° | 179.8° |
| C9 | C10 | C12 | O12 | 15.2° | 2.2° |
| C9 | C10 | C12 | NH | 179.9° | 177.8° |
| C10 | C9 | CA | H36 | 91.4° | 84.8° |
| C10 | C9 | CA | H37 | 28.6° | 35.1° |
| C10 | C9 | CA | H38 | 148.6° | 155.2° |
| CA | C9 | C10 | C12 | 0.2° | 0.0° |
| CA | C9 | C10 | NG | 179.8° | 179.8° |
| C9 | CA | H36 | H37 | 120.0° | 119.9° |
| C9 | CA | H36 | H38 | 120.0° | 120.0° |
| C9 | CA | H37 | H38 | 120.0° | 120.1° |
| C10 | C12 | O12 | NH | 163.9° | 179.9° |
| C10 | C12 | NH | C13 | 178.3° | 180.0° |
| C10 | C12 | NH | H35 | 1.7° | 0.1° |
| NG | C10 | C12 | O12 | 164.4° | 177.6° |
| NG | C10 | C12 | NH | 0.5° | 2.4° |
| O12 | C12 | NH | C13 | 16.6° | 0.0° |
| O12 | C12 | NH | H35 | 163.4° | 180.0° |
| NQ | C70 | O70 | O68 | 178.0° | 180.0° |
| NQ | C70 | O68 | C68 | 178.6° | 180.0° |
| C70 | NQ | H7 | H8 | 180.0° | 180.0° |
| O70 | C70 | O68 | C68 | 0.6° | 0.0° |
| O70 | C70 | NQ | H7 | 0.0° | 0.0° |
| O70 | C70 | NQ | H8 | 180.0° | 180.0° |
| C70 | O68 | C68 | C69 | 83.4° | 90.0° |
| C70 | O68 | C68 | C67 | 158.4° | 150.4° |
| O68 | C70 | NQ | H7 | 178.1° | 180.0° |
| O68 | C70 | NQ | H8 | 1.9° | 0.0° |
| C70 | O68 | C68 | H9 | 38.1° | 30.2° |
| O68 | C68 | C69 | C67 | 115.1° | 119.9° |
| O68 | C68 | C69 | H9 | 122.7° | 120.2° |
| O68 | C68 | C67 | H9 | 120.9° | 120.3° |
| O68 | C68 | C69 | O69 | 43.3° | 57.0° |
| O68 | C68 | C69 | C64 | 164.2° | 176.9° |
| O68 | C68 | C67 | O67 | 70.4° | 63.3° |
| O68 | C68 | C67 | C65 | 168.5° | 176.9° |
| O68 | C68 | C69 | H10 | 76.8° | 63.2° |
| O68 | C68 | C67 | H12 | 48.7° | 56.9° |
| C69 | C68 | C67 | H9 | 121.6° | 119.8° |
| C68 | C69 | O69 | C64 | 120.6° | 119.7° |
| C68 | C69 | O69 | H10 | 118.9° | 120.2° |
| C68 | C69 | C64 | H10 | 118.7° | 120.0° |
| C69 | C68 | C67 | O67 | 172.1° | 176.8° |
| C69 | C68 | C67 | C65 | 50.9° | 57.0° |
| C68 | C69 | C64 | O64 | 55.6° | 57.6° |
| C68 | C69 | C64 | O56 | 65.6° | 62.4° |
| C68 | C69 | O69 | H11 | 180.0° | 180.0° |
| C69 | C68 | C67 | H12 | 68.9° | 63.0° |
| C68 | C69 | C64 | H18 | 175.5° | 177.6° |
| C67 | C68 | C69 | O69 | 71.9° | 62.9° |
| C67 | C68 | C69 | C64 | 49.0° | 57.0° |
| C68 | C67 | O67 | C65 | 124.3° | 119.7° |
| C68 | C67 | O67 | H12 | 118.6° | 120.2° |
| C68 | C67 | C65 | H12 | 120.0° | 120.0° |
| C68 | C67 | C65 | C66 | 177.2° | 177.6° |
| C68 | C67 | C65 | O64 | 57.4° | 57.6° |
| C67 | C68 | C69 | H10 | 168.1° | 176.9° |
| C68 | C67 | O67 | H13 | 66.9° | 180.0° |
| C68 | C67 | C65 | H14 | 64.3° | 62.4° |
| O69 | C69 | C64 | H10 | 121.2° | 120.1° |
| O69 | C69 | C64 | O64 | 64.5° | 62.3° |
| O69 | C69 | C64 | O56 | 174.3° | 177.7° |
| O69 | C69 | C68 | H9 | 166.0° | 177.2° |
| O69 | C69 | C64 | H18 | 55.5° | 57.7° |
| C69 | C64 | O64 | C65 | 63.8° | 61.2° |
| C69 | C64 | O64 | O56 | 120.2° | 120.0° |
| C69 | C64 | O64 | H18 | 119.3° | 120.0° |
| C69 | C64 | O56 | H18 | 118.0° | 120.0° |
| C69 | C64 | O56 | C57 | 170.1° | 123.9° |
| C64 | C69 | C68 | H9 | 73.1° | 62.9° |
| C64 | C69 | O69 | H11 | 59.4° | 60.3° |
| O67 | C67 | C65 | H12 | 117.8° | 120.1° |
| O67 | C67 | C65 | C66 | 60.6° | 62.5° |
| O67 | C67 | C65 | O64 | 179.6° | 177.5° |
| O67 | C67 | C68 | H9 | 50.5° | 57.0° |
| O67 | C67 | C65 | H14 | 57.9° | 57.5° |
| C67 | C65 | C66 | O64 | 118.1° | 119.9° |
| C67 | C65 | C66 | H14 | 118.5° | 120.1° |
| C67 | C65 | O64 | H14 | 121.0° | 120.0° |
| C67 | C65 | C66 | O66 | 159.3° | 176.4° |
| C67 | C65 | O64 | C64 | 62.5° | 61.2° |
| C65 | C67 | C68 | H9 | 70.6° | 62.8° |
| C65 | C67 | O67 | H13 | 57.4° | 60.4° |
| C67 | C65 | C66 | H15 | 81.1° | 56.3° |
| C67 | C65 | C66 | H16 | 39.7° | 63.6° |
| C66 | C65 | O64 | H14 | 122.8° | 120.0° |
| C65 | C66 | O66 | H15 | 119.6° | 120.0° |
| C65 | C66 | O66 | H16 | 119.6° | 120.0° |
| C66 | C65 | O64 | C64 | 178.7° | 178.8° |
| C66 | C65 | C67 | H12 | 57.1° | 57.6° |
| C65 | C66 | H15 | H16 | 121.1° | 120.0° |
| C65 | C66 | O66 | H17 | 180.0° | 175.0° |
| O64 | C65 | C66 | O66 | 41.2° | 63.7° |
| C65 | O64 | C64 | O56 | 56.4° | 58.8° |
| O64 | C65 | C67 | H12 | 62.7° | 62.3° |
| O64 | C65 | C66 | H15 | 160.8° | 176.2° |
| O64 | C65 | C66 | H16 | 78.4° | 56.3° |
| C65 | O64 | C64 | H18 | 176.8° | 178.9° |
| O66 | C66 | C65 | H14 | 82.2° | 56.3° |
| O66 | C66 | H15 | H16 | 121.2° | 120.0° |
| O64 | C64 | O56 | H18 | 120.2° | 120.0° |
| O64 | C64 | O56 | C57 | 68.0° | 116.2° |
| O64 | C64 | C69 | H10 | 174.3° | 177.6° |
| C64 | O64 | C65 | H14 | 58.5° | 58.9° |
| C64 | O56 | C57 | C58 | 117.5° | 66.3° |
| C64 | O56 | C57 | C63 | 120.0° | 53.4° |
| O56 | C64 | C69 | H10 | 53.1° | 57.6° |
| C64 | O56 | C57 | H19 | 0.5° | 173.6° |
| O56 | C57 | C58 | C63 | 121.5° | 120.0° |
| O56 | C57 | C58 | H19 | 119.1° | 120.1° |
| O56 | C57 | C63 | H19 | 120.3° | 120.2° |
| O56 | C57 | C58 | O58 | 44.7° | 56.9° |
| O56 | C57 | C58 | C59 | 166.4° | 63.0° |
| O56 | C57 | C63 | O62 | 167.9° | 62.3° |
| O56 | C57 | C63 | OH1 | 50.1° | 57.7° |
| C57 | O56 | C64 | H18 | 52.1° | 3.8° |
| O56 | C57 | C58 | H20 | 74.9° | 177.1° |
| O56 | C57 | C63 | H28 | 71.3° | 177.7° |
| C58 | C57 | C63 | H19 | 119.3° | 119.9° |
| C57 | C58 | O58 | C59 | 123.3° | 119.5° |
| C57 | C58 | O58 | H20 | 119.0° | 120.2° |
| C57 | C58 | C59 | H20 | 118.7° | 119.8° |
| C57 | C58 | C59 | O59 | 70.1° | 176.9° |
| C57 | C58 | C59 | C60 | 52.5° | 57.0° |
| C58 | C57 | C63 | O62 | 47.5° | 57.6° |
| C58 | C57 | C63 | OH1 | 70.3° | 177.6° |
| C57 | C58 | O58 | H21 | 180.0° | 174.2° |
| C57 | C58 | C59 | H22 | 170.4° | 63.0° |
| C58 | C57 | C63 | H28 | 168.3° | 62.3° |
| C63 | C57 | C58 | O58 | 76.8° | 176.9° |
| C63 | C57 | C58 | C59 | 44.8° | 57.0° |
| C57 | C63 | O62 | C60 | 61.5° | 61.2° |
| C57 | C63 | O62 | OH1 | 120.8° | 119.9° |
| C57 | C63 | O62 | H28 | 120.4° | 120.0° |
| C57 | C63 | OH1 | H28 | 120.9° | 120.0° |
| C57 | C63 | OH1 | C14 | 171.1° | 169.9° |
| C63 | C57 | C58 | H20 | 163.6° | 62.9° |
| O58 | C58 | C59 | H20 | 118.2° | 120.3° |
| O58 | C58 | C59 | O59 | 166.8° | 63.3° |
| O58 | C58 | C59 | C60 | 70.6° | 176.8° |
| O58 | C58 | C57 | H19 | 163.8° | 63.2° |
| O58 | C58 | C59 | H22 | 47.3° | 56.8° |
| C58 | C59 | O59 | C60 | 121.4° | 119.7° |
| C58 | C59 | O59 | H22 | 119.0° | 120.1° |
| C58 | C59 | C60 | H22 | 117.8° | 120.0° |
| C58 | C59 | C60 | C61 | 179.3° | 62.3° |
| C58 | C59 | C60 | O62 | 64.7° | 57.7° |
| C59 | C58 | C57 | H19 | 74.6° | 176.9° |
| C59 | C58 | O58 | H21 | 56.7° | 66.3° |
| C58 | C59 | O59 | H23 | 180.0° | 180.0° |
| C58 | C59 | C60 | H24 | 58.1° | 177.6° |
| O59 | C59 | C60 | H22 | 120.0° | 120.1° |
| O59 | C59 | C60 | C61 | 58.5° | 57.5° |
| O59 | C59 | C60 | O62 | 57.5° | 177.5° |
| O59 | C59 | C58 | H20 | 48.6° | 57.0° |
| O59 | C59 | C60 | H24 | 179.7° | 62.5° |
| C59 | C60 | C61 | O62 | 116.2° | 119.9° |
| C59 | C60 | C61 | H24 | 121.3° | 120.0° |
| C59 | C60 | O62 | H24 | 121.7° | 120.0° |
| C59 | C60 | O62 | C63 | 69.6° | 61.2° |
| C60 | C59 | C58 | H20 | 171.2° | 62.8° |
| C60 | C59 | O59 | H23 | 58.6° | 60.3° |
| C59 | C60 | C61 | H25 | 180.0° | 60.1° |
| C59 | C60 | C61 | H26 | 60.0° | 180.0° |
| C59 | C60 | C61 | H27 | 60.0° | 60.0° |
| C61 | C60 | O62 | H24 | 121.3° | 120.1° |
| C61 | C60 | O62 | C63 | 173.4° | 58.8° |
| C61 | C60 | C59 | H22 | 61.5° | 177.7° |
| C60 | C61 | H25 | H26 | 120.0° | 120.0° |
| C60 | C61 | H25 | H27 | 120.0° | 120.1° |
| C60 | C61 | H26 | H27 | 120.0° | 120.0° |
| C60 | O62 | C63 | OH1 | 59.3° | 178.9° |
| O62 | C60 | C59 | H22 | 177.5° | 62.3° |
| O62 | C60 | C61 | H25 | 63.8° | 179.9° |
| O62 | C60 | C61 | H26 | 56.2° | 60.1° |
| O62 | C60 | C61 | H27 | 176.2° | 59.9° |
| C60 | O62 | C63 | H28 | 178.0° | 58.7° |
| O62 | C63 | OH1 | H28 | 118.5° | 120.1° |
| O62 | C63 | OH1 | C14 | 68.3° | 70.3° |
| O62 | C63 | C57 | H19 | 71.8° | 177.5° |
| C63 | O62 | C60 | H24 | 52.1° | 178.8° |
| C63 | OH1 | C14 | C27 | 129.4° | 94.3° |
| C63 | OH1 | C14 | C13 | 106.2° | 145.7° |
| OH1 | C63 | C57 | H19 | 170.4° | 62.5° |
| C63 | OH1 | C14 | H29 | 11.6° | 25.7° |
| OH1 | C14 | C27 | C13 | 123.6° | 120.0° |
| OH1 | C14 | C27 | H29 | 118.0° | 119.9° |
| OH1 | C14 | C13 | H29 | 118.2° | 119.9° |
| OH1 | C14 | C27 | NJ | 68.5° | 62.3° |
| OH1 | C14 | C27 | C28 | 110.9° | 118.0° |
| OH1 | C14 | C13 | NH | 60.8° | 176.9° |
| OH1 | C14 | C13 | C30 | 176.7° | 56.9° |
| C14 | OH1 | C63 | H28 | 50.2° | 49.8° |
| OH1 | C14 | C13 | H34 | 57.8° | 63.1° |
| C27 | C14 | C13 | H29 | 118.7° | 120.1° |
| C14 | C27 | NJ | C28 | 179.5° | 179.8° |
| C14 | C27 | NJ | C29 | 179.1° | 180.0° |
| C14 | C27 | C28 | NI | 179.7° | 179.9° |
| C27 | C14 | C13 | NH | 62.4° | 63.1° |
| C27 | C14 | C13 | C30 | 60.2° | 176.9° |
| C14 | C27 | C28 | H33 | 0.3° | 0.1° |
| C27 | C14 | C13 | H34 | 179.0° | 56.9° |
| C13 | C14 | C27 | NJ | 55.1° | 57.7° |
| C13 | C14 | C27 | C28 | 125.5° | 122.0° |
| C14 | C13 | NH | C30 | 122.9° | 120.0° |
| C14 | C13 | NH | H34 | 117.9° | 120.0° |
| C14 | C13 | C30 | H34 | 118.9° | 120.0° |
| C14 | C13 | NH | C12 | 131.8° | 60.0° |
| C14 | C13 | C30 | O30 | 74.1° | 100.0° |
| C14 | C13 | C30 | NK | 108.1° | 80.0° |
| C14 | C13 | NH | H35 | 48.2° | 120.0° |
| C27 | NJ | C29 | NI | 0.8° | 0.0° |
| NJ | C27 | C28 | NI | 0.2° | 0.4° |
| NJ | C27 | C14 | H29 | 173.5° | 177.8° |
| C27 | NJ | C29 | H31 | 179.2° | 180.0° |
| NJ | C27 | C28 | H33 | 179.8° | 179.7° |
| C28 | C27 | NJ | C29 | 0.4° | 0.2° |
| C27 | C28 | NI | C29 | 0.7° | 0.4° |
| C27 | C28 | NI | H33 | 180.0° | 180.0° |
| C28 | C27 | C14 | H29 | 7.1° | 1.9° |
| C27 | C28 | NI | H32 | 179.2° | 179.8° |
| NJ | C29 | NI | H31 | 180.0° | 179.9° |
| NJ | C29 | NI | C28 | 1.0° | 0.2° |
| NJ | C29 | NI | H32 | 179.0° | 179.9° |
| C29 | NI | C28 | H32 | 180.0° | 179.8° |
| C29 | NI | C28 | H33 | 179.2° | 179.7° |
| C28 | NI | C29 | H31 | 179.0° | 179.8° |
| NH | C13 | C30 | H34 | 119.8° | 120.0° |
| C13 | NH | C12 | H35 | 180.0° | 180.0° |
| NH | C13 | C30 | O30 | 164.6° | 20.0° |
| NH | C13 | C30 | NK | 13.2° | 160.0° |
| NH | C13 | C14 | H29 | 179.0° | 57.0° |
| C30 | C13 | NH | C12 | 105.3° | 60.0° |
| C13 | C30 | O30 | NK | 177.7° | 180.0° |
| C13 | C30 | NK | C31 | 178.9° | 180.0° |
| C30 | C13 | C14 | H29 | 58.5° | 63.0° |
| C30 | C13 | NH | H35 | 74.7° | 120.0° |
| C13 | C30 | NK | H50 | 1.1° | 0.0° |
| C12 | NH | C13 | H34 | 13.9° | 180.0° |
| O30 | C30 | NK | C31 | 1.1° | 0.0° |
| O30 | C30 | C13 | H34 | 44.8° | 140.0° |
| O30 | C30 | NK | H50 | 178.9° | 180.0° |
| C30 | NK | C31 | H50 | 180.0° | 179.9° |
| C30 | NK | C31 | CB | 106.7° | 85.0° |
| C30 | NK | C31 | C33 | 136.8° | 155.0° |
| NK | C30 | C13 | H34 | 133.0° | 40.0° |
| C30 | NK | C31 | H51 | 14.9° | 35.0° |
| NK | C31 | CB | C33 | 119.5° | 120.0° |
| NK | C31 | CB | H51 | 122.0° | 120.0° |
| NK | C31 | C33 | H51 | 122.6° | 119.9° |
| NK | C31 | CB | C96 | 80.7° | 64.3° |
| NK | C31 | C33 | OH2 | 174.9° | 174.9° |
| NK | C31 | C33 | C34 | 52.9° | 54.9° |
| NK | C31 | CB | H52 | 158.5° | 175.6° |
| NK | C31 | CB | H53 | 40.1° | 55.6° |
| NK | C31 | C33 | H57 | 66.5° | 65.2° |
| CB | C31 | C33 | H51 | 118.7° | 120.0° |
| C31 | CB | C96 | H52 | 120.8° | 120.1° |
| C31 | CB | C96 | H53 | 120.8° | 120.0° |
| C31 | CB | C96 | O97 | 5.2° | 180.0° |
| CB | C31 | C33 | OH2 | 66.4° | 65.0° |
| CB | C31 | C33 | C34 | 171.6° | 174.9° |
| CB | C31 | NK | H50 | 73.2° | 95.0° |
| C31 | CB | H52 | H53 | 117.5° | 120.0° |
| C31 | CB | C96 | H54 | 124.7° | 60.0° |
| C31 | CB | C96 | H55 | 114.4° | 60.0° |
| CB | C31 | C33 | H57 | 52.1° | 54.9° |
| C33 | C31 | CB | C96 | 159.8° | 175.6° |
| C31 | C33 | OH2 | C34 | 125.4° | 120.1° |
| C31 | C33 | OH2 | H57 | 117.7° | 120.0° |
| C31 | C33 | C34 | H57 | 119.3° | 120.0° |
| C31 | C33 | C34 | CC | 71.9° | 61.3° |
| C31 | C33 | C34 | C36 | 165.5° | 178.6° |
| C33 | C31 | NK | H50 | 43.2° | 25.1° |
| C33 | C31 | CB | H52 | 39.0° | 55.6° |
| C33 | C31 | CB | H53 | 79.4° | 64.4° |
| C31 | C33 | OH2 | H58 | 180.0° | 60.0° |
| C31 | C33 | C34 | H59 | 47.3° | 58.6° |
| CB | C96 | O97 | H54 | 119.5° | 120.0° |
| CB | C96 | O97 | H55 | 119.5° | 120.0° |
| C96 | CB | C31 | H51 | 41.3° | 55.6° |
| C96 | CB | H52 | H53 | 117.5° | 120.0° |
| CB | C96 | H54 | H55 | 121.4° | 120.0° |
| CB | C96 | O97 | H56 | 39.6° | 180.0° |
| O97 | C96 | CB | H52 | 115.6° | 59.9° |
| O97 | C96 | CB | H53 | 126.0° | 60.0° |
| O97 | C96 | H54 | H55 | 121.5° | 120.0° |
| OH2 | C33 | C34 | H57 | 117.6° | 119.9° |
| OH2 | C33 | C34 | CC | 51.2° | 58.7° |
| OH2 | C33 | C34 | C36 | 71.5° | 61.3° |
| OH2 | C33 | C31 | H51 | 52.3° | 55.0° |
| OH2 | C33 | C34 | H59 | 170.4° | 178.7° |
| C33 | C34 | CC | C36 | 121.6° | 120.0° |
| C33 | C34 | CC | H59 | 119.3° | 119.9° |
| C33 | C34 | C36 | H59 | 118.4° | 120.0° |
| C33 | C34 | C36 | O36 | 154.3° | 0.1° |
| C33 | C34 | C36 | NL | 22.1° | 180.0° |
| C34 | C33 | C31 | H51 | 69.7° | 65.1° |
| C34 | C33 | OH2 | H58 | 54.6° | 60.0° |
| C33 | C34 | CC | H60 | 180.0° | 55.5° |
| C33 | C34 | CC | H61 | 60.0° | 175.5° |
| C33 | C34 | CC | H62 | 60.0° | 64.4° |
| CC | C34 | C36 | H59 | 119.3° | 120.0° |
| CC | C34 | C36 | O36 | 83.4° | 119.9° |
| CC | C34 | C36 | NL | 100.2° | 60.0° |
| CC | C34 | C33 | H57 | 168.8° | 178.6° |
| C34 | CC | H60 | H61 | 120.0° | 120.0° |
| C34 | CC | H60 | H62 | 120.0° | 119.9° |
| C34 | CC | H61 | H62 | 120.0° | 120.0° |
| C34 | C36 | O36 | NL | 176.2° | 179.9° |
| C34 | C36 | NL | C37 | 178.6° | 179.9° |
| C36 | C34 | C33 | H57 | 46.1° | 58.6° |
| C36 | C34 | CC | H60 | 58.4° | 175.6° |
| C36 | C34 | CC | H61 | 61.6° | 64.4° |
| C36 | C34 | CC | H62 | 178.4° | 55.6° |
| C34 | C36 | NL | H63 | 1.4° | 0.0° |
| O36 | C36 | NL | C37 | 2.3° | 0.0° |
| O36 | C36 | C34 | H59 | 35.9° | 120.0° |
| O36 | C36 | NL | H63 | 177.7° | 179.9° |
| C36 | NL | C37 | H63 | 180.0° | 180.0° |
| C36 | NL | C37 | C38 | 144.6° | 85.0° |
| C36 | NL | C37 | C40 | 99.6° | 155.0° |
| NL | C36 | C34 | H59 | 140.4° | 60.0° |
| C36 | NL | C37 | H64 | 23.1° | 35.0° |
| NL | C37 | C38 | C40 | 119.0° | 120.1° |
| NL | C37 | C38 | H64 | 121.9° | 120.0° |
| NL | C37 | C40 | H64 | 123.0° | 120.0° |
| NL | C37 | C38 | CD | 68.1° | 57.7° |
| NL | C37 | C38 | C98 | 172.0° | 62.2° |
| NL | C37 | C38 | OH3 | 52.1° | 177.8° |
| NL | C37 | C40 | O40 | 36.4° | 9.9° |
| NL | C37 | C40 | NM | 146.1° | 170.1° |
| C38 | C37 | C40 | H64 | 119.0° | 119.9° |
| C37 | C38 | CD | C98 | 119.2° | 119.9° |
| C37 | C38 | CD | OH3 | 120.6° | 120.1° |
| C37 | C38 | C98 | OH3 | 121.0° | 120.0° |
| C38 | C37 | C40 | O40 | 81.6° | 110.2° |
| C38 | C37 | C40 | NM | 96.0° | 69.8° |
| C38 | C37 | NL | H63 | 35.4° | 95.0° |
| C37 | C38 | CD | H65 | 180.0° | 57.5° |
| C37 | C38 | CD | H66 | 60.0° | 177.6° |
| C37 | C38 | CD | H67 | 60.0° | 62.5° |
| C37 | C38 | C98 | H68 | 180.0° | 60.1° |
| C37 | C38 | C98 | H69 | 60.0° | 180.0° |
| C37 | C38 | C98 | H70 | 60.0° | 60.0° |
| C37 | C38 | OH3 | H71 | 31.8° | 60.0° |
| C40 | C37 | C38 | CD | 172.9° | 177.8° |
| C40 | C37 | C38 | C98 | 53.0° | 57.9° |
| C40 | C37 | C38 | OH3 | 66.9° | 62.1° |
| C37 | C40 | O40 | NM | 177.4° | 180.0° |
| C37 | C40 | NM | C41 | 179.6° | 175.0° |
| C40 | C37 | NL | H63 | 80.4° | 25.1° |
| C37 | C40 | NM | H72 | 0.5° | 5.1° |
| CD | C38 | C98 | OH3 | 120.7° | 120.0° |
| CD | C38 | C37 | H64 | 53.8° | 62.2° |
| C38 | CD | H65 | H66 | 120.0° | 120.1° |
| C38 | CD | H65 | H67 | 120.0° | 120.0° |
| C38 | CD | H66 | H67 | 120.0° | 119.9° |
| CD | C38 | C98 | H68 | 61.7° | 180.0° |
| CD | C38 | C98 | H69 | 178.3° | 60.0° |
| CD | C38 | C98 | H70 | 58.3° | 60.0° |
| CD | C38 | OH3 | H71 | 150.7° | 60.0° |
| C98 | C38 | C37 | H64 | 66.1° | 177.8° |
| C98 | C38 | CD | H65 | 60.8° | 62.4° |
| C98 | C38 | CD | H66 | 59.3° | 57.7° |
| C98 | C38 | CD | H67 | 179.2° | 177.6° |
| C38 | C98 | H68 | H69 | 120.0° | 119.9° |
| C38 | C98 | H68 | H70 | 120.0° | 120.0° |
| C38 | C98 | H69 | H70 | 120.0° | 120.0° |
| C98 | C38 | OH3 | H71 | 88.4° | 180.0° |
| OH3 | C38 | C37 | H64 | 174.0° | 57.8° |
| OH3 | C38 | CD | H65 | 59.4° | 177.5° |
| OH3 | C38 | CD | H66 | 179.4° | 62.4° |
| OH3 | C38 | CD | H67 | 60.6° | 57.6° |
| OH3 | C38 | C98 | H68 | 59.0° | 59.9° |
| OH3 | C38 | C98 | H69 | 60.9° | 60.0° |
| OH3 | C38 | C98 | H70 | 179.0° | 180.0° |
| O40 | C40 | NM | C41 | 2.1° | 5.0° |
| O40 | C40 | C37 | H64 | 159.4° | 129.9° |
| O40 | C40 | NM | H72 | 177.9° | 174.9° |
| C40 | NM | C41 | H72 | 180.0° | 179.9° |
| C40 | NM | C41 | C42 | 159.7° | 180.0° |
| NM | C40 | C37 | H64 | 23.1° | 50.1° |
| C40 | NM | C41 | H73 | 39.2° | 59.9° |
| C40 | NM | C41 | H74 | 79.9° | 60.0° |
| NM | C41 | C42 | H73 | 120.4° | 120.1° |
| NM | C41 | C42 | H74 | 120.4° | 120.0° |
| NM | C41 | C42 | C43 | 107.1° | 180.0° |
| NM | C41 | H73 | H74 | 118.7° | 119.9° |
| NM | C41 | C42 | H75 | 132.1° | 59.9° |
| NM | C41 | C42 | H76 | 13.7° | 60.0° |
| C41 | C42 | C43 | H75 | 120.8° | 120.1° |
| C41 | C42 | C43 | H76 | 120.8° | 120.0° |
| C41 | C42 | C43 | NN | 168.4° | 0.0° |
| C41 | C42 | C43 | S43 | 50.0° | 179.7° |
| C42 | C41 | NM | H72 | 20.4° | 0.1° |
| C42 | C41 | H73 | H74 | 118.7° | 120.0° |
| C41 | C42 | H75 | H76 | 117.4° | 120.0° |
| C42 | C43 | NN | S43 | 127.3° | 179.8° |
| C42 | C43 | NN | C45 | 146.2° | 180.0° |
| C42 | C43 | S43 | C44 | 112.9° | 180.0° |
| C43 | C42 | C41 | H73 | 13.3° | 60.0° |
| C43 | C42 | C41 | H74 | 132.5° | 60.0° |
| C43 | C42 | H75 | H76 | 117.4° | 119.9° |
| NN | C43 | S43 | C44 | 9.6° | 0.3° |
| C43 | NN | C45 | C44 | 45.8° | 0.1° |
| C43 | NN | C45 | C46 | 76.1° | 120.4° |
| NN | C43 | C42 | H75 | 47.6° | 120.1° |
| NN | C43 | C42 | H76 | 70.7° | 120.0° |
| C43 | NN | C45 | H82 | 162.5° | 120.5° |
| S43 | C43 | NN | C45 | 18.9° | 0.2° |
| C43 | S43 | C44 | C45 | 34.1° | 0.2° |
| S43 | C43 | C42 | H75 | 70.8° | 59.6° |
| S43 | C43 | C42 | H76 | 170.8° | 60.3° |
| C43 | S43 | C44 | H80 | 152.6° | 118.4° |
| C43 | S43 | C44 | H81 | 84.4° | 118.4° |
| NN | C45 | C44 | S43 | 48.5° | 0.1° |
| NN | C45 | C44 | C46 | 124.2° | 120.4° |
| NN | C45 | C44 | H82 | 116.7° | 120.5° |
| NN | C45 | C46 | H82 | 121.8° | 119.1° |
| NN | C45 | C46 | NO | 169.4° | 136.4° |
| NN | C45 | C46 | S46 | 10.3° | 43.3° |
| NN | C45 | C44 | H80 | 167.0° | 118.4° |
| NN | C45 | C44 | H81 | 70.0° | 118.3° |
| S43 | C44 | C45 | H80 | 118.5° | 118.3° |
| S43 | C44 | C45 | H81 | 118.5° | 118.4° |
| S43 | C44 | C45 | C46 | 75.7° | 120.3° |
| S43 | C44 | H80 | H81 | 124.2° | 123.1° |
| S43 | C44 | C45 | H82 | 165.2° | 120.6° |
| C44 | C45 | C46 | H82 | 119.5° | 119.2° |
| C44 | C45 | C46 | NO | 50.7° | 102.0° |
| C44 | C45 | C46 | S46 | 129.0° | 78.4° |
| C45 | C44 | H80 | H81 | 124.2° | 123.3° |
| C45 | C46 | NO | S46 | 179.8° | 179.7° |
| C45 | C46 | NO | C48 | 178.1° | 179.9° |
| C45 | C46 | S46 | C47 | 178.7° | 180.0° |
| C46 | C45 | C44 | H80 | 42.8° | 2.0° |
| C46 | C45 | C44 | H81 | 165.8° | 121.3° |
| NO | C46 | S46 | C47 | 1.5° | 0.3° |
| C46 | NO | C48 | C47 | 2.0° | 0.1° |
| C46 | NO | C48 | C49 | 179.1° | 179.9° |
| NO | C46 | C45 | H82 | 68.8° | 17.3° |
| S46 | C46 | NO | C48 | 2.1° | 0.3° |
| C46 | S46 | C47 | C48 | 0.4° | 0.2° |
| S46 | C46 | C45 | H82 | 111.5° | 162.4° |
| C46 | S46 | C47 | H86 | 179.6° | 180.0° |
| NO | C48 | C47 | S46 | 0.8° | 0.1° |
| NO | C48 | C47 | C49 | 178.9° | 180.0° |
| NO | C48 | C49 | O49 | 174.4° | 180.0° |
| NO | C48 | C49 | NP | 3.9° | 0.0° |
| NO | C48 | C47 | H86 | 179.2° | 179.9° |
| S46 | C47 | C48 | H86 | 180.0° | 179.8° |
| S46 | C47 | C48 | C49 | 179.8° | 179.9° |
| C47 | C48 | C49 | O49 | 4.5° | 0.0° |
| C47 | C48 | C49 | NP | 177.2° | 180.0° |
| C48 | C49 | O49 | NP | 178.1° | 180.0° |
| C48 | C49 | NP | C50 | 179.3° | 180.0° |
| C49 | C48 | C47 | H86 | 0.3° | 0.1° |
| C48 | C49 | NP | H88 | 0.7° | 0.0° |
| O49 | C49 | NP | C50 | 1.1° | 0.0° |
| O49 | C49 | NP | H88 | 178.9° | 180.0° |
| C49 | NP | C50 | H88 | 180.0° | 180.0° |
| C49 | NP | C50 | C51 | 80.9° | 180.0° |
| C49 | NP | C50 | H89 | 38.6° | 59.9° |
| C49 | NP | C50 | H90 | 159.7° | 60.0° |
| NP | C50 | C51 | H89 | 119.5° | 120.0° |
| NP | C50 | C51 | H90 | 119.5° | 120.0° |
| NP | C50 | C51 | C52 | 134.8° | 180.0° |
| NP | C50 | H89 | H90 | 121.6° | 119.9° |
| NP | C50 | C51 | H91 | 15.3° | 60.0° |
| NP | C50 | C51 | H92 | 105.7° | 60.0° |
| C50 | C51 | C52 | H91 | 119.5° | 120.0° |
| C50 | C51 | C52 | H92 | 119.5° | 119.9° |
| C50 | C51 | C52 | N99 | 110.9° | 0.0° |
| C50 | C51 | C52 | N53 | 65.9° | 180.0° |
| C51 | C50 | NP | H88 | 99.1° | 0.0° |
| C51 | C50 | H89 | H90 | 121.6° | 120.0° |
| C50 | C51 | H91 | H92 | 121.4° | 120.0° |
| C51 | C52 | N99 | N53 | 176.7° | 180.0° |
| C52 | C51 | C50 | H89 | 105.8° | 60.0° |
| C52 | C51 | C50 | H90 | 15.3° | 60.0° |
| C52 | C51 | H91 | H92 | 121.4° | 120.0° |
| C51 | C52 | N99 | H93 | 176.7° | 180.0° |
| C51 | C52 | N53 | H94 | 176.8° | 0.0° |
| C51 | C52 | N53 | H95 | 3.1° | 180.0° |
| N99 | C52 | C51 | H91 | 8.6° | 120.0° |
| N99 | C52 | C51 | H92 | 129.6° | 119.9° |
| N99 | C52 | N53 | H94 | 0.0° | 180.0° |
| N99 | C52 | N53 | H95 | 180.0° | 0.0° |
| N53 | C52 | C51 | H91 | 174.6° | 60.0° |
| N53 | C52 | C51 | H92 | 53.6° | 60.0° |
| N53 | C52 | N99 | H93 | 0.0° | 0.0° |
| C52 | N53 | H94 | H95 | 180.0° | 179.9° |
| H1 | C2 | C3 | H2 | 69.2° | 175.0° |
| H1 | C2 | C3 | H3 | 48.9° | 55.0° |
| H1 | C2 | NB | H45 | 54.1° | 180.0° |
| H1 | C2 | NB | H46 | 66.0° | 56.0° |
| H2 | C3 | NC | H43 | 136.2° | 178.8° |
| H3 | C3 | NC | H43 | 105.7° | 58.8° |
| H4 | C5 | C6 | H6 | 64.4° | 174.7° |
| H5 | C5 | C6 | H6 | 176.7° | 65.3° |
| H6 | C6 | NC | H43 | 80.6° | 162.5° |
| H9 | C68 | C69 | H10 | 45.9° | 57.0° |
| H9 | C68 | C67 | H12 | 169.5° | 177.2° |
| H10 | C69 | O69 | H11 | 61.1° | 59.8° |
| H10 | C69 | C64 | H18 | 65.8° | 62.4° |
| H12 | C67 | O67 | H13 | 174.5° | 59.8° |
| H12 | C67 | C65 | H14 | 175.7° | 177.6° |
| H14 | C65 | C66 | H15 | 37.4° | 63.8° |
| H14 | C65 | C66 | H16 | 158.2° | 176.3° |
| H15 | C66 | O66 | H17 | 60.4° | 64.9° |
| H16 | C66 | O66 | H17 | 60.4° | 55.0° |
| H19 | C57 | C58 | H20 | 44.1° | 57.0° |
| H19 | C57 | C63 | H28 | 49.0° | 57.5° |
| H20 | C58 | O58 | H21 | 61.0° | 54.0° |
| H20 | C58 | C59 | H22 | 71.0° | 177.1° |
| H22 | C59 | O59 | H23 | 61.0° | 59.9° |
| H22 | C59 | C60 | H24 | 59.7° | 57.6° |
| H24 | C60 | C61 | H25 | 58.7° | 60.0° |
| H24 | C60 | C61 | H26 | 178.7° | 60.0° |
| H24 | C60 | C61 | H27 | 61.3° | 179.9° |
| H25 | C61 | H26 | H27 | 120.0° | 119.9° |
| H29 | C14 | C13 | H34 | 60.4° | 177.0° |
| H31 | C29 | NI | H32 | 1.0° | 0.0° |
| H32 | NI | C28 | H33 | 0.8° | 0.2° |
| H34 | C13 | NH | H35 | 166.1° | 0.0° |
| H36 | CA | H37 | H38 | 119.9° | 120.0° |
| H50 | NK | C31 | H51 | 165.2° | 145.0° |
| H51 | C31 | CB | H52 | 79.5° | 64.4° |
| H51 | C31 | CB | H53 | 162.1° | 175.6° |
| H51 | C31 | C33 | H57 | 170.9° | 174.9° |
| H52 | CB | C96 | H54 | 3.9° | 180.0° |
| H52 | CB | C96 | H55 | 124.9° | 60.0° |
| H53 | CB | C96 | H54 | 114.5° | 60.0° |
| H53 | CB | C96 | H55 | 6.5° | 180.0° |
| H54 | C96 | O97 | H56 | 159.1° | 60.0° |
| H55 | C96 | O97 | H56 | 79.9° | 60.0° |
| H57 | C33 | OH2 | H58 | 62.3° | 180.0° |
| H57 | C33 | C34 | H59 | 72.0° | 61.4° |
| H59 | C34 | CC | H60 | 60.7° | 64.4° |
| H59 | C34 | CC | H61 | 179.2° | 55.6° |
| H59 | C34 | CC | H62 | 59.3° | 175.6° |
| H60 | CC | H61 | H62 | 120.0° | 120.0° |
| H63 | NL | C37 | H64 | 156.9° | 145.0° |
| H65 | CD | H66 | H67 | 120.0° | 120.0° |
| H68 | C98 | H69 | H70 | 120.0° | 120.1° |
| H72 | NM | C41 | H73 | 140.8° | 120.0° |
| H72 | NM | C41 | H74 | 100.1° | 120.1° |
| H73 | C41 | C42 | H75 | 107.5° | 180.0° |
| H73 | C41 | C42 | H76 | 134.1° | 60.0° |
| H74 | C41 | C42 | H75 | 11.6° | 60.0° |
| H74 | C41 | C42 | H76 | 106.7° | 180.0° |
| H80 | C44 | C45 | H82 | 76.3° | 121.1° |
| H81 | C44 | C45 | H82 | 46.7° | 2.2° |
| H88 | NP | C50 | H89 | 141.4° | 120.1° |
| H88 | NP | C50 | H90 | 20.4° | 120.0° |
| H89 | C50 | C51 | H91 | 134.7° | 180.0° |
| H89 | C50 | C51 | H92 | 13.8° | 60.0° |
| H90 | C50 | C51 | H91 | 104.2° | 60.0° |
| H90 | C50 | C51 | H92 | 134.8° | 180.0° |
