PL1
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.53Å | 1.53Å | |
| C1 | NA | sing | 1.33Å | 1.34Å | |
| C1 | O1 | doub | 1.23Å | 1.22Å | |
| C10 | C12 | sing | 1.51Å | 1.44Å | |
| C10 | C9 | sing | 1.41Å | 1.38Å | Aromatic |
| C10 | NG | doub | 1.33Å | 1.35Å | Aromatic |
| C12 | NH | sing | 1.34Å | 1.35Å | |
| C12 | O12 | doub | 1.23Å | 1.23Å | |
| C13 | C14 | sing | 1.54Å | 1.51Å | |
| C13 | C30 | sing | 1.53Å | 1.53Å | |
| C13 | NH | sing | 1.47Å | 1.47Å | |
| C13 | H13 | sing | 0.99Å | 1.10Å | |
| C14 | C27 | sing | 1.50Å | 1.49Å | |
| C14 | OH1 | sing | 1.43Å | 1.42Å | |
| C14 | H14 | sing | 0.99Å | 1.10Å | |
| C2 | C3 | sing | 1.53Å | 1.53Å | |
| C2 | NB | sing | 1.46Å | 1.50Å | |
| C2 | H2 | sing | 0.99Å | 1.10Å | |
| C27 | C28 | doub | 1.38Å | 1.35Å | Aromatic |
| C27 | NJ | sing | 1.35Å | 1.36Å | Aromatic |
| C28 | NI | sing | 1.37Å | 1.33Å | Aromatic |
| C28 | H28 | sing | 0.95Å | 1.08Å | |
| C29 | NI | sing | 1.33Å | 1.34Å | Aromatic |
| C29 | NJ | doub | 1.33Å | 1.36Å | Aromatic |
| C29 | H29 | sing | 0.95Å | 1.08Å | |
| C3 | NC | sing | 1.48Å | 1.49Å | |
| C3 | H3E | sing | 0.98Å | 1.10Å | |
| C3 | H3X | sing | 0.98Å | 1.10Å | |
| C30 | NK | sing | 1.35Å | 1.32Å | |
| C30 | O30 | doub | 1.24Å | 1.23Å | |
| C31 | C33 | sing | 1.55Å | 1.53Å | |
| C31 | CB | sing | 1.54Å | 1.58Å | |
| C31 | NK | sing | 1.47Å | 1.43Å | |
| C31 | H31 | sing | 0.99Å | 1.10Å | |
| C33 | C34 | sing | 1.55Å | 1.60Å | |
| C33 | OH2 | sing | 1.44Å | 1.40Å | |
| C33 | H33 | sing | 0.99Å | 1.10Å | |
| C34 | C36 | sing | 1.54Å | 1.58Å | |
| C34 | CC | sing | 1.55Å | 1.54Å | |
| C34 | H34 | sing | 0.99Å | 1.10Å | |
| C36 | NL | sing | 1.35Å | 1.37Å | |
| C36 | O36 | doub | 1.23Å | 1.23Å | |
| C37 | C38 | sing | 1.55Å | 1.57Å | |
| C37 | C40 | sing | 1.54Å | 1.59Å | |
| C37 | NL | sing | 1.46Å | 1.51Å | |
| C37 | H37 | sing | 0.99Å | 1.10Å | |
| C38 | CD | sing | 1.52Å | 1.55Å | |
| C38 | OH3 | sing | 1.43Å | 1.41Å | |
| C38 | H38 | sing | 0.99Å | 1.10Å | |
| C4 | C5 | sing | 1.52Å | 1.46Å | |
| C4 | ND | sing | 1.33Å | 1.33Å | |
| C4 | O4 | doub | 1.24Å | 1.21Å | |
| C40 | NM | sing | 1.34Å | 1.37Å | |
| C40 | O40 | doub | 1.24Å | 1.23Å | |
| C41 | C42 | sing | 1.52Å | 1.55Å | |
| C41 | NM | sing | 1.46Å | 1.48Å | |
| C41 | H1E | sing | 0.98Å | 1.10Å | |
| C41 | H1X | sing | 0.98Å | 1.10Å | |
| C42 | C43 | sing | 1.50Å | 1.49Å | |
| C42 | H2E | sing | 0.98Å | 1.10Å | |
| C42 | H2X | sing | 0.98Å | 1.10Å | |
| C43 | NN | doub | 1.32Å | 1.33Å | Aromatic |
| C43 | S43 | sing | 1.73Å | 1.80Å | Aromatic |
| C44 | C45 | doub | 1.37Å | 1.35Å | Aromatic |
| C44 | S43 | sing | 1.71Å | 1.80Å | Aromatic |
| C44 | H44 | sing | 0.94Å | 1.08Å | |
| C45 | C46 | sing | 1.45Å | 1.34Å | |
| C45 | NN | sing | 1.38Å | 1.34Å | Aromatic |
| C46 | NO | doub | 1.31Å | 1.34Å | Aromatic |
| C46 | S46 | sing | 1.72Å | 1.78Å | Aromatic |
| C47 | C48 | doub | 1.36Å | 1.35Å | Aromatic |
| C47 | S46 | sing | 1.70Å | 1.80Å | Aromatic |
| C47 | H47 | sing | 0.94Å | 1.08Å | |
| C48 | C49 | sing | 1.49Å | 1.48Å | |
| C48 | NO | sing | 1.39Å | 1.34Å | Aromatic |
| C49 | NP | sing | 1.35Å | 1.35Å | |
| C49 | O49 | doub | 1.24Å | 1.23Å | |
| C5 | C6 | sing | 1.55Å | 1.55Å | |
| C5 | H5E | sing | 0.97Å | 1.10Å | |
| C5 | H5X | sing | 0.97Å | 1.10Å | |
| C51 | C52 | sing | 1.53Å | 1.57Å | |
| C51 | NP | sing | 1.47Å | 1.48Å | |
| C51 | H6E | sing | 0.98Å | 1.10Å | |
| C51 | H6X | sing | 0.98Å | 1.10Å | |
| C52 | C53 | sing | 1.52Å | 1.60Å | |
| C52 | H7E | sing | 0.98Å | 1.10Å | |
| C52 | H7X | sing | 0.98Å | 1.10Å | |
| C53 | NQ | sing | 1.48Å | 1.53Å | |
| C53 | H8E | sing | 0.98Å | 1.10Å | |
| C53 | H8X | sing | 0.98Å | 1.10Å | |
| C54 | C56 | sing | 1.53Å | 1.63Å | |
| C54 | CE | sing | 1.53Å | 1.60Å | |
| C54 | NQ | sing | 1.49Å | 1.53Å | |
| C54 | H54 | sing | 0.99Å | 1.10Å | |
| C56 | C57 | doub | 1.40Å | 1.41Å | Aromatic |
| C56 | C61 | sing | 1.39Å | 1.41Å | Aromatic |
| C57 | C58 | sing | 1.39Å | 1.38Å | Aromatic |
| C57 | H57 | sing | 0.94Å | 1.08Å | |
| C58 | C59 | doub | 1.37Å | 1.36Å | Aromatic |
| C58 | H58 | sing | 0.94Å | 1.08Å | |
| C59 | C60 | sing | 1.37Å | 1.36Å | Aromatic |
| C59 | H59 | sing | 0.94Å | 1.08Å | |
| C6 | C7 | sing | 1.52Å | 1.47Å | |
| C6 | NC | sing | 1.49Å | 1.53Å | |
| C6 | H6 | sing | 0.99Å | 1.10Å | |
| C60 | C61 | doub | 1.39Å | 1.38Å | Aromatic |
| C60 | H60 | sing | 0.94Å | 1.08Å | |
| C61 | H61 | sing | 0.94Å | 1.08Å | |
| C7 | NE | doub | 1.33Å | 1.36Å | Aromatic |
| C7 | NG | sing | 1.32Å | 1.32Å | Aromatic |
| C8 | C9 | doub | 1.42Å | 1.36Å | Aromatic |
| C8 | NE | sing | 1.36Å | 1.35Å | Aromatic |
| C8 | NF | sing | 1.35Å | 1.32Å | |
| C9 | CA | sing | 1.51Å | 1.52Å | |
| CA | HAA | sing | 0.97Å | 1.10Å | |
| CA | HAB | sing | 0.97Å | 1.10Å | |
| CA | HAC | sing | 0.97Å | 1.10Å | |
| CB | HBA | sing | 0.97Å | 1.10Å | |
| CB | HBB | sing | 0.97Å | 1.10Å | |
| CB | HBC | sing | 0.97Å | 1.10Å | |
| CC | HCA | sing | 0.97Å | 1.10Å | |
| CC | HCB | sing | 0.97Å | 1.10Å | |
| CC | HCC | sing | 0.97Å | 1.10Å | |
| CD | HDA | sing | 0.97Å | 1.10Å | |
| CD | HDB | sing | 0.97Å | 1.10Å | |
| CD | HDC | sing | 0.97Å | 1.10Å | |
| CE | HEA | sing | 0.97Å | 1.10Å | |
| CE | HEB | sing | 0.97Å | 1.10Å | |
| CE | HEC | sing | 0.97Å | 1.10Å | |
| NA | HA1 | sing | 0.89Å | 1.00Å | |
| NA | HA2 | sing | 0.89Å | 1.00Å | |
| NB | HB1 | sing | 0.91Å | 1.00Å | |
| NB | HB2 | sing | 0.91Å | 1.00Å | |
| NC | HNC | sing | 0.89Å | 1.00Å | |
| ND | HD1 | sing | 0.89Å | 1.00Å | |
| ND | HD2 | sing | 0.89Å | 1.00Å | |
| NF | HF1 | sing | 0.88Å | 1.00Å | |
| NF | HF2 | sing | 0.87Å | 1.00Å | |
| NG | CO | sing | 1.92Å | 1.92Å | |
| NI | HNI | sing | 0.89Å | 1.00Å | |
| NK | HNK | sing | 0.87Å | 1.00Å | |
| NL | HNL | sing | 0.87Å | 1.00Å | |
| NM | HNM | sing | 0.88Å | 1.00Å | |
| NP | HNP | sing | 0.87Å | 1.00Å | |
| NQ | HNQ | sing | 0.89Å | 1.00Å | |
| O1P | O2P | sing | 1.36Å | 1.45Å | |
| O1P | CO | sing | 1.91Å | 1.95Å | |
| O2P | H2P | sing | 0.87Å | 0.95Å | |
| OH1 | HO1 | sing | 0.85Å | 0.95Å | |
| OH2 | HO2 | sing | 0.86Å | 0.95Å | |
| OH3 | HO3 | sing | 0.87Å | 0.95Å | |
| NB | CO | sing | 1.96Å | 1.99Å | |
| CO | NC | sing | 2.02Å | 2.03Å | |
| NH | CO | sing | 2.00Å | 2.04Å | |
| NJ | CO | sing | 1.96Å | 2.04Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | NA | 119.2° | 117.7° |
| C2 | C1 | O1 | 119.4° | 119.6° |
| C1 | C2 | C3 | 108.3° | 111.7° |
| C1 | C2 | NB | 114.4° | 113.1° |
| C1 | C2 | H2 | 107.8° | 108.0° |
| NA | C1 | O1 | 121.4° | 122.7° |
| C1 | NA | HA1 | 120.0° | 118.8° |
| C1 | NA | HA2 | 120.0° | 122.7° |
| C12 | C10 | C9 | 127.3° | 130.2° |
| C12 | C10 | NG | 112.1° | 110.4° |
| C10 | C12 | NH | 115.8° | 114.4° |
| C10 | C12 | O12 | 121.0° | 122.0° |
| C9 | C10 | NG | 120.3° | 119.4° |
| C10 | C9 | C8 | 116.9° | 116.1° |
| C10 | C9 | CA | 126.9° | 123.0° |
| C10 | NG | C7 | 121.8° | 122.0° |
| C10 | NG | CO | 119.3° | 119.6° |
| NH | C12 | O12 | 123.2° | 123.5° |
| C12 | NH | C13 | 118.4° | 122.5° |
| C12 | NH | CO | 113.1° | 113.9° |
| C14 | C13 | C30 | 113.7° | 112.7° |
| C14 | C13 | NH | 105.7° | 114.7° |
| C14 | C13 | H13 | 107.3° | 106.2° |
| C13 | C14 | C27 | 110.0° | 119.3° |
| C13 | C14 | OH1 | 106.9° | 106.3° |
| C13 | C14 | H14 | 109.1° | 107.1° |
| C30 | C13 | NH | 114.9° | 111.8° |
| C30 | C13 | H13 | 107.1° | 102.5° |
| C13 | C30 | NK | 115.8° | 118.7° |
| C13 | C30 | O30 | 121.3° | 117.5° |
| NH | C13 | H13 | 107.8° | 107.9° |
| C13 | NH | CO | 128.5° | 123.6° |
| C27 | C14 | OH1 | 111.1° | 108.3° |
| C27 | C14 | H14 | 109.3° | 107.7° |
| C14 | C27 | C28 | 123.3° | 127.2° |
| C14 | C27 | NJ | 126.2° | 124.0° |
| OH1 | C14 | H14 | 110.3° | 107.7° |
| C14 | OH1 | HO1 | 109.5° | 110.3° |
| C3 | C2 | NB | 110.1° | 109.4° |
| C3 | C2 | H2 | 107.8° | 107.7° |
| C2 | C3 | NC | 112.2° | 114.4° |
| C2 | C3 | H3E | 108.8° | 108.2° |
| C2 | C3 | H3X | 108.8° | 108.0° |
| NB | C2 | H2 | 108.2° | 106.7° |
| C2 | NB | HB1 | 109.1° | 109.2° |
| C2 | NB | HB2 | 109.1° | 109.4° |
| C2 | NB | CO | 111.0° | 109.3° |
| C28 | C27 | NJ | 110.5° | 108.8° |
| C27 | C28 | NI | 107.2° | 106.7° |
| C27 | C28 | H28 | 126.4° | 127.8° |
| C27 | NJ | C29 | 103.6° | 106.3° |
| C27 | NJ | CO | 118.7° | 123.7° |
| NI | C28 | H28 | 126.4° | 125.5° |
| C28 | NI | C29 | 107.7° | 106.2° |
| C28 | NI | HNI | 126.1° | 126.5° |
| NI | C29 | NJ | 110.9° | 112.0° |
| NI | C29 | H29 | 124.6° | 123.6° |
| C29 | NI | HNI | 126.1° | 127.3° |
| NJ | C29 | H29 | 124.6° | 124.4° |
| C29 | NJ | CO | 136.2° | 128.9° |
| NC | C3 | H3E | 108.8° | 111.0° |
| NC | C3 | H3X | 108.8° | 108.1° |
| C3 | NC | C6 | 117.2° | 120.3° |
| C3 | NC | HNC | 108.8° | 107.1° |
| C3 | NC | CO | 106.4° | 105.6° |
| H3E | C3 | H3X | 109.5° | 106.9° |
| NK | C30 | O30 | 122.9° | 123.7° |
| C30 | NK | C31 | 132.0° | 126.7° |
| C30 | NK | HNK | 114.0° | 117.6° |
| C33 | C31 | CB | 123.4° | 118.3° |
| C33 | C31 | NK | 103.7° | 109.9° |
| C33 | C31 | H31 | 110.2° | 107.7° |
| C31 | C33 | C34 | 120.6° | 115.7° |
| C31 | C33 | OH2 | 113.0° | 109.3° |
| C31 | C33 | H33 | 105.7° | 106.7° |
| CB | C31 | NK | 97.3° | 107.4° |
| CB | C31 | H31 | 109.5° | 105.5° |
| C31 | CB | HBA | 109.5° | 109.5° |
| C31 | CB | HBB | 109.4° | 109.7° |
| C31 | CB | HBC | 109.5° | 109.8° |
| NK | C31 | H31 | 111.6° | 107.6° |
| C31 | NK | HNK | 114.0° | 115.6° |
| C34 | C33 | OH2 | 104.4° | 111.8° |
| C34 | C33 | H33 | 105.0° | 106.7° |
| C33 | C34 | C36 | 111.2° | 110.7° |
| C33 | C34 | CC | 113.6° | 116.9° |
| C33 | C34 | H34 | 103.0° | 107.4° |
| OH2 | C33 | H33 | 107.2° | 106.0° |
| C33 | OH2 | HO2 | 109.5° | 110.8° |
| C36 | C34 | CC | 119.8° | 110.0° |
| C36 | C34 | H34 | 103.2° | 107.4° |
| C34 | C36 | NL | 123.8° | 120.8° |
| C34 | C36 | O36 | 116.9° | 117.1° |
| CC | C34 | H34 | 103.6° | 103.9° |
| C34 | CC | HCA | 109.5° | 109.5° |
| C34 | CC | HCB | 109.4° | 109.6° |
| C34 | CC | HCC | 109.5° | 109.6° |
| NL | C36 | O36 | 119.2° | 122.2° |
| C36 | NL | C37 | 124.6° | 124.8° |
| C36 | NL | HNL | 117.7° | 118.1° |
| C38 | C37 | C40 | 107.9° | 111.4° |
| C38 | C37 | NL | 103.1° | 113.9° |
| C38 | C37 | H37 | 111.9° | 106.2° |
| C37 | C38 | CD | 106.2° | 117.5° |
| C37 | C38 | OH3 | 116.9° | 107.6° |
| C37 | C38 | H38 | 109.2° | 105.7° |
| C40 | C37 | NL | 109.0° | 112.5° |
| C40 | C37 | H37 | 111.6° | 106.4° |
| C37 | C40 | NM | 120.1° | 117.6° |
| C37 | C40 | O40 | 118.6° | 119.4° |
| NL | C37 | H37 | 112.9° | 105.7° |
| C37 | NL | HNL | 117.7° | 117.1° |
| CD | C38 | OH3 | 103.3° | 109.9° |
| CD | C38 | H38 | 109.4° | 107.3° |
| C38 | CD | HDA | 109.5° | 109.5° |
| C38 | CD | HDB | 109.5° | 109.8° |
| C38 | CD | HDC | 109.5° | 109.5° |
| OH3 | C38 | H38 | 111.4° | 108.4° |
| C38 | OH3 | HO3 | 109.5° | 111.8° |
| C5 | C4 | ND | 121.9° | 117.3° |
| C5 | C4 | O4 | 112.8° | 120.6° |
| C4 | C5 | C6 | 113.9° | 114.2° |
| C4 | C5 | H5E | 108.4° | 109.4° |
| C4 | C5 | H5X | 108.4° | 108.4° |
| ND | C4 | O4 | 125.3° | 122.0° |
| C4 | ND | HD1 | 120.0° | 119.1° |
| C4 | ND | HD2 | 120.0° | 122.1° |
| NM | C40 | O40 | 121.3° | 123.0° |
| C40 | NM | C41 | 137.3° | 126.3° |
| C40 | NM | HNM | 111.4° | 119.7° |
| C42 | C41 | NM | 105.3° | 114.1° |
| C42 | C41 | H1E | 110.5° | 108.5° |
| C42 | C41 | H1X | 110.5° | 108.7° |
| C41 | C42 | C43 | 122.2° | 113.0° |
| C41 | C42 | H2E | 106.2° | 109.1° |
| C41 | C42 | H2X | 106.2° | 109.0° |
| NM | C41 | H1E | 110.5° | 108.6° |
| NM | C41 | H1X | 110.5° | 108.8° |
| C41 | NM | HNM | 111.4° | 114.0° |
| H1E | C41 | H1X | 109.5° | 108.0° |
| C43 | C42 | H2E | 106.2° | 108.8° |
| C43 | C42 | H2X | 106.2° | 108.8° |
| C42 | C43 | NN | 124.8° | 125.4° |
| C42 | C43 | S43 | 122.3° | 123.5° |
| H2E | C42 | H2X | 109.5° | 108.0° |
| NN | C43 | S43 | 112.6° | 111.1° |
| C43 | NN | C45 | 113.9° | 113.7° |
| C43 | S43 | C44 | 87.0° | 91.9° |
| C45 | C44 | S43 | 110.4° | 109.4° |
| C45 | C44 | H44 | 124.8° | 126.1° |
| C44 | C45 | C46 | 123.2° | 128.2° |
| C44 | C45 | NN | 116.1° | 113.9° |
| S43 | C44 | H44 | 124.8° | 124.6° |
| C46 | C45 | NN | 120.6° | 117.9° |
| C45 | C46 | NO | 124.4° | 125.4° |
| C45 | C46 | S46 | 122.5° | 122.2° |
| NO | C46 | S46 | 113.0° | 112.4° |
| C46 | NO | C48 | 114.6° | 112.3° |
| C46 | S46 | C47 | 86.3° | 91.4° |
| C48 | C47 | S46 | 112.0° | 109.4° |
| C48 | C47 | H47 | 124.0° | 125.9° |
| C47 | C48 | C49 | 127.5° | 124.3° |
| C47 | C48 | NO | 114.1° | 114.5° |
| S46 | C47 | H47 | 124.0° | 124.8° |
| C49 | C48 | NO | 118.4° | 121.1° |
| C48 | C49 | NP | 123.3° | 115.7° |
| C48 | C49 | O49 | 115.5° | 121.5° |
| NP | C49 | O49 | 121.1° | 122.9° |
| C49 | NP | C51 | 128.2° | 126.3° |
| C49 | NP | HNP | 115.9° | 117.4° |
| C6 | C5 | H5E | 108.4° | 110.4° |
| C6 | C5 | H5X | 108.3° | 108.8° |
| C5 | C6 | C7 | 96.8° | 116.5° |
| C5 | C6 | NC | 118.3° | 116.3° |
| C5 | C6 | H6 | 110.1° | 103.4° |
| H5E | C5 | H5X | 109.5° | 105.4° |
| C52 | C51 | NP | 113.4° | 112.0° |
| C52 | C51 | H6E | 108.5° | 109.1° |
| C52 | C51 | H6X | 108.5° | 109.8° |
| C51 | C52 | C53 | 119.2° | 117.0° |
| C51 | C52 | H7E | 107.0° | 108.2° |
| C51 | C52 | H7X | 107.0° | 108.2° |
| NP | C51 | H6E | 108.5° | 108.7° |
| NP | C51 | H6X | 108.5° | 109.6° |
| C51 | NP | HNP | 115.9° | 116.3° |
| H6E | C51 | H6X | 109.5° | 107.5° |
| C53 | C52 | H7E | 107.0° | 108.2° |
| C53 | C52 | H7X | 107.0° | 108.5° |
| C52 | C53 | NQ | 114.4° | 112.7° |
| C52 | C53 | H8E | 108.2° | 109.2° |
| C52 | C53 | H8X | 108.2° | 108.8° |
| H7E | C52 | H7X | 109.5° | 106.0° |
| NQ | C53 | H8E | 108.2° | 109.4° |
| NQ | C53 | H8X | 108.2° | 109.3° |
| C53 | NQ | C54 | 131.4° | 115.3° |
| C53 | NQ | HNQ | 103.7° | 108.3° |
| H8E | C53 | H8X | 109.5° | 107.4° |
| C56 | C54 | CE | 115.7° | 111.0° |
| C56 | C54 | NQ | 112.8° | 116.1° |
| C56 | C54 | H54 | 106.6° | 107.2° |
| C54 | C56 | C57 | 123.9° | 122.4° |
| C54 | C56 | C61 | 122.2° | 120.0° |
| CE | C54 | NQ | 106.7° | 107.9° |
| CE | C54 | H54 | 106.9° | 106.5° |
| C54 | CE | HEA | 109.5° | 109.6° |
| C54 | CE | HEB | 109.5° | 109.5° |
| C54 | CE | HEC | 109.5° | 109.5° |
| NQ | C54 | H54 | 107.7° | 107.7° |
| C54 | NQ | HNQ | 103.8° | 111.2° |
| C57 | C56 | C61 | 113.9° | 117.7° |
| C56 | C57 | C58 | 122.7° | 121.0° |
| C56 | C57 | H57 | 118.7° | 119.5° |
| C56 | C61 | C60 | 122.8° | 121.0° |
| C56 | C61 | H61 | 118.6° | 119.6° |
| C58 | C57 | H57 | 118.6° | 119.5° |
| C57 | C58 | C59 | 120.5° | 120.2° |
| C57 | C58 | H58 | 119.8° | 119.8° |
| C59 | C58 | H58 | 119.7° | 120.0° |
| C58 | C59 | C60 | 119.4° | 119.9° |
| C58 | C59 | H59 | 120.3° | 120.0° |
| C60 | C59 | H59 | 120.3° | 120.1° |
| C59 | C60 | C61 | 120.5° | 120.3° |
| C59 | C60 | H60 | 119.7° | 119.9° |
| C7 | C6 | NC | 109.4° | 108.2° |
| C7 | C6 | H6 | 111.2° | 106.0° |
| C6 | C7 | NE | 122.8° | 124.5° |
| C6 | C7 | NG | 117.6° | 112.5° |
| NC | C6 | H6 | 110.3° | 105.2° |
| C6 | NC | HNC | 108.3° | 107.3° |
| C6 | NC | CO | 111.5° | 106.3° |
| C61 | C60 | H60 | 119.7° | 119.8° |
| C60 | C61 | H61 | 118.6° | 119.4° |
| NE | C7 | NG | 119.4° | 123.0° |
| C7 | NE | C8 | 119.5° | 118.3° |
| C7 | NG | CO | 119.0° | 118.1° |
| C9 | C8 | NE | 121.9° | 121.2° |
| C9 | C8 | NF | 122.5° | 124.3° |
| C8 | C9 | CA | 116.1° | 120.9° |
| NE | C8 | NF | 115.6° | 114.5° |
| C8 | NF | HF1 | 109.5° | 118.7° |
| C8 | NF | HF2 | 109.4° | 124.4° |
| C9 | CA | HAA | 109.5° | 110.2° |
| C9 | CA | HAB | 109.4° | 110.0° |
| C9 | CA | HAC | 109.5° | 109.7° |
| HAA | CA | HAB | 109.5° | 108.0° |
| HAA | CA | HAC | 109.5° | 109.5° |
| HAB | CA | HAC | 109.5° | 109.5° |
| HBA | CB | HBB | 109.5° | 109.2° |
| HBA | CB | HBC | 109.5° | 109.3° |
| HBB | CB | HBC | 109.5° | 109.4° |
| HCA | CC | HCB | 109.5° | 109.4° |
| HCA | CC | HCC | 109.5° | 109.4° |
| HCB | CC | HCC | 109.5° | 109.5° |
| HDA | CD | HDB | 109.5° | 109.3° |
| HDA | CD | HDC | 109.5° | 109.3° |
| HDB | CD | HDC | 109.5° | 109.4° |
| HEA | CE | HEB | 109.5° | 109.4° |
| HEA | CE | HEC | 109.4° | 109.4° |
| HEB | CE | HEC | 109.5° | 109.4° |
| HA1 | NA | HA2 | 120.0° | 118.4° |
| HB1 | NB | HB2 | 109.5° | 106.9° |
| HB1 | NB | CO | 109.1° | 114.1° |
| HB2 | NB | CO | 109.1° | 107.8° |
| HNC | NC | CO | 103.7° | 110.0° |
| HD1 | ND | HD2 | 120.0° | 118.8° |
| HF1 | NF | HF2 | 109.5° | 116.9° |
| NG | CO | O1P | 85.5° | 82.6° |
| NG | CO | NB | 90.9° | 97.8° |
| NG | CO | NC | 82.4° | 82.3° |
| NG | CO | NH | 79.7° | 80.4° |
| NG | CO | NJ | 170.4° | 171.4° |
| O2P | O1P | CO | 116.0° | 120.9° |
| O1P | O2P | H2P | 109.5° | 109.7° |
| O1P | CO | NB | 174.8° | 172.6° |
| O1P | CO | NC | 94.4° | 98.6° |
| O1P | CO | NH | 85.9° | 87.3° |
| O1P | CO | NJ | 91.4° | 88.9° |
| NB | CO | NC | 81.4° | 88.8° |
| NB | CO | NH | 97.1° | 85.5° |
| NB | CO | NJ | 92.8° | 90.4° |
| NC | CO | NH | 162.0° | 160.8° |
| NC | CO | NJ | 106.9° | 100.7° |
| NH | CO | NJ | 91.1° | 97.7° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | NA | O1 | 180.0° | 179.5° |
| C1 | C2 | C3 | NB | 125.8° | 126.0° |
| C1 | C2 | C3 | H2 | 116.4° | 118.4° |
| C1 | C2 | NB | H2 | 120.1° | 118.7° |
| C1 | C2 | C3 | NC | 136.0° | 165.5° |
| C1 | C2 | C3 | H3E | 15.6° | 70.3° |
| C1 | C2 | C3 | H3X | 103.6° | 45.0° |
| C2 | C1 | NA | HA1 | 180.0° | 179.5° |
| C2 | C1 | NA | HA2 | 0.1° | 0.9° |
| C1 | C2 | NB | HB1 | 139.4° | 75.3° |
| C1 | C2 | NB | HB2 | 19.9° | 41.4° |
| C1 | C2 | NB | CO | 100.4° | 159.2° |
| NA | C1 | C2 | C3 | 76.8° | 94.0° |
| NA | C1 | C2 | NB | 160.0° | 142.1° |
| NA | C1 | C2 | H2 | 39.6° | 24.3° |
| C1 | NA | HA1 | HA2 | 180.0° | 179.6° |
| O1 | C1 | C2 | C3 | 103.2° | 85.6° |
| O1 | C1 | C2 | NB | 20.0° | 38.3° |
| O1 | C1 | C2 | H2 | 140.4° | 156.2° |
| O1 | C1 | NA | HA1 | 0.0° | 1.0° |
| O1 | C1 | NA | HA2 | 180.0° | 178.6° |
| C12 | C10 | C9 | NG | 173.1° | 179.5° |
| C10 | C12 | NH | O12 | 178.8° | 178.0° |
| C10 | C12 | NH | C13 | 177.6° | 170.4° |
| C12 | C10 | NG | C7 | 177.3° | 180.0° |
| C12 | C10 | C9 | C8 | 173.7° | 179.6° |
| C12 | C10 | C9 | CA | 10.9° | 0.3° |
| C12 | C10 | NG | CO | 2.2° | 6.8° |
| C10 | C12 | NH | CO | 1.3° | 9.4° |
| C9 | C10 | C12 | NH | 174.0° | 178.3° |
| C9 | C10 | C12 | O12 | 4.8° | 0.2° |
| C9 | C10 | NG | C7 | 3.3° | 0.4° |
| C10 | C9 | C8 | CA | 175.9° | 179.4° |
| C10 | C9 | C8 | NE | 1.4° | 0.5° |
| C10 | C9 | C8 | NF | 176.1° | 179.5° |
| C10 | C9 | CA | HAA | 87.3° | 151.2° |
| C10 | C9 | CA | HAB | 152.8° | 32.2° |
| C10 | C9 | CA | HAC | 32.8° | 88.2° |
| C9 | C10 | NG | CO | 176.2° | 172.8° |
| NG | C10 | C12 | NH | 0.4° | 2.1° |
| NG | C10 | C12 | O12 | 178.3° | 179.8° |
| C10 | NG | C7 | C6 | 179.3° | 178.4° |
| C10 | NG | C7 | NE | 3.8° | 0.5° |
| C10 | NG | C7 | CO | 179.5° | 173.3° |
| NG | C10 | C9 | C8 | 0.7° | 0.8° |
| NG | C10 | C9 | CA | 176.0° | 179.8° |
| C10 | NG | CO | O1P | 84.4° | 98.0° |
| C10 | NG | CO | NB | 99.3° | 74.6° |
| C10 | NG | CO | NC | 179.5° | 162.3° |
| C10 | NG | CO | NH | 2.3° | 9.5° |
| C10 | NG | CO | NJ | 13.3° | 87.2° |
| C12 | NH | C13 | C14 | 143.5° | 152.7° |
| C12 | NH | C13 | C30 | 90.3° | 77.4° |
| C12 | NH | C13 | CO | 178.7° | 179.8° |
| C12 | NH | C13 | H13 | 29.0° | 34.6° |
| C12 | NH | CO | NG | 1.9° | 10.1° |
| C12 | NH | CO | O1P | 84.3° | 93.1° |
| C12 | NH | CO | NB | 91.5° | 88.6° |
| C12 | NH | CO | NC | 7.7° | 15.5° |
| C12 | NH | CO | NJ | 175.6° | 178.4° |
| O12 | C12 | NH | C13 | 1.2° | 7.7° |
| O12 | C12 | NH | CO | 179.9° | 172.5° |
| C14 | C13 | C30 | NH | 121.9° | 130.9° |
| C14 | C13 | C30 | H13 | 118.4° | 113.8° |
| C14 | C13 | NH | H13 | 114.5° | 118.1° |
| C13 | C14 | C27 | OH1 | 118.2° | 121.6° |
| C13 | C14 | C27 | H14 | 119.7° | 122.2° |
| C13 | C14 | OH1 | H14 | 118.5° | 114.5° |
| C13 | C14 | C27 | C28 | 114.5° | 137.8° |
| C13 | C14 | C27 | NJ | 63.7° | 44.2° |
| C14 | C13 | C30 | NK | 119.7° | 104.3° |
| C14 | C13 | C30 | O30 | 60.4° | 75.1° |
| C13 | C14 | OH1 | HO1 | 180.0° | 171.3° |
| C14 | C13 | NH | CO | 35.2° | 27.5° |
| C30 | C13 | NH | H13 | 119.2° | 112.0° |
| C30 | C13 | C14 | C27 | 57.6° | 79.3° |
| C30 | C13 | C14 | OH1 | 178.4° | 158.1° |
| C30 | C13 | C14 | H14 | 62.3° | 43.2° |
| C13 | C30 | NK | O30 | 179.9° | 179.3° |
| C13 | C30 | NK | C31 | 175.9° | 164.8° |
| C13 | C30 | NK | HNK | 4.1° | 16.9° |
| C30 | C13 | NH | CO | 91.1° | 102.4° |
| NH | C13 | C14 | C27 | 69.3° | 50.1° |
| NH | C13 | C14 | OH1 | 51.4° | 72.5° |
| NH | C13 | C14 | H14 | 170.7° | 172.6° |
| NH | C13 | C30 | NK | 2.3° | 26.6° |
| NH | C13 | C30 | O30 | 177.6° | 154.0° |
| C13 | NH | CO | NG | 176.8° | 169.7° |
| C13 | NH | CO | O1P | 97.0° | 86.7° |
| C13 | NH | CO | NB | 87.2° | 91.6° |
| C13 | NH | CO | NC | 171.1° | 164.8° |
| C13 | NH | CO | NJ | 5.7° | 1.8° |
| H13 | C13 | C14 | C27 | 175.8° | 169.2° |
| H13 | C13 | C14 | OH1 | 63.4° | 46.6° |
| H13 | C13 | C14 | H14 | 55.9° | 68.4° |
| H13 | C13 | C30 | NK | 121.9° | 141.9° |
| H13 | C13 | C30 | O30 | 58.0° | 38.7° |
| H13 | C13 | NH | CO | 149.7° | 145.6° |
| C27 | C14 | OH1 | H14 | 121.5° | 116.2° |
| C14 | C27 | C28 | NJ | 178.4° | 178.2° |
| C14 | C27 | C28 | NI | 178.3° | 178.8° |
| C14 | C27 | C28 | H28 | 1.7° | 1.7° |
| C14 | C27 | NJ | C29 | 178.9° | 178.3° |
| C27 | C14 | OH1 | HO1 | 59.9° | 59.4° |
| C14 | C27 | NJ | CO | 10.6° | 12.5° |
| OH1 | C14 | C27 | C28 | 127.3° | 100.6° |
| OH1 | C14 | C27 | NJ | 54.6° | 77.4° |
| H14 | C14 | C27 | C28 | 5.2° | 15.6° |
| H14 | C14 | C27 | NJ | 176.6° | 166.4° |
| H14 | C14 | OH1 | HO1 | 61.5° | 56.7° |
| C3 | C2 | NB | H2 | 117.6° | 116.2° |
| C2 | C3 | NC | H3E | 120.4° | 122.7° |
| C2 | C3 | NC | H3X | 120.4° | 120.4° |
| C2 | C3 | H3E | H3X | 118.7° | 116.1° |
| C2 | C3 | NC | C6 | 89.2° | 96.2° |
| C3 | C2 | NB | HB1 | 98.3° | 159.6° |
| C3 | C2 | NB | HB2 | 142.1° | 83.7° |
| C2 | C3 | NC | HNC | 147.5° | 141.1° |
| C3 | C2 | NB | CO | 21.9° | 34.0° |
| C2 | C3 | NC | CO | 36.3° | 23.9° |
| NB | C2 | C3 | NC | 10.2° | 39.5° |
| NB | C2 | C3 | H3E | 110.2° | 163.7° |
| NB | C2 | C3 | H3X | 130.6° | 80.9° |
| C2 | NB | HB1 | HB2 | 119.3° | 118.3° |
| C2 | NB | HB1 | CO | 121.4° | 122.7° |
| C2 | NB | HB2 | CO | 121.4° | 118.7° |
| C2 | NB | CO | NG | 116.6° | 64.4° |
| C2 | NB | CO | O1P | 71.0° | 157.6° |
| C2 | NB | CO | NC | 34.4° | 17.6° |
| C2 | NB | CO | NH | 163.7° | 144.0° |
| C2 | NB | CO | NJ | 72.3° | 118.3° |
| H2 | C2 | C3 | NC | 107.6° | 76.1° |
| H2 | C2 | C3 | H3E | 131.9° | 48.2° |
| H2 | C2 | C3 | H3X | 12.8° | 163.5° |
| H2 | C2 | NB | HB1 | 19.3° | 43.4° |
| H2 | C2 | NB | HB2 | 100.3° | 160.1° |
| H2 | C2 | NB | CO | 139.5° | 82.2° |
| C27 | C28 | NI | H28 | 180.0° | 179.5° |
| C27 | C28 | NI | C29 | 0.7° | 0.9° |
| C28 | C27 | NJ | C29 | 0.6° | 0.0° |
| C27 | C28 | NI | HNI | 179.3° | 179.5° |
| C28 | C27 | NJ | CO | 167.8° | 169.2° |
| NJ | C27 | C28 | NI | 0.1° | 0.6° |
| NJ | C27 | C28 | H28 | 179.9° | 179.9° |
| C27 | NJ | C29 | NI | 1.0° | 0.6° |
| C27 | NJ | C29 | CO | 165.2° | 168.5° |
| C27 | NJ | C29 | H29 | 179.0° | 178.9° |
| C27 | NJ | CO | NG | 34.8° | 83.4° |
| C27 | NJ | CO | O1P | 105.5° | 94.1° |
| C27 | NJ | CO | NB | 77.6° | 78.6° |
| C27 | NJ | CO | NC | 159.5° | 167.4° |
| C27 | NJ | CO | NH | 19.5° | 7.0° |
| C28 | NI | C29 | HNI | 180.0° | 179.6° |
| C28 | NI | C29 | NJ | 1.1° | 0.9° |
| C28 | NI | C29 | H29 | 178.9° | 179.3° |
| H28 | C28 | NI | C29 | 179.3° | 179.6° |
| H28 | C28 | NI | HNI | 0.7° | 0.1° |
| NI | C29 | NJ | H29 | 180.0° | 178.3° |
| NI | C29 | NJ | CO | 164.1° | 167.9° |
| C29 | NJ | CO | NG | 128.7° | 83.3° |
| NJ | C29 | NI | HNI | 178.9° | 179.4° |
| C29 | NJ | CO | O1P | 58.0° | 72.6° |
| C29 | NJ | CO | NB | 118.9° | 114.8° |
| C29 | NJ | CO | NC | 37.0° | 25.9° |
| C29 | NJ | CO | NH | 144.0° | 159.7° |
| H29 | C29 | NI | HNI | 1.1° | 1.1° |
| H29 | C29 | NJ | CO | 15.8° | 10.4° |
| NC | C3 | H3E | H3X | 118.7° | 117.7° |
| C3 | NC | C6 | C5 | 15.9° | 51.1° |
| C3 | NC | C6 | C7 | 125.4° | 82.2° |
| C3 | NC | C6 | HNC | 123.5° | 122.6° |
| C3 | NC | C6 | CO | 123.0° | 119.7° |
| C3 | NC | C6 | H6 | 112.0° | 164.8° |
| C3 | NC | HNC | CO | 113.0° | 114.3° |
| C3 | NC | CO | NG | 130.8° | 101.6° |
| C3 | NC | CO | O1P | 144.3° | 177.1° |
| C3 | NC | CO | NB | 38.8° | 3.5° |
| C3 | NC | CO | NH | 125.1° | 76.2° |
| C3 | NC | CO | NJ | 51.5° | 86.6° |
| H3E | C3 | NC | C6 | 150.3° | 26.6° |
| H3E | C3 | NC | HNC | 27.1° | 96.2° |
| H3E | C3 | NC | CO | 84.1° | 146.6° |
| H3X | C3 | NC | C6 | 31.2° | 143.5° |
| H3X | C3 | NC | HNC | 92.1° | 20.8° |
| H3X | C3 | NC | CO | 156.7° | 96.5° |
| C30 | NK | C31 | C33 | 126.0° | 109.3° |
| C30 | NK | C31 | CB | 107.0° | 120.9° |
| C30 | NK | C31 | HNK | 180.0° | 178.3° |
| C30 | NK | C31 | H31 | 7.4° | 7.7° |
| O30 | C30 | NK | C31 | 4.0° | 15.9° |
| O30 | C30 | NK | HNK | 176.0° | 162.4° |
| C33 | C31 | CB | NK | 111.7° | 125.0° |
| C33 | C31 | CB | H31 | 132.2° | 120.4° |
| C33 | C31 | NK | H31 | 118.6° | 117.0° |
| C31 | C33 | C34 | OH2 | 128.4° | 126.0° |
| C31 | C33 | C34 | H33 | 119.0° | 118.6° |
| C31 | C33 | OH2 | H33 | 116.1° | 114.7° |
| C31 | C33 | C34 | C36 | 167.9° | 155.3° |
| C31 | C33 | C34 | CC | 53.3° | 77.8° |
| C31 | C33 | C34 | H34 | 58.1° | 38.4° |
| C33 | C31 | CB | HBA | 180.0° | 177.0° |
| C33 | C31 | CB | HBB | 60.0° | 63.3° |
| C33 | C31 | CB | HBC | 60.0° | 57.0° |
| C33 | C31 | NK | HNK | 54.0° | 69.0° |
| C31 | C33 | OH2 | HO2 | 180.0° | 154.4° |
| CB | C31 | NK | H31 | 114.4° | 113.2° |
| CB | C31 | C33 | C34 | 172.8° | 89.8° |
| CB | C31 | C33 | OH2 | 62.7° | 37.4° |
| CB | C31 | C33 | H33 | 54.2° | 151.6° |
| C31 | CB | HBA | HBB | 120.0° | 120.0° |
| C31 | CB | HBA | HBC | 120.0° | 120.3° |
| C31 | CB | HBB | HBC | 120.0° | 120.4° |
| CB | C31 | NK | HNK | 73.0° | 60.9° |
| NK | C31 | C33 | C34 | 64.4° | 146.4° |
| NK | C31 | C33 | OH2 | 171.2° | 86.3° |
| NK | C31 | C33 | H33 | 54.2° | 27.9° |
| NK | C31 | CB | HBA | 68.3° | 58.0° |
| NK | C31 | CB | HBB | 171.7° | 61.7° |
| NK | C31 | CB | HBC | 51.7° | 178.0° |
| H31 | C31 | C33 | C34 | 55.2° | 29.5° |
| H31 | C31 | C33 | OH2 | 69.2° | 156.7° |
| H31 | C31 | C33 | H33 | 173.8° | 89.0° |
| H31 | C31 | CB | HBA | 47.8° | 56.6° |
| H31 | C31 | CB | HBB | 72.2° | 176.3° |
| H31 | C31 | CB | HBC | 167.8° | 63.5° |
| H31 | C31 | NK | HNK | 172.6° | 174.0° |
| C34 | C33 | OH2 | H33 | 111.0° | 115.9° |
| C33 | C34 | C36 | CC | 135.9° | 130.7° |
| C33 | C34 | C36 | H34 | 109.8° | 116.9° |
| C33 | C34 | CC | H34 | 111.0° | 118.1° |
| C33 | C34 | C36 | NL | 33.8° | 74.3° |
| C33 | C34 | C36 | O36 | 143.0° | 105.3° |
| C33 | C34 | CC | HCA | 180.0° | 179.1° |
| C33 | C34 | CC | HCB | 60.0° | 60.9° |
| C33 | C34 | CC | HCC | 60.0° | 59.2° |
| C34 | C33 | OH2 | HO2 | 47.1° | 76.2° |
| OH2 | C33 | C34 | C36 | 63.7° | 78.7° |
| OH2 | C33 | C34 | CC | 75.1° | 48.2° |
| OH2 | C33 | C34 | H34 | 173.6° | 164.4° |
| H33 | C33 | C34 | C36 | 49.0° | 36.7° |
| H33 | C33 | C34 | CC | 172.2° | 163.7° |
| H33 | C33 | C34 | H34 | 60.9° | 80.2° |
| H33 | C33 | OH2 | HO2 | 63.9° | 39.7° |
| C36 | C34 | CC | H34 | 114.1° | 114.6° |
| C34 | C36 | NL | O36 | 176.8° | 179.5° |
| C34 | C36 | NL | C37 | 165.3° | 176.4° |
| C36 | C34 | CC | HCA | 45.1° | 51.9° |
| C36 | C34 | CC | HCB | 74.9° | 171.8° |
| C36 | C34 | CC | HCC | 165.1° | 68.1° |
| C34 | C36 | NL | HNL | 14.8° | 4.3° |
| CC | C34 | C36 | NL | 102.1° | 56.4° |
| CC | C34 | C36 | O36 | 81.1° | 124.0° |
| C34 | CC | HCA | HCB | 120.0° | 120.1° |
| C34 | CC | HCA | HCC | 120.0° | 120.1° |
| C34 | CC | HCB | HCC | 120.0° | 120.2° |
| H34 | C34 | C36 | NL | 143.6° | 168.8° |
| H34 | C34 | C36 | O36 | 33.3° | 11.6° |
| H34 | C34 | CC | HCA | 69.1° | 62.8° |
| H34 | C34 | CC | HCB | 171.0° | 57.1° |
| H34 | C34 | CC | HCC | 51.0° | 177.3° |
| C36 | NL | C37 | C38 | 51.9° | 164.5° |
| C36 | NL | C37 | C40 | 166.3° | 67.5° |
| C36 | NL | C37 | HNL | 180.0° | 179.3° |
| C36 | NL | C37 | H37 | 69.1° | 48.3° |
| O36 | C36 | NL | C37 | 11.5° | 4.0° |
| O36 | C36 | NL | HNL | 168.5° | 175.2° |
| C38 | C37 | C40 | NL | 111.3° | 129.4° |
| C38 | C37 | C40 | H37 | 123.4° | 115.3° |
| C38 | C37 | NL | H37 | 121.0° | 116.2° |
| C37 | C38 | CD | OH3 | 123.6° | 123.5° |
| C37 | C38 | CD | H38 | 117.7° | 118.8° |
| C37 | C38 | OH3 | H38 | 126.5° | 113.9° |
| C38 | C37 | C40 | NM | 13.0° | 87.3° |
| C38 | C37 | C40 | O40 | 164.9° | 93.2° |
| C37 | C38 | CD | HDA | 180.0° | 179.5° |
| C37 | C38 | CD | HDB | 60.0° | 60.5° |
| C37 | C38 | CD | HDC | 60.0° | 59.7° |
| C38 | C37 | NL | HNL | 128.1° | 14.8° |
| C37 | C38 | OH3 | HO3 | 180.0° | 165.1° |
| C40 | C37 | NL | H37 | 124.6° | 115.7° |
| C40 | C37 | C38 | CD | 63.8° | 64.5° |
| C40 | C37 | C38 | OH3 | 50.7° | 60.2° |
| C40 | C37 | C38 | H38 | 178.3° | 175.9° |
| C37 | C40 | NM | O40 | 177.8° | 179.5° |
| C37 | C40 | NM | C41 | 173.0° | 179.9° |
| C40 | C37 | NL | HNL | 13.7° | 113.3° |
| C37 | C40 | NM | HNM | 7.1° | 0.3° |
| NL | C37 | C38 | CD | 51.4° | 64.1° |
| NL | C37 | C38 | OH3 | 166.0° | 171.2° |
| NL | C37 | C38 | H38 | 66.4° | 55.5° |
| NL | C37 | C40 | NM | 124.3° | 143.3° |
| NL | C37 | C40 | O40 | 53.6° | 36.2° |
| H37 | C37 | C38 | CD | 173.0° | 179.9° |
| H37 | C37 | C38 | OH3 | 72.4° | 55.2° |
| H37 | C37 | C38 | H38 | 55.2° | 60.5° |
| H37 | C37 | C40 | NM | 110.4° | 28.0° |
| H37 | C37 | C40 | O40 | 71.7° | 151.6° |
| H37 | C37 | NL | HNL | 110.9° | 131.0° |
| CD | C38 | OH3 | H38 | 117.3° | 117.0° |
| C38 | CD | HDA | HDB | 120.0° | 120.3° |
| C38 | CD | HDA | HDC | 120.0° | 120.0° |
| C38 | CD | HDB | HDC | 120.0° | 120.2° |
| CD | C38 | OH3 | HO3 | 63.8° | 65.7° |
| OH3 | C38 | CD | HDA | 56.4° | 57.0° |
| OH3 | C38 | CD | HDB | 176.4° | 63.0° |
| OH3 | C38 | CD | HDC | 63.6° | 176.8° |
| H38 | C38 | CD | HDA | 62.3° | 60.8° |
| H38 | C38 | CD | HDB | 57.7° | 179.3° |
| H38 | C38 | CD | HDC | 177.7° | 59.1° |
| H38 | C38 | OH3 | HO3 | 53.5° | 51.2° |
| C5 | C4 | ND | O4 | 179.2° | 179.8° |
| C4 | C5 | C6 | H5E | 120.7° | 123.7° |
| C4 | C5 | C6 | H5X | 120.6° | 121.2° |
| C4 | C5 | H5E | H5X | 118.0° | 116.4° |
| C4 | C5 | C6 | C7 | 173.3° | 165.9° |
| C4 | C5 | C6 | NC | 70.4° | 64.7° |
| C4 | C5 | C6 | H6 | 57.7° | 50.1° |
| C5 | C4 | ND | HD1 | 179.2° | 179.6° |
| C5 | C4 | ND | HD2 | 0.8° | 0.6° |
| ND | C4 | C5 | C6 | 60.6° | 87.5° |
| ND | C4 | C5 | H5E | 60.1° | 148.3° |
| ND | C4 | C5 | H5X | 178.8° | 33.9° |
| C4 | ND | HD1 | HD2 | 180.0° | 179.8° |
| O4 | C4 | C5 | C6 | 118.7° | 92.7° |
| O4 | C4 | C5 | H5E | 120.7° | 31.5° |
| O4 | C4 | C5 | H5X | 1.9° | 145.9° |
| O4 | C4 | ND | HD1 | 0.0° | 0.2° |
| O4 | C4 | ND | HD2 | 180.0° | 179.6° |
| C40 | NM | C41 | C42 | 98.5° | 80.5° |
| C40 | NM | C41 | HNM | 180.0° | 179.6° |
| C40 | NM | C41 | H1E | 142.1° | 158.3° |
| C40 | NM | C41 | H1X | 20.8° | 41.0° |
| O40 | C40 | NM | C41 | 4.9° | 0.6° |
| O40 | C40 | NM | HNM | 175.1° | 179.8° |
| C42 | C41 | NM | H1E | 119.4° | 121.2° |
| C42 | C41 | NM | H1X | 119.3° | 121.5° |
| C42 | C41 | H1E | H1X | 122.0° | 117.7° |
| C41 | C42 | C43 | H2E | 121.7° | 121.3° |
| C41 | C42 | C43 | H2X | 121.8° | 121.3° |
| C41 | C42 | H2E | H2X | 114.3° | 118.4° |
| C41 | C42 | C43 | NN | 47.5° | 85.9° |
| C41 | C42 | C43 | S43 | 139.4° | 94.3° |
| C42 | C41 | NM | HNM | 81.5° | 99.9° |
| NM | C41 | H1E | H1X | 121.9° | 117.8° |
| NM | C41 | C42 | C43 | 162.1° | 65.1° |
| NM | C41 | C42 | H2E | 40.4° | 56.1° |
| NM | C41 | C42 | H2X | 76.1° | 173.8° |
| H1E | C41 | C42 | C43 | 42.8° | 56.2° |
| H1E | C41 | C42 | H2E | 78.9° | 177.3° |
| H1E | C41 | C42 | H2X | 164.6° | 64.9° |
| H1E | C41 | NM | HNM | 37.8° | 21.3° |
| H1X | C41 | C42 | C43 | 78.5° | 173.4° |
| H1X | C41 | C42 | H2E | 159.7° | 65.4° |
| H1X | C41 | C42 | H2X | 43.2° | 52.3° |
| H1X | C41 | NM | HNM | 159.1° | 138.6° |
| C43 | C42 | H2E | H2X | 114.3° | 117.9° |
| C42 | C43 | NN | S43 | 173.7° | 179.8° |
| C42 | C43 | S43 | C44 | 174.4° | 179.9° |
| C42 | C43 | NN | C45 | 173.7° | 179.8° |
| H2E | C42 | C43 | NN | 74.2° | 152.7° |
| H2E | C42 | C43 | S43 | 98.9° | 27.0° |
| H2X | C42 | C43 | NN | 169.3° | 35.3° |
| H2X | C42 | C43 | S43 | 17.6° | 144.4° |
| C43 | NN | C45 | C44 | 0.8° | 0.1° |
| NN | C43 | S43 | C44 | 0.5° | 0.1° |
| C43 | NN | C45 | C46 | 176.2° | 179.9° |
| C43 | S43 | C44 | C45 | 0.9° | 0.1° |
| C43 | S43 | C44 | H44 | 179.1° | 180.0° |
| S43 | C43 | NN | C45 | 0.0° | 0.0° |
| C45 | C44 | S43 | H44 | 180.0° | 179.8° |
| C44 | C45 | C46 | NN | 176.8° | 179.8° |
| C44 | C45 | C46 | NO | 0.4° | 179.7° |
| C44 | C45 | C46 | S46 | 176.6° | 0.6° |
| S43 | C44 | C45 | C46 | 175.7° | 179.9° |
| S43 | C44 | C45 | NN | 1.2° | 0.2° |
| H44 | C44 | C45 | C46 | 4.3° | 0.3° |
| H44 | C44 | C45 | NN | 178.8° | 180.0° |
| C45 | C46 | NO | S46 | 177.2° | 179.8° |
| C45 | C46 | S46 | C47 | 177.0° | 179.8° |
| C45 | C46 | NO | C48 | 176.9° | 180.0° |
| NN | C45 | C46 | NO | 177.1° | 0.6° |
| NN | C45 | C46 | S46 | 0.2° | 179.2° |
| C46 | NO | C48 | C47 | 0.2° | 0.4° |
| NO | C46 | S46 | C47 | 0.2° | 0.1° |
| C46 | NO | C48 | C49 | 178.4° | 179.9° |
| C46 | S46 | C47 | C48 | 0.1° | 0.2° |
| C46 | S46 | C47 | H47 | 179.9° | 179.8° |
| S46 | C46 | NO | C48 | 0.2° | 0.2° |
| C48 | C47 | S46 | H47 | 180.0° | 179.6° |
| C47 | C48 | C49 | NO | 178.3° | 179.5° |
| C47 | C48 | C49 | NP | 0.7° | 178.1° |
| C47 | C48 | C49 | O49 | 179.8° | 2.2° |
| S46 | C47 | C48 | C49 | 178.4° | 179.8° |
| S46 | C47 | C48 | NO | 0.0° | 0.3° |
| H47 | C47 | C48 | C49 | 1.7° | 0.6° |
| H47 | C47 | C48 | NO | 180.0° | 179.9° |
| C48 | C49 | NP | O49 | 179.0° | 179.7° |
| C48 | C49 | NP | C51 | 179.1° | 179.7° |
| C48 | C49 | NP | HNP | 0.9° | 0.4° |
| NO | C48 | C49 | NP | 177.6° | 2.4° |
| NO | C48 | C49 | O49 | 1.5° | 177.3° |
| C49 | NP | C51 | C52 | 22.2° | 104.1° |
| C49 | NP | C51 | HNP | 180.0° | 180.0° |
| C49 | NP | C51 | H6E | 142.8° | 135.3° |
| C49 | NP | C51 | H6X | 98.3° | 18.0° |
| O49 | C49 | NP | C51 | 0.0° | 0.0° |
| O49 | C49 | NP | HNP | 180.0° | 180.0° |
| C6 | C5 | H5E | H5X | 118.0° | 117.3° |
| C5 | C6 | C7 | NC | 123.3° | 133.2° |
| C5 | C6 | C7 | H6 | 114.6° | 114.3° |
| C5 | C6 | NC | H6 | 128.0° | 113.7° |
| C5 | C6 | C7 | NE | 53.8° | 17.8° |
| C5 | C6 | C7 | NG | 121.5° | 164.3° |
| C5 | C6 | NC | HNC | 139.4° | 71.6° |
| C5 | C6 | NC | CO | 107.1° | 170.8° |
| H5E | C5 | C6 | C7 | 52.6° | 70.5° |
| H5E | C5 | C6 | NC | 169.0° | 59.0° |
| H5E | C5 | C6 | H6 | 62.9° | 173.7° |
| H5X | C5 | C6 | C7 | 66.1° | 44.6° |
| H5X | C5 | C6 | NC | 50.3° | 174.1° |
| H5X | C5 | C6 | H6 | 178.4° | 71.1° |
| C52 | C51 | NP | H6E | 120.6° | 120.6° |
| C52 | C51 | NP | H6X | 120.6° | 122.1° |
| C52 | C51 | H6E | H6X | 118.2° | 119.0° |
| C51 | C52 | C53 | H7E | 121.4° | 122.5° |
| C51 | C52 | C53 | H7X | 121.4° | 122.8° |
| C51 | C52 | H7E | H7X | 115.6° | 115.9° |
| C51 | C52 | C53 | NQ | 167.5° | 136.4° |
| C51 | C52 | C53 | H8E | 46.8° | 14.6° |
| C51 | C52 | C53 | H8X | 71.8° | 102.3° |
| C52 | C51 | NP | HNP | 157.7° | 75.9° |
| NP | C51 | H6E | H6X | 118.2° | 118.6° |
| NP | C51 | C52 | C53 | 172.4° | 84.3° |
| NP | C51 | C52 | H7E | 51.0° | 153.2° |
| NP | C51 | C52 | H7X | 66.3° | 38.7° |
| H6E | C51 | C52 | C53 | 51.8° | 155.3° |
| H6E | C51 | C52 | H7E | 69.6° | 32.8° |
| H6E | C51 | C52 | H7X | 173.2° | 81.7° |
| H6E | C51 | NP | HNP | 37.2° | 44.7° |
| H6X | C51 | C52 | C53 | 67.1° | 37.8° |
| H6X | C51 | C52 | H7E | 171.6° | 84.8° |
| H6X | C51 | C52 | H7X | 54.3° | 160.7° |
| H6X | C51 | NP | HNP | 81.7° | 162.0° |
| C53 | C52 | H7E | H7X | 115.6° | 116.3° |
| C52 | C53 | NQ | H8E | 120.7° | 121.7° |
| C52 | C53 | NQ | H8X | 120.7° | 121.0° |
| C52 | C53 | H8E | H8X | 117.7° | 117.8° |
| C52 | C53 | NQ | C54 | 131.0° | 175.2° |
| C52 | C53 | NQ | HNQ | 8.2° | 59.6° |
| H7E | C52 | C53 | NQ | 71.1° | 101.1° |
| H7E | C52 | C53 | H8E | 168.1° | 137.1° |
| H7E | C52 | C53 | H8X | 49.6° | 20.2° |
| H7X | C52 | C53 | NQ | 46.1° | 13.6° |
| H7X | C52 | C53 | H8E | 74.6° | 108.2° |
| H7X | C52 | C53 | H8X | 166.9° | 134.9° |
| NQ | C53 | H8E | H8X | 117.7° | 118.5° |
| C53 | NQ | C54 | C56 | 151.3° | 109.7° |
| C53 | NQ | C54 | CE | 80.5° | 125.0° |
| C53 | NQ | C54 | HNQ | 122.8° | 123.8° |
| C53 | NQ | C54 | H54 | 33.9° | 10.5° |
| H8E | C53 | NQ | C54 | 108.3° | 53.4° |
| H8E | C53 | NQ | HNQ | 128.9° | 178.7° |
| H8X | C53 | NQ | C54 | 10.3° | 63.8° |
| H8X | C53 | NQ | HNQ | 112.5° | 61.4° |
| C56 | C54 | CE | NQ | 126.4° | 128.3° |
| C56 | C54 | CE | H54 | 118.5° | 116.4° |
| C56 | C54 | NQ | H54 | 117.4° | 120.1° |
| C54 | C56 | C57 | C61 | 179.4° | 179.1° |
| C54 | C56 | C57 | C58 | 179.3° | 179.8° |
| C54 | C56 | C57 | H57 | 0.7° | 0.9° |
| C54 | C56 | C61 | C60 | 179.4° | 179.7° |
| C54 | C56 | C61 | H61 | 0.6° | 0.6° |
| C56 | C54 | CE | HEA | 180.0° | 68.0° |
| C56 | C54 | CE | HEB | 60.0° | 172.0° |
| C56 | C54 | CE | HEC | 60.0° | 52.0° |
| C56 | C54 | NQ | HNQ | 85.9° | 14.1° |
| CE | C54 | NQ | H54 | 114.5° | 114.5° |
| CE | C54 | C56 | C57 | 20.5° | 74.8° |
| CE | C54 | C56 | C61 | 158.8° | 104.3° |
| C54 | CE | HEA | HEB | 120.0° | 120.1° |
| C54 | CE | HEA | HEC | 120.0° | 120.1° |
| C54 | CE | HEB | HEC | 120.0° | 120.1° |
| CE | C54 | NQ | HNQ | 42.2° | 111.2° |
| NQ | C54 | C56 | C57 | 102.8° | 48.9° |
| NQ | C54 | C56 | C61 | 77.9° | 132.0° |
| NQ | C54 | CE | HEA | 53.6° | 60.3° |
| NQ | C54 | CE | HEB | 66.4° | 59.7° |
| NQ | C54 | CE | HEC | 173.6° | 179.7° |
| H54 | C54 | C56 | C57 | 139.2° | 169.3° |
| H54 | C54 | C56 | C61 | 40.1° | 11.6° |
| H54 | C54 | CE | HEA | 61.5° | 175.6° |
| H54 | C54 | CE | HEB | 178.5° | 55.6° |
| H54 | C54 | CE | HEC | 58.5° | 64.4° |
| H54 | C54 | NQ | HNQ | 156.7° | 134.2° |
| C56 | C57 | C58 | H57 | 180.0° | 179.3° |
| C56 | C57 | C58 | C59 | 0.1° | 0.5° |
| C56 | C57 | C58 | H58 | 179.9° | 179.6° |
| C57 | C56 | C61 | C60 | 0.0° | 0.6° |
| C57 | C56 | C61 | H61 | 180.0° | 179.6° |
| C61 | C56 | C57 | C58 | 0.0° | 0.8° |
| C61 | C56 | C57 | H57 | 179.9° | 180.0° |
| C56 | C61 | C60 | C59 | 0.0° | 0.2° |
| C56 | C61 | C60 | H61 | 180.0° | 179.7° |
| C56 | C61 | C60 | H60 | 179.9° | 179.7° |
| C57 | C58 | C59 | H58 | 180.0° | 179.9° |
| C57 | C58 | C59 | C60 | 0.1° | 0.1° |
| C57 | C58 | C59 | H59 | 179.9° | 179.8° |
| H57 | C57 | C58 | C59 | 179.9° | 179.8° |
| H57 | C57 | C58 | H58 | 0.1° | 0.3° |
| C58 | C59 | C60 | H59 | 180.0° | 179.9° |
| C58 | C59 | C60 | C61 | 0.0° | 0.1° |
| C58 | C59 | C60 | H60 | 180.0° | 180.0° |
| H58 | C58 | C59 | C60 | 180.0° | 179.9° |
| H58 | C58 | C59 | H59 | 0.0° | 0.0° |
| C59 | C60 | C61 | H60 | 180.0° | 179.9° |
| C59 | C60 | C61 | H61 | 180.0° | 179.9° |
| H59 | C59 | C60 | C61 | 180.0° | 180.0° |
| H59 | C59 | C60 | H60 | 0.0° | 0.1° |
| C7 | C6 | NC | H6 | 122.6° | 113.0° |
| C6 | C7 | NE | NG | 175.2° | 177.7° |
| C6 | C7 | NE | C8 | 176.9° | 178.5° |
| C7 | C6 | NC | HNC | 111.1° | 155.1° |
| C6 | C7 | NG | CO | 0.3° | 8.3° |
| C7 | C6 | NC | CO | 2.4° | 37.5° |
| NC | C6 | C7 | NE | 177.1° | 151.1° |
| NC | C6 | C7 | NG | 1.8° | 31.1° |
| C6 | NC | HNC | CO | 118.6° | 115.3° |
| C6 | NC | CO | NG | 1.8° | 27.2° |
| C6 | NC | CO | O1P | 86.7° | 54.1° |
| C6 | NC | CO | NB | 90.2° | 125.3° |
| C6 | NC | CO | NH | 3.9° | 52.7° |
| C6 | NC | CO | NJ | 179.5° | 144.6° |
| H6 | C6 | C7 | NE | 60.8° | 96.5° |
| H6 | C6 | C7 | NG | 123.9° | 81.4° |
| H6 | C6 | NC | HNC | 11.5° | 42.2° |
| H6 | C6 | NC | CO | 125.0° | 75.5° |
| H60 | C60 | C61 | H61 | 0.1° | 0.1° |
| C7 | NE | C8 | C9 | 0.9° | 0.3° |
| C7 | NE | C8 | NF | 176.8° | 178.8° |
| NE | C7 | NG | CO | 175.7° | 173.8° |
| NG | C7 | NE | C8 | 1.7° | 0.8° |
| C7 | NG | CO | O1P | 96.0° | 88.6° |
| C7 | NG | CO | NB | 80.3° | 98.9° |
| C7 | NG | CO | NC | 0.9° | 11.2° |
| C7 | NG | CO | NH | 177.3° | 177.0° |
| C7 | NG | CO | NJ | 167.2° | 99.4° |
| C9 | C8 | NE | NF | 177.6° | 179.1° |
| C8 | C9 | CA | HAA | 88.2° | 28.1° |
| C8 | C9 | CA | HAB | 31.8° | 147.1° |
| C8 | C9 | CA | HAC | 151.8° | 92.5° |
| C9 | C8 | NF | HF1 | 177.6° | 176.1° |
| C9 | C8 | NF | HF2 | 57.6° | 6.8° |
| NE | C8 | C9 | CA | 174.5° | 179.9° |
| NE | C8 | NF | HF1 | 0.0° | 4.8° |
| NE | C8 | NF | HF2 | 120.0° | 172.3° |
| NF | C8 | C9 | CA | 8.0° | 1.1° |
| C8 | NF | HF1 | HF2 | 120.0° | 177.3° |
| C9 | CA | HAA | HAB | 120.0° | 120.2° |
| C9 | CA | HAA | HAC | 120.0° | 120.7° |
| C9 | CA | HAB | HAC | 120.0° | 120.5° |
| HAA | CA | HAB | HAC | 120.0° | 119.2° |
| HBA | CB | HBB | HBC | 120.0° | 119.6° |
| HCA | CC | HCB | HCC | 120.0° | 119.8° |
| HDA | CD | HDB | HDC | 120.0° | 119.7° |
| HEA | CE | HEB | HEC | 119.9° | 119.9° |
| HB1 | NB | HB2 | CO | 119.3° | 123.1° |
| HB1 | NB | CO | NG | 3.6° | 58.2° |
| HB1 | NB | CO | O1P | 49.3° | 35.0° |
| HB1 | NB | CO | NC | 85.8° | 140.3° |
| HB1 | NB | CO | NH | 76.1° | 21.4° |
| HB1 | NB | CO | NJ | 167.5° | 119.1° |
| HB2 | NB | CO | NG | 123.2° | 176.8° |
| HB2 | NB | CO | O1P | 168.8° | 83.6° |
| HB2 | NB | CO | NC | 154.6° | 101.2° |
| HB2 | NB | CO | NH | 43.5° | 97.2° |
| HB2 | NB | CO | NJ | 48.0° | 0.5° |
| HNC | NC | CO | NG | 114.5° | 143.1° |
| HNC | NC | CO | O1P | 29.6° | 61.8° |
| HNC | NC | CO | NB | 153.5° | 118.8° |
| HNC | NC | CO | NH | 120.2° | 168.5° |
| HNC | NC | CO | NJ | 63.2° | 28.7° |
| NG | CO | O1P | O2P | 38.9° | 126.1° |
| NG | CO | O1P | NB | 45.8° | 94.2° |
| NG | CO | O1P | NC | 82.0° | 81.0° |
| NG | CO | O1P | NH | 79.9° | 80.6° |
| NG | CO | O1P | NJ | 170.9° | 178.4° |
| NG | CO | NB | NC | 82.2° | 82.0° |
| NG | CO | NB | NH | 79.7° | 79.6° |
| NG | CO | NB | NJ | 171.1° | 177.3° |
| NG | CO | NC | NH | 5.7° | 25.5° |
| NG | CO | NC | NJ | 177.6° | 171.8° |
| NG | CO | NH | NJ | 177.4° | 171.5° |
| O2P | O1P | CO | NB | 84.7° | 139.7° |
| O2P | O1P | CO | NC | 120.9° | 45.1° |
| O2P | O1P | CO | NH | 41.1° | 153.3° |
| O2P | O1P | CO | NJ | 132.1° | 55.5° |
| CO | O1P | O2P | H2P | 180.0° | 119.8° |
| O1P | CO | NB | NC | 36.6° | 175.2° |
| O1P | CO | NB | NH | 125.4° | 13.6° |
| O1P | CO | NB | NJ | 143.2° | 84.1° |
| O1P | CO | NC | NH | 90.6° | 106.8° |
| O1P | CO | NC | NJ | 92.8° | 90.5° |
| O1P | CO | NH | NJ | 91.3° | 88.5° |
| NB | CO | NC | NH | 86.3° | 72.6° |
| NB | CO | NC | NJ | 90.3° | 90.2° |
| NB | CO | NH | NJ | 92.9° | 89.8° |
| NC | CO | NH | NJ | 176.8° | 162.9° |
