LVQ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O26 | S3 | doub | 1.46Å | 1.46Å | |
| S3 | O25 | doub | 1.47Å | 1.47Å | |
| S3 | O24 | sing | 1.45Å | 1.45Å | |
| S3 | C26 | sing | 1.79Å | 1.79Å | |
| C26 | C27 | doub | 1.39Å | 1.39Å | Aromatic |
| C26 | C25 | sing | 1.41Å | 1.41Å | Aromatic |
| C27 | C22 | sing | 1.38Å | 1.38Å | Aromatic |
| C22 | C21 | sing | 1.56Å | 1.56Å | |
| C22 | C23 | doub | 1.44Å | 1.44Å | Aromatic |
| C21 | C34 | sing | 1.57Å | 1.57Å | |
| C23 | O21 | sing | 1.40Å | 1.40Å | |
| C23 | C24 | sing | 1.44Å | 1.44Å | Aromatic |
| O21 | C28 | sing | 1.45Å | 1.45Å | |
| O21 | NA | sing | 2.35Å | 2.35Å | |
| C28 | C29 | sing | 1.49Å | 1.49Å | |
| C29 | O22 | doub | 1.25Å | 1.25Å | |
| C29 | O23 | sing | 1.25Å | 1.25Å | |
| NA | O32 | sing | 2.32Å | 2.32Å | |
| NA | O12 | sing | 2.32Å | 2.32Å | |
| NA | O01 | sing | 2.33Å | 2.33Å | |
| NA | O31 | sing | 2.32Å | 2.32Å | |
| NA | O11 | sing | 2.30Å | 2.30Å | |
| O32 | C39 | doub | 1.26Å | 1.26Å | |
| C39 | O33 | sing | 1.29Å | 1.29Å | |
| C39 | C38 | sing | 1.56Å | 1.56Å | |
| O33 | AS | sing | 1.98Å | 1.98Å | |
| AS | C2 | sing | 1.97Å | 1.97Å | |
| AS | C1 | sing | 1.96Å | 1.96Å | |
| AS | O1 | sing | 1.75Å | 1.75Å | |
| C38 | O31 | sing | 1.47Å | 1.47Å | |
| O12 | C19 | sing | 1.26Å | 1.26Å | |
| C19 | O13 | doub | 1.27Å | 1.27Å | |
| C19 | C18 | sing | 1.52Å | 1.52Å | |
| C18 | O11 | sing | 1.45Å | 1.45Å | |
| O01 | C08 | sing | 1.45Å | 1.45Å | |
| O01 | C03 | sing | 1.43Å | 1.43Å | |
| C08 | C09 | sing | 1.51Å | 1.51Å | |
| C09 | O02 | doub | 1.27Å | 1.27Å | |
| C09 | O03 | sing | 1.26Å | 1.26Å | |
| C03 | C04 | doub | 1.41Å | 1.41Å | Aromatic |
| C03 | C02 | sing | 1.44Å | 1.44Å | Aromatic |
| C04 | C31 | sing | 1.55Å | 1.55Å | |
| C04 | C05 | sing | 1.40Å | 1.40Å | Aromatic |
| C31 | C32 | sing | 1.55Å | 1.55Å | |
| O31 | C33 | sing | 1.38Å | 1.38Å | |
| C33 | C32 | doub | 1.41Å | 1.41Å | Aromatic |
| C33 | C34 | sing | 1.40Å | 1.40Å | Aromatic |
| C32 | C37 | sing | 1.41Å | 1.41Å | Aromatic |
| C37 | C36 | doub | 1.41Å | 1.41Å | Aromatic |
| C34 | C35 | doub | 1.41Å | 1.41Å | Aromatic |
| C35 | C36 | sing | 1.41Å | 1.41Å | Aromatic |
| C36 | S4 | sing | 1.84Å | 1.84Å | |
| S4 | O35 | doub | 1.47Å | 1.47Å | |
| S4 | O34 | doub | 1.45Å | 1.45Å | |
| S4 | O36 | sing | 1.46Å | 1.46Å | |
| C25 | C24 | doub | 1.40Å | 1.40Å | Aromatic |
| C24 | C11 | sing | 1.58Å | 1.58Å | |
| C11 | C12 | sing | 1.56Å | 1.56Å | |
| C12 | C13 | doub | 1.42Å | 1.42Å | Aromatic |
| C12 | C17 | sing | 1.40Å | 1.40Å | Aromatic |
| C13 | O11 | sing | 1.37Å | 1.37Å | |
| C13 | C14 | sing | 1.44Å | 1.44Å | Aromatic |
| C17 | C16 | doub | 1.41Å | 1.41Å | Aromatic |
| C16 | S2 | sing | 1.77Å | 1.77Å | |
| C16 | C15 | sing | 1.40Å | 1.40Å | Aromatic |
| S2 | O14 | doub | 1.46Å | 1.46Å | |
| S2 | O15 | doub | 1.43Å | 1.43Å | |
| S2 | O16 | sing | 1.46Å | 1.46Å | |
| C15 | C14 | doub | 1.39Å | 1.39Å | Aromatic |
| C14 | C01 | sing | 1.57Å | 1.57Å | |
| C01 | C02 | sing | 1.55Å | 1.55Å | |
| C02 | C07 | doub | 1.41Å | 1.41Å | Aromatic |
| C07 | C06 | sing | 1.40Å | 1.40Å | Aromatic |
| C06 | C05 | doub | 1.40Å | 1.40Å | Aromatic |
| C06 | S1 | sing | 1.79Å | 1.79Å | |
| S1 | O06 | doub | 1.44Å | 1.44Å | |
| S1 | O05 | doub | 1.45Å | 1.45Å | |
| S1 | O04 | sing | 1.46Å | 1.46Å | |
| C27 | H1 | sing | 1.08Å | 1.08Å | |
| C21 | H2 | sing | 1.10Å | 1.10Å | |
| C21 | H3 | sing | 1.10Å | 1.10Å | |
| C28 | H4 | sing | 1.10Å | 1.10Å | |
| C28 | H5 | sing | 1.10Å | 1.10Å | |
| O23 | H6 | sing | 0.95Å | 0.95Å | |
| C2 | H8 | sing | 1.10Å | 1.10Å | |
| C2 | H9 | sing | 1.10Å | 1.10Å | |
| C2 | H10 | sing | 1.10Å | 1.10Å | |
| C1 | H11 | sing | 1.10Å | 1.10Å | |
| C1 | H12 | sing | 1.10Å | 1.10Å | |
| C1 | H13 | sing | 1.10Å | 1.10Å | |
| O1 | H14 | sing | 0.95Å | 0.95Å | |
| C38 | H15 | sing | 1.10Å | 1.10Å | |
| C38 | H16 | sing | 1.10Å | 1.10Å | |
| C18 | H17 | sing | 1.10Å | 1.10Å | |
| C18 | H18 | sing | 1.10Å | 1.10Å | |
| C08 | H19 | sing | 1.10Å | 1.10Å | |
| C08 | H20 | sing | 1.10Å | 1.10Å | |
| O03 | H21 | sing | 0.95Å | 0.95Å | |
| C31 | H22 | sing | 1.10Å | 1.10Å | |
| C31 | H23 | sing | 1.10Å | 1.10Å | |
| C37 | H24 | sing | 1.08Å | 1.08Å | |
| C35 | H25 | sing | 1.08Å | 1.08Å | |
| C25 | H26 | sing | 1.08Å | 1.08Å | |
| C11 | H27 | sing | 1.10Å | 1.10Å | |
| C11 | H28 | sing | 1.10Å | 1.10Å | |
| C17 | H29 | sing | 1.08Å | 1.08Å | |
| C15 | H30 | sing | 1.08Å | 1.08Å | |
| C01 | H31 | sing | 1.10Å | 1.10Å | |
| C01 | H32 | sing | 1.10Å | 1.10Å | |
| C07 | H33 | sing | 1.08Å | 1.08Å | |
| C05 | H34 | sing | 1.08Å | 1.08Å | |
| O24 | H35 | sing | 0.95Å | 0.95Å | |
| O36 | H37 | sing | 0.95Å | 0.95Å | |
| O16 | H38 | sing | 0.95Å | 0.95Å | |
| O04 | H39 | sing | 0.95Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O26 | S3 | O25 | 105.4° | 105.4° |
| O26 | S3 | O24 | 112.2° | 112.2° |
| O26 | S3 | C26 | 115.8° | 115.8° |
| O25 | S3 | O24 | 110.4° | 110.4° |
| O25 | S3 | C26 | 109.6° | 109.6° |
| O24 | S3 | C26 | 103.5° | 103.5° |
| S3 | O24 | H35 | 109.5° | 109.5° |
| S3 | C26 | C27 | 118.8° | 118.8° |
| S3 | C26 | C25 | 120.3° | 120.3° |
| C27 | C26 | C25 | 120.9° | 120.9° |
| C26 | C27 | C22 | 121.3° | 121.3° |
| C26 | C27 | H1 | 119.4° | 119.4° |
| C26 | C25 | C24 | 122.2° | 122.2° |
| C26 | C25 | H26 | 118.9° | 118.9° |
| C27 | C22 | C21 | 115.4° | 115.4° |
| C27 | C22 | C23 | 116.6° | 116.6° |
| C22 | C27 | H1 | 119.3° | 119.3° |
| C21 | C22 | C23 | 127.9° | 127.9° |
| C22 | C21 | C34 | 103.8° | 103.8° |
| C22 | C21 | H2 | 110.9° | 110.9° |
| C22 | C21 | H3 | 110.8° | 110.8° |
| C22 | C23 | O21 | 118.1° | 118.1° |
| C22 | C23 | C24 | 124.6° | 124.6° |
| C21 | C34 | C33 | 121.8° | 121.8° |
| C21 | C34 | C35 | 121.9° | 121.9° |
| C34 | C21 | H2 | 110.9° | 110.9° |
| C34 | C21 | H3 | 110.9° | 110.9° |
| O21 | C23 | C24 | 117.3° | 117.3° |
| C23 | O21 | C28 | 111.8° | 111.8° |
| C23 | O21 | NA | 115.2° | 115.2° |
| C23 | C24 | C25 | 114.4° | 114.4° |
| C23 | C24 | C11 | 127.4° | 127.4° |
| C28 | O21 | NA | 133.0° | 133.0° |
| O21 | C28 | C29 | 103.4° | 103.4° |
| O21 | C28 | H4 | 111.0° | 111.0° |
| O21 | C28 | H5 | 111.0° | 111.0° |
| O21 | NA | O32 | 128.4° | 128.4° |
| O21 | NA | O12 | 102.5° | 102.5° |
| O21 | NA | O01 | 155.0° | 155.0° |
| O21 | NA | O31 | 89.4° | 89.4° |
| O21 | NA | O11 | 82.2° | 82.2° |
| C28 | C29 | O22 | 120.9° | 120.9° |
| C28 | C29 | O23 | 113.6° | 113.6° |
| C29 | C28 | H4 | 110.9° | 110.9° |
| C29 | C28 | H5 | 111.0° | 111.0° |
| O22 | C29 | O23 | 125.5° | 125.5° |
| C29 | O23 | H6 | 109.5° | 109.5° |
| O32 | NA | O12 | 81.3° | 81.3° |
| O32 | NA | O01 | 70.6° | 70.6° |
| O32 | NA | O31 | 67.8° | 67.8° |
| O32 | NA | O11 | 142.1° | 142.1° |
| NA | O32 | C39 | 121.1° | 121.1° |
| O12 | NA | O01 | 96.0° | 96.0° |
| O12 | NA | O31 | 147.3° | 147.3° |
| O12 | NA | O11 | 69.2° | 69.2° |
| NA | O12 | C19 | 121.8° | 121.8° |
| O01 | NA | O31 | 83.9° | 83.9° |
| O01 | NA | O11 | 88.9° | 88.9° |
| NA | O01 | C08 | 120.1° | 120.1° |
| NA | O01 | C03 | 120.7° | 120.7° |
| O31 | NA | O11 | 143.2° | 143.2° |
| NA | O31 | C38 | 118.2° | 118.2° |
| NA | O31 | C33 | 128.7° | 128.7° |
| NA | O11 | C18 | 120.0° | 120.0° |
| NA | O11 | C13 | 133.8° | 133.8° |
| O32 | C39 | O33 | 120.6° | 120.6° |
| O32 | C39 | C38 | 116.1° | 116.1° |
| O33 | C39 | C38 | 123.3° | 123.3° |
| C39 | O33 | AS | 124.0° | 124.0° |
| C39 | C38 | O31 | 108.3° | 108.3° |
| C39 | C38 | H15 | 109.8° | 109.8° |
| C39 | C38 | H16 | 109.7° | 109.7° |
| O33 | AS | C2 | 109.8° | 109.8° |
| O33 | AS | C1 | 112.2° | 112.2° |
| O33 | AS | O1 | 111.4° | 111.4° |
| C2 | AS | C1 | 108.6° | 108.6° |
| C2 | AS | O1 | 109.7° | 109.7° |
| AS | C2 | H8 | 109.5° | 109.5° |
| AS | C2 | H9 | 109.5° | 109.5° |
| AS | C2 | H10 | 109.5° | 109.5° |
| C1 | AS | O1 | 105.0° | 105.0° |
| AS | C1 | H11 | 109.5° | 109.5° |
| AS | C1 | H12 | 109.5° | 109.5° |
| AS | C1 | H13 | 109.5° | 109.5° |
| AS | O1 | H14 | 109.5° | 109.5° |
| C38 | O31 | C33 | 112.9° | 112.9° |
| O31 | C38 | H15 | 109.7° | 109.7° |
| O31 | C38 | H16 | 109.8° | 109.8° |
| O12 | C19 | O13 | 122.3° | 122.3° |
| O12 | C19 | C18 | 118.9° | 118.9° |
| O13 | C19 | C18 | 118.7° | 118.7° |
| C19 | C18 | O11 | 109.6° | 109.6° |
| C19 | C18 | H17 | 109.5° | 109.5° |
| C19 | C18 | H18 | 109.4° | 109.4° |
| C18 | O11 | C13 | 103.8° | 103.8° |
| O11 | C18 | H17 | 109.4° | 109.4° |
| O11 | C18 | H18 | 109.4° | 109.4° |
| C08 | O01 | C03 | 119.1° | 119.1° |
| O01 | C08 | C09 | 121.3° | 121.3° |
| O01 | C08 | H19 | 106.4° | 106.4° |
| O01 | C08 | H20 | 106.4° | 106.4° |
| O01 | C03 | C04 | 118.6° | 118.6° |
| O01 | C03 | C02 | 120.1° | 120.1° |
| C08 | C09 | O02 | 117.0° | 117.0° |
| C08 | C09 | O03 | 117.9° | 117.9° |
| C09 | C08 | H19 | 106.4° | 106.4° |
| C09 | C08 | H20 | 106.4° | 106.4° |
| O02 | C09 | O03 | 125.1° | 125.1° |
| C09 | O03 | H21 | 109.5° | 109.5° |
| C04 | C03 | C02 | 121.2° | 121.2° |
| C03 | C04 | C31 | 125.6° | 125.6° |
| C03 | C04 | C05 | 116.9° | 116.9° |
| C03 | C02 | C01 | 124.4° | 124.4° |
| C03 | C02 | C07 | 118.3° | 118.3° |
| C31 | C04 | C05 | 117.4° | 117.4° |
| C04 | C31 | C32 | 102.9° | 102.9° |
| C04 | C31 | H22 | 111.1° | 111.1° |
| C04 | C31 | H23 | 111.1° | 111.1° |
| C04 | C05 | C06 | 124.0° | 124.0° |
| C04 | C05 | H34 | 118.0° | 118.0° |
| C31 | C32 | C33 | 122.0° | 122.0° |
| C31 | C32 | C37 | 120.1° | 120.1° |
| C32 | C31 | H22 | 111.1° | 111.1° |
| C32 | C31 | H23 | 111.1° | 111.1° |
| O31 | C33 | C32 | 117.3° | 117.3° |
| O31 | C33 | C34 | 118.9° | 118.9° |
| C32 | C33 | C34 | 122.8° | 122.8° |
| C33 | C32 | C37 | 117.8° | 117.8° |
| C33 | C34 | C35 | 116.1° | 116.1° |
| C32 | C37 | C36 | 122.6° | 122.6° |
| C32 | C37 | H24 | 118.7° | 118.7° |
| C37 | C36 | C35 | 115.9° | 115.9° |
| C37 | C36 | S4 | 120.7° | 120.7° |
| C36 | C37 | H24 | 118.7° | 118.7° |
| C34 | C35 | C36 | 124.7° | 124.7° |
| C34 | C35 | H25 | 117.6° | 117.6° |
| C35 | C36 | S4 | 123.4° | 123.4° |
| C36 | C35 | H25 | 117.7° | 117.7° |
| C36 | S4 | O35 | 112.2° | 112.2° |
| C36 | S4 | O34 | 106.7° | 106.7° |
| C36 | S4 | O36 | 112.8° | 112.8° |
| O35 | S4 | O34 | 117.0° | 117.0° |
| O35 | S4 | O36 | 104.1° | 104.1° |
| O34 | S4 | O36 | 103.9° | 103.9° |
| S4 | O36 | H37 | 109.5° | 109.5° |
| C25 | C24 | C11 | 118.0° | 118.0° |
| C24 | C25 | H26 | 118.9° | 118.9° |
| C24 | C11 | C12 | 102.5° | 102.5° |
| C24 | C11 | H27 | 111.2° | 111.2° |
| C24 | C11 | H28 | 111.2° | 111.2° |
| C11 | C12 | C13 | 122.3° | 122.3° |
| C11 | C12 | C17 | 122.5° | 122.5° |
| C12 | C11 | H27 | 111.2° | 111.2° |
| C12 | C11 | H28 | 111.2° | 111.2° |
| C13 | C12 | C17 | 114.9° | 114.9° |
| C12 | C13 | O11 | 111.5° | 111.5° |
| C12 | C13 | C14 | 126.4° | 126.4° |
| C12 | C17 | C16 | 120.2° | 120.2° |
| C12 | C17 | H29 | 119.9° | 119.9° |
| O11 | C13 | C14 | 120.6° | 120.6° |
| C13 | C14 | C15 | 114.6° | 114.6° |
| C13 | C14 | C01 | 126.5° | 126.5° |
| C17 | C16 | S2 | 120.0° | 120.0° |
| C17 | C16 | C15 | 122.3° | 122.3° |
| C16 | C17 | H29 | 119.9° | 119.9° |
| S2 | C16 | C15 | 117.7° | 117.7° |
| C16 | S2 | O14 | 109.3° | 109.3° |
| C16 | S2 | O15 | 110.1° | 110.1° |
| C16 | S2 | O16 | 105.6° | 105.6° |
| C16 | C15 | C14 | 121.4° | 121.4° |
| C16 | C15 | H30 | 119.3° | 119.3° |
| O14 | S2 | O15 | 109.5° | 109.5° |
| O14 | S2 | O16 | 108.5° | 108.5° |
| O15 | S2 | O16 | 113.7° | 113.7° |
| S2 | O16 | H38 | 109.5° | 109.5° |
| C15 | C14 | C01 | 118.8° | 118.8° |
| C14 | C15 | H30 | 119.3° | 119.3° |
| C14 | C01 | C02 | 107.8° | 107.8° |
| C14 | C01 | H31 | 109.9° | 109.9° |
| C14 | C01 | H32 | 109.9° | 109.9° |
| C01 | C02 | C07 | 117.2° | 117.2° |
| C02 | C01 | H31 | 109.9° | 109.9° |
| C02 | C01 | H32 | 109.9° | 109.9° |
| C02 | C07 | C06 | 121.8° | 121.8° |
| C02 | C07 | H33 | 119.1° | 119.1° |
| C07 | C06 | C05 | 117.8° | 117.8° |
| C07 | C06 | S1 | 122.4° | 122.4° |
| C06 | C07 | H33 | 119.1° | 119.1° |
| C05 | C06 | S1 | 119.8° | 119.8° |
| C06 | C05 | H34 | 118.0° | 118.0° |
| C06 | S1 | O06 | 113.4° | 113.4° |
| C06 | S1 | O05 | 110.6° | 110.6° |
| C06 | S1 | O04 | 110.7° | 110.7° |
| O06 | S1 | O05 | 108.5° | 108.5° |
| O06 | S1 | O04 | 108.9° | 108.9° |
| O05 | S1 | O04 | 104.4° | 104.4° |
| S1 | O04 | H39 | 109.5° | 109.5° |
| H2 | C21 | H3 | 109.5° | 109.5° |
| H4 | C28 | H5 | 109.5° | 109.5° |
| H8 | C2 | H9 | 109.5° | 109.5° |
| H8 | C2 | H10 | 109.5° | 109.5° |
| H9 | C2 | H10 | 109.5° | 109.5° |
| H11 | C1 | H12 | 109.4° | 109.4° |
| H11 | C1 | H13 | 109.5° | 109.5° |
| H12 | C1 | H13 | 109.4° | 109.4° |
| H15 | C38 | H16 | 109.5° | 109.5° |
| H17 | C18 | H18 | 109.5° | 109.5° |
| H19 | C08 | H20 | 109.5° | 109.5° |
| H22 | C31 | H23 | 109.5° | 109.5° |
| H27 | C11 | H28 | 109.5° | 109.5° |
| H31 | C01 | H32 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O26 | S3 | O25 | O24 | 121.4° | 121.4° |
| O26 | S3 | O25 | C26 | 125.2° | 125.2° |
| O26 | S3 | O24 | C26 | 125.5° | 125.5° |
| O26 | S3 | C26 | C27 | 46.0° | 46.0° |
| O26 | S3 | C26 | C25 | 136.3° | 136.3° |
| O26 | S3 | O24 | H35 | 117.3° | 117.3° |
| O25 | S3 | O24 | C26 | 117.2° | 117.2° |
| O25 | S3 | C26 | C27 | 165.0° | 165.0° |
| O25 | S3 | C26 | C25 | 17.3° | 17.3° |
| O25 | S3 | O24 | H35 | 0.0° | 0.0° |
| O24 | S3 | C26 | C27 | 77.3° | 77.3° |
| O24 | S3 | C26 | C25 | 100.5° | 100.5° |
| S3 | C26 | C27 | C25 | 177.7° | 177.7° |
| S3 | C26 | C27 | C22 | 178.9° | 178.9° |
| S3 | C26 | C25 | C24 | 177.7° | 177.7° |
| S3 | C26 | C27 | H1 | 1.1° | 1.1° |
| S3 | C26 | C25 | H26 | 2.3° | 2.3° |
| C26 | S3 | O24 | H35 | 117.2° | 117.2° |
| C26 | C27 | C22 | H1 | 180.0° | 180.0° |
| C26 | C27 | C22 | C21 | 175.9° | 175.9° |
| C26 | C27 | C22 | C23 | 0.7° | 0.7° |
| C27 | C26 | C25 | C24 | 0.1° | 0.1° |
| C27 | C26 | C25 | H26 | 179.9° | 179.9° |
| C25 | C26 | C27 | C22 | 1.2° | 1.2° |
| C26 | C25 | C24 | C23 | 1.4° | 1.4° |
| C26 | C25 | C24 | H26 | 180.0° | 180.0° |
| C26 | C25 | C24 | C11 | 177.2° | 177.2° |
| C25 | C26 | C27 | H1 | 178.8° | 178.8° |
| C27 | C22 | C21 | C23 | 176.1° | 176.1° |
| C27 | C22 | C21 | C34 | 73.0° | 73.0° |
| C27 | C22 | C23 | O21 | 177.7° | 177.7° |
| C27 | C22 | C23 | C24 | 0.9° | 0.9° |
| C27 | C22 | C21 | H2 | 46.1° | 46.1° |
| C27 | C22 | C21 | H3 | 167.9° | 167.9° |
| C22 | C21 | C34 | H2 | 119.1° | 119.1° |
| C22 | C21 | C34 | H3 | 119.1° | 119.1° |
| C21 | C22 | C23 | O21 | 6.3° | 6.3° |
| C21 | C22 | C23 | C24 | 177.0° | 177.0° |
| C22 | C21 | C34 | C33 | 86.4° | 86.4° |
| C22 | C21 | C34 | C35 | 88.9° | 88.9° |
| C21 | C22 | C27 | H1 | 4.1° | 4.1° |
| C22 | C21 | H2 | H3 | 122.6° | 122.6° |
| C23 | C22 | C21 | C34 | 103.1° | 103.1° |
| C22 | C23 | O21 | C24 | 177.0° | 177.0° |
| C22 | C23 | O21 | C28 | 92.2° | 92.2° |
| C22 | C23 | O21 | NA | 89.3° | 89.3° |
| C22 | C23 | C24 | C25 | 1.9° | 1.9° |
| C22 | C23 | C24 | C11 | 177.2° | 177.2° |
| C23 | C22 | C27 | H1 | 179.3° | 179.3° |
| C23 | C22 | C21 | H2 | 137.8° | 137.8° |
| C23 | C22 | C21 | H3 | 16.0° | 16.0° |
| C21 | C34 | C33 | O31 | 12.4° | 12.4° |
| C21 | C34 | C33 | C32 | 179.6° | 179.6° |
| C21 | C34 | C33 | C35 | 175.5° | 175.5° |
| C21 | C34 | C35 | C36 | 177.2° | 177.2° |
| C34 | C21 | H2 | H3 | 122.6° | 122.6° |
| C21 | C34 | C35 | H25 | 2.8° | 2.8° |
| C23 | O21 | C28 | NA | 178.2° | 178.2° |
| C23 | O21 | C28 | C29 | 156.0° | 156.0° |
| C23 | O21 | NA | O32 | 132.7° | 132.7° |
| C23 | O21 | NA | O12 | 138.6° | 138.6° |
| C23 | O21 | NA | O01 | 2.0° | 2.0° |
| C23 | O21 | NA | O31 | 72.1° | 72.1° |
| C23 | O21 | NA | O11 | 72.0° | 72.0° |
| O21 | C23 | C24 | C25 | 178.7° | 178.7° |
| O21 | C23 | C24 | C11 | 6.0° | 6.0° |
| C23 | O21 | C28 | H4 | 37.0° | 37.0° |
| C23 | O21 | C28 | H5 | 85.0° | 85.0° |
| C24 | C23 | O21 | C28 | 84.8° | 84.8° |
| C24 | C23 | O21 | NA | 93.8° | 93.8° |
| C23 | C24 | C25 | C11 | 175.8° | 175.8° |
| C23 | C24 | C11 | C12 | 103.3° | 103.3° |
| C23 | C24 | C25 | H26 | 178.6° | 178.6° |
| C23 | C24 | C11 | H27 | 15.6° | 15.6° |
| C23 | C24 | C11 | H28 | 137.8° | 137.8° |
| O21 | C28 | C29 | H4 | 119.0° | 119.0° |
| O21 | C28 | C29 | H5 | 119.0° | 119.0° |
| O21 | C28 | C29 | O22 | 176.2° | 176.2° |
| O21 | C28 | C29 | O23 | 3.0° | 3.0° |
| C28 | O21 | NA | O32 | 49.2° | 49.2° |
| C28 | O21 | NA | O12 | 39.5° | 39.5° |
| C28 | O21 | NA | O01 | 176.2° | 176.2° |
| C28 | O21 | NA | O31 | 109.8° | 109.8° |
| C28 | O21 | NA | O11 | 106.1° | 106.1° |
| O21 | C28 | H4 | H5 | 122.8° | 122.8° |
| NA | O21 | C28 | C29 | 25.9° | 25.9° |
| O21 | NA | O32 | O12 | 99.0° | 99.0° |
| O21 | NA | O32 | O01 | 161.4° | 161.4° |
| O21 | NA | O32 | O31 | 70.2° | 70.2° |
| O21 | NA | O32 | O11 | 137.6° | 137.6° |
| O21 | NA | O12 | O01 | 163.1° | 163.1° |
| O21 | NA | O12 | O31 | 108.9° | 108.9° |
| O21 | NA | O12 | O11 | 76.6° | 76.6° |
| O21 | NA | O01 | O31 | 75.2° | 75.2° |
| O21 | NA | O01 | O11 | 68.7° | 68.7° |
| O21 | NA | O31 | O11 | 76.1° | 76.1° |
| O21 | NA | O32 | C39 | 43.9° | 43.9° |
| O21 | NA | O31 | C38 | 109.3° | 109.3° |
| O21 | NA | O12 | C19 | 81.9° | 81.9° |
| O21 | NA | O11 | C18 | 112.4° | 112.4° |
| O21 | NA | O01 | C08 | 175.2° | 175.2° |
| O21 | NA | O01 | C03 | 2.1° | 2.1° |
| O21 | NA | O31 | C33 | 76.3° | 76.3° |
| O21 | NA | O11 | C13 | 88.6° | 88.6° |
| NA | O21 | C28 | H4 | 144.9° | 144.9° |
| NA | O21 | C28 | H5 | 93.1° | 93.1° |
| C28 | C29 | O22 | O23 | 179.1° | 179.1° |
| C29 | C28 | H4 | H5 | 122.8° | 122.8° |
| C28 | C29 | O23 | H6 | 179.1° | 179.1° |
| O22 | C29 | C28 | H4 | 57.2° | 57.2° |
| O22 | C29 | C28 | H5 | 64.8° | 64.8° |
| O22 | C29 | O23 | H6 | 0.0° | 0.0° |
| O23 | C29 | C28 | H4 | 122.0° | 122.0° |
| O23 | C29 | C28 | H5 | 116.0° | 116.0° |
| O32 | NA | O12 | O01 | 69.3° | 69.3° |
| O32 | NA | O12 | O31 | 18.7° | 18.7° |
| O32 | NA | O12 | O11 | 155.8° | 155.8° |
| O32 | NA | O01 | O31 | 68.6° | 68.6° |
| O32 | NA | O01 | O11 | 147.5° | 147.5° |
| O32 | NA | O31 | O11 | 151.4° | 151.4° |
| NA | O32 | C39 | O33 | 155.8° | 155.8° |
| NA | O32 | C39 | C38 | 24.6° | 24.6° |
| O32 | NA | O31 | C38 | 23.3° | 23.3° |
| O32 | NA | O12 | C19 | 150.5° | 150.5° |
| O32 | NA | O11 | C18 | 35.4° | 35.4° |
| O32 | NA | O01 | C08 | 41.0° | 41.0° |
| O32 | NA | O01 | C03 | 141.7° | 141.7° |
| O32 | NA | O31 | C33 | 151.1° | 151.1° |
| O32 | NA | O11 | C13 | 123.6° | 123.6° |
| O12 | NA | O01 | O31 | 147.1° | 147.1° |
| O12 | NA | O01 | O11 | 69.0° | 69.0° |
| O12 | NA | O31 | O11 | 171.4° | 171.4° |
| O12 | NA | O32 | C39 | 142.9° | 142.9° |
| O12 | NA | O31 | C38 | 3.2° | 3.2° |
| NA | O12 | C19 | O13 | 176.8° | 176.8° |
| NA | O12 | C19 | C18 | 4.1° | 4.1° |
| O12 | NA | O11 | C18 | 5.8° | 5.8° |
| O12 | NA | O01 | C08 | 37.6° | 37.6° |
| O12 | NA | O01 | C03 | 139.8° | 139.8° |
| O12 | NA | O31 | C33 | 171.1° | 171.1° |
| O12 | NA | O11 | C13 | 164.8° | 164.8° |
| O01 | NA | O31 | O11 | 79.8° | 79.8° |
| O01 | NA | O32 | C39 | 117.6° | 117.6° |
| O01 | NA | O31 | C38 | 94.8° | 94.8° |
| O01 | NA | O12 | C19 | 81.1° | 81.1° |
| O01 | NA | O11 | C18 | 91.0° | 91.0° |
| NA | O01 | C08 | C03 | 177.4° | 177.4° |
| NA | O01 | C08 | C09 | 174.3° | 174.3° |
| NA | O01 | C03 | C04 | 92.2° | 92.2° |
| NA | O01 | C03 | C02 | 92.1° | 92.1° |
| O01 | NA | O31 | C33 | 79.6° | 79.6° |
| O01 | NA | O11 | C13 | 68.0° | 68.0° |
| NA | O01 | C08 | H19 | 52.7° | 52.7° |
| NA | O01 | C08 | H20 | 64.0° | 64.0° |
| O31 | NA | O32 | C39 | 26.3° | 26.3° |
| NA | O31 | C38 | C39 | 19.8° | 19.8° |
| NA | O31 | C38 | C33 | 175.2° | 175.2° |
| O31 | NA | O12 | C19 | 169.1° | 169.1° |
| O31 | NA | O11 | C18 | 169.2° | 169.2° |
| O31 | NA | O01 | C08 | 109.6° | 109.6° |
| O31 | NA | O01 | C03 | 73.1° | 73.1° |
| NA | O31 | C33 | C32 | 98.7° | 98.7° |
| NA | O31 | C33 | C34 | 92.8° | 92.8° |
| O31 | NA | O11 | C13 | 10.2° | 10.2° |
| NA | O31 | C38 | H15 | 100.0° | 100.0° |
| NA | O31 | C38 | H16 | 139.6° | 139.6° |
| O11 | NA | O32 | C39 | 178.5° | 178.5° |
| O11 | NA | O31 | C38 | 174.6° | 174.6° |
| O11 | NA | O12 | C19 | 5.3° | 5.3° |
| NA | O11 | C18 | C19 | 5.9° | 5.9° |
| NA | O11 | C18 | C13 | 164.5° | 164.5° |
| O11 | NA | O01 | C08 | 106.5° | 106.5° |
| O11 | NA | O01 | C03 | 70.8° | 70.8° |
| O11 | NA | O31 | C33 | 0.2° | 0.2° |
| NA | O11 | C13 | C12 | 107.7° | 107.7° |
| NA | O11 | C13 | C14 | 85.3° | 85.3° |
| NA | O11 | C18 | H17 | 114.2° | 114.2° |
| NA | O11 | C18 | H18 | 125.9° | 125.9° |
| O32 | C39 | O33 | C38 | 179.6° | 179.6° |
| O32 | C39 | O33 | AS | 16.1° | 16.1° |
| O32 | C39 | C38 | O31 | 2.5° | 2.5° |
| O32 | C39 | C38 | H15 | 122.3° | 122.3° |
| O32 | C39 | C38 | H16 | 117.3° | 117.3° |
| C39 | O33 | AS | C2 | 42.6° | 42.6° |
| C39 | O33 | AS | C1 | 78.4° | 78.4° |
| C39 | O33 | AS | O1 | 164.3° | 164.3° |
| O33 | C39 | C38 | O31 | 177.9° | 177.9° |
| O33 | C39 | C38 | H15 | 58.1° | 58.1° |
| O33 | C39 | C38 | H16 | 62.3° | 62.3° |
| C38 | C39 | O33 | AS | 163.5° | 163.5° |
| C39 | C38 | O31 | H15 | 119.8° | 119.8° |
| C39 | C38 | O31 | H16 | 119.8° | 119.8° |
| C39 | C38 | O31 | C33 | 155.4° | 155.4° |
| C39 | C38 | H15 | H16 | 120.5° | 120.5° |
| O33 | AS | C2 | C1 | 123.0° | 123.0° |
| O33 | AS | C2 | O1 | 122.7° | 122.7° |
| O33 | AS | C1 | O1 | 121.1° | 121.1° |
| O33 | AS | C2 | H8 | 180.0° | 180.0° |
| O33 | AS | C2 | H9 | 60.0° | 60.0° |
| O33 | AS | C2 | H10 | 60.0° | 60.0° |
| O33 | AS | C1 | H11 | 180.0° | 180.0° |
| O33 | AS | C1 | H12 | 60.0° | 60.0° |
| O33 | AS | C1 | H13 | 60.0° | 60.0° |
| O33 | AS | O1 | H14 | 180.0° | 180.0° |
| C2 | AS | C1 | O1 | 117.3° | 117.3° |
| AS | C2 | H8 | H9 | 120.0° | 120.0° |
| AS | C2 | H8 | H10 | 120.0° | 120.0° |
| AS | C2 | H9 | H10 | 120.0° | 120.0° |
| C2 | AS | C1 | H11 | 58.4° | 58.4° |
| C2 | AS | C1 | H12 | 61.6° | 61.6° |
| C2 | AS | C1 | H13 | 178.4° | 178.4° |
| C2 | AS | O1 | H14 | 58.2° | 58.2° |
| C1 | AS | C2 | H8 | 57.0° | 57.0° |
| C1 | AS | C2 | H9 | 177.0° | 177.0° |
| C1 | AS | C2 | H10 | 63.1° | 63.1° |
| AS | C1 | H11 | H12 | 120.0° | 120.0° |
| AS | C1 | H11 | H13 | 120.0° | 120.0° |
| AS | C1 | H12 | H13 | 120.0° | 120.0° |
| C1 | AS | O1 | H14 | 58.4° | 58.4° |
| O1 | AS | C2 | H8 | 57.3° | 57.3° |
| O1 | AS | C2 | H9 | 62.7° | 62.7° |
| O1 | AS | C2 | H10 | 177.3° | 177.3° |
| O1 | AS | C1 | H11 | 58.9° | 58.9° |
| O1 | AS | C1 | H12 | 178.9° | 178.9° |
| O1 | AS | C1 | H13 | 61.1° | 61.1° |
| C38 | O31 | C33 | C32 | 76.0° | 76.0° |
| C38 | O31 | C33 | C34 | 92.6° | 92.6° |
| O31 | C38 | H15 | H16 | 120.5° | 120.5° |
| O12 | C19 | O13 | C18 | 179.0° | 179.0° |
| O12 | C19 | C18 | O11 | 1.1° | 1.1° |
| O12 | C19 | C18 | H17 | 118.8° | 118.8° |
| O12 | C19 | C18 | H18 | 121.1° | 121.1° |
| O13 | C19 | C18 | O11 | 177.9° | 177.9° |
| O13 | C19 | C18 | H17 | 62.1° | 62.1° |
| O13 | C19 | C18 | H18 | 57.9° | 57.9° |
| C19 | C18 | O11 | H17 | 120.0° | 120.0° |
| C19 | C18 | O11 | H18 | 120.0° | 120.0° |
| C19 | C18 | O11 | C13 | 170.4° | 170.4° |
| C19 | C18 | H17 | H18 | 120.0° | 120.0° |
| C18 | O11 | C13 | C12 | 90.9° | 90.9° |
| C18 | O11 | C13 | C14 | 76.0° | 76.0° |
| O11 | C18 | H17 | H18 | 119.9° | 119.9° |
| O01 | C08 | C09 | H19 | 121.6° | 121.6° |
| O01 | C08 | C09 | H20 | 121.6° | 121.6° |
| O01 | C08 | C09 | O02 | 147.1° | 147.1° |
| O01 | C08 | C09 | O03 | 34.7° | 34.7° |
| C08 | O01 | C03 | C04 | 90.4° | 90.4° |
| C08 | O01 | C03 | C02 | 85.2° | 85.2° |
| O01 | C08 | H19 | H20 | 114.7° | 114.7° |
| C03 | O01 | C08 | C09 | 8.3° | 8.3° |
| O01 | C03 | C04 | C02 | 175.6° | 175.6° |
| O01 | C03 | C04 | C31 | 6.1° | 6.1° |
| O01 | C03 | C04 | C05 | 177.0° | 177.0° |
| O01 | C03 | C02 | C01 | 6.8° | 6.8° |
| O01 | C03 | C02 | C07 | 176.9° | 176.9° |
| C03 | O01 | C08 | H19 | 129.9° | 129.9° |
| C03 | O01 | C08 | H20 | 113.3° | 113.3° |
| C08 | C09 | O02 | O03 | 178.0° | 178.0° |
| C09 | C08 | H19 | H20 | 114.6° | 114.6° |
| C08 | C09 | O03 | H21 | 178.0° | 178.0° |
| O02 | C09 | C08 | H19 | 91.2° | 91.2° |
| O02 | C09 | C08 | H20 | 25.5° | 25.5° |
| O02 | C09 | O03 | H21 | 0.0° | 0.0° |
| O03 | C09 | C08 | H19 | 86.9° | 86.9° |
| O03 | C09 | C08 | H20 | 156.4° | 156.4° |
| C03 | C04 | C31 | C05 | 176.9° | 176.9° |
| C03 | C04 | C31 | C32 | 99.9° | 99.9° |
| C04 | C03 | C02 | C01 | 177.6° | 177.6° |
| C04 | C03 | C02 | C07 | 1.4° | 1.4° |
| C03 | C04 | C05 | C06 | 0.3° | 0.3° |
| C03 | C04 | C31 | H22 | 19.1° | 19.1° |
| C03 | C04 | C31 | H23 | 141.2° | 141.2° |
| C03 | C04 | C05 | H34 | 179.8° | 179.8° |
| C02 | C03 | C04 | C31 | 178.3° | 178.3° |
| C02 | C03 | C04 | C05 | 1.4° | 1.4° |
| C03 | C02 | C01 | C14 | 96.5° | 96.5° |
| C03 | C02 | C01 | C07 | 176.3° | 176.3° |
| C03 | C02 | C07 | C06 | 0.1° | 0.1° |
| C03 | C02 | C01 | H31 | 23.3° | 23.3° |
| C03 | C02 | C01 | H32 | 143.8° | 143.8° |
| C03 | C02 | C07 | H33 | 179.9° | 179.9° |
| C04 | C31 | C32 | H22 | 118.9° | 118.9° |
| C04 | C31 | C32 | H23 | 118.9° | 118.9° |
| C04 | C31 | C32 | C33 | 88.4° | 88.4° |
| C04 | C31 | C32 | C37 | 87.1° | 87.1° |
| C31 | C04 | C05 | C06 | 177.4° | 177.4° |
| C04 | C31 | H22 | H23 | 123.0° | 123.0° |
| C31 | C04 | C05 | H34 | 2.6° | 2.6° |
| C05 | C04 | C31 | C32 | 77.0° | 77.0° |
| C04 | C05 | C06 | C07 | 0.9° | 0.9° |
| C04 | C05 | C06 | H34 | 180.0° | 180.0° |
| C04 | C05 | C06 | S1 | 178.8° | 178.8° |
| C05 | C04 | C31 | H22 | 164.0° | 164.0° |
| C05 | C04 | C31 | H23 | 41.9° | 41.9° |
| C31 | C32 | C33 | O31 | 12.0° | 12.0° |
| C31 | C32 | C33 | C37 | 175.5° | 175.5° |
| C31 | C32 | C33 | C34 | 179.9° | 179.9° |
| C31 | C32 | C37 | C36 | 177.7° | 177.7° |
| C32 | C31 | H22 | H23 | 123.1° | 123.1° |
| C31 | C32 | C37 | H24 | 2.3° | 2.3° |
| O31 | C33 | C32 | C34 | 168.1° | 168.1° |
| O31 | C33 | C32 | C37 | 172.4° | 172.4° |
| O31 | C33 | C34 | C35 | 172.0° | 172.0° |
| C33 | O31 | C38 | H15 | 84.8° | 84.8° |
| C33 | O31 | C38 | H16 | 35.6° | 35.6° |
| C33 | C32 | C37 | C36 | 2.1° | 2.1° |
| C32 | C33 | C34 | C35 | 4.1° | 4.1° |
| C33 | C32 | C31 | H22 | 30.6° | 30.6° |
| C33 | C32 | C31 | H23 | 152.7° | 152.7° |
| C33 | C32 | C37 | H24 | 177.9° | 177.9° |
| C34 | C33 | C32 | C37 | 4.3° | 4.3° |
| C33 | C34 | C35 | C36 | 1.7° | 1.7° |
| C33 | C34 | C21 | H2 | 154.5° | 154.5° |
| C33 | C34 | C21 | H3 | 32.7° | 32.7° |
| C33 | C34 | C35 | H25 | 178.3° | 178.3° |
| C32 | C37 | C36 | H24 | 180.0° | 180.0° |
| C32 | C37 | C36 | C35 | 0.2° | 0.2° |
| C32 | C37 | C36 | S4 | 178.6° | 178.6° |
| C37 | C32 | C31 | H22 | 154.0° | 154.0° |
| C37 | C32 | C31 | H23 | 31.9° | 31.9° |
| C37 | C36 | C35 | C34 | 0.4° | 0.4° |
| C37 | C36 | C35 | S4 | 178.4° | 178.4° |
| C37 | C36 | S4 | O35 | 53.6° | 53.6° |
| C37 | C36 | S4 | O34 | 177.0° | 177.0° |
| C37 | C36 | S4 | O36 | 63.6° | 63.6° |
| C37 | C36 | C35 | H25 | 179.6° | 179.6° |
| C34 | C35 | C36 | H25 | 180.0° | 180.0° |
| C34 | C35 | C36 | S4 | 178.8° | 178.8° |
| C35 | C34 | C21 | H2 | 30.2° | 30.2° |
| C35 | C34 | C21 | H3 | 152.0° | 152.0° |
| C35 | C36 | S4 | O35 | 128.1° | 128.1° |
| C35 | C36 | S4 | O34 | 1.3° | 1.3° |
| C35 | C36 | S4 | O36 | 114.7° | 114.7° |
| C35 | C36 | C37 | H24 | 179.8° | 179.8° |
| C36 | S4 | O35 | O34 | 123.8° | 123.8° |
| C36 | S4 | O35 | O36 | 122.3° | 122.3° |
| C36 | S4 | O34 | O36 | 119.3° | 119.3° |
| S4 | C36 | C37 | H24 | 1.4° | 1.4° |
| S4 | C36 | C35 | H25 | 1.3° | 1.3° |
| C36 | S4 | O36 | H37 | 115.0° | 115.0° |
| O35 | S4 | O34 | O36 | 114.1° | 114.1° |
| O35 | S4 | O36 | H37 | 123.0° | 123.0° |
| O34 | S4 | O36 | H37 | 0.0° | 0.0° |
| C25 | C24 | C11 | C12 | 71.9° | 71.9° |
| C25 | C24 | C11 | H27 | 169.3° | 169.3° |
| C25 | C24 | C11 | H28 | 47.0° | 47.0° |
| C24 | C11 | C12 | H27 | 118.9° | 118.9° |
| C24 | C11 | C12 | H28 | 118.9° | 118.9° |
| C24 | C11 | C12 | C13 | 79.9° | 79.9° |
| C24 | C11 | C12 | C17 | 93.4° | 93.4° |
| C11 | C24 | C25 | H26 | 2.8° | 2.8° |
| C24 | C11 | H27 | H28 | 123.2° | 123.2° |
| C11 | C12 | C13 | C17 | 173.8° | 173.8° |
| C11 | C12 | C13 | O11 | 14.7° | 14.7° |
| C11 | C12 | C13 | C14 | 179.3° | 179.3° |
| C11 | C12 | C17 | C16 | 176.4° | 176.4° |
| C12 | C11 | H27 | H28 | 123.3° | 123.3° |
| C11 | C12 | C17 | H29 | 3.6° | 3.6° |
| C12 | C13 | O11 | C14 | 166.9° | 166.9° |
| C13 | C12 | C17 | C16 | 2.6° | 2.6° |
| C12 | C13 | C14 | C15 | 5.8° | 5.8° |
| C12 | C13 | C14 | C01 | 178.5° | 178.5° |
| C13 | C12 | C11 | H27 | 38.9° | 38.9° |
| C13 | C12 | C11 | H28 | 161.2° | 161.2° |
| C13 | C12 | C17 | H29 | 177.4° | 177.4° |
| C17 | C12 | C13 | O11 | 171.5° | 171.5° |
| C17 | C12 | C13 | C14 | 5.5° | 5.5° |
| C12 | C17 | C16 | H29 | 180.0° | 180.0° |
| C12 | C17 | C16 | S2 | 179.6° | 179.6° |
| C12 | C17 | C16 | C15 | 0.7° | 0.7° |
| C17 | C12 | C11 | H27 | 147.7° | 147.7° |
| C17 | C12 | C11 | H28 | 25.5° | 25.5° |
| O11 | C13 | C14 | C15 | 170.6° | 170.6° |
| O11 | C13 | C14 | C01 | 13.7° | 13.7° |
| C13 | O11 | C18 | H17 | 50.4° | 50.4° |
| C13 | O11 | C18 | H18 | 69.6° | 69.6° |
| C13 | C14 | C15 | C16 | 3.2° | 3.2° |
| C13 | C14 | C15 | C01 | 176.1° | 176.1° |
| C13 | C14 | C01 | C02 | 83.2° | 83.2° |
| C13 | C14 | C15 | H30 | 176.8° | 176.8° |
| C13 | C14 | C01 | H31 | 36.6° | 36.6° |
| C13 | C14 | C01 | H32 | 157.0° | 157.1° |
| C17 | C16 | S2 | C15 | 179.8° | 179.8° |
| C17 | C16 | S2 | O14 | 152.6° | 152.6° |
| C17 | C16 | S2 | O15 | 87.1° | 87.1° |
| C17 | C16 | S2 | O16 | 36.0° | 36.0° |
| C17 | C16 | C15 | C14 | 1.0° | 1.0° |
| C17 | C16 | C15 | H30 | 179.0° | 179.0° |
| C16 | S2 | O14 | O15 | 120.7° | 120.7° |
| C16 | S2 | O14 | O16 | 114.7° | 114.7° |
| C16 | S2 | O15 | O16 | 118.3° | 118.3° |
| S2 | C16 | C15 | C14 | 179.2° | 179.2° |
| S2 | C16 | C17 | H29 | 0.4° | 0.4° |
| S2 | C16 | C15 | H30 | 0.7° | 0.7° |
| C16 | S2 | O16 | H38 | 117.1° | 117.1° |
| C15 | C16 | S2 | O14 | 27.2° | 27.2° |
| C15 | C16 | S2 | O15 | 93.1° | 93.1° |
| C15 | C16 | S2 | O16 | 143.7° | 143.7° |
| C16 | C15 | C14 | H30 | 180.0° | 180.0° |
| C16 | C15 | C14 | C01 | 179.3° | 179.3° |
| C15 | C16 | C17 | H29 | 179.3° | 179.3° |
| O14 | S2 | O15 | O16 | 121.5° | 121.5° |
| O14 | S2 | O16 | H38 | 0.0° | 0.0° |
| O15 | S2 | O16 | H38 | 122.0° | 122.0° |
| C15 | C14 | C01 | C02 | 92.4° | 92.4° |
| C15 | C14 | C01 | H31 | 147.9° | 147.9° |
| C15 | C14 | C01 | H32 | 27.4° | 27.4° |
| C14 | C01 | C02 | H31 | 119.7° | 119.7° |
| C14 | C01 | C02 | H32 | 119.8° | 119.8° |
| C14 | C01 | C02 | C07 | 79.8° | 79.8° |
| C01 | C14 | C15 | H30 | 0.7° | 0.7° |
| C14 | C01 | H31 | H32 | 120.8° | 120.8° |
| C01 | C02 | C07 | C06 | 176.6° | 176.6° |
| C02 | C01 | H31 | H32 | 120.8° | 120.7° |
| C01 | C02 | C07 | H33 | 3.4° | 3.4° |
| C02 | C07 | C06 | H33 | 180.0° | 180.0° |
| C02 | C07 | C06 | C05 | 1.0° | 1.0° |
| C02 | C07 | C06 | S1 | 178.7° | 178.7° |
| C07 | C02 | C01 | H31 | 160.4° | 160.4° |
| C07 | C02 | C01 | H32 | 39.9° | 39.9° |
| C07 | C06 | C05 | S1 | 177.8° | 177.8° |
| C07 | C06 | S1 | O06 | 118.4° | 118.4° |
| C07 | C06 | S1 | O05 | 119.5° | 119.5° |
| C07 | C06 | S1 | O04 | 4.3° | 4.3° |
| C07 | C06 | C05 | H34 | 179.1° | 179.1° |
| C05 | C06 | S1 | O06 | 63.9° | 63.9° |
| C05 | C06 | S1 | O05 | 58.2° | 58.2° |
| C05 | C06 | S1 | O04 | 173.4° | 173.4° |
| C05 | C06 | C07 | H33 | 179.0° | 179.0° |
| C06 | S1 | O06 | O05 | 123.3° | 123.3° |
| C06 | S1 | O06 | O04 | 123.7° | 123.7° |
| C06 | S1 | O05 | O04 | 119.1° | 119.1° |
| S1 | C06 | C07 | H33 | 1.2° | 1.2° |
| S1 | C06 | C05 | H34 | 1.2° | 1.2° |
| C06 | S1 | O04 | H39 | 119.0° | 119.0° |
| O06 | S1 | O05 | O04 | 116.0° | 116.0° |
| O06 | S1 | O04 | H39 | 115.7° | 115.7° |
| O05 | S1 | O04 | H39 | 0.0° | 0.0° |
| H8 | C2 | H9 | H10 | 120.0° | 120.0° |
| H11 | C1 | H12 | H13 | 120.0° | 120.0° |
