PMY
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| NA | C1 | sing | 1.35Å | 1.34Å | |
| NA | HA1 | sing | 0.97Å | 1.01Å | |
| NA | HA2 | sing | 0.97Å | 1.01Å | |
| C1 | O1 | doub | 1.21Å | 1.23Å | |
| C1 | C2 | sing | 1.51Å | 1.54Å | |
| C2 | NB | sing | 1.47Å | 1.48Å | |
| C2 | C3 | sing | 1.53Å | 1.56Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| NB | HB1 | sing | 1.01Å | 1.01Å | |
| NB | HB2 | sing | 1.01Å | 1.01Å | |
| C3 | NC | sing | 1.47Å | 1.52Å | |
| C3 | H3E | sing | 1.09Å | 1.06Å | |
| C3 | H3X | sing | 1.09Å | 1.07Å | |
| NC | C6 | sing | 1.47Å | 1.48Å | |
| NC | HNC | sing | 1.01Å | 1.02Å | |
| ND | C4 | sing | 1.35Å | 1.33Å | |
| ND | HD1 | sing | 0.97Å | 1.01Å | |
| ND | HD2 | sing | 0.97Å | 1.01Å | |
| C4 | O4 | doub | 1.21Å | 1.22Å | |
| C4 | C5 | sing | 1.51Å | 1.51Å | |
| C5 | C6 | sing | 1.53Å | 1.52Å | |
| C5 | H5E | sing | 1.09Å | 1.09Å | |
| C5 | H5X | sing | 1.09Å | 1.06Å | |
| C6 | C7 | sing | 1.51Å | 1.53Å | |
| C6 | H6 | sing | 1.09Å | 1.09Å | |
| C7 | NE | doub | 1.32Å | 1.37Å | Aromatic |
| C7 | NG | sing | 1.32Å | 1.33Å | Aromatic |
| NE | C8 | sing | 1.33Å | 1.39Å | Aromatic |
| C8 | C9 | doub | 1.40Å | 1.39Å | Aromatic |
| C8 | NF | sing | 1.39Å | 1.35Å | |
| NG | C10 | doub | 1.33Å | 1.32Å | Aromatic |
| C10 | C9 | sing | 1.39Å | 1.37Å | Aromatic |
| C10 | C12 | sing | 1.48Å | 1.49Å | |
| C9 | CA | sing | 1.51Å | 1.51Å | |
| NF | HF1 | sing | 0.97Å | 1.01Å | |
| NF | HF2 | sing | 0.97Å | 1.01Å | |
| CA | HAA | sing | 1.09Å | 1.09Å | |
| CA | HAB | sing | 1.09Å | 1.09Å | |
| CA | HAC | sing | 1.09Å | 1.09Å | |
| C12 | O12 | doub | 1.21Å | 1.22Å | |
| C12 | NH | sing | 1.35Å | 1.36Å | |
| NH | C13 | sing | 1.46Å | 1.48Å | |
| NH | HNH | sing | 0.97Å | 1.02Å | |
| C13 | C14 | sing | 1.53Å | 1.53Å | |
| C13 | C30 | sing | 1.51Å | 1.53Å | |
| C13 | H13 | sing | 1.09Å | 1.10Å | |
| C14 | OH1 | sing | 1.43Å | 1.39Å | |
| C14 | C27 | sing | 1.51Å | 1.49Å | |
| C14 | H14 | sing | 1.09Å | 1.09Å | |
| OH1 | HO1 | sing | 0.97Å | 0.95Å | |
| C27 | NJ | sing | 1.34Å | 1.34Å | Aromatic |
| C27 | C28 | doub | 1.35Å | 1.34Å | Aromatic |
| NJ | C29 | doub | 1.31Å | 1.34Å | Aromatic |
| C28 | NI | sing | 1.37Å | 1.33Å | Aromatic |
| C28 | H28 | sing | 1.08Å | 1.07Å | |
| C29 | NI | sing | 1.35Å | 1.34Å | Aromatic |
| C29 | H29 | sing | 1.08Å | 1.07Å | |
| NI | HNI | sing | 0.97Å | 1.01Å | |
| C30 | O30 | doub | 1.21Å | 1.23Å | |
| C30 | NK | sing | 1.35Å | 1.33Å | |
| NK | C31 | sing | 1.46Å | 1.45Å | |
| NK | HNK | sing | 0.97Å | 0.99Å | |
| C31 | CB | sing | 1.53Å | 1.55Å | |
| C31 | C33 | sing | 1.53Å | 1.54Å | |
| C31 | H31 | sing | 1.09Å | 1.11Å | |
| CB | HBA | sing | 1.09Å | 1.09Å | |
| CB | HBB | sing | 1.09Å | 1.09Å | |
| CB | HBC | sing | 1.09Å | 1.09Å | |
| C33 | OH2 | sing | 1.43Å | 1.43Å | |
| C33 | C34 | sing | 1.53Å | 1.55Å | |
| C33 | H33 | sing | 1.09Å | 1.09Å | |
| OH2 | HO2 | sing | 0.97Å | 0.96Å | |
| C34 | CC | sing | 1.53Å | 1.57Å | |
| C34 | C36 | sing | 1.51Å | 1.53Å | |
| C34 | H34 | sing | 1.09Å | 1.12Å | |
| CC | HCA | sing | 1.09Å | 1.10Å | |
| CC | HCB | sing | 1.09Å | 1.09Å | |
| CC | HCC | sing | 1.09Å | 1.09Å | |
| C36 | O36 | doub | 1.21Å | 1.23Å | |
| C36 | NL | sing | 1.35Å | 1.33Å | |
| NL | C37 | sing | 1.46Å | 1.46Å | |
| NL | HNL | sing | 0.97Å | 1.00Å | |
| C37 | C38 | sing | 1.53Å | 1.54Å | |
| C37 | C40 | sing | 1.51Å | 1.53Å | |
| C37 | H37 | sing | 1.09Å | 1.09Å | |
| C38 | OH3 | sing | 1.43Å | 1.42Å | |
| C38 | CD | sing | 1.53Å | 1.55Å | |
| C38 | H38 | sing | 1.09Å | 1.10Å | |
| OH3 | HO3 | sing | 0.97Å | 0.96Å | |
| CD | HDA | sing | 1.09Å | 1.09Å | |
| CD | HDB | sing | 1.09Å | 1.09Å | |
| CD | HDC | sing | 1.09Å | 1.09Å | |
| C40 | O40 | doub | 1.21Å | 1.23Å | |
| C40 | NM | sing | 1.35Å | 1.34Å | |
| NM | C41 | sing | 1.47Å | 1.45Å | |
| NM | HNM | sing | 0.97Å | 1.01Å | |
| C41 | C42 | sing | 1.53Å | 1.52Å | |
| C41 | H1E | sing | 1.09Å | 1.08Å | |
| C41 | H1X | sing | 1.09Å | 1.08Å | |
| C42 | C43 | sing | 1.51Å | 1.49Å | |
| C42 | H2E | sing | 1.09Å | 1.08Å | |
| C42 | H2X | sing | 1.09Å | 1.08Å | |
| C43 | S43 | sing | 1.74Å | 1.53Å | Aromatic |
| C43 | NN | doub | 1.31Å | 1.33Å | Aromatic |
| S43 | C44 | sing | 1.79Å | 1.56Å | Aromatic |
| C44 | C45 | doub | 1.37Å | 1.35Å | Aromatic |
| C44 | H44 | sing | 1.08Å | 1.07Å | |
| NN | C45 | sing | 1.32Å | 1.34Å | Aromatic |
| C45 | C46 | sing | 1.48Å | 1.35Å | Aromatic |
| C46 | S46 | sing | 1.79Å | 1.54Å | Aromatic |
| C46 | NO | doub | 1.32Å | 1.34Å | Aromatic |
| S46 | C47 | sing | 1.74Å | 1.60Å | Aromatic |
| C47 | C48 | doub | 1.37Å | 1.36Å | Aromatic |
| C47 | H47 | sing | 1.08Å | 1.08Å | |
| NO | C48 | sing | 1.33Å | 1.35Å | Aromatic |
| C48 | C49 | sing | 1.47Å | 1.36Å | |
| C49 | O49 | doub | 1.22Å | 1.23Å | |
| C49 | NP | sing | 1.35Å | 1.35Å | |
| NP | C51 | sing | 1.46Å | 1.47Å | |
| NP | HNP | sing | 0.97Å | 1.01Å | |
| C51 | C52 | sing | 1.53Å | 1.54Å | |
| C51 | H6E | sing | 1.09Å | 1.09Å | |
| C51 | H6X | sing | 1.09Å | 1.08Å | |
| C52 | C53 | sing | 1.53Å | 1.58Å | |
| C52 | H7E | sing | 1.09Å | 1.11Å | |
| C52 | H7X | sing | 1.09Å | 1.09Å | |
| C53 | NQ | sing | 1.47Å | 1.50Å | |
| C53 | H8E | sing | 1.09Å | 1.10Å | |
| C53 | H8X | sing | 1.09Å | 1.11Å | |
| NQ | C54 | sing | 1.47Å | 1.50Å | |
| NQ | HNQ | sing | 1.01Å | 1.02Å | |
| CE | C54 | sing | 1.53Å | 1.56Å | |
| CE | HEA | sing | 1.09Å | 1.09Å | |
| CE | HEB | sing | 1.09Å | 1.09Å | |
| CE | HEC | sing | 1.09Å | 1.10Å | |
| C54 | C56 | sing | 1.51Å | 1.55Å | |
| C54 | H54 | sing | 1.09Å | 1.09Å | |
| C56 | C57 | doub | 1.38Å | 1.38Å | Aromatic |
| C56 | C61 | sing | 1.38Å | 1.38Å | Aromatic |
| C57 | C58 | sing | 1.38Å | 1.37Å | Aromatic |
| C57 | H57 | sing | 1.08Å | 1.10Å | |
| C58 | C59 | doub | 1.38Å | 1.36Å | Aromatic |
| C58 | H58 | sing | 1.08Å | 1.09Å | |
| C59 | C60 | sing | 1.38Å | 1.36Å | Aromatic |
| C59 | H59 | sing | 1.08Å | 1.09Å | |
| C60 | C61 | doub | 1.38Å | 1.37Å | Aromatic |
| C60 | H60 | sing | 1.08Å | 1.08Å | |
| C61 | H61 | sing | 1.08Å | 1.09Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | NA | HA1 | 118.7° | 120.0° |
| C1 | NA | HA2 | 122.9° | 120.0° |
| NA | C1 | O1 | 119.3° | 120.0° |
| NA | C1 | C2 | 118.8° | 120.0° |
| HA1 | NA | HA2 | 118.4° | 120.0° |
| O1 | C1 | C2 | 121.8° | 120.0° |
| C1 | C2 | NB | 109.8° | 109.5° |
| C1 | C2 | C3 | 122.8° | 109.5° |
| C1 | C2 | H2 | 100.8° | 109.5° |
| NB | C2 | C3 | 119.2° | 109.5° |
| NB | C2 | H2 | 104.9° | 109.4° |
| C2 | NB | HB1 | 111.2° | 106.7° |
| C2 | NB | HB2 | 107.4° | 106.7° |
| C3 | C2 | H2 | 93.8° | 109.6° |
| C2 | C3 | NC | 130.3° | 109.5° |
| C2 | C3 | H3E | 95.5° | 109.5° |
| C2 | C3 | H3X | 103.2° | 109.5° |
| HB1 | NB | HB2 | 111.2° | 106.7° |
| NC | C3 | H3E | 105.0° | 109.5° |
| NC | C3 | H3X | 113.3° | 109.5° |
| C3 | NC | C6 | 123.4° | 106.7° |
| C3 | NC | HNC | 104.1° | 106.8° |
| H3E | C3 | H3X | 106.1° | 109.4° |
| C6 | NC | HNC | 99.6° | 106.7° |
| NC | C6 | C5 | 110.1° | 109.5° |
| NC | C6 | C7 | 108.9° | 109.4° |
| NC | C6 | H6 | 104.6° | 109.4° |
| C4 | ND | HD1 | 118.5° | 120.0° |
| C4 | ND | HD2 | 120.5° | 120.0° |
| ND | C4 | O4 | 125.0° | 120.0° |
| ND | C4 | C5 | 116.0° | 120.0° |
| HD1 | ND | HD2 | 121.0° | 120.0° |
| O4 | C4 | C5 | 119.0° | 120.0° |
| C4 | C5 | C6 | 112.9° | 109.5° |
| C4 | C5 | H5E | 111.4° | 109.5° |
| C4 | C5 | H5X | 108.4° | 109.5° |
| C6 | C5 | H5E | 104.2° | 109.5° |
| C6 | C5 | H5X | 112.4° | 109.5° |
| C5 | C6 | C7 | 125.9° | 109.5° |
| C5 | C6 | H6 | 97.0° | 109.5° |
| H5E | C5 | H5X | 107.3° | 109.5° |
| C7 | C6 | H6 | 107.9° | 109.5° |
| C6 | C7 | NE | 132.4° | 119.0° |
| C6 | C7 | NG | 110.8° | 119.0° |
| NE | C7 | NG | 116.8° | 122.0° |
| C7 | NE | C8 | 119.6° | 120.9° |
| C7 | NG | C10 | 126.6° | 120.9° |
| NE | C8 | C9 | 120.2° | 119.0° |
| NE | C8 | NF | 116.1° | 120.5° |
| C9 | C8 | NF | 123.6° | 120.5° |
| C8 | C9 | C10 | 118.4° | 118.2° |
| C8 | C9 | CA | 123.4° | 120.9° |
| C8 | NF | HF1 | 121.7° | 120.0° |
| C8 | NF | HF2 | 119.7° | 120.0° |
| NG | C10 | C9 | 118.3° | 119.0° |
| NG | C10 | C12 | 112.8° | 120.4° |
| C9 | C10 | C12 | 128.8° | 120.5° |
| C10 | C9 | CA | 118.1° | 121.0° |
| C10 | C12 | O12 | 120.9° | 120.0° |
| C10 | C12 | NH | 117.9° | 120.1° |
| C9 | CA | HAA | 109.8° | 109.4° |
| C9 | CA | HAB | 106.9° | 109.5° |
| C9 | CA | HAC | 114.3° | 109.5° |
| HF1 | NF | HF2 | 118.6° | 120.0° |
| HAA | CA | HAB | 107.3° | 109.4° |
| HAA | CA | HAC | 110.7° | 109.4° |
| HAB | CA | HAC | 107.5° | 109.5° |
| O12 | C12 | NH | 121.2° | 120.0° |
| C12 | NH | C13 | 125.1° | 120.0° |
| C12 | NH | HNH | 112.4° | 120.0° |
| C13 | NH | HNH | 122.5° | 120.0° |
| NH | C13 | C14 | 113.1° | 109.5° |
| NH | C13 | C30 | 115.2° | 109.4° |
| NH | C13 | H13 | 112.2° | 109.5° |
| C14 | C13 | C30 | 102.1° | 109.5° |
| C14 | C13 | H13 | 97.5° | 109.4° |
| C13 | C14 | OH1 | 112.8° | 109.5° |
| C13 | C14 | C27 | 115.6° | 109.5° |
| C13 | C14 | H14 | 106.6° | 109.4° |
| C30 | C13 | H13 | 114.9° | 109.5° |
| C13 | C30 | O30 | 119.1° | 120.0° |
| C13 | C30 | NK | 119.6° | 120.0° |
| OH1 | C14 | C27 | 105.5° | 109.5° |
| OH1 | C14 | H14 | 106.2° | 109.5° |
| C14 | OH1 | HO1 | 112.8° | 106.8° |
| C27 | C14 | H14 | 109.9° | 109.5° |
| C14 | C27 | NJ | 126.1° | 125.9° |
| C14 | C27 | C28 | 125.4° | 126.0° |
| NJ | C27 | C28 | 108.5° | 108.1° |
| C27 | NJ | C29 | 106.9° | 109.2° |
| C27 | C28 | NI | 108.2° | 106.8° |
| C27 | C28 | H28 | 126.2° | 126.6° |
| NJ | C29 | NI | 109.1° | 108.7° |
| NJ | C29 | H29 | 124.1° | 125.6° |
| NI | C28 | H28 | 125.6° | 126.6° |
| C28 | NI | C29 | 107.3° | 107.2° |
| C28 | NI | HNI | 124.9° | 126.4° |
| NI | C29 | H29 | 126.8° | 125.7° |
| C29 | NI | HNI | 127.8° | 126.4° |
| O30 | C30 | NK | 120.8° | 120.1° |
| C30 | NK | C31 | 125.3° | 120.0° |
| C30 | NK | HNK | 118.5° | 120.0° |
| C31 | NK | HNK | 116.2° | 120.0° |
| NK | C31 | CB | 107.8° | 109.6° |
| NK | C31 | C33 | 108.1° | 109.5° |
| NK | C31 | H31 | 107.5° | 109.5° |
| CB | C31 | C33 | 110.8° | 109.5° |
| CB | C31 | H31 | 115.8° | 109.4° |
| C31 | CB | HBA | 111.4° | 109.4° |
| C31 | CB | HBB | 111.5° | 109.5° |
| C31 | CB | HBC | 112.2° | 109.5° |
| C33 | C31 | H31 | 106.5° | 109.4° |
| C31 | C33 | OH2 | 113.1° | 109.5° |
| C31 | C33 | C34 | 111.8° | 109.5° |
| C31 | C33 | H33 | 107.6° | 109.5° |
| HBA | CB | HBB | 106.9° | 109.4° |
| HBA | CB | HBC | 107.6° | 109.5° |
| HBB | CB | HBC | 106.9° | 109.5° |
| OH2 | C33 | C34 | 108.0° | 109.5° |
| OH2 | C33 | H33 | 107.6° | 109.4° |
| C33 | OH2 | HO2 | 102.5° | 106.8° |
| C34 | C33 | H33 | 108.7° | 109.5° |
| C33 | C34 | CC | 110.3° | 109.5° |
| C33 | C34 | C36 | 109.1° | 109.5° |
| C33 | C34 | H34 | 108.1° | 109.4° |
| CC | C34 | C36 | 107.2° | 109.5° |
| CC | C34 | H34 | 116.2° | 109.5° |
| C34 | CC | HCA | 109.5° | 109.5° |
| C34 | CC | HCB | 114.5° | 109.5° |
| C34 | CC | HCC | 112.9° | 109.4° |
| C36 | C34 | H34 | 105.7° | 109.5° |
| C34 | C36 | O36 | 119.0° | 120.0° |
| C34 | C36 | NL | 118.1° | 120.0° |
| HCA | CC | HCB | 105.2° | 109.5° |
| HCA | CC | HCC | 105.7° | 109.5° |
| HCB | CC | HCC | 108.5° | 109.4° |
| O36 | C36 | NL | 122.9° | 120.0° |
| C36 | NL | C37 | 127.4° | 119.9° |
| C36 | NL | HNL | 116.4° | 120.0° |
| C37 | NL | HNL | 116.2° | 120.0° |
| NL | C37 | C38 | 108.5° | 109.5° |
| NL | C37 | C40 | 115.8° | 109.4° |
| NL | C37 | H37 | 109.6° | 109.5° |
| C38 | C37 | C40 | 109.2° | 109.5° |
| C38 | C37 | H37 | 107.4° | 109.4° |
| C37 | C38 | OH3 | 106.2° | 109.5° |
| C37 | C38 | CD | 110.3° | 109.5° |
| C37 | C38 | H38 | 108.8° | 109.5° |
| C40 | C37 | H37 | 106.1° | 109.5° |
| C37 | C40 | O40 | 116.4° | 120.0° |
| C37 | C40 | NM | 122.6° | 120.0° |
| OH3 | C38 | CD | 112.3° | 109.5° |
| OH3 | C38 | H38 | 102.1° | 109.5° |
| C38 | OH3 | HO3 | 101.6° | 106.9° |
| CD | C38 | H38 | 116.4° | 109.4° |
| C38 | CD | HDA | 110.1° | 109.4° |
| C38 | CD | HDB | 113.3° | 109.5° |
| C38 | CD | HDC | 111.5° | 109.4° |
| HDA | CD | HDB | 106.7° | 109.5° |
| HDA | CD | HDC | 106.6° | 109.5° |
| HDB | CD | HDC | 108.4° | 109.5° |
| O40 | C40 | NM | 121.0° | 120.0° |
| C40 | NM | C41 | 120.7° | 120.0° |
| C40 | NM | HNM | 122.3° | 120.0° |
| C41 | NM | HNM | 117.0° | 120.0° |
| NM | C41 | C42 | 110.6° | 109.5° |
| NM | C41 | H1E | 110.6° | 109.5° |
| NM | C41 | H1X | 109.4° | 109.4° |
| C42 | C41 | H1E | 110.9° | 109.5° |
| C42 | C41 | H1X | 108.0° | 109.5° |
| C41 | C42 | C43 | 108.9° | 109.5° |
| C41 | C42 | H2E | 108.3° | 109.5° |
| C41 | C42 | H2X | 108.4° | 109.5° |
| H1E | C41 | H1X | 107.2° | 109.5° |
| C43 | C42 | H2E | 109.1° | 109.5° |
| C43 | C42 | H2X | 112.8° | 109.4° |
| C42 | C43 | S43 | 136.1° | 128.7° |
| C42 | C43 | NN | 121.0° | 128.8° |
| H2E | C42 | H2X | 109.3° | 109.5° |
| S43 | C43 | NN | 102.9° | 102.5° |
| C43 | S43 | C44 | 105.7° | 97.6° |
| C43 | NN | C45 | 115.3° | 121.5° |
| S43 | C44 | C45 | 101.6° | 100.6° |
| S43 | C44 | H44 | 133.5° | 129.7° |
| C45 | C44 | H44 | 124.9° | 129.7° |
| C44 | C45 | NN | 114.5° | 117.8° |
| C44 | C45 | C46 | 126.2° | 121.1° |
| NN | C45 | C46 | 119.3° | 121.1° |
| C45 | C46 | S46 | 129.4° | 129.1° |
| C45 | C46 | NO | 126.3° | 129.2° |
| S46 | C46 | NO | 104.2° | 101.7° |
| C46 | S46 | C47 | 104.4° | 97.7° |
| C46 | NO | C48 | 114.5° | 119.9° |
| S46 | C47 | C48 | 101.8° | 101.6° |
| S46 | C47 | H47 | 130.3° | 129.2° |
| C48 | C47 | H47 | 127.9° | 129.2° |
| C47 | C48 | NO | 114.9° | 119.2° |
| C47 | C48 | C49 | 125.6° | 120.4° |
| NO | C48 | C49 | 119.4° | 120.4° |
| C48 | C49 | O49 | 119.2° | 120.0° |
| C48 | C49 | NP | 120.6° | 120.0° |
| O49 | C49 | NP | 120.2° | 120.0° |
| C49 | NP | C51 | 124.8° | 120.0° |
| C49 | NP | HNP | 119.9° | 120.0° |
| C51 | NP | HNP | 115.3° | 120.0° |
| NP | C51 | C52 | 111.0° | 109.5° |
| NP | C51 | H6E | 107.9° | 109.5° |
| NP | C51 | H6X | 110.1° | 109.5° |
| C52 | C51 | H6E | 108.4° | 109.4° |
| C52 | C51 | H6X | 111.8° | 109.4° |
| C51 | C52 | C53 | 111.0° | 109.5° |
| C51 | C52 | H7E | 102.9° | 109.4° |
| C51 | C52 | H7X | 109.3° | 109.5° |
| H6E | C51 | H6X | 107.5° | 109.5° |
| C53 | C52 | H7E | 115.6° | 109.5° |
| C53 | C52 | H7X | 113.3° | 109.5° |
| C52 | C53 | NQ | 113.8° | 109.5° |
| C52 | C53 | H8E | 103.1° | 109.5° |
| C52 | C53 | H8X | 117.3° | 109.5° |
| H7E | C52 | H7X | 104.0° | 109.5° |
| NQ | C53 | H8E | 102.7° | 109.4° |
| NQ | C53 | H8X | 108.4° | 109.4° |
| C53 | NQ | C54 | 127.4° | 106.7° |
| C53 | NQ | HNQ | 110.7° | 106.7° |
| H8E | C53 | H8X | 110.4° | 109.5° |
| C54 | NQ | HNQ | 114.0° | 106.7° |
| NQ | C54 | CE | 114.2° | 109.4° |
| NQ | C54 | C56 | 109.2° | 109.5° |
| NQ | C54 | H54 | 105.1° | 109.5° |
| C54 | CE | HEA | 112.9° | 109.5° |
| C54 | CE | HEB | 113.0° | 109.5° |
| C54 | CE | HEC | 111.1° | 109.4° |
| CE | C54 | C56 | 108.4° | 109.5° |
| CE | C54 | H54 | 107.0° | 109.5° |
| HEA | CE | HEB | 107.4° | 109.5° |
| HEA | CE | HEC | 105.5° | 109.5° |
| HEB | CE | HEC | 106.5° | 109.5° |
| C56 | C54 | H54 | 113.1° | 109.5° |
| C54 | C56 | C57 | 119.3° | 120.0° |
| C54 | C56 | C61 | 122.2° | 120.0° |
| C57 | C56 | C61 | 118.5° | 120.0° |
| C56 | C57 | C58 | 120.6° | 120.0° |
| C56 | C57 | H57 | 120.6° | 120.0° |
| C56 | C61 | C60 | 120.2° | 120.0° |
| C56 | C61 | H61 | 122.9° | 120.0° |
| C58 | C57 | H57 | 118.8° | 120.0° |
| C57 | C58 | C59 | 120.1° | 120.0° |
| C57 | C58 | H58 | 122.4° | 120.0° |
| C59 | C58 | H58 | 117.5° | 120.0° |
| C58 | C59 | C60 | 120.1° | 120.0° |
| C58 | C59 | H59 | 119.9° | 120.0° |
| C60 | C59 | H59 | 120.1° | 120.0° |
| C59 | C60 | C61 | 120.5° | 120.0° |
| C59 | C60 | H60 | 117.8° | 120.0° |
| C61 | C60 | H60 | 121.7° | 120.0° |
| C60 | C61 | H61 | 116.9° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | NA | HA1 | HA2 | 179.9° | 179.9° |
| NA | C1 | O1 | C2 | 176.2° | 180.0° |
| NA | C1 | C2 | NB | 85.3° | 150.0° |
| NA | C1 | C2 | C3 | 126.6° | 90.0° |
| NA | C1 | C2 | H2 | 24.9° | 30.1° |
| HA1 | NA | C1 | O1 | 3.5° | 0.0° |
| HA1 | NA | C1 | C2 | 179.8° | 180.0° |
| HA2 | NA | C1 | O1 | 176.6° | 180.0° |
| HA2 | NA | C1 | C2 | 0.3° | 0.1° |
| O1 | C1 | C2 | NB | 90.9° | 30.0° |
| O1 | C1 | C2 | C3 | 57.2° | 90.0° |
| O1 | C1 | C2 | H2 | 158.9° | 149.9° |
| C1 | C2 | NB | C3 | 149.4° | 120.0° |
| C1 | C2 | NB | H2 | 107.5° | 119.9° |
| C1 | C2 | C3 | H2 | 105.4° | 120.1° |
| C1 | C2 | NB | HB1 | 85.2° | 60.0° |
| C1 | C2 | NB | HB2 | 152.8° | 173.8° |
| C1 | C2 | C3 | NC | 62.1° | 180.0° |
| C1 | C2 | C3 | H3E | 177.1° | 60.0° |
| C1 | C2 | C3 | H3X | 75.0° | 60.0° |
| NB | C2 | C3 | H2 | 109.4° | 120.0° |
| C2 | NB | HB1 | HB2 | 119.7° | 113.8° |
| NB | C2 | C3 | NC | 83.1° | 60.0° |
| NB | C2 | C3 | H3E | 31.8° | 180.0° |
| NB | C2 | C3 | H3X | 139.8° | 60.0° |
| C3 | C2 | NB | HB1 | 64.1° | 60.0° |
| C3 | C2 | NB | HB2 | 57.8° | 53.8° |
| C2 | C3 | NC | H3E | 110.9° | 120.0° |
| C2 | C3 | NC | H3X | 133.8° | 120.1° |
| C2 | C3 | H3E | H3X | 105.4° | 120.0° |
| C2 | C3 | NC | C6 | 8.4° | 174.5° |
| C2 | C3 | NC | HNC | 103.5° | 71.6° |
| H2 | C2 | NB | HB1 | 167.2° | 179.9° |
| H2 | C2 | NB | HB2 | 45.3° | 66.2° |
| H2 | C2 | C3 | NC | 167.5° | 60.0° |
| H2 | C2 | C3 | H3E | 77.5° | 60.1° |
| H2 | C2 | C3 | H3X | 30.4° | 180.0° |
| NC | C3 | H3E | H3X | 120.3° | 120.0° |
| C3 | NC | C6 | HNC | 114.1° | 113.9° |
| C3 | NC | C6 | C5 | 49.5° | 94.3° |
| C3 | NC | C6 | C7 | 92.3° | 145.7° |
| C3 | NC | C6 | H6 | 152.7° | 25.7° |
| H3E | C3 | NC | C6 | 119.3° | 54.5° |
| H3E | C3 | NC | HNC | 7.4° | 168.3° |
| H3X | C3 | NC | C6 | 125.4° | 65.4° |
| H3X | C3 | NC | HNC | 122.7° | 48.4° |
| NC | C6 | C5 | C4 | 166.4° | 173.8° |
| NC | C6 | C5 | C7 | 133.6° | 120.0° |
| NC | C6 | C5 | H6 | 108.3° | 120.0° |
| NC | C6 | C5 | H5E | 45.3° | 53.8° |
| NC | C6 | C5 | H5X | 70.5° | 66.2° |
| NC | C6 | C7 | H6 | 112.9° | 119.9° |
| NC | C6 | C7 | NE | 145.5° | 60.1° |
| NC | C6 | C7 | NG | 36.0° | 120.0° |
| HNC | NC | C6 | C5 | 64.6° | 151.9° |
| HNC | NC | C6 | C7 | 153.7° | 31.8° |
| HNC | NC | C6 | H6 | 38.6° | 88.1° |
| C4 | ND | HD1 | HD2 | 179.9° | 180.0° |
| ND | C4 | O4 | C5 | 178.5° | 179.9° |
| ND | C4 | C5 | C6 | 73.6° | 174.3° |
| ND | C4 | C5 | H5E | 169.6° | 65.7° |
| ND | C4 | C5 | H5X | 51.7° | 54.3° |
| HD1 | ND | C4 | O4 | 178.0° | 0.1° |
| HD1 | ND | C4 | C5 | 3.5° | 180.0° |
| HD2 | ND | C4 | O4 | 1.9° | 179.9° |
| HD2 | ND | C4 | C5 | 176.6° | 0.0° |
| O4 | C4 | C5 | C6 | 105.0° | 5.6° |
| O4 | C4 | C5 | H5E | 11.8° | 114.4° |
| O4 | C4 | C5 | H5X | 129.7° | 125.6° |
| C4 | C5 | C6 | H5E | 121.0° | 120.0° |
| C4 | C5 | C6 | H5X | 123.1° | 120.0° |
| C4 | C5 | H5E | H5X | 118.6° | 120.0° |
| C4 | C5 | C6 | C7 | 60.0° | 66.2° |
| C4 | C5 | C6 | H6 | 58.1° | 53.8° |
| C6 | C5 | H5E | H5X | 119.4° | 120.0° |
| C5 | C6 | C7 | H6 | 113.0° | 120.1° |
| C5 | C6 | C7 | NE | 11.5° | 59.9° |
| C5 | C6 | C7 | NG | 170.0° | 120.0° |
| H5E | C5 | C6 | C7 | 179.0° | 173.8° |
| H5E | C5 | C6 | H6 | 63.0° | 66.2° |
| H5X | C5 | C6 | C7 | 63.1° | 53.8° |
| H5X | C5 | C6 | H6 | 178.9° | 173.8° |
| C6 | C7 | NE | NG | 178.4° | 179.9° |
| C6 | C7 | NE | C8 | 178.8° | 179.9° |
| C6 | C7 | NG | C10 | 177.2° | 179.9° |
| H6 | C6 | C7 | NE | 101.5° | 179.9° |
| H6 | C6 | C7 | NG | 77.0° | 0.1° |
| C7 | NE | C8 | C9 | 1.3° | 0.3° |
| C7 | NE | C8 | NF | 179.9° | 179.9° |
| NE | C7 | NG | C10 | 1.5° | 0.0° |
| NG | C7 | NE | C8 | 0.4° | 0.1° |
| C7 | NG | C10 | C9 | 2.4° | 0.3° |
| C7 | NG | C10 | C12 | 175.7° | 180.0° |
| NE | C8 | C9 | NF | 178.7° | 179.7° |
| NE | C8 | C9 | C10 | 0.4° | 0.6° |
| NE | C8 | C9 | CA | 177.6° | 180.0° |
| NE | C8 | NF | HF1 | 179.0° | 0.0° |
| NE | C8 | NF | HF2 | 1.4° | 180.0° |
| C8 | C9 | C10 | NG | 1.3° | 0.6° |
| C8 | C9 | C10 | CA | 177.3° | 179.4° |
| C8 | C9 | C10 | C12 | 176.5° | 179.7° |
| C9 | C8 | NF | HF1 | 0.3° | 179.6° |
| C9 | C8 | NF | HF2 | 179.8° | 0.4° |
| C8 | C9 | CA | HAA | 117.7° | 97.0° |
| C8 | C9 | CA | HAB | 126.2° | 143.0° |
| C8 | C9 | CA | HAC | 7.4° | 23.0° |
| NF | C8 | C9 | C10 | 179.1° | 179.7° |
| NF | C8 | C9 | CA | 3.7° | 0.4° |
| C8 | NF | HF1 | HF2 | 179.6° | 180.0° |
| NG | C10 | C9 | C12 | 177.8° | 179.7° |
| NG | C10 | C9 | CA | 176.0° | 180.0° |
| NG | C10 | C12 | O12 | 171.3° | 174.8° |
| NG | C10 | C12 | NH | 6.2° | 5.2° |
| C10 | C9 | CA | HAA | 65.2° | 83.6° |
| C10 | C9 | CA | HAB | 51.0° | 36.3° |
| C10 | C9 | CA | HAC | 169.8° | 156.4° |
| C9 | C10 | C12 | O12 | 6.6° | 4.8° |
| C9 | C10 | C12 | NH | 175.9° | 175.2° |
| C12 | C10 | C9 | CA | 6.2° | 0.3° |
| C10 | C12 | O12 | NH | 177.4° | 180.0° |
| C10 | C12 | NH | C13 | 179.5° | 180.0° |
| C10 | C12 | NH | HNH | 0.5° | 0.0° |
| C9 | CA | HAA | HAB | 115.9° | 120.0° |
| C9 | CA | HAA | HAC | 127.1° | 120.0° |
| C9 | CA | HAB | HAC | 123.1° | 120.1° |
| HAA | CA | HAB | HAC | 119.1° | 120.0° |
| O12 | C12 | NH | C13 | 3.0° | 0.0° |
| O12 | C12 | NH | HNH | 177.0° | 180.0° |
| C12 | NH | C13 | HNH | 180.0° | 180.0° |
| C12 | NH | C13 | C14 | 155.0° | 90.0° |
| C12 | NH | C13 | C30 | 88.1° | 150.0° |
| C12 | NH | C13 | H13 | 45.9° | 30.0° |
| NH | C13 | C14 | C30 | 124.3° | 120.0° |
| NH | C13 | C14 | H13 | 118.1° | 120.0° |
| NH | C13 | C30 | H13 | 132.7° | 120.1° |
| NH | C13 | C14 | OH1 | 72.6° | 180.0° |
| NH | C13 | C14 | C27 | 48.9° | 60.0° |
| NH | C13 | C14 | H14 | 171.2° | 60.0° |
| NH | C13 | C30 | O30 | 162.6° | 0.0° |
| NH | C13 | C30 | NK | 24.7° | 180.0° |
| HNH | NH | C13 | C14 | 25.0° | 90.0° |
| HNH | NH | C13 | C30 | 91.9° | 30.0° |
| HNH | NH | C13 | H13 | 134.1° | 150.0° |
| C14 | C13 | C30 | H13 | 104.3° | 120.0° |
| C13 | C14 | OH1 | C27 | 127.0° | 120.0° |
| C13 | C14 | OH1 | H14 | 116.4° | 120.0° |
| C13 | C14 | C27 | H14 | 120.6° | 120.0° |
| C13 | C14 | OH1 | HO1 | 180.0° | 60.0° |
| C13 | C14 | C27 | NJ | 54.1° | 60.3° |
| C13 | C14 | C27 | C28 | 126.2° | 120.0° |
| C14 | C13 | C30 | O30 | 74.4° | 120.0° |
| C14 | C13 | C30 | NK | 98.3° | 60.0° |
| C30 | C13 | C14 | OH1 | 163.0° | 60.0° |
| C30 | C13 | C14 | C27 | 75.5° | 180.0° |
| C30 | C13 | C14 | H14 | 46.9° | 60.0° |
| C13 | C30 | O30 | NK | 172.6° | 180.0° |
| C13 | C30 | NK | C31 | 173.2° | 180.0° |
| C13 | C30 | NK | HNK | 5.6° | 0.0° |
| H13 | C13 | C14 | OH1 | 45.5° | 60.0° |
| H13 | C13 | C14 | C27 | 166.9° | 60.0° |
| H13 | C13 | C14 | H14 | 70.7° | 180.0° |
| H13 | C13 | C30 | O30 | 29.9° | 120.0° |
| H13 | C13 | C30 | NK | 157.4° | 60.0° |
| OH1 | C14 | C27 | H14 | 114.1° | 120.0° |
| OH1 | C14 | C27 | NJ | 71.2° | 59.7° |
| OH1 | C14 | C27 | C28 | 108.5° | 120.0° |
| C27 | C14 | OH1 | HO1 | 53.0° | 60.1° |
| C14 | C27 | NJ | C28 | 179.8° | 179.8° |
| C14 | C27 | NJ | C29 | 178.8° | 179.8° |
| C14 | C27 | C28 | NI | 178.9° | 180.0° |
| C14 | C27 | C28 | H28 | 1.1° | 0.0° |
| H14 | C14 | OH1 | HO1 | 63.6° | 179.9° |
| H14 | C14 | C27 | NJ | 174.7° | 179.7° |
| H14 | C14 | C27 | C28 | 5.6° | 0.0° |
| NJ | C27 | C28 | NI | 0.9° | 0.2° |
| NJ | C27 | C28 | H28 | 179.1° | 179.8° |
| C27 | NJ | C29 | NI | 0.7° | 0.4° |
| C27 | NJ | C29 | H29 | 178.5° | 179.9° |
| C28 | C27 | NJ | C29 | 1.0° | 0.4° |
| C27 | C28 | NI | H28 | 180.0° | 180.0° |
| C27 | C28 | NI | C29 | 0.4° | 0.0° |
| C27 | C28 | NI | HNI | 179.6° | 180.0° |
| NJ | C29 | NI | C28 | 0.2° | 0.3° |
| NJ | C29 | NI | H29 | 177.7° | 179.7° |
| NJ | C29 | NI | HNI | 179.8° | 179.8° |
| C28 | NI | C29 | HNI | 179.9° | 179.9° |
| C28 | NI | C29 | H29 | 177.8° | 180.0° |
| H28 | C28 | NI | C29 | 179.5° | 180.0° |
| H28 | C28 | NI | HNI | 0.4° | 0.1° |
| H29 | C29 | NI | HNI | 2.1° | 0.1° |
| O30 | C30 | NK | C31 | 0.6° | 0.0° |
| O30 | C30 | NK | HNK | 178.2° | 180.0° |
| C30 | NK | C31 | HNK | 178.8° | 179.9° |
| C30 | NK | C31 | CB | 73.8° | 90.0° |
| C30 | NK | C31 | C33 | 166.3° | 150.0° |
| C30 | NK | C31 | H31 | 51.7° | 30.1° |
| NK | C31 | CB | C33 | 118.1° | 120.0° |
| NK | C31 | CB | H31 | 120.5° | 120.0° |
| NK | C31 | C33 | H31 | 115.3° | 120.0° |
| NK | C31 | CB | HBA | 175.2° | 65.0° |
| NK | C31 | CB | HBB | 65.5° | 54.9° |
| NK | C31 | CB | HBC | 54.5° | 175.0° |
| NK | C31 | C33 | OH2 | 176.9° | 174.9° |
| NK | C31 | C33 | C34 | 61.1° | 54.9° |
| NK | C31 | C33 | H33 | 58.1° | 65.2° |
| HNK | NK | C31 | CB | 107.3° | 90.0° |
| HNK | NK | C31 | C33 | 12.5° | 30.0° |
| HNK | NK | C31 | H31 | 127.1° | 150.0° |
| CB | C31 | C33 | H31 | 126.8° | 119.9° |
| C31 | CB | HBA | HBB | 122.1° | 119.9° |
| C31 | CB | HBA | HBC | 123.4° | 120.0° |
| C31 | CB | HBB | HBC | 123.0° | 120.1° |
| CB | C31 | C33 | OH2 | 59.0° | 65.0° |
| CB | C31 | C33 | C34 | 179.0° | 175.0° |
| CB | C31 | C33 | H33 | 59.7° | 54.9° |
| C33 | C31 | CB | HBA | 57.1° | 55.1° |
| C33 | C31 | CB | HBB | 176.4° | 175.0° |
| C33 | C31 | CB | HBC | 63.6° | 65.0° |
| C31 | C33 | OH2 | C34 | 124.2° | 120.0° |
| C31 | C33 | OH2 | H33 | 118.7° | 120.0° |
| C31 | C33 | C34 | H33 | 118.6° | 120.0° |
| C31 | C33 | OH2 | HO2 | 178.1° | 60.0° |
| C31 | C33 | C34 | CC | 83.1° | 61.1° |
| C31 | C33 | C34 | C36 | 159.4° | 178.8° |
| C31 | C33 | C34 | H34 | 45.0° | 58.9° |
| H31 | C31 | CB | HBA | 64.4° | 175.0° |
| H31 | C31 | CB | HBB | 55.0° | 65.1° |
| H31 | C31 | CB | HBC | 174.9° | 55.0° |
| H31 | C31 | C33 | OH2 | 67.8° | 54.9° |
| H31 | C31 | C33 | C34 | 54.3° | 65.1° |
| H31 | C31 | C33 | H33 | 173.5° | 174.8° |
| HBA | CB | HBB | HBC | 115.0° | 120.1° |
| OH2 | C33 | C34 | H33 | 116.4° | 119.9° |
| OH2 | C33 | C34 | CC | 41.8° | 58.9° |
| OH2 | C33 | C34 | C36 | 75.6° | 61.1° |
| OH2 | C33 | C34 | H34 | 169.9° | 178.9° |
| C34 | C33 | OH2 | HO2 | 54.0° | 60.0° |
| C33 | C34 | CC | C36 | 118.7° | 120.0° |
| C33 | C34 | CC | H34 | 123.5° | 119.9° |
| C33 | C34 | C36 | H34 | 116.1° | 119.9° |
| C33 | C34 | CC | HCA | 60.2° | 64.6° |
| C33 | C34 | CC | HCB | 177.9° | 55.4° |
| C33 | C34 | CC | HCC | 57.2° | 175.4° |
| C33 | C34 | C36 | O36 | 42.1° | 0.0° |
| C33 | C34 | C36 | NL | 139.8° | 180.0° |
| H33 | C33 | OH2 | HO2 | 63.1° | 180.0° |
| H33 | C33 | C34 | CC | 158.3° | 178.8° |
| H33 | C33 | C34 | C36 | 40.8° | 58.8° |
| H33 | C33 | C34 | H34 | 73.6° | 61.2° |
| CC | C34 | C36 | H34 | 124.5° | 120.1° |
| C34 | CC | HCA | HCB | 123.5° | 120.0° |
| C34 | CC | HCA | HCC | 121.9° | 120.0° |
| C34 | CC | HCB | HCC | 127.1° | 120.0° |
| CC | C34 | C36 | O36 | 77.4° | 120.0° |
| CC | C34 | C36 | NL | 100.8° | 60.0° |
| C36 | C34 | CC | HCA | 58.5° | 55.4° |
| C36 | C34 | CC | HCB | 59.3° | 175.4° |
| C36 | C34 | CC | HCC | 175.9° | 64.6° |
| C34 | C36 | O36 | NL | 178.1° | 179.9° |
| C34 | C36 | NL | C37 | 176.8° | 180.0° |
| C34 | C36 | NL | HNL | 1.9° | 0.0° |
| H34 | C34 | CC | HCA | 176.3° | 175.5° |
| H34 | C34 | CC | HCB | 58.5° | 64.5° |
| H34 | C34 | CC | HCC | 66.3° | 55.4° |
| H34 | C34 | C36 | O36 | 158.1° | 120.0° |
| H34 | C34 | C36 | NL | 23.7° | 60.1° |
| HCA | CC | HCB | HCC | 112.7° | 120.0° |
| O36 | C36 | NL | C37 | 1.3° | 0.0° |
| O36 | C36 | NL | HNL | 180.0° | 180.0° |
| C36 | NL | C37 | HNL | 178.7° | 180.0° |
| C36 | NL | C37 | C38 | 171.0° | 90.0° |
| C36 | NL | C37 | C40 | 65.8° | 150.0° |
| C36 | NL | C37 | H37 | 54.1° | 30.0° |
| NL | C37 | C38 | C40 | 127.1° | 120.0° |
| NL | C37 | C38 | H37 | 118.4° | 120.1° |
| NL | C37 | C40 | H37 | 121.8° | 120.1° |
| NL | C37 | C38 | OH3 | 45.6° | 59.9° |
| NL | C37 | C38 | CD | 76.3° | 60.1° |
| NL | C37 | C38 | H38 | 154.9° | 179.9° |
| NL | C37 | C40 | O40 | 157.1° | 0.0° |
| NL | C37 | C40 | NM | 24.8° | 180.0° |
| HNL | NL | C37 | C38 | 7.7° | 90.0° |
| HNL | NL | C37 | C40 | 115.5° | 30.0° |
| HNL | NL | C37 | H37 | 124.6° | 150.0° |
| C38 | C37 | C40 | H37 | 115.4° | 119.9° |
| C37 | C38 | OH3 | CD | 120.6° | 120.0° |
| C37 | C38 | OH3 | H38 | 114.0° | 120.1° |
| C37 | C38 | CD | H38 | 124.6° | 120.0° |
| C37 | C38 | OH3 | HO3 | 67.5° | 60.0° |
| C37 | C38 | CD | HDA | 55.5° | 180.0° |
| C37 | C38 | CD | HDB | 174.8° | 60.0° |
| C37 | C38 | CD | HDC | 62.5° | 60.0° |
| C38 | C37 | C40 | O40 | 80.1° | 120.0° |
| C38 | C37 | C40 | NM | 98.0° | 60.0° |
| C40 | C37 | C38 | OH3 | 81.4° | 60.0° |
| C40 | C37 | C38 | CD | 156.6° | 180.0° |
| C40 | C37 | C38 | H38 | 27.9° | 60.0° |
| C37 | C40 | O40 | NM | 178.1° | 180.0° |
| C37 | C40 | NM | C41 | 177.9° | 180.0° |
| C37 | C40 | NM | HNM | 2.4° | 0.0° |
| H37 | C37 | C38 | OH3 | 164.0° | 180.0° |
| H37 | C37 | C38 | CD | 42.1° | 60.0° |
| H37 | C37 | C38 | H38 | 86.7° | 60.0° |
| H37 | C37 | C40 | O40 | 35.3° | 120.1° |
| H37 | C37 | C40 | NM | 146.6° | 60.0° |
| OH3 | C38 | CD | H38 | 117.2° | 120.0° |
| OH3 | C38 | CD | HDA | 173.8° | 60.0° |
| OH3 | C38 | CD | HDB | 66.9° | 180.0° |
| OH3 | C38 | CD | HDC | 55.7° | 60.0° |
| CD | C38 | OH3 | HO3 | 171.8° | 60.0° |
| C38 | CD | HDA | HDB | 123.3° | 120.0° |
| C38 | CD | HDA | HDC | 121.1° | 119.9° |
| C38 | CD | HDB | HDC | 124.3° | 120.0° |
| H38 | C38 | OH3 | HO3 | 46.4° | 180.0° |
| H38 | C38 | CD | HDA | 69.1° | 60.0° |
| H38 | C38 | CD | HDB | 50.2° | 60.0° |
| H38 | C38 | CD | HDC | 172.9° | 179.9° |
| HDA | CD | HDB | HDC | 114.4° | 120.1° |
| O40 | C40 | NM | C41 | 0.1° | 0.0° |
| O40 | C40 | NM | HNM | 179.6° | 180.0° |
| C40 | NM | C41 | HNM | 179.7° | 180.0° |
| C40 | NM | C41 | C42 | 82.4° | 180.0° |
| C40 | NM | C41 | H1E | 154.3° | 60.0° |
| C40 | NM | C41 | H1X | 36.5° | 60.0° |
| NM | C41 | C42 | H1E | 123.1° | 120.0° |
| NM | C41 | C42 | H1X | 119.7° | 119.9° |
| NM | C41 | H1E | H1X | 119.2° | 119.9° |
| NM | C41 | C42 | C43 | 70.9° | 180.0° |
| NM | C41 | C42 | H2E | 170.6° | 60.0° |
| NM | C41 | C42 | H2X | 52.1° | 60.1° |
| HNM | NM | C41 | C42 | 97.3° | 0.1° |
| HNM | NM | C41 | H1E | 26.0° | 120.0° |
| HNM | NM | C41 | H1X | 143.8° | 120.0° |
| C42 | C41 | H1E | H1X | 117.8° | 120.0° |
| C41 | C42 | C43 | H2E | 118.0° | 120.1° |
| C41 | C42 | C43 | H2X | 120.4° | 120.0° |
| C41 | C42 | H2E | H2X | 117.9° | 120.0° |
| C41 | C42 | C43 | S43 | 118.2° | 89.9° |
| C41 | C42 | C43 | NN | 60.6° | 89.7° |
| H1E | C41 | C42 | C43 | 52.1° | 60.0° |
| H1E | C41 | C42 | H2E | 66.4° | 180.0° |
| H1E | C41 | C42 | H2X | 175.2° | 60.0° |
| H1X | C41 | C42 | C43 | 169.4° | 60.0° |
| H1X | C41 | C42 | H2E | 50.9° | 60.0° |
| H1X | C41 | C42 | H2X | 67.5° | 180.0° |
| C43 | C42 | H2E | H2X | 123.7° | 119.9° |
| C42 | C43 | S43 | NN | 179.0° | 179.7° |
| C42 | C43 | S43 | C44 | 178.9° | 180.0° |
| C42 | C43 | NN | C45 | 178.9° | 179.8° |
| H2E | C42 | C43 | S43 | 123.8° | 150.0° |
| H2E | C42 | C43 | NN | 57.4° | 30.3° |
| H2X | C42 | C43 | S43 | 2.1° | 30.0° |
| H2X | C42 | C43 | NN | 179.1° | 150.3° |
| C43 | S43 | C44 | C45 | 0.1° | 0.0° |
| C43 | S43 | C44 | H44 | 179.6° | 180.0° |
| S43 | C43 | NN | C45 | 0.2° | 0.4° |
| NN | C43 | S43 | C44 | 0.1° | 0.2° |
| C43 | NN | C45 | C44 | 0.3° | 0.5° |
| C43 | NN | C45 | C46 | 178.7° | 179.7° |
| S43 | C44 | C45 | H44 | 179.6° | 179.9° |
| S43 | C44 | C45 | NN | 0.2° | 0.2° |
| S43 | C44 | C45 | C46 | 178.7° | 180.0° |
| C44 | C45 | NN | C46 | 179.0° | 179.8° |
| C44 | C45 | C46 | S46 | 177.7° | 179.9° |
| C44 | C45 | C46 | NO | 0.7° | 0.3° |
| H44 | C44 | C45 | NN | 179.8° | 179.7° |
| H44 | C44 | C45 | C46 | 0.9° | 0.1° |
| NN | C45 | C46 | S46 | 1.1° | 0.3° |
| NN | C45 | C46 | NO | 178.2° | 179.9° |
| C45 | C46 | S46 | NO | 177.5° | 179.7° |
| C45 | C46 | S46 | C47 | 179.9° | 180.0° |
| C45 | C46 | NO | C48 | 178.8° | 179.8° |
| C46 | S46 | C47 | C48 | 3.0° | 0.0° |
| C46 | S46 | C47 | H47 | 178.5° | 180.0° |
| S46 | C46 | NO | C48 | 1.2° | 0.5° |
| NO | C46 | S46 | C47 | 2.5° | 0.3° |
| C46 | NO | C48 | C47 | 1.0° | 0.6° |
| C46 | NO | C48 | C49 | 177.1° | 179.7° |
| S46 | C47 | C48 | H47 | 178.6° | 180.0° |
| S46 | C47 | C48 | NO | 2.6° | 0.3° |
| S46 | C47 | C48 | C49 | 175.5° | 180.0° |
| C47 | C48 | NO | C49 | 178.2° | 179.7° |
| C47 | C48 | C49 | O49 | 174.3° | 0.0° |
| C47 | C48 | C49 | NP | 3.5° | 180.0° |
| H47 | C47 | C48 | NO | 178.9° | 179.7° |
| H47 | C47 | C48 | C49 | 3.1° | 0.0° |
| NO | C48 | C49 | O49 | 7.7° | 179.7° |
| NO | C48 | C49 | NP | 174.5° | 0.2° |
| C48 | C49 | O49 | NP | 177.8° | 180.0° |
| C48 | C49 | NP | C51 | 179.7° | 180.0° |
| C48 | C49 | NP | HNP | 3.1° | 0.0° |
| O49 | C49 | NP | C51 | 1.9° | 0.1° |
| O49 | C49 | NP | HNP | 179.1° | 180.0° |
| C49 | NP | C51 | HNP | 177.3° | 180.0° |
| C49 | NP | C51 | C52 | 99.0° | 179.9° |
| C49 | NP | C51 | H6E | 142.4° | 60.0° |
| C49 | NP | C51 | H6X | 25.4° | 60.1° |
| NP | C51 | C52 | H6E | 118.3° | 120.0° |
| NP | C51 | C52 | H6X | 123.4° | 120.0° |
| NP | C51 | H6E | H6X | 118.7° | 120.1° |
| NP | C51 | C52 | C53 | 76.1° | 180.0° |
| NP | C51 | C52 | H7E | 48.1° | 60.0° |
| NP | C51 | C52 | H7X | 158.2° | 60.0° |
| HNP | NP | C51 | C52 | 78.4° | 0.0° |
| HNP | NP | C51 | H6E | 40.2° | 120.0° |
| HNP | NP | C51 | H6X | 157.3° | 120.0° |
| C52 | C51 | H6E | H6X | 121.0° | 119.9° |
| C51 | C52 | C53 | H7E | 116.6° | 120.0° |
| C51 | C52 | C53 | H7X | 123.5° | 120.1° |
| C51 | C52 | H7E | H7X | 114.0° | 120.0° |
| C51 | C52 | C53 | NQ | 65.0° | 180.0° |
| C51 | C52 | C53 | H8E | 45.4° | 60.0° |
| C51 | C52 | C53 | H8X | 167.0° | 60.0° |
| H6E | C51 | C52 | C53 | 165.6° | 60.0° |
| H6E | C51 | C52 | H7E | 70.2° | 179.9° |
| H6E | C51 | C52 | H7X | 39.9° | 60.1° |
| H6X | C51 | C52 | C53 | 47.3° | 60.0° |
| H6X | C51 | C52 | H7E | 171.4° | 60.0° |
| H6X | C51 | C52 | H7X | 78.4° | 180.0° |
| C53 | C52 | H7E | H7X | 124.8° | 120.0° |
| C52 | C53 | NQ | H8E | 110.7° | 120.0° |
| C52 | C53 | NQ | H8X | 132.4° | 120.0° |
| C52 | C53 | H8E | H8X | 126.1° | 120.1° |
| C52 | C53 | NQ | C54 | 86.2° | 180.0° |
| C52 | C53 | NQ | HNQ | 60.5° | 66.2° |
| H7E | C52 | C53 | NQ | 178.4° | 60.0° |
| H7E | C52 | C53 | H8E | 71.2° | 180.0° |
| H7E | C52 | C53 | H8X | 50.3° | 59.9° |
| H7X | C52 | C53 | NQ | 58.5° | 60.0° |
| H7X | C52 | C53 | H8E | 168.9° | 60.0° |
| H7X | C52 | C53 | H8X | 69.6° | 179.9° |
| NQ | C53 | H8E | H8X | 115.4° | 119.9° |
| C53 | NQ | C54 | HNQ | 145.8° | 113.8° |
| C53 | NQ | C54 | CE | 77.2° | 90.0° |
| C53 | NQ | C54 | C56 | 161.2° | 150.0° |
| C53 | NQ | C54 | H54 | 39.6° | 30.0° |
| H8E | C53 | NQ | C54 | 163.1° | 59.9° |
| H8E | C53 | NQ | HNQ | 50.2° | 173.8° |
| H8X | C53 | NQ | C54 | 46.2° | 60.0° |
| H8X | C53 | NQ | HNQ | 167.0° | 53.8° |
| NQ | C54 | CE | C56 | 122.0° | 120.0° |
| NQ | C54 | CE | H54 | 115.8° | 120.0° |
| NQ | C54 | CE | HEA | 63.6° | 60.0° |
| NQ | C54 | CE | HEB | 58.5° | 180.0° |
| NQ | C54 | CE | HEC | 178.1° | 60.0° |
| NQ | C54 | C56 | H54 | 116.6° | 120.0° |
| NQ | C54 | C56 | C57 | 43.7° | 150.0° |
| NQ | C54 | C56 | C61 | 136.1° | 30.2° |
| HNQ | NQ | C54 | CE | 136.9° | 23.8° |
| HNQ | NQ | C54 | C56 | 15.4° | 96.2° |
| HNQ | NQ | C54 | H54 | 106.2° | 143.8° |
| C54 | CE | HEA | HEB | 125.2° | 120.0° |
| C54 | CE | HEA | HEC | 121.6° | 120.0° |
| C54 | CE | HEB | HEC | 122.3° | 120.0° |
| CE | C54 | C56 | H54 | 118.4° | 120.0° |
| CE | C54 | C56 | C57 | 81.2° | 90.0° |
| CE | C54 | C56 | C61 | 99.0° | 89.7° |
| HEA | CE | HEB | HEC | 112.6° | 120.0° |
| HEA | CE | C54 | C56 | 58.3° | 60.0° |
| HEA | CE | C54 | H54 | 179.4° | 180.0° |
| HEB | CE | C54 | C56 | 179.6° | 60.0° |
| HEB | CE | C54 | H54 | 57.4° | 60.0° |
| HEC | CE | C54 | C56 | 60.0° | 180.0° |
| HEC | CE | C54 | H54 | 62.3° | 60.0° |
| C54 | C56 | C57 | C61 | 179.8° | 179.7° |
| C54 | C56 | C57 | C58 | 179.9° | 180.0° |
| C54 | C56 | C57 | H57 | 0.4° | 0.0° |
| C54 | C56 | C61 | C60 | 180.0° | 179.8° |
| C54 | C56 | C61 | H61 | 0.3° | 0.2° |
| H54 | C54 | C56 | C57 | 160.3° | 30.0° |
| H54 | C54 | C56 | C61 | 19.4° | 150.3° |
| C56 | C57 | C58 | H57 | 179.5° | 180.0° |
| C56 | C57 | C58 | C59 | 0.0° | 0.0° |
| C56 | C57 | C58 | H58 | 179.9° | 179.9° |
| C57 | C56 | C61 | C60 | 0.2° | 0.5° |
| C57 | C56 | C61 | H61 | 179.5° | 179.9° |
| C61 | C56 | C57 | C58 | 0.2° | 0.3° |
| C61 | C56 | C57 | H57 | 179.3° | 179.7° |
| C56 | C61 | C60 | C59 | 0.0° | 0.5° |
| C56 | C61 | C60 | H61 | 179.7° | 179.5° |
| C56 | C61 | C60 | H60 | 179.8° | 179.7° |
| C57 | C58 | C59 | H58 | 179.9° | 180.0° |
| C57 | C58 | C59 | C60 | 0.1° | 0.0° |
| C57 | C58 | C59 | H59 | 179.9° | 179.9° |
| H57 | C57 | C58 | C59 | 179.5° | 180.0° |
| H57 | C57 | C58 | H58 | 0.4° | 0.0° |
| C58 | C59 | C60 | H59 | 179.8° | 179.9° |
| C58 | C59 | C60 | C61 | 0.1° | 0.2° |
| C58 | C59 | C60 | H60 | 180.0° | 179.9° |
| H58 | C58 | C59 | C60 | 179.7° | 180.0° |
| H58 | C58 | C59 | H59 | 0.1° | 0.1° |
| C59 | C60 | C61 | H60 | 179.9° | 179.8° |
| C59 | C60 | C61 | H61 | 179.7° | 180.0° |
| H59 | C59 | C60 | C61 | 179.9° | 179.9° |
| H59 | C59 | C60 | H60 | 0.2° | 0.0° |
| H60 | C60 | C61 | H61 | 0.4° | 0.1° |
