PL1
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.51Å | 1.53Å | |
| C1 | NA | sing | 1.35Å | 1.34Å | |
| C1 | O1 | doub | 1.21Å | 1.22Å | |
| C10 | C12 | sing | 1.48Å | 1.44Å | |
| C10 | C9 | sing | 1.39Å | 1.38Å | Aromatic |
| C10 | NG | doub | 1.33Å | 1.35Å | Aromatic |
| C12 | NH | sing | 1.35Å | 1.35Å | |
| C12 | O12 | doub | 1.21Å | 1.23Å | |
| C13 | C14 | sing | 1.53Å | 1.51Å | |
| C13 | C30 | sing | 1.51Å | 1.53Å | |
| C13 | NH | sing | 1.46Å | 1.47Å | |
| C13 | H13 | sing | 1.09Å | 1.09Å | |
| C14 | C27 | sing | 1.51Å | 1.49Å | |
| C14 | OH1 | sing | 1.43Å | 1.42Å | |
| C14 | H14 | sing | 1.09Å | 1.08Å | |
| C2 | C3 | sing | 1.53Å | 1.53Å | |
| C2 | NB | sing | 1.47Å | 1.50Å | |
| C2 | H2 | sing | 1.09Å | 1.11Å | |
| C27 | C28 | doub | 1.35Å | 1.35Å | Aromatic |
| C27 | NJ | sing | 1.34Å | 1.36Å | Aromatic |
| C28 | NI | sing | 1.37Å | 1.33Å | Aromatic |
| C28 | H28 | sing | 1.08Å | 1.08Å | |
| C29 | NI | sing | 1.35Å | 1.34Å | Aromatic |
| C29 | NJ | doub | 1.30Å | 1.36Å | Aromatic |
| C29 | H29 | sing | 1.08Å | 1.06Å | |
| C3 | NC | sing | 1.47Å | 1.49Å | |
| C3 | H3E | sing | 1.09Å | 1.10Å | |
| C3 | H3X | sing | 1.09Å | 1.09Å | |
| C30 | NK | sing | 1.35Å | 1.32Å | |
| C30 | O30 | doub | 1.21Å | 1.23Å | |
| C31 | C33 | sing | 1.53Å | 1.53Å | |
| C31 | CB | sing | 1.53Å | 1.58Å | |
| C31 | NK | sing | 1.46Å | 1.43Å | |
| C31 | H31 | sing | 1.09Å | 1.08Å | |
| C33 | C34 | sing | 1.53Å | 1.60Å | |
| C33 | OH2 | sing | 1.43Å | 1.40Å | |
| C33 | H33 | sing | 1.09Å | 1.07Å | |
| C34 | C36 | sing | 1.51Å | 1.58Å | |
| C34 | CC | sing | 1.53Å | 1.54Å | |
| C34 | H34 | sing | 1.09Å | 1.11Å | |
| C36 | NL | sing | 1.35Å | 1.37Å | |
| C36 | O36 | doub | 1.21Å | 1.23Å | |
| C37 | C38 | sing | 1.53Å | 1.57Å | |
| C37 | C40 | sing | 1.51Å | 1.59Å | |
| C37 | NL | sing | 1.46Å | 1.51Å | |
| C37 | H37 | sing | 1.09Å | 1.11Å | |
| C38 | CD | sing | 1.53Å | 1.55Å | |
| C38 | OH3 | sing | 1.43Å | 1.41Å | |
| C38 | H38 | sing | 1.09Å | 1.10Å | |
| C4 | C5 | sing | 1.51Å | 1.46Å | |
| C4 | ND | sing | 1.35Å | 1.33Å | |
| C4 | O4 | doub | 1.21Å | 1.21Å | |
| C40 | NM | sing | 1.35Å | 1.37Å | |
| C40 | O40 | doub | 1.21Å | 1.23Å | |
| C41 | C42 | sing | 1.53Å | 1.55Å | |
| C41 | NM | sing | 1.47Å | 1.48Å | |
| C41 | H1E | sing | 1.09Å | 1.09Å | |
| C41 | H1X | sing | 1.09Å | 1.08Å | |
| C42 | C43 | sing | 1.51Å | 1.49Å | |
| C42 | H2E | sing | 1.09Å | 1.09Å | |
| C42 | H2X | sing | 1.09Å | 1.08Å | |
| C43 | NN | doub | 1.31Å | 1.33Å | Aromatic |
| C43 | S43 | sing | 1.74Å | 1.80Å | Aromatic |
| C44 | C45 | doub | 1.37Å | 1.35Å | Aromatic |
| C44 | S43 | sing | 1.79Å | 1.80Å | Aromatic |
| C44 | H44 | sing | 1.08Å | 1.09Å | |
| C45 | C46 | sing | 1.48Å | 1.34Å | Aromatic |
| C45 | NN | sing | 1.33Å | 1.34Å | Aromatic |
| C46 | NO | doub | 1.32Å | 1.34Å | Aromatic |
| C46 | S46 | sing | 1.79Å | 1.78Å | Aromatic |
| C47 | C48 | doub | 1.37Å | 1.35Å | Aromatic |
| C47 | S46 | sing | 1.74Å | 1.80Å | Aromatic |
| C47 | H47 | sing | 1.08Å | 1.06Å | |
| C48 | C49 | sing | 1.47Å | 1.48Å | |
| C48 | NO | sing | 1.33Å | 1.34Å | Aromatic |
| C49 | NP | sing | 1.35Å | 1.35Å | |
| C49 | O49 | doub | 1.22Å | 1.23Å | |
| C5 | C6 | sing | 1.53Å | 1.55Å | |
| C5 | H5E | sing | 1.09Å | 1.11Å | |
| C5 | H5X | sing | 1.09Å | 1.09Å | |
| C51 | C52 | sing | 1.53Å | 1.57Å | |
| C51 | NP | sing | 1.46Å | 1.48Å | |
| C51 | H6E | sing | 1.09Å | 1.08Å | |
| C51 | H6X | sing | 1.09Å | 1.10Å | |
| C52 | C53 | sing | 1.53Å | 1.60Å | |
| C52 | H7E | sing | 1.09Å | 1.09Å | |
| C52 | H7X | sing | 1.09Å | 1.11Å | |
| C53 | NQ | sing | 1.47Å | 1.53Å | |
| C53 | H8E | sing | 1.09Å | 1.10Å | |
| C53 | H8X | sing | 1.09Å | 1.11Å | |
| C54 | C56 | sing | 1.51Å | 1.63Å | |
| C54 | CE | sing | 1.53Å | 1.60Å | |
| C54 | NQ | sing | 1.47Å | 1.53Å | |
| C54 | H54 | sing | 1.09Å | 1.14Å | |
| C56 | C57 | doub | 1.38Å | 1.41Å | Aromatic |
| C56 | C61 | sing | 1.38Å | 1.41Å | Aromatic |
| C57 | C58 | sing | 1.38Å | 1.38Å | Aromatic |
| C57 | H57 | sing | 1.08Å | 1.09Å | |
| C58 | C59 | doub | 1.38Å | 1.36Å | Aromatic |
| C58 | H58 | sing | 1.08Å | 1.10Å | |
| C59 | C60 | sing | 1.38Å | 1.36Å | Aromatic |
| C59 | H59 | sing | 1.08Å | 1.10Å | |
| C6 | C7 | sing | 1.51Å | 1.47Å | |
| C6 | NC | sing | 1.47Å | 1.53Å | |
| C6 | H6 | sing | 1.09Å | 1.12Å | |
| C60 | C61 | doub | 1.38Å | 1.38Å | Aromatic |
| C60 | H60 | sing | 1.08Å | 1.10Å | |
| C61 | H61 | sing | 1.08Å | 1.09Å | |
| C7 | NE | doub | 1.32Å | 1.36Å | Aromatic |
| C7 | NG | sing | 1.32Å | 1.32Å | Aromatic |
| C8 | C9 | doub | 1.40Å | 1.36Å | Aromatic |
| C8 | NE | sing | 1.33Å | 1.35Å | Aromatic |
| C8 | NF | sing | 1.39Å | 1.32Å | |
| C9 | CA | sing | 1.51Å | 1.52Å | |
| CA | HAA | sing | 1.09Å | 1.10Å | |
| CA | HAB | sing | 1.09Å | 1.08Å | |
| CA | HAC | sing | 1.09Å | 1.09Å | |
| CB | HBA | sing | 1.09Å | 1.10Å | |
| CB | HBB | sing | 1.09Å | 1.08Å | |
| CB | HBC | sing | 1.09Å | 1.10Å | |
| CC | HCA | sing | 1.09Å | 1.10Å | |
| CC | HCB | sing | 1.09Å | 1.08Å | |
| CC | HCC | sing | 1.09Å | 1.09Å | |
| CD | HDA | sing | 1.09Å | 1.09Å | |
| CD | HDB | sing | 1.09Å | 1.08Å | |
| CD | HDC | sing | 1.09Å | 1.08Å | |
| CE | HEA | sing | 1.09Å | 1.10Å | |
| CE | HEB | sing | 1.09Å | 1.10Å | |
| CE | HEC | sing | 1.09Å | 1.10Å | |
| NA | HA1 | sing | 0.97Å | 1.02Å | |
| NA | HA2 | sing | 0.97Å | 1.01Å | |
| NB | HB1 | sing | 1.01Å | 1.02Å | |
| NB | HB2 | sing | 1.01Å | 1.01Å | |
| NC | HNC | sing | 1.01Å | 1.01Å | |
| ND | HD1 | sing | 0.97Å | 1.01Å | |
| ND | HD2 | sing | 0.97Å | 1.01Å | |
| NF | HF1 | sing | 0.97Å | 1.00Å | |
| NF | HF2 | sing | 0.97Å | 1.02Å | |
| NG | CO | sing | 1.81Å | 1.92Å | |
| NH | HNH | sing | 0.97Å | 1.02Å | |
| NI | HNI | sing | 0.97Å | 1.01Å | |
| NK | HNK | sing | 0.97Å | 1.00Å | |
| NL | HNL | sing | 0.97Å | 1.02Å | |
| NM | HNM | sing | 0.97Å | 1.01Å | |
| NP | HNP | sing | 0.97Å | 1.01Å | |
| NQ | HNQ | sing | 1.01Å | 1.02Å | |
| O1P | O2P | sing | 1.47Å | 1.45Å | |
| O1P | CO | sing | 1.72Å | 1.95Å | |
| O2P | H2P | sing | 0.97Å | 0.96Å | |
| OH1 | HO1 | sing | 0.97Å | 0.97Å | |
| OH2 | HO2 | sing | 0.97Å | 0.97Å | |
| OH3 | HO3 | sing | 0.97Å | 0.96Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | NA | 119.2° | 120.0° |
| C2 | C1 | O1 | 119.4° | 120.1° |
| C1 | C2 | C3 | 108.3° | 109.5° |
| C1 | C2 | NB | 114.4° | 109.5° |
| C1 | C2 | H2 | 102.4° | 109.5° |
| NA | C1 | O1 | 121.4° | 120.0° |
| C1 | NA | HA1 | 118.4° | 120.0° |
| C1 | NA | HA2 | 121.5° | 120.0° |
| C12 | C10 | C9 | 127.3° | 120.5° |
| C12 | C10 | NG | 112.1° | 120.5° |
| C10 | C12 | NH | 115.8° | 120.0° |
| C10 | C12 | O12 | 121.0° | 120.0° |
| C9 | C10 | NG | 120.3° | 119.0° |
| C10 | C9 | C8 | 116.9° | 118.2° |
| C10 | C9 | CA | 126.9° | 120.9° |
| C10 | NG | C7 | 121.8° | 120.9° |
| C10 | NG | CO | 119.3° | 119.6° |
| NH | C12 | O12 | 123.2° | 120.0° |
| C12 | NH | C13 | 118.4° | 120.0° |
| C12 | NH | HNH | 116.6° | 120.0° |
| C14 | C13 | C30 | 113.7° | 109.4° |
| C14 | C13 | NH | 105.7° | 109.4° |
| C14 | C13 | H13 | 106.8° | 109.4° |
| C13 | C14 | C27 | 110.0° | 109.4° |
| C13 | C14 | OH1 | 106.9° | 109.5° |
| C13 | C14 | H14 | 107.6° | 109.5° |
| C30 | C13 | NH | 114.9° | 109.5° |
| C30 | C13 | H13 | 104.0° | 109.5° |
| C13 | C30 | NK | 115.8° | 120.0° |
| C13 | C30 | O30 | 121.3° | 120.0° |
| NH | C13 | H13 | 111.6° | 109.5° |
| C13 | NH | HNH | 125.1° | 120.0° |
| C27 | C14 | OH1 | 111.1° | 109.4° |
| C27 | C14 | H14 | 109.0° | 109.5° |
| C14 | C27 | C28 | 123.3° | 125.9° |
| C14 | C27 | NJ | 126.2° | 126.0° |
| OH1 | C14 | H14 | 112.1° | 109.5° |
| C14 | OH1 | HO1 | 107.2° | 106.8° |
| C3 | C2 | NB | 110.1° | 109.4° |
| C3 | C2 | H2 | 106.7° | 109.5° |
| C2 | C3 | NC | 112.2° | 109.5° |
| C2 | C3 | H3E | 106.4° | 109.4° |
| C2 | C3 | H3X | 107.6° | 109.5° |
| NB | C2 | H2 | 114.4° | 109.5° |
| C2 | NB | HB1 | 111.7° | 106.7° |
| C2 | NB | HB2 | 106.6° | 106.7° |
| C28 | C27 | NJ | 110.5° | 108.0° |
| C27 | C28 | NI | 107.2° | 106.8° |
| C27 | C28 | H28 | 128.4° | 126.6° |
| C27 | NJ | C29 | 103.6° | 109.2° |
| NI | C28 | H28 | 124.4° | 126.6° |
| C28 | NI | C29 | 107.7° | 107.2° |
| C28 | NI | HNI | 127.1° | 126.4° |
| NI | C29 | NJ | 110.9° | 108.7° |
| NI | C29 | H29 | 115.5° | 125.7° |
| C29 | NI | HNI | 125.2° | 126.4° |
| NJ | C29 | H29 | 133.6° | 125.6° |
| NC | C3 | H3E | 112.1° | 109.4° |
| NC | C3 | H3X | 110.9° | 109.5° |
| C3 | NC | C6 | 117.2° | 106.7° |
| C3 | NC | HNC | 107.2° | 106.7° |
| H3E | C3 | H3X | 107.2° | 109.5° |
| NK | C30 | O30 | 122.9° | 120.0° |
| C30 | NK | C31 | 132.0° | 120.0° |
| C30 | NK | HNK | 118.3° | 120.0° |
| C33 | C31 | CB | 123.4° | 109.4° |
| C33 | C31 | NK | 103.7° | 109.5° |
| C33 | C31 | H31 | 94.4° | 109.5° |
| C31 | C33 | C34 | 120.6° | 109.4° |
| C31 | C33 | OH2 | 113.0° | 109.5° |
| C31 | C33 | H33 | 92.2° | 109.5° |
| CB | C31 | NK | 97.3° | 109.5° |
| CB | C31 | H31 | 116.6° | 109.4° |
| C31 | CB | HBA | 111.0° | 109.5° |
| C31 | CB | HBB | 117.7° | 109.5° |
| C31 | CB | HBC | 111.5° | 109.4° |
| NK | C31 | H31 | 123.0° | 109.5° |
| C31 | NK | HNK | 109.7° | 120.0° |
| C34 | C33 | OH2 | 104.4° | 109.5° |
| C34 | C33 | H33 | 121.8° | 109.5° |
| C33 | C34 | C36 | 111.2° | 109.4° |
| C33 | C34 | CC | 113.6° | 109.5° |
| C33 | C34 | H34 | 116.6° | 109.4° |
| OH2 | C33 | H33 | 103.9° | 109.5° |
| C33 | OH2 | HO2 | 111.7° | 106.8° |
| C36 | C34 | CC | 119.8° | 109.4° |
| C36 | C34 | H34 | 103.0° | 109.5° |
| C34 | C36 | NL | 123.8° | 120.0° |
| C34 | C36 | O36 | 116.9° | 120.0° |
| CC | C34 | H34 | 90.7° | 109.5° |
| C34 | CC | HCA | 107.5° | 109.4° |
| C34 | CC | HCB | 112.2° | 109.4° |
| C34 | CC | HCC | 112.3° | 109.5° |
| NL | C36 | O36 | 119.2° | 120.0° |
| C36 | NL | C37 | 124.6° | 120.0° |
| C36 | NL | HNL | 119.3° | 120.0° |
| C38 | C37 | C40 | 107.9° | 109.5° |
| C38 | C37 | NL | 103.1° | 109.5° |
| C38 | C37 | H37 | 104.9° | 109.5° |
| C37 | C38 | CD | 106.2° | 109.5° |
| C37 | C38 | OH3 | 116.9° | 109.5° |
| C37 | C38 | H38 | 113.8° | 109.5° |
| C40 | C37 | NL | 109.0° | 109.5° |
| C40 | C37 | H37 | 115.3° | 109.4° |
| C37 | C40 | NM | 120.1° | 120.0° |
| C37 | C40 | O40 | 118.6° | 120.0° |
| NL | C37 | H37 | 115.5° | 109.5° |
| C37 | NL | HNL | 115.3° | 120.0° |
| CD | C38 | OH3 | 103.3° | 109.5° |
| CD | C38 | H38 | 119.5° | 109.4° |
| C38 | CD | HDA | 111.4° | 109.5° |
| C38 | CD | HDB | 111.3° | 109.5° |
| C38 | CD | HDC | 111.0° | 109.5° |
| OH3 | C38 | H38 | 96.9° | 109.4° |
| C38 | OH3 | HO3 | 108.7° | 106.8° |
| C5 | C4 | ND | 121.9° | 120.0° |
| C5 | C4 | O4 | 112.8° | 120.0° |
| C4 | C5 | C6 | 113.9° | 109.5° |
| C4 | C5 | H5E | 103.3° | 109.5° |
| C4 | C5 | H5X | 100.6° | 109.5° |
| ND | C4 | O4 | 125.3° | 120.0° |
| C4 | ND | HD1 | 122.3° | 120.0° |
| C4 | ND | HD2 | 114.4° | 120.1° |
| NM | C40 | O40 | 121.3° | 120.0° |
| C40 | NM | C41 | 137.3° | 120.0° |
| C40 | NM | HNM | 114.1° | 120.0° |
| C42 | C41 | NM | 105.3° | 109.5° |
| C42 | C41 | H1E | 109.2° | 109.5° |
| C42 | C41 | H1X | 110.9° | 109.5° |
| C41 | C42 | C43 | 122.2° | 109.5° |
| C41 | C42 | H2E | 111.4° | 109.4° |
| C41 | C42 | H2X | 107.5° | 109.5° |
| NM | C41 | H1E | 105.9° | 109.4° |
| NM | C41 | H1X | 118.5° | 109.5° |
| C41 | NM | HNM | 108.5° | 120.0° |
| H1E | C41 | H1X | 106.6° | 109.5° |
| C43 | C42 | H2E | 101.7° | 109.5° |
| C43 | C42 | H2X | 99.9° | 109.5° |
| C42 | C43 | NN | 124.8° | 128.7° |
| C42 | C43 | S43 | 122.3° | 128.8° |
| H2E | C42 | H2X | 113.9° | 109.5° |
| NN | C43 | S43 | 112.6° | 102.5° |
| C43 | NN | C45 | 113.9° | 121.5° |
| C43 | S43 | C44 | 87.0° | 97.6° |
| C45 | C44 | S43 | 110.4° | 100.6° |
| C45 | C44 | H44 | 124.0° | 129.7° |
| C44 | C45 | C46 | 123.2° | 121.1° |
| C44 | C45 | NN | 116.1° | 117.8° |
| S43 | C44 | H44 | 125.6° | 129.7° |
| C46 | C45 | NN | 120.6° | 121.1° |
| C45 | C46 | NO | 124.4° | 129.1° |
| C45 | C46 | S46 | 122.5° | 129.2° |
| NO | C46 | S46 | 113.0° | 101.7° |
| C46 | NO | C48 | 114.6° | 119.9° |
| C46 | S46 | C47 | 86.3° | 97.7° |
| C48 | C47 | S46 | 112.0° | 101.5° |
| C48 | C47 | H47 | 129.2° | 129.2° |
| C47 | C48 | C49 | 127.5° | 120.4° |
| C47 | C48 | NO | 114.1° | 119.1° |
| S46 | C47 | H47 | 118.7° | 129.2° |
| C49 | C48 | NO | 118.4° | 120.4° |
| C48 | C49 | NP | 123.3° | 120.0° |
| C48 | C49 | O49 | 115.5° | 120.0° |
| NP | C49 | O49 | 121.1° | 120.0° |
| C49 | NP | C51 | 128.2° | 120.0° |
| C49 | NP | HNP | 117.1° | 120.0° |
| C6 | C5 | H5E | 114.3° | 109.5° |
| C6 | C5 | H5X | 111.8° | 109.4° |
| C5 | C6 | C7 | 96.8° | 109.5° |
| C5 | C6 | NC | 118.3° | 109.5° |
| C5 | C6 | H6 | 110.8° | 109.5° |
| H5E | C5 | H5X | 111.9° | 109.4° |
| C52 | C51 | NP | 113.4° | 109.5° |
| C52 | C51 | H6E | 111.1° | 109.5° |
| C52 | C51 | H6X | 114.4° | 109.5° |
| C51 | C52 | C53 | 119.2° | 109.5° |
| C51 | C52 | H7E | 102.5° | 109.4° |
| C51 | C52 | H7X | 105.6° | 109.4° |
| NP | C51 | H6E | 106.0° | 109.5° |
| NP | C51 | H6X | 106.0° | 109.5° |
| C51 | NP | HNP | 114.7° | 120.0° |
| H6E | C51 | H6X | 105.2° | 109.4° |
| C53 | C52 | H7E | 109.4° | 109.5° |
| C53 | C52 | H7X | 114.9° | 109.5° |
| C52 | C53 | NQ | 114.4° | 109.4° |
| C52 | C53 | H8E | 108.0° | 109.5° |
| C52 | C53 | H8X | 111.4° | 109.5° |
| H7E | C52 | H7X | 103.5° | 109.5° |
| NQ | C53 | H8E | 114.4° | 109.4° |
| NQ | C53 | H8X | 106.6° | 109.5° |
| C53 | NQ | C54 | 131.4° | 106.7° |
| C53 | NQ | HNQ | 114.0° | 106.7° |
| H8E | C53 | H8X | 101.3° | 109.5° |
| C56 | C54 | CE | 115.7° | 109.4° |
| C56 | C54 | NQ | 112.8° | 109.5° |
| C56 | C54 | H54 | 109.4° | 109.4° |
| C54 | C56 | C57 | 123.9° | 120.0° |
| C54 | C56 | C61 | 122.2° | 120.0° |
| CE | C54 | NQ | 106.7° | 109.5° |
| CE | C54 | H54 | 108.4° | 109.5° |
| C54 | CE | HEA | 114.8° | 109.4° |
| C54 | CE | HEB | 114.0° | 109.5° |
| C54 | CE | HEC | 116.4° | 109.5° |
| NQ | C54 | H54 | 103.0° | 109.5° |
| C54 | NQ | HNQ | 113.3° | 106.7° |
| C57 | C56 | C61 | 113.9° | 120.0° |
| C56 | C57 | C58 | 122.7° | 120.0° |
| C56 | C57 | H57 | 127.0° | 120.0° |
| C56 | C61 | C60 | 122.8° | 120.0° |
| C56 | C61 | H61 | 127.1° | 120.0° |
| C58 | C57 | H57 | 110.2° | 120.0° |
| C57 | C58 | C59 | 120.5° | 120.0° |
| C57 | C58 | H58 | 122.1° | 120.0° |
| C59 | C58 | H58 | 117.3° | 120.0° |
| C58 | C59 | C60 | 119.4° | 120.0° |
| C58 | C59 | H59 | 120.5° | 120.0° |
| C60 | C59 | H59 | 120.1° | 120.0° |
| C59 | C60 | C61 | 120.5° | 120.0° |
| C59 | C60 | H60 | 117.6° | 120.0° |
| C7 | C6 | NC | 109.4° | 109.5° |
| C7 | C6 | H6 | 109.1° | 109.5° |
| C6 | C7 | NE | 122.8° | 119.0° |
| C6 | C7 | NG | 117.6° | 119.0° |
| NC | C6 | H6 | 111.3° | 109.4° |
| C6 | NC | HNC | 102.7° | 106.7° |
| C61 | C60 | H60 | 121.8° | 120.1° |
| C60 | C61 | H61 | 110.1° | 120.0° |
| NE | C7 | NG | 119.4° | 122.0° |
| C7 | NE | C8 | 119.5° | 120.9° |
| C7 | NG | CO | 119.0° | 119.5° |
| C9 | C8 | NE | 121.9° | 119.0° |
| C9 | C8 | NF | 122.5° | 120.5° |
| C8 | C9 | CA | 116.1° | 120.9° |
| NE | C8 | NF | 115.6° | 120.5° |
| C8 | NF | HF1 | 123.4° | 120.0° |
| C8 | NF | HF2 | 120.7° | 120.0° |
| C9 | CA | HAA | 109.4° | 109.5° |
| C9 | CA | HAB | 113.1° | 109.5° |
| C9 | CA | HAC | 110.9° | 109.5° |
| HAA | CA | HAB | 104.9° | 109.5° |
| HAA | CA | HAC | 104.1° | 109.5° |
| HAB | CA | HAC | 114.0° | 109.4° |
| HBA | CB | HBB | 107.2° | 109.5° |
| HBA | CB | HBC | 101.0° | 109.5° |
| HBB | CB | HBC | 107.0° | 109.5° |
| HCA | CC | HCB | 107.7° | 109.5° |
| HCA | CC | HCC | 105.9° | 109.5° |
| HCB | CC | HCC | 110.8° | 109.5° |
| HDA | CD | HDB | 102.3° | 109.5° |
| HDA | CD | HDC | 107.3° | 109.5° |
| HDB | CD | HDC | 113.1° | 109.4° |
| HEA | CE | HEB | 102.3° | 109.5° |
| HEA | CE | HEC | 104.1° | 109.4° |
| HEB | CE | HEC | 103.6° | 109.5° |
| HA1 | NA | HA2 | 120.0° | 120.0° |
| HB1 | NB | HB2 | 112.1° | 106.7° |
| HD1 | ND | HD2 | 123.2° | 119.9° |
| HF1 | NF | HF2 | 115.9° | 120.0° |
| NG | CO | O1P | 85.5° | 180.0° |
| O2P | O1P | CO | 116.0° | 106.8° |
| O1P | O2P | H2P | 114.5° | 106.8° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | NA | O1 | 180.0° | 180.0° |
| C1 | C2 | C3 | NB | 125.8° | 120.0° |
| C1 | C2 | C3 | H2 | 109.6° | 120.1° |
| C1 | C2 | NB | H2 | 117.6° | 120.0° |
| C1 | C2 | C3 | NC | 136.0° | 175.0° |
| C1 | C2 | C3 | H3E | 101.0° | 65.1° |
| C1 | C2 | C3 | H3X | 13.7° | 55.0° |
| C2 | C1 | NA | HA1 | 3.5° | 0.0° |
| C2 | C1 | NA | HA2 | 179.3° | 180.0° |
| C1 | C2 | NB | HB1 | 21.4° | 60.0° |
| C1 | C2 | NB | HB2 | 144.2° | 173.8° |
| NA | C1 | C2 | C3 | 76.8° | 80.0° |
| NA | C1 | C2 | NB | 160.0° | 160.0° |
| NA | C1 | C2 | H2 | 35.7° | 40.0° |
| C1 | NA | HA1 | HA2 | 177.3° | 179.9° |
| O1 | C1 | C2 | C3 | 103.2° | 99.9° |
| O1 | C1 | C2 | NB | 20.0° | 20.0° |
| O1 | C1 | C2 | H2 | 144.3° | 140.0° |
| O1 | C1 | NA | HA1 | 176.5° | 180.0° |
| O1 | C1 | NA | HA2 | 0.7° | 0.0° |
| C12 | C10 | C9 | NG | 173.1° | 179.7° |
| C10 | C12 | NH | O12 | 178.8° | 180.0° |
| C10 | C12 | NH | C13 | 177.6° | 173.9° |
| C12 | C10 | NG | C7 | 177.3° | 179.7° |
| C12 | C10 | C9 | C8 | 173.7° | 180.0° |
| C12 | C10 | C9 | CA | 10.9° | 0.0° |
| C12 | C10 | NG | CO | 2.2° | 0.3° |
| C10 | C12 | NH | HNH | 2.5° | 6.0° |
| C9 | C10 | C12 | NH | 174.0° | 88.1° |
| C9 | C10 | C12 | O12 | 4.8° | 91.9° |
| C9 | C10 | NG | C7 | 3.3° | 0.5° |
| C10 | C9 | C8 | CA | 175.9° | 179.9° |
| C10 | C9 | C8 | NE | 1.4° | 0.1° |
| C10 | C9 | C8 | NF | 176.1° | 180.0° |
| C10 | C9 | CA | HAA | 137.7° | 85.7° |
| C10 | C9 | CA | HAB | 21.2° | 154.3° |
| C10 | C9 | CA | HAC | 108.1° | 34.3° |
| C9 | C10 | NG | CO | 176.2° | 180.0° |
| NG | C10 | C12 | NH | 0.4° | 92.2° |
| NG | C10 | C12 | O12 | 178.3° | 87.8° |
| C10 | NG | C7 | C6 | 179.3° | 179.7° |
| C10 | NG | C7 | NE | 3.8° | 0.5° |
| C10 | NG | C7 | CO | 179.5° | 179.4° |
| NG | C10 | C9 | C8 | 0.7° | 0.2° |
| NG | C10 | C9 | CA | 176.0° | 179.7° |
| C10 | NG | CO | O1P | 84.4° | 62.8° |
| C12 | NH | C13 | C14 | 143.5° | 106.0° |
| C12 | NH | C13 | C30 | 90.3° | 134.1° |
| C12 | NH | C13 | HNH | 180.0° | 179.9° |
| C12 | NH | C13 | H13 | 27.8° | 14.0° |
| O12 | C12 | NH | C13 | 1.2° | 6.1° |
| O12 | C12 | NH | HNH | 178.8° | 174.0° |
| C14 | C13 | C30 | NH | 121.9° | 119.9° |
| C14 | C13 | C30 | H13 | 115.8° | 119.9° |
| C14 | C13 | NH | H13 | 115.7° | 120.0° |
| C13 | C14 | C27 | OH1 | 118.2° | 120.0° |
| C13 | C14 | C27 | H14 | 117.8° | 120.0° |
| C13 | C14 | OH1 | H14 | 117.7° | 120.0° |
| C13 | C14 | C27 | C28 | 114.5° | 125.0° |
| C13 | C14 | C27 | NJ | 63.7° | 55.3° |
| C14 | C13 | C30 | NK | 119.7° | 83.8° |
| C14 | C13 | C30 | O30 | 60.4° | 96.2° |
| C14 | C13 | NH | HNH | 36.5° | 74.1° |
| C13 | C14 | OH1 | HO1 | 57.0° | 65.7° |
| C30 | C13 | NH | H13 | 118.0° | 120.1° |
| C30 | C13 | C14 | C27 | 57.6° | 175.9° |
| C30 | C13 | C14 | OH1 | 178.4° | 56.0° |
| C30 | C13 | C14 | H14 | 61.0° | 64.1° |
| C13 | C30 | NK | O30 | 179.9° | 180.0° |
| C13 | C30 | NK | C31 | 175.9° | 175.0° |
| C30 | C13 | NH | HNH | 89.7° | 45.9° |
| C13 | C30 | NK | HNK | 2.8° | 5.1° |
| NH | C13 | C14 | C27 | 69.3° | 64.1° |
| NH | C13 | C14 | OH1 | 51.4° | 176.0° |
| NH | C13 | C14 | H14 | 172.0° | 55.9° |
| NH | C13 | C30 | NK | 2.3° | 156.3° |
| NH | C13 | C30 | O30 | 177.6° | 23.7° |
| H13 | C13 | C14 | C27 | 171.7° | 56.0° |
| H13 | C13 | C14 | OH1 | 67.5° | 64.0° |
| H13 | C13 | C14 | H14 | 53.1° | 176.0° |
| H13 | C13 | C30 | NK | 124.5° | 36.2° |
| H13 | C13 | C30 | O30 | 55.4° | 143.8° |
| H13 | C13 | NH | HNH | 152.3° | 165.9° |
| C27 | C14 | OH1 | H14 | 122.2° | 120.0° |
| C14 | C27 | C28 | NJ | 178.4° | 179.8° |
| C14 | C27 | C28 | NI | 178.3° | 180.0° |
| C14 | C27 | C28 | H28 | 1.0° | 0.1° |
| C14 | C27 | NJ | C29 | 178.9° | 179.9° |
| C27 | C14 | OH1 | HO1 | 177.1° | 174.3° |
| OH1 | C14 | C27 | C28 | 127.3° | 115.0° |
| OH1 | C14 | C27 | NJ | 54.6° | 64.7° |
| H14 | C14 | C27 | C28 | 3.3° | 5.0° |
| H14 | C14 | C27 | NJ | 178.6° | 175.3° |
| H14 | C14 | OH1 | HO1 | 60.7° | 54.3° |
| C3 | C2 | NB | H2 | 120.1° | 120.0° |
| C2 | C3 | NC | H3E | 119.8° | 119.9° |
| C2 | C3 | NC | H3X | 120.4° | 120.1° |
| C2 | C3 | H3E | H3X | 115.0° | 120.1° |
| C2 | C3 | NC | C6 | 89.2° | 176.2° |
| C3 | C2 | NB | HB1 | 143.7° | 60.0° |
| C3 | C2 | NB | HB2 | 93.5° | 53.8° |
| C2 | C3 | NC | HNC | 156.1° | 70.0° |
| NB | C2 | C3 | NC | 10.2° | 55.0° |
| NB | C2 | C3 | H3E | 133.2° | 174.9° |
| NB | C2 | C3 | H3X | 112.1° | 65.0° |
| C2 | NB | HB1 | HB2 | 119.6° | 113.8° |
| H2 | C2 | C3 | NC | 114.4° | 64.9° |
| H2 | C2 | C3 | H3E | 8.6° | 55.0° |
| H2 | C2 | C3 | H3X | 123.3° | 175.0° |
| H2 | C2 | NB | HB1 | 96.2° | 180.0° |
| H2 | C2 | NB | HB2 | 26.6° | 66.2° |
| C27 | C28 | NI | H28 | 179.4° | 180.0° |
| C27 | C28 | NI | C29 | 0.7° | 0.0° |
| C28 | C27 | NJ | C29 | 0.6° | 0.4° |
| C27 | C28 | NI | HNI | 178.6° | 180.0° |
| NJ | C27 | C28 | NI | 0.1° | 0.2° |
| NJ | C27 | C28 | H28 | 179.4° | 179.8° |
| C27 | NJ | C29 | NI | 1.0° | 0.4° |
| C27 | NJ | C29 | H29 | 179.7° | 179.9° |
| C28 | NI | C29 | HNI | 179.3° | 180.0° |
| C28 | NI | C29 | NJ | 1.1° | 0.2° |
| C28 | NI | C29 | H29 | 179.9° | 180.0° |
| H28 | C28 | NI | C29 | 179.9° | 180.0° |
| H28 | C28 | NI | HNI | 0.8° | 0.0° |
| NI | C29 | NJ | H29 | 178.7° | 179.7° |
| NJ | C29 | NI | HNI | 178.2° | 179.8° |
| H29 | C29 | NI | HNI | 0.7° | 0.0° |
| NC | C3 | H3E | H3X | 121.9° | 120.0° |
| C3 | NC | C6 | C5 | 15.9° | 85.1° |
| C3 | NC | C6 | C7 | 125.4° | 154.8° |
| C3 | NC | C6 | HNC | 117.1° | 113.8° |
| C3 | NC | C6 | H6 | 114.1° | 34.9° |
| H3E | C3 | NC | C6 | 30.5° | 56.3° |
| H3E | C3 | NC | HNC | 84.2° | 170.1° |
| H3X | C3 | NC | C6 | 150.3° | 63.7° |
| H3X | C3 | NC | HNC | 35.6° | 50.1° |
| C30 | NK | C31 | C33 | 126.0° | 155.0° |
| C30 | NK | C31 | CB | 107.0° | 85.0° |
| C30 | NK | C31 | HNK | 178.7° | 179.9° |
| C30 | NK | C31 | H31 | 21.4° | 34.9° |
| O30 | C30 | NK | C31 | 4.0° | 5.0° |
| O30 | C30 | NK | HNK | 177.3° | 174.9° |
| C33 | C31 | CB | NK | 111.7° | 120.0° |
| C33 | C31 | CB | H31 | 115.6° | 120.0° |
| C33 | C31 | NK | H31 | 104.6° | 120.1° |
| C31 | C33 | C34 | OH2 | 128.4° | 120.0° |
| C31 | C33 | C34 | H33 | 114.8° | 120.0° |
| C31 | C33 | OH2 | H33 | 98.5° | 120.0° |
| C31 | C33 | C34 | C36 | 167.9° | 176.3° |
| C31 | C33 | C34 | CC | 53.3° | 63.8° |
| C31 | C33 | C34 | H34 | 50.3° | 56.3° |
| C33 | C31 | CB | HBA | 63.0° | 55.6° |
| C33 | C31 | CB | HBB | 61.1° | 64.5° |
| C33 | C31 | CB | HBC | 174.7° | 175.6° |
| C33 | C31 | NK | HNK | 55.3° | 24.9° |
| C31 | C33 | OH2 | HO2 | 58.2° | 60.0° |
| CB | C31 | NK | H31 | 128.4° | 120.0° |
| CB | C31 | C33 | C34 | 172.8° | 179.3° |
| CB | C31 | C33 | OH2 | 62.7° | 59.3° |
| CB | C31 | C33 | H33 | 43.4° | 60.7° |
| C31 | CB | HBA | HBB | 129.8° | 120.0° |
| C31 | CB | HBA | HBC | 118.3° | 120.0° |
| C31 | CB | HBB | HBC | 126.4° | 120.0° |
| CB | C31 | NK | HNK | 71.8° | 95.0° |
| NK | C31 | C33 | C34 | 64.4° | 60.8° |
| NK | C31 | C33 | OH2 | 171.2° | 179.3° |
| NK | C31 | C33 | H33 | 65.1° | 59.3° |
| NK | C31 | CB | HBA | 48.8° | 175.6° |
| NK | C31 | CB | HBB | 172.8° | 55.5° |
| NK | C31 | CB | HBC | 63.0° | 64.5° |
| H31 | C31 | C33 | C34 | 61.1° | 59.3° |
| H31 | C31 | C33 | OH2 | 63.3° | 60.7° |
| H31 | C31 | C33 | H33 | 169.4° | 179.3° |
| H31 | C31 | CB | HBA | 178.6° | 64.5° |
| H31 | C31 | CB | HBB | 54.5° | 175.5° |
| H31 | C31 | CB | HBC | 69.7° | 55.5° |
| H31 | C31 | NK | HNK | 159.8° | 145.0° |
| C34 | C33 | OH2 | H33 | 128.6° | 120.0° |
| C33 | C34 | C36 | CC | 135.9° | 120.0° |
| C33 | C34 | C36 | H34 | 125.7° | 120.0° |
| C33 | C34 | CC | H34 | 119.6° | 120.0° |
| C33 | C34 | C36 | NL | 33.8° | 180.0° |
| C33 | C34 | C36 | O36 | 143.0° | 0.0° |
| C33 | C34 | CC | HCA | 67.4° | 56.5° |
| C33 | C34 | CC | HCB | 50.8° | 176.5° |
| C33 | C34 | CC | HCC | 176.4° | 63.5° |
| C34 | C33 | OH2 | HO2 | 168.9° | 60.0° |
| OH2 | C33 | C34 | C36 | 63.7° | 63.7° |
| OH2 | C33 | C34 | CC | 75.1° | 56.2° |
| OH2 | C33 | C34 | H34 | 178.6° | 176.3° |
| H33 | C33 | C34 | C36 | 53.1° | 56.3° |
| H33 | C33 | C34 | CC | 168.1° | 176.2° |
| H33 | C33 | C34 | H34 | 64.6° | 63.7° |
| H33 | C33 | OH2 | HO2 | 40.3° | 180.0° |
| C36 | C34 | CC | H34 | 105.4° | 120.0° |
| C34 | C36 | NL | O36 | 176.8° | 180.0° |
| C34 | C36 | NL | C37 | 165.3° | 180.0° |
| C36 | C34 | CC | HCA | 157.7° | 176.5° |
| C36 | C34 | CC | HCB | 84.1° | 63.6° |
| C36 | C34 | CC | HCC | 41.5° | 56.5° |
| C34 | C36 | NL | HNL | 4.2° | 0.0° |
| CC | C34 | C36 | NL | 102.1° | 60.0° |
| CC | C34 | C36 | O36 | 81.1° | 120.0° |
| C34 | CC | HCA | HCB | 121.1° | 120.0° |
| C34 | CC | HCA | HCC | 120.3° | 120.0° |
| C34 | CC | HCB | HCC | 126.5° | 120.0° |
| H34 | C34 | C36 | NL | 159.5° | 60.0° |
| H34 | C34 | C36 | O36 | 17.3° | 119.9° |
| H34 | C34 | CC | HCA | 52.2° | 63.5° |
| H34 | C34 | CC | HCB | 170.4° | 56.5° |
| H34 | C34 | CC | HCC | 63.9° | 176.5° |
| C36 | NL | C37 | C38 | 51.9° | 85.0° |
| C36 | NL | C37 | C40 | 166.3° | 155.0° |
| C36 | NL | C37 | HNL | 169.9° | 180.0° |
| C36 | NL | C37 | H37 | 62.0° | 35.1° |
| O36 | C36 | NL | C37 | 11.5° | 0.0° |
| O36 | C36 | NL | HNL | 179.0° | 180.0° |
| C38 | C37 | C40 | NL | 111.3° | 120.0° |
| C38 | C37 | C40 | H37 | 116.9° | 120.0° |
| C38 | C37 | NL | H37 | 113.9° | 120.0° |
| C37 | C38 | CD | OH3 | 123.6° | 120.1° |
| C37 | C38 | CD | H38 | 130.4° | 120.0° |
| C37 | C38 | OH3 | H38 | 121.2° | 120.0° |
| C38 | C37 | C40 | NM | 13.0° | 80.3° |
| C38 | C37 | C40 | O40 | 164.9° | 99.7° |
| C37 | C38 | CD | HDA | 47.8° | 173.3° |
| C37 | C38 | CD | HDB | 65.7° | 53.2° |
| C37 | C38 | CD | HDC | 167.3° | 66.7° |
| C38 | C37 | NL | HNL | 118.0° | 95.0° |
| C37 | C38 | OH3 | HO3 | 62.0° | 60.0° |
| C40 | C37 | NL | H37 | 131.7° | 119.9° |
| C40 | C37 | C38 | CD | 63.8° | 178.0° |
| C40 | C37 | C38 | OH3 | 50.7° | 57.9° |
| C40 | C37 | C38 | H38 | 162.6° | 62.0° |
| C37 | C40 | NM | O40 | 177.8° | 180.0° |
| C37 | C40 | NM | C41 | 173.0° | 175.5° |
| C40 | C37 | NL | HNL | 3.5° | 25.0° |
| C37 | C40 | NM | HNM | 2.6° | 4.5° |
| NL | C37 | C38 | CD | 51.4° | 58.0° |
| NL | C37 | C38 | OH3 | 166.0° | 62.1° |
| NL | C37 | C38 | H38 | 82.1° | 178.0° |
| NL | C37 | C40 | NM | 124.3° | 159.7° |
| NL | C37 | C40 | O40 | 53.6° | 20.3° |
| H37 | C37 | C38 | CD | 172.8° | 62.0° |
| H37 | C37 | C38 | OH3 | 72.6° | 177.9° |
| H37 | C37 | C38 | H38 | 39.2° | 58.0° |
| H37 | C37 | C40 | NM | 103.9° | 39.7° |
| H37 | C37 | C40 | O40 | 78.2° | 140.3° |
| H37 | C37 | NL | HNL | 128.2° | 145.0° |
| CD | C38 | OH3 | H38 | 122.5° | 119.9° |
| C38 | CD | HDA | HDB | 119.0° | 120.0° |
| C38 | CD | HDA | HDC | 121.7° | 120.0° |
| C38 | CD | HDB | HDC | 125.8° | 120.0° |
| CD | C38 | OH3 | HO3 | 178.2° | 179.9° |
| OH3 | C38 | CD | HDA | 75.8° | 66.6° |
| OH3 | C38 | CD | HDB | 170.7° | 173.3° |
| OH3 | C38 | CD | HDC | 43.7° | 53.4° |
| H38 | C38 | CD | HDA | 178.3° | 53.3° |
| H38 | C38 | CD | HDB | 64.8° | 66.8° |
| H38 | C38 | CD | HDC | 62.2° | 173.3° |
| H38 | C38 | OH3 | HO3 | 59.2° | 60.0° |
| C5 | C4 | ND | O4 | 179.2° | 179.9° |
| C4 | C5 | C6 | H5E | 118.4° | 120.1° |
| C4 | C5 | C6 | H5X | 113.2° | 120.0° |
| C4 | C5 | H5E | H5X | 107.4° | 120.0° |
| C4 | C5 | C6 | C7 | 173.3° | 62.7° |
| C4 | C5 | C6 | NC | 70.4° | 177.3° |
| C4 | C5 | C6 | H6 | 59.8° | 57.3° |
| C5 | C4 | ND | HD1 | 2.0° | 0.0° |
| C5 | C4 | ND | HD2 | 178.9° | 179.9° |
| ND | C4 | C5 | C6 | 60.6° | 174.9° |
| ND | C4 | C5 | H5E | 174.9° | 65.0° |
| ND | C4 | C5 | H5X | 59.1° | 55.0° |
| C4 | ND | HD1 | HD2 | 176.6° | 180.0° |
| O4 | C4 | C5 | C6 | 118.7° | 5.1° |
| O4 | C4 | C5 | H5E | 5.8° | 114.9° |
| O4 | C4 | C5 | H5X | 121.6° | 125.1° |
| O4 | C4 | ND | HD1 | 177.2° | 180.0° |
| O4 | C4 | ND | HD2 | 0.3° | 0.0° |
| C40 | NM | C41 | C42 | 98.5° | 180.0° |
| C40 | NM | C41 | HNM | 175.7° | 180.0° |
| C40 | NM | C41 | H1E | 145.8° | 60.0° |
| C40 | NM | C41 | H1X | 26.2° | 60.0° |
| O40 | C40 | NM | C41 | 4.9° | 4.5° |
| O40 | C40 | NM | HNM | 179.6° | 175.5° |
| C42 | C41 | NM | H1E | 115.7° | 120.0° |
| C42 | C41 | NM | H1X | 124.7° | 120.0° |
| C42 | C41 | H1E | H1X | 119.9° | 120.0° |
| C41 | C42 | C43 | H2E | 124.8° | 120.0° |
| C41 | C42 | C43 | H2X | 118.1° | 120.0° |
| C41 | C42 | H2E | H2X | 121.9° | 120.0° |
| C41 | C42 | C43 | NN | 47.5° | 89.7° |
| C41 | C42 | C43 | S43 | 139.4° | 90.0° |
| C42 | C41 | NM | HNM | 77.2° | 0.0° |
| NM | C41 | H1E | H1X | 127.1° | 120.0° |
| NM | C41 | C42 | C43 | 162.1° | 180.0° |
| NM | C41 | C42 | H2E | 77.6° | 60.0° |
| NM | C41 | C42 | H2X | 47.9° | 60.0° |
| H1E | C41 | C42 | C43 | 48.7° | 60.0° |
| H1E | C41 | C42 | H2E | 169.0° | 179.9° |
| H1E | C41 | C42 | H2X | 65.5° | 59.9° |
| H1E | C41 | NM | HNM | 38.5° | 120.0° |
| H1X | C41 | C42 | C43 | 68.5° | 60.0° |
| H1X | C41 | C42 | H2E | 51.7° | 60.0° |
| H1X | C41 | C42 | H2X | 177.2° | 180.0° |
| H1X | C41 | NM | HNM | 158.1° | 120.0° |
| C43 | C42 | H2E | H2X | 106.4° | 120.0° |
| C42 | C43 | NN | S43 | 173.7° | 179.7° |
| C42 | C43 | S43 | C44 | 174.4° | 180.0° |
| C42 | C43 | NN | C45 | 173.7° | 179.8° |
| H2E | C42 | C43 | NN | 172.3° | 30.3° |
| H2E | C42 | C43 | S43 | 14.6° | 150.0° |
| H2X | C42 | C43 | NN | 70.6° | 150.3° |
| H2X | C42 | C43 | S43 | 102.5° | 30.0° |
| C43 | NN | C45 | C44 | 0.8° | 0.5° |
| NN | C43 | S43 | C44 | 0.5° | 0.2° |
| C43 | NN | C45 | C46 | 176.2° | 179.7° |
| C43 | S43 | C44 | C45 | 0.9° | 0.0° |
| C43 | S43 | C44 | H44 | 177.5° | 180.0° |
| S43 | C43 | NN | C45 | 0.0° | 0.5° |
| C45 | C44 | S43 | H44 | 176.5° | 180.0° |
| C44 | C45 | C46 | NN | 176.8° | 179.8° |
| C44 | C45 | C46 | NO | 0.4° | 0.3° |
| C44 | C45 | C46 | S46 | 176.6° | 180.0° |
| S43 | C44 | C45 | C46 | 175.7° | 180.0° |
| S43 | C44 | C45 | NN | 1.2° | 0.3° |
| H44 | C44 | C45 | C46 | 0.9° | 0.0° |
| H44 | C44 | C45 | NN | 177.8° | 179.8° |
| C45 | C46 | NO | S46 | 177.2° | 179.7° |
| C45 | C46 | S46 | C47 | 177.0° | 180.0° |
| C45 | C46 | NO | C48 | 176.9° | 179.8° |
| NN | C45 | C46 | NO | 177.1° | 179.9° |
| NN | C45 | C46 | S46 | 0.2° | 0.3° |
| C46 | NO | C48 | C47 | 0.2° | 0.5° |
| NO | C46 | S46 | C47 | 0.2° | 0.3° |
| C46 | NO | C48 | C49 | 178.4° | 179.7° |
| C46 | S46 | C47 | C48 | 0.1° | 0.0° |
| C46 | S46 | C47 | H47 | 178.7° | 180.0° |
| S46 | C46 | NO | C48 | 0.2° | 0.5° |
| C48 | C47 | S46 | H47 | 178.8° | 180.0° |
| C47 | C48 | C49 | NO | 178.3° | 179.8° |
| C47 | C48 | C49 | NP | 0.7° | 180.0° |
| C47 | C48 | C49 | O49 | 179.8° | 0.0° |
| S46 | C47 | C48 | C49 | 178.4° | 180.0° |
| S46 | C47 | C48 | NO | 0.0° | 0.3° |
| H47 | C47 | C48 | C49 | 0.3° | 0.0° |
| H47 | C47 | C48 | NO | 178.7° | 179.7° |
| C48 | C49 | NP | O49 | 179.0° | 180.0° |
| C48 | C49 | NP | C51 | 179.1° | 180.0° |
| C48 | C49 | NP | HNP | 0.8° | 0.1° |
| NO | C48 | C49 | NP | 177.6° | 0.2° |
| NO | C48 | C49 | O49 | 1.5° | 179.8° |
| C49 | NP | C51 | C52 | 22.2° | 180.0° |
| C49 | NP | C51 | HNP | 179.9° | 180.0° |
| C49 | NP | C51 | H6E | 144.5° | 60.0° |
| C49 | NP | C51 | H6X | 104.1° | 60.0° |
| O49 | C49 | NP | C51 | 0.0° | 0.0° |
| O49 | C49 | NP | HNP | 179.8° | 180.0° |
| C6 | C5 | H5E | H5X | 128.3° | 119.9° |
| C5 | C6 | C7 | NC | 123.3° | 120.0° |
| C5 | C6 | C7 | H6 | 114.8° | 120.0° |
| C5 | C6 | NC | H6 | 130.0° | 120.0° |
| C5 | C6 | C7 | NE | 53.8° | 59.0° |
| C5 | C6 | C7 | NG | 121.5° | 120.7° |
| C5 | C6 | NC | HNC | 133.1° | 161.1° |
| H5E | C5 | C6 | C7 | 68.3° | 177.2° |
| H5E | C5 | C6 | NC | 48.0° | 57.2° |
| H5E | C5 | C6 | H6 | 178.3° | 62.8° |
| H5X | C5 | C6 | C7 | 60.1° | 57.2° |
| H5X | C5 | C6 | NC | 176.4° | 62.8° |
| H5X | C5 | C6 | H6 | 53.3° | 177.2° |
| C52 | C51 | NP | H6E | 122.2° | 120.0° |
| C52 | C51 | NP | H6X | 126.3° | 120.0° |
| C52 | C51 | H6E | H6X | 124.4° | 119.9° |
| C51 | C52 | C53 | H7E | 117.4° | 120.0° |
| C51 | C52 | C53 | H7X | 126.7° | 119.9° |
| C51 | C52 | H7E | H7X | 109.6° | 119.9° |
| C51 | C52 | C53 | NQ | 167.5° | 180.0° |
| C51 | C52 | C53 | H8E | 63.8° | 60.0° |
| C51 | C52 | C53 | H8X | 46.5° | 60.0° |
| C52 | C51 | NP | HNP | 157.6° | 0.0° |
| NP | C51 | H6E | H6X | 112.0° | 120.0° |
| NP | C51 | C52 | C53 | 172.4° | 180.0° |
| NP | C51 | C52 | H7E | 66.7° | 60.0° |
| NP | C51 | C52 | H7X | 41.3° | 60.0° |
| H6E | C51 | C52 | C53 | 53.1° | 59.9° |
| H6E | C51 | C52 | H7E | 174.0° | 180.0° |
| H6E | C51 | C52 | H7X | 78.0° | 60.0° |
| H6E | C51 | NP | HNP | 35.4° | 120.0° |
| H6X | C51 | C52 | C53 | 65.9° | 60.0° |
| H6X | C51 | C52 | H7E | 55.0° | 60.0° |
| H6X | C51 | C52 | H7X | 163.1° | 180.0° |
| H6X | C51 | NP | HNP | 76.1° | 120.0° |
| C53 | C52 | H7E | H7X | 122.9° | 120.1° |
| C52 | C53 | NQ | H8E | 125.4° | 120.0° |
| C52 | C53 | NQ | H8X | 123.6° | 120.0° |
| C52 | C53 | H8E | H8X | 117.1° | 120.1° |
| C52 | C53 | NQ | C54 | 131.0° | 180.0° |
| C52 | C53 | NQ | HNQ | 63.3° | 66.3° |
| H7E | C52 | C53 | NQ | 50.1° | 60.0° |
| H7E | C52 | C53 | H8E | 178.8° | 180.0° |
| H7E | C52 | C53 | H8X | 70.9° | 60.0° |
| H7X | C52 | C53 | NQ | 65.8° | 60.0° |
| H7X | C52 | C53 | H8E | 62.9° | 59.9° |
| H7X | C52 | C53 | H8X | 173.3° | 180.0° |
| NQ | C53 | H8E | H8X | 114.2° | 120.0° |
| C53 | NQ | C54 | C56 | 151.3° | 155.0° |
| C53 | NQ | C54 | CE | 80.5° | 85.0° |
| C53 | NQ | C54 | HNQ | 165.8° | 113.7° |
| C53 | NQ | C54 | H54 | 33.5° | 35.0° |
| H8E | C53 | NQ | C54 | 5.6° | 60.0° |
| H8E | C53 | NQ | HNQ | 171.4° | 173.7° |
| H8X | C53 | NQ | C54 | 105.4° | 60.0° |
| H8X | C53 | NQ | HNQ | 60.3° | 53.7° |
| C56 | C54 | CE | NQ | 126.4° | 120.0° |
| C56 | C54 | CE | H54 | 123.3° | 120.0° |
| C56 | C54 | NQ | H54 | 117.8° | 120.0° |
| C54 | C56 | C57 | C61 | 179.4° | 179.7° |
| C54 | C56 | C57 | C58 | 179.3° | 180.0° |
| C54 | C56 | C57 | H57 | 0.9° | 0.1° |
| C54 | C56 | C61 | C60 | 179.4° | 179.8° |
| C54 | C56 | C61 | H61 | 0.6° | 0.2° |
| C56 | C54 | CE | HEA | 69.2° | 60.0° |
| C56 | C54 | CE | HEB | 173.3° | 60.0° |
| C56 | C54 | CE | HEC | 52.7° | 180.0° |
| C56 | C54 | NQ | HNQ | 14.5° | 91.2° |
| CE | C54 | NQ | H54 | 114.1° | 120.0° |
| CE | C54 | C56 | C57 | 20.5° | 100.0° |
| CE | C54 | C56 | C61 | 158.8° | 79.8° |
| C54 | CE | HEA | HEB | 124.0° | 120.0° |
| C54 | CE | HEA | HEC | 128.4° | 120.0° |
| C54 | CE | HEB | HEC | 127.4° | 120.1° |
| CE | C54 | NQ | HNQ | 113.7° | 28.7° |
| NQ | C54 | C56 | C57 | 102.8° | 140.0° |
| NQ | C54 | C56 | C61 | 77.9° | 40.2° |
| NQ | C54 | CE | HEA | 57.2° | 60.0° |
| NQ | C54 | CE | HEB | 60.3° | 180.0° |
| NQ | C54 | CE | HEC | 179.1° | 60.0° |
| H54 | C54 | C56 | C57 | 143.3° | 20.0° |
| H54 | C54 | C56 | C61 | 36.0° | 160.3° |
| H54 | C54 | CE | HEA | 167.5° | 180.0° |
| H54 | C54 | CE | HEB | 50.0° | 60.0° |
| H54 | C54 | CE | HEC | 70.5° | 60.1° |
| H54 | C54 | NQ | HNQ | 132.3° | 148.8° |
| C56 | C57 | C58 | H57 | 179.8° | 179.9° |
| C56 | C57 | C58 | C59 | 0.1° | 0.0° |
| C56 | C57 | C58 | H58 | 179.7° | 180.0° |
| C57 | C56 | C61 | C60 | 0.0° | 0.5° |
| C57 | C56 | C61 | H61 | 180.0° | 179.9° |
| C61 | C56 | C57 | C58 | 0.0° | 0.3° |
| C61 | C56 | C57 | H57 | 179.8° | 179.8° |
| C56 | C61 | C60 | C59 | 0.0° | 0.4° |
| C56 | C61 | C60 | H61 | 180.0° | 179.6° |
| C56 | C61 | C60 | H60 | 179.8° | 179.8° |
| C57 | C58 | C59 | H58 | 179.7° | 180.0° |
| C57 | C58 | C59 | C60 | 0.1° | 0.0° |
| C57 | C58 | C59 | H59 | 179.8° | 180.0° |
| H57 | C57 | C58 | C59 | 179.8° | 180.0° |
| H57 | C57 | C58 | H58 | 0.5° | 0.1° |
| C58 | C59 | C60 | H59 | 179.9° | 180.0° |
| C58 | C59 | C60 | C61 | 0.0° | 0.2° |
| C58 | C59 | C60 | H60 | 179.8° | 180.0° |
| H58 | C58 | C59 | C60 | 179.7° | 180.0° |
| H58 | C58 | C59 | H59 | 0.4° | 0.0° |
| C59 | C60 | C61 | H60 | 179.8° | 179.8° |
| C59 | C60 | C61 | H61 | 180.0° | 180.0° |
| H59 | C59 | C60 | C61 | 179.9° | 179.8° |
| H59 | C59 | C60 | H60 | 0.3° | 0.0° |
| C7 | C6 | NC | H6 | 120.5° | 120.0° |
| C6 | C7 | NE | NG | 175.2° | 179.7° |
| C6 | C7 | NE | C8 | 176.9° | 179.9° |
| C7 | C6 | NC | HNC | 117.5° | 41.1° |
| C6 | C7 | NG | CO | 0.3° | 0.3° |
| NC | C6 | C7 | NE | 177.1° | 61.0° |
| NC | C6 | C7 | NG | 1.8° | 119.3° |
| H6 | C6 | C7 | NE | 61.0° | 179.1° |
| H6 | C6 | C7 | NG | 123.7° | 0.7° |
| H6 | C6 | NC | HNC | 3.1° | 78.9° |
| H60 | C60 | C61 | H61 | 0.2° | 0.2° |
| C7 | NE | C8 | C9 | 0.9° | 0.1° |
| C7 | NE | C8 | NF | 176.8° | 179.9° |
| NE | C7 | NG | CO | 175.7° | 180.0° |
| NG | C7 | NE | C8 | 1.7° | 0.2° |
| C7 | NG | CO | O1P | 96.0° | 116.7° |
| C9 | C8 | NE | NF | 177.6° | 180.0° |
| C8 | C9 | CA | HAA | 37.8° | 94.2° |
| C8 | C9 | CA | HAB | 154.2° | 25.8° |
| C8 | C9 | CA | HAC | 76.4° | 145.8° |
| C9 | C8 | NF | HF1 | 2.4° | 0.0° |
| C9 | C8 | NF | HF2 | 178.6° | 179.9° |
| NE | C8 | C9 | CA | 174.5° | 180.0° |
| NE | C8 | NF | HF1 | 175.2° | 179.9° |
| NE | C8 | NF | HF2 | 3.8° | 0.0° |
| NF | C8 | C9 | CA | 8.0° | 0.0° |
| C8 | NF | HF1 | HF2 | 179.0° | 179.9° |
| C9 | CA | HAA | HAB | 121.5° | 120.0° |
| C9 | CA | HAA | HAC | 118.5° | 120.0° |
| C9 | CA | HAB | HAC | 127.8° | 120.0° |
| HAA | CA | HAB | HAC | 113.2° | 120.0° |
| HBA | CB | HBB | HBC | 107.6° | 120.0° |
| HCA | CC | HCB | HCC | 115.4° | 120.0° |
| HDA | CD | HDB | HDC | 115.1° | 120.0° |
| HEA | CE | HEB | HEC | 108.0° | 120.0° |
| NG | CO | O1P | O2P | 38.9° | 69.7° |
| CO | O1P | O2P | H2P | 171.9° | 176.3° |
