97C
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C08 | C07 | sing | 1.53Å | 1.53Å | |
| C08 | C09 | sing | 1.53Å | 1.53Å | |
| C09 | C10 | sing | 1.53Å | 1.53Å | |
| C10 | C11 | sing | 1.51Å | 1.54Å | |
| O12 | C11 | doub | 1.21Å | 1.19Å | |
| C11 | O13 | sing | 1.34Å | 1.41Å | |
| O21 | C20 | sing | 1.43Å | 1.39Å | |
| C20 | C22 | sing | 1.53Å | 1.53Å | |
| C20 | C19 | sing | 1.53Å | 1.54Å | |
| O13 | C14 | sing | 1.45Å | 1.40Å | |
| C23 | C22 | sing | 1.53Å | 1.53Å | |
| C18 | C19 | sing | 1.53Å | 1.54Å | |
| C18 | C17 | sing | 1.53Å | 1.55Å | |
| O16 | C15 | sing | 1.43Å | 1.41Å | |
| O16 | C17 | sing | 1.43Å | 1.41Å | |
| C15 | C14 | sing | 1.53Å | 1.53Å | |
| C15 | H1 | sing | 1.09Å | 1.10Å | |
| C15 | H2 | sing | 1.09Å | 1.10Å | |
| C10 | H3 | sing | 1.09Å | 1.10Å | |
| C10 | H4 | sing | 1.09Å | 1.10Å | |
| C07 | H5 | sing | 1.09Å | 1.10Å | |
| C07 | H6 | sing | 1.09Å | 1.10Å | |
| C07 | H7 | sing | 1.09Å | 1.10Å | |
| C08 | H8 | sing | 1.09Å | 1.10Å | |
| C08 | H9 | sing | 1.09Å | 1.10Å | |
| C09 | H10 | sing | 1.09Å | 1.10Å | |
| C09 | H11 | sing | 1.09Å | 1.10Å | |
| C14 | H12 | sing | 1.09Å | 1.10Å | |
| C14 | H13 | sing | 1.09Å | 1.10Å | |
| C17 | H14 | sing | 1.09Å | 1.10Å | |
| C17 | H15 | sing | 1.09Å | 1.10Å | |
| C18 | H16 | sing | 1.09Å | 1.10Å | |
| C18 | H17 | sing | 1.09Å | 1.10Å | |
| C19 | H18 | sing | 1.09Å | 1.10Å | |
| C19 | H19 | sing | 1.09Å | 1.10Å | |
| C20 | H20 | sing | 1.09Å | 1.10Å | |
| C22 | H21 | sing | 1.09Å | 1.10Å | |
| C22 | H22 | sing | 1.09Å | 1.10Å | |
| C23 | H23 | sing | 1.09Å | 1.10Å | |
| C23 | H24 | sing | 1.09Å | 1.10Å | |
| C23 | H25 | sing | 1.09Å | 1.10Å | |
| O21 | H26 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C07 | C08 | C09 | 112.9° | 109.5° |
| C08 | C07 | H5 | 109.5° | 109.5° |
| C08 | C07 | H6 | 109.5° | 109.4° |
| C08 | C07 | H7 | 109.5° | 109.5° |
| C07 | C08 | H8 | 108.6° | 109.4° |
| C07 | C08 | H9 | 108.6° | 109.5° |
| C08 | C09 | C10 | 112.0° | 109.4° |
| C09 | C08 | H8 | 108.6° | 109.4° |
| C09 | C08 | H9 | 108.6° | 109.5° |
| C08 | C09 | H10 | 108.8° | 109.5° |
| C08 | C09 | H11 | 108.9° | 109.4° |
| C09 | C10 | C11 | 116.6° | 109.4° |
| C09 | C10 | H3 | 107.7° | 109.5° |
| C09 | C10 | H4 | 107.7° | 109.5° |
| C10 | C09 | H10 | 108.8° | 109.5° |
| C10 | C09 | H11 | 108.8° | 109.5° |
| C10 | C11 | O12 | 119.7° | 120.0° |
| C10 | C11 | O13 | 122.2° | 119.9° |
| C11 | C10 | H3 | 107.6° | 109.5° |
| C11 | C10 | H4 | 107.6° | 109.5° |
| O12 | C11 | O13 | 118.1° | 120.0° |
| C11 | O13 | C14 | 113.5° | 117.0° |
| O21 | C20 | C22 | 107.8° | 109.5° |
| O21 | C20 | C19 | 111.6° | 109.5° |
| O21 | C20 | H20 | 110.6° | 109.5° |
| C20 | O21 | H26 | 109.5° | 114.0° |
| C22 | C20 | C19 | 109.6° | 109.4° |
| C20 | C22 | C23 | 104.4° | 109.5° |
| C22 | C20 | H20 | 108.6° | 109.5° |
| C20 | C22 | H21 | 110.7° | 109.5° |
| C20 | C22 | H22 | 110.7° | 109.5° |
| C20 | C19 | C18 | 118.8° | 109.5° |
| C20 | C19 | H18 | 107.1° | 109.4° |
| C20 | C19 | H19 | 107.1° | 109.5° |
| C19 | C20 | H20 | 108.6° | 109.5° |
| O13 | C14 | C15 | 111.3° | 109.5° |
| O13 | C14 | H12 | 109.0° | 109.5° |
| O13 | C14 | H13 | 109.0° | 109.4° |
| C23 | C22 | H21 | 110.7° | 109.5° |
| C23 | C22 | H22 | 110.7° | 109.4° |
| C22 | C23 | H23 | 109.5° | 109.5° |
| C22 | C23 | H24 | 109.5° | 109.5° |
| C22 | C23 | H25 | 109.4° | 109.5° |
| C19 | C18 | C17 | 115.9° | 109.5° |
| C19 | C18 | H16 | 107.8° | 109.5° |
| C19 | C18 | H17 | 107.8° | 109.4° |
| C18 | C19 | H18 | 107.1° | 109.5° |
| C18 | C19 | H19 | 107.1° | 109.5° |
| C18 | C17 | O16 | 113.1° | 109.5° |
| C18 | C17 | H14 | 108.5° | 109.5° |
| C18 | C17 | H15 | 108.6° | 109.5° |
| C17 | C18 | H16 | 107.8° | 109.5° |
| C17 | C18 | H17 | 107.8° | 109.5° |
| C15 | O16 | C17 | 120.1° | 114.0° |
| O16 | C15 | C14 | 112.3° | 109.4° |
| O16 | C15 | H1 | 108.7° | 109.5° |
| O16 | C15 | H2 | 108.8° | 109.5° |
| O16 | C17 | H14 | 108.6° | 109.4° |
| O16 | C17 | H15 | 108.5° | 109.5° |
| C14 | C15 | H1 | 108.8° | 109.5° |
| C14 | C15 | H2 | 108.7° | 109.4° |
| C15 | C14 | H12 | 109.0° | 109.5° |
| C15 | C14 | H13 | 109.0° | 109.5° |
| H1 | C15 | H2 | 109.5° | 109.5° |
| H3 | C10 | H4 | 109.5° | 109.5° |
| H5 | C07 | H6 | 109.5° | 109.4° |
| H5 | C07 | H7 | 109.4° | 109.5° |
| H6 | C07 | H7 | 109.5° | 109.4° |
| H8 | C08 | H9 | 109.5° | 109.4° |
| H10 | C09 | H11 | 109.5° | 109.5° |
| H12 | C14 | H13 | 109.5° | 109.5° |
| H14 | C17 | H15 | 109.5° | 109.4° |
| H16 | C18 | H17 | 109.5° | 109.4° |
| H18 | C19 | H19 | 109.5° | 109.5° |
| H21 | C22 | H22 | 109.5° | 109.5° |
| H23 | C23 | H24 | 109.4° | 109.5° |
| H23 | C23 | H25 | 109.5° | 109.4° |
| H24 | C23 | H25 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C07 | C08 | C09 | H8 | 120.5° | 120.0° |
| C07 | C08 | C09 | H9 | 120.5° | 120.1° |
| C07 | C08 | C09 | C10 | 166.2° | 180.0° |
| C08 | C07 | H5 | H6 | 120.0° | 120.0° |
| C08 | C07 | H5 | H7 | 120.0° | 120.1° |
| C08 | C07 | H6 | H7 | 120.0° | 120.0° |
| C07 | C08 | H8 | H9 | 118.5° | 120.0° |
| C07 | C08 | C09 | H10 | 73.5° | 59.9° |
| C07 | C08 | C09 | H11 | 45.8° | 60.1° |
| C08 | C09 | C10 | H10 | 120.4° | 120.1° |
| C08 | C09 | C10 | H11 | 120.4° | 119.9° |
| C08 | C09 | C10 | C11 | 174.9° | 180.0° |
| C08 | C09 | C10 | H3 | 64.1° | 60.1° |
| C08 | C09 | C10 | H4 | 53.9° | 60.0° |
| C09 | C08 | C07 | H5 | 180.0° | 59.9° |
| C09 | C08 | C07 | H6 | 60.0° | 60.0° |
| C09 | C08 | C07 | H7 | 60.0° | 180.0° |
| C09 | C08 | H8 | H9 | 118.4° | 120.0° |
| C08 | C09 | H10 | H11 | 118.9° | 119.9° |
| C09 | C10 | C11 | H3 | 121.0° | 119.9° |
| C09 | C10 | C11 | H4 | 121.1° | 120.0° |
| C09 | C10 | C11 | O12 | 8.5° | 0.0° |
| C09 | C10 | C11 | O13 | 173.7° | 180.0° |
| C09 | C10 | H3 | H4 | 116.8° | 120.1° |
| C10 | C09 | C08 | H8 | 45.7° | 60.0° |
| C10 | C09 | C08 | H9 | 73.3° | 59.9° |
| C10 | C09 | H10 | H11 | 118.8° | 120.0° |
| C10 | C11 | O12 | O13 | 177.8° | 180.0° |
| C10 | C11 | O13 | C14 | 117.0° | 180.0° |
| C11 | C10 | H3 | H4 | 116.7° | 120.0° |
| C11 | C10 | C09 | H10 | 54.6° | 60.0° |
| C11 | C10 | C09 | H11 | 64.7° | 60.1° |
| O12 | C11 | O13 | C14 | 65.2° | 0.0° |
| O12 | C11 | C10 | H3 | 129.6° | 120.0° |
| O12 | C11 | C10 | H4 | 112.5° | 120.0° |
| C11 | O13 | C14 | C15 | 119.8° | 180.0° |
| O13 | C11 | C10 | H3 | 52.7° | 60.1° |
| O13 | C11 | C10 | H4 | 65.2° | 60.0° |
| C11 | O13 | C14 | H12 | 0.5° | 59.9° |
| C11 | O13 | C14 | H13 | 119.9° | 60.0° |
| O21 | C20 | C22 | C19 | 121.7° | 120.0° |
| O21 | C20 | C22 | H20 | 119.8° | 120.0° |
| O21 | C20 | C19 | H20 | 122.1° | 120.0° |
| O21 | C20 | C22 | C23 | 176.2° | 65.0° |
| O21 | C20 | C19 | C18 | 83.9° | 65.0° |
| O21 | C20 | C19 | H18 | 37.4° | 175.0° |
| O21 | C20 | C19 | H19 | 154.8° | 55.0° |
| O21 | C20 | C22 | H21 | 64.6° | 175.0° |
| O21 | C20 | C22 | H22 | 57.0° | 55.0° |
| C22 | C20 | C19 | H20 | 118.5° | 120.0° |
| C20 | C22 | C23 | H21 | 119.2° | 120.0° |
| C20 | C22 | C23 | H22 | 119.2° | 120.0° |
| C22 | C20 | C19 | C18 | 156.8° | 175.0° |
| C22 | C20 | C19 | H18 | 81.9° | 55.0° |
| C22 | C20 | C19 | H19 | 35.5° | 65.0° |
| C20 | C22 | H21 | H22 | 122.3° | 120.0° |
| C20 | C22 | C23 | H23 | 180.0° | 60.0° |
| C20 | C22 | C23 | H24 | 60.0° | 60.0° |
| C20 | C22 | C23 | H25 | 60.0° | 180.0° |
| C22 | C20 | O21 | H26 | 180.0° | 60.0° |
| C19 | C20 | C22 | C23 | 62.1° | 175.0° |
| C20 | C19 | C18 | H18 | 121.3° | 120.0° |
| C20 | C19 | C18 | H19 | 121.3° | 120.0° |
| C20 | C19 | C18 | C17 | 115.7° | 180.0° |
| C20 | C19 | C18 | H16 | 123.4° | 60.0° |
| C20 | C19 | C18 | H17 | 5.3° | 60.0° |
| C20 | C19 | H18 | H19 | 115.8° | 120.0° |
| C19 | C20 | C22 | H21 | 57.1° | 55.0° |
| C19 | C20 | C22 | H22 | 178.7° | 65.0° |
| C19 | C20 | O21 | H26 | 59.6° | 60.0° |
| O13 | C14 | C15 | O16 | 77.4° | 65.0° |
| O13 | C14 | C15 | H12 | 120.3° | 120.0° |
| O13 | C14 | C15 | H13 | 120.3° | 120.0° |
| O13 | C14 | C15 | H1 | 162.1° | 175.1° |
| O13 | C14 | C15 | H2 | 43.0° | 55.0° |
| O13 | C14 | H12 | H13 | 119.2° | 120.0° |
| C23 | C22 | C20 | H20 | 56.4° | 55.0° |
| C23 | C22 | H21 | H22 | 122.4° | 120.0° |
| C22 | C23 | H23 | H24 | 120.0° | 120.0° |
| C22 | C23 | H23 | H25 | 120.0° | 120.0° |
| C22 | C23 | H24 | H25 | 120.0° | 120.0° |
| C19 | C18 | C17 | H16 | 120.9° | 120.0° |
| C19 | C18 | C17 | H17 | 120.9° | 120.0° |
| C19 | C18 | C17 | O16 | 110.2° | 180.0° |
| C19 | C18 | C17 | H14 | 10.3° | 60.0° |
| C19 | C18 | C17 | H15 | 129.2° | 60.0° |
| C19 | C18 | H16 | H17 | 117.1° | 120.0° |
| C18 | C19 | H18 | H19 | 115.8° | 120.0° |
| C18 | C19 | C20 | H20 | 38.3° | 55.0° |
| C18 | C17 | O16 | C15 | 117.0° | 180.0° |
| C18 | C17 | O16 | H14 | 120.5° | 120.0° |
| C18 | C17 | O16 | H15 | 120.6° | 120.1° |
| C18 | C17 | H14 | H15 | 118.3° | 120.0° |
| C17 | C18 | H16 | H17 | 117.1° | 120.0° |
| C17 | C18 | C19 | H18 | 5.7° | 60.0° |
| C17 | C18 | C19 | H19 | 123.0° | 60.0° |
| O16 | C15 | C14 | H1 | 120.4° | 120.0° |
| O16 | C15 | C14 | H2 | 120.4° | 120.0° |
| O16 | C15 | H1 | H2 | 118.7° | 120.0° |
| O16 | C15 | C14 | H12 | 162.3° | 175.0° |
| O16 | C15 | C14 | H13 | 42.8° | 55.0° |
| C15 | O16 | C17 | H14 | 3.5° | 60.0° |
| C15 | O16 | C17 | H15 | 122.4° | 59.9° |
| C17 | O16 | C15 | C14 | 47.5° | 180.0° |
| C17 | O16 | C15 | H1 | 72.9° | 60.0° |
| C17 | O16 | C15 | H2 | 167.9° | 60.1° |
| O16 | C17 | H14 | H15 | 118.3° | 120.0° |
| O16 | C17 | C18 | H16 | 128.8° | 59.9° |
| O16 | C17 | C18 | H17 | 10.7° | 60.0° |
| C14 | C15 | H1 | H2 | 118.7° | 120.0° |
| C15 | C14 | H12 | H13 | 119.2° | 120.0° |
| H1 | C15 | C14 | H12 | 41.9° | 55.0° |
| H1 | C15 | C14 | H13 | 77.6° | 65.0° |
| H2 | C15 | C14 | H12 | 77.3° | 65.0° |
| H2 | C15 | C14 | H13 | 163.2° | 175.0° |
| H3 | C10 | C09 | H10 | 175.6° | 60.0° |
| H3 | C10 | C09 | H11 | 56.3° | 180.0° |
| H4 | C10 | C09 | H10 | 66.4° | 180.0° |
| H4 | C10 | C09 | H11 | 174.3° | 59.9° |
| H5 | C07 | H6 | H7 | 119.9° | 120.0° |
| H5 | C07 | C08 | H8 | 59.5° | 60.0° |
| H5 | C07 | C08 | H9 | 59.5° | 180.0° |
| H6 | C07 | C08 | H8 | 60.5° | 180.0° |
| H6 | C07 | C08 | H9 | 179.5° | 60.1° |
| H7 | C07 | C08 | H8 | 179.5° | 60.0° |
| H7 | C07 | C08 | H9 | 60.5° | 59.9° |
| H8 | C08 | C09 | H10 | 166.1° | 60.0° |
| H8 | C08 | C09 | H11 | 74.7° | 180.0° |
| H9 | C08 | C09 | H10 | 47.1° | 180.0° |
| H9 | C08 | C09 | H11 | 166.3° | 60.0° |
| H14 | C17 | C18 | H16 | 110.6° | 60.0° |
| H14 | C17 | C18 | H17 | 131.3° | 180.0° |
| H15 | C17 | C18 | H16 | 8.3° | 180.0° |
| H15 | C17 | C18 | H17 | 109.9° | 60.0° |
| H16 | C18 | C19 | H18 | 115.3° | 179.9° |
| H16 | C18 | C19 | H19 | 2.1° | 60.0° |
| H17 | C18 | C19 | H18 | 126.6° | 60.0° |
| H17 | C18 | C19 | H19 | 116.0° | 180.0° |
| H18 | C19 | C20 | H20 | 159.6° | 65.0° |
| H19 | C19 | C20 | H20 | 83.1° | 175.1° |
| H20 | C20 | C22 | H21 | 175.6° | 65.0° |
| H20 | C20 | C22 | H22 | 62.8° | 175.0° |
| H20 | C20 | O21 | H26 | 61.4° | 180.0° |
| H21 | C22 | C23 | H23 | 60.8° | 180.0° |
| H21 | C22 | C23 | H24 | 179.2° | 60.0° |
| H21 | C22 | C23 | H25 | 59.2° | 60.0° |
| H22 | C22 | C23 | H23 | 60.8° | 60.0° |
| H22 | C22 | C23 | H24 | 59.2° | 180.0° |
| H22 | C22 | C23 | H25 | 179.2° | 60.0° |
| H23 | C23 | H24 | H25 | 120.0° | 120.0° |
