SPO
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CM1 | O1 | sing | 1.43Å | 1.52Å | |
| CM1 | HM11 | sing | 1.09Å | 1.11Å | |
| CM1 | HM12 | sing | 1.09Å | 1.12Å | |
| CM1 | HM13 | sing | 1.09Å | 1.12Å | |
| O1 | C1 | sing | 1.43Å | 1.53Å | |
| C1 | C2 | sing | 1.53Å | 1.53Å | |
| C1 | C3 | sing | 1.53Å | 1.52Å | |
| C1 | C4 | sing | 1.53Å | 1.51Å | |
| C2 | H21A | sing | 1.09Å | 1.11Å | |
| C2 | H22A | sing | 1.09Å | 1.11Å | |
| C2 | H23 | sing | 1.09Å | 1.12Å | |
| C3 | H31 | sing | 1.09Å | 1.11Å | |
| C3 | H32A | sing | 1.09Å | 1.12Å | |
| C3 | H33 | sing | 1.09Å | 1.12Å | |
| C4 | C5 | sing | 1.51Å | 1.45Å | |
| C4 | H41 | sing | 1.09Å | 1.11Å | |
| C4 | H42 | sing | 1.09Å | 1.12Å | |
| C5 | C6 | doub | 1.34Å | 1.51Å | |
| C5 | H5 | sing | 1.08Å | 1.10Å | |
| C6 | C7 | sing | 1.42Å | 1.39Å | |
| C6 | H6 | sing | 1.08Å | 1.10Å | |
| C7 | C8 | sing | 1.51Å | 1.54Å | |
| C7 | C9 | doub | 1.36Å | 1.39Å | |
| C8 | H81 | sing | 1.09Å | 1.12Å | |
| C8 | H82 | sing | 1.09Å | 1.12Å | |
| C8 | H83 | sing | 1.09Å | 1.11Å | |
| C9 | C10 | sing | 1.41Å | 1.54Å | |
| C9 | H9 | sing | 1.08Å | 1.10Å | |
| C10 | C11 | doub | 1.37Å | 1.53Å | |
| C10 | H10 | sing | 1.08Å | 1.10Å | |
| C11 | C12 | sing | 1.40Å | 1.38Å | |
| C11 | H11 | sing | 1.08Å | 1.10Å | |
| C12 | C13 | sing | 1.51Å | 1.57Å | |
| C12 | C14 | doub | 1.38Å | 1.41Å | |
| C13 | H131 | sing | 1.09Å | 1.12Å | |
| C13 | H132 | sing | 1.09Å | 1.12Å | |
| C13 | H133 | sing | 1.09Å | 1.11Å | |
| C14 | C15 | sing | 1.40Å | 1.57Å | |
| C14 | H14 | sing | 1.08Å | 1.10Å | |
| C15 | C16 | doub | 1.38Å | 1.59Å | |
| C15 | H15 | sing | 1.08Å | 1.10Å | |
| C16 | C17 | sing | 1.40Å | 1.41Å | |
| C16 | H16 | sing | 1.08Å | 1.10Å | |
| C17 | C18 | sing | 1.51Å | 1.53Å | |
| C17 | C19 | doub | 1.38Å | 1.39Å | |
| C18 | H181 | sing | 1.09Å | 1.12Å | |
| C18 | H182 | sing | 1.09Å | 1.12Å | |
| C18 | H183 | sing | 1.09Å | 1.11Å | |
| C19 | C20 | sing | 1.40Å | 1.41Å | |
| C19 | H19 | sing | 1.08Å | 1.10Å | |
| C20 | C21 | doub | 1.38Å | 1.51Å | |
| C20 | H20 | sing | 1.08Å | 1.10Å | |
| C21 | C22 | sing | 1.40Å | 1.47Å | |
| C21 | H21 | sing | 1.08Å | 1.10Å | |
| C22 | C23 | doub | 1.36Å | 1.38Å | |
| C22 | H22 | sing | 1.08Å | 1.10Å | |
| C23 | C24 | sing | 1.51Å | 1.54Å | |
| C23 | C25 | sing | 1.41Å | 1.39Å | |
| C24 | H241 | sing | 1.09Å | 1.12Å | |
| C24 | H242 | sing | 1.09Å | 1.12Å | |
| C24 | H243 | sing | 1.09Å | 1.11Å | |
| C25 | C26 | doub | 1.36Å | 1.48Å | |
| C25 | H25 | sing | 1.08Å | 1.10Å | |
| C26 | C27 | sing | 1.42Å | 1.49Å | |
| C26 | H26 | sing | 1.08Å | 1.10Å | |
| C27 | C28 | doub | 1.34Å | 1.38Å | |
| C27 | H27 | sing | 1.08Å | 1.10Å | |
| C28 | C29 | sing | 1.51Å | 1.54Å | |
| C28 | C30 | sing | 1.51Å | 1.54Å | |
| C29 | H291 | sing | 1.09Å | 1.11Å | |
| C29 | H292 | sing | 1.09Å | 1.12Å | |
| C29 | H293 | sing | 1.09Å | 1.11Å | |
| C30 | C31 | sing | 1.53Å | 1.51Å | |
| C30 | H301 | sing | 1.09Å | 1.11Å | |
| C30 | H302 | sing | 1.09Å | 1.12Å | |
| C31 | C32 | sing | 1.51Å | 1.40Å | |
| C31 | H311 | sing | 1.09Å | 1.12Å | |
| C31 | H312 | sing | 1.09Å | 1.11Å | |
| C32 | C33 | doub | 1.31Å | 1.39Å | |
| C32 | H32 | sing | 1.08Å | 1.10Å | |
| C33 | C34 | sing | 1.51Å | 1.53Å | |
| C33 | C35 | sing | 1.51Å | 1.56Å | |
| C34 | H341 | sing | 1.09Å | 1.11Å | |
| C34 | H342 | sing | 1.09Å | 1.12Å | |
| C34 | H343 | sing | 1.09Å | 1.11Å | |
| C35 | C36 | sing | 1.53Å | 1.54Å | |
| C35 | H351 | sing | 1.09Å | 1.12Å | |
| C35 | H352 | sing | 1.09Å | 1.11Å | |
| C36 | C37 | sing | 1.51Å | 1.51Å | |
| C36 | H361 | sing | 1.09Å | 1.11Å | |
| C36 | H362 | sing | 1.09Å | 1.12Å | |
| C37 | C38 | doub | 1.31Å | 1.40Å | |
| C37 | H37 | sing | 1.08Å | 1.10Å | |
| C38 | C39 | sing | 1.51Å | 1.55Å | |
| C38 | C40 | sing | 1.51Å | 1.54Å | |
| C39 | H391 | sing | 1.09Å | 1.12Å | |
| C39 | H392 | sing | 1.09Å | 1.11Å | |
| C39 | H393 | sing | 1.09Å | 1.12Å | |
| C40 | H401 | sing | 1.09Å | 1.12Å | |
| C40 | H402 | sing | 1.09Å | 1.12Å | |
| C40 | H403 | sing | 1.09Å | 1.11Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | CM1 | HM11 | 116.5° | 109.5° |
| O1 | CM1 | HM12 | 109.7° | 109.5° |
| O1 | CM1 | HM13 | 109.7° | 109.5° |
| CM1 | O1 | C1 | 116.5° | 106.9° |
| HM11 | CM1 | HM12 | 109.7° | 109.5° |
| HM11 | CM1 | HM13 | 109.6° | 109.4° |
| HM12 | CM1 | HM13 | 100.5° | 109.5° |
| O1 | C1 | C2 | 109.0° | 109.5° |
| O1 | C1 | C3 | 108.9° | 109.5° |
| O1 | C1 | C4 | 110.0° | 109.5° |
| C2 | C1 | C3 | 110.0° | 109.5° |
| C2 | C1 | C4 | 107.9° | 109.4° |
| C1 | C2 | H21A | 109.0° | 109.4° |
| C1 | C2 | H22A | 112.4° | 109.4° |
| C1 | C2 | H23 | 112.3° | 109.5° |
| C3 | C1 | C4 | 110.9° | 109.4° |
| C1 | C3 | H31 | 109.0° | 109.5° |
| C1 | C3 | H32A | 112.5° | 109.5° |
| C1 | C3 | H33 | 112.5° | 109.5° |
| C1 | C4 | C5 | 113.4° | 109.4° |
| C1 | C4 | H41 | 110.7° | 109.5° |
| C1 | C4 | H42 | 110.7° | 109.5° |
| H21A | C2 | H22A | 112.4° | 109.5° |
| H21A | C2 | H23 | 112.3° | 109.5° |
| H22A | C2 | H23 | 98.1° | 109.5° |
| H31 | C3 | H32A | 112.4° | 109.4° |
| H31 | C3 | H33 | 112.3° | 109.4° |
| H32A | C3 | H33 | 98.0° | 109.5° |
| C5 | C4 | H41 | 110.8° | 109.5° |
| C5 | C4 | H42 | 110.7° | 109.4° |
| C4 | C5 | C6 | 119.5° | 120.0° |
| C4 | C5 | H5 | 118.2° | 120.0° |
| H41 | C4 | H42 | 99.6° | 109.5° |
| C6 | C5 | H5 | 122.3° | 120.0° |
| C5 | C6 | C7 | 120.2° | 120.0° |
| C5 | C6 | H6 | 124.2° | 120.0° |
| C7 | C6 | H6 | 115.6° | 120.0° |
| C6 | C7 | C8 | 121.6° | 120.0° |
| C6 | C7 | C9 | 115.5° | 120.0° |
| C8 | C7 | C9 | 122.4° | 120.0° |
| C7 | C8 | H81 | 121.6° | 109.5° |
| C7 | C8 | H82 | 107.9° | 109.4° |
| C7 | C8 | H83 | 107.9° | 109.6° |
| C7 | C9 | C10 | 121.7° | 120.0° |
| C7 | C9 | H9 | 113.8° | 120.0° |
| H81 | C8 | H82 | 107.8° | 109.5° |
| H81 | C8 | H83 | 107.9° | 109.5° |
| H82 | C8 | H83 | 102.0° | 109.4° |
| C10 | C9 | H9 | 124.5° | 120.0° |
| C9 | C10 | C11 | 118.1° | 120.0° |
| C9 | C10 | H10 | 121.5° | 120.0° |
| C11 | C10 | H10 | 120.5° | 120.0° |
| C10 | C11 | C12 | 120.1° | 120.0° |
| C10 | C11 | H11 | 124.8° | 120.0° |
| C12 | C11 | H11 | 115.1° | 120.0° |
| C11 | C12 | C13 | 119.8° | 120.0° |
| C11 | C12 | C14 | 115.7° | 120.0° |
| C13 | C12 | C14 | 124.4° | 120.0° |
| C12 | C13 | H131 | 119.9° | 109.4° |
| C12 | C13 | H132 | 108.5° | 109.5° |
| C12 | C13 | H133 | 108.5° | 109.5° |
| C12 | C14 | C15 | 121.3° | 120.0° |
| C12 | C14 | H14 | 113.9° | 120.0° |
| H131 | C13 | H132 | 108.4° | 109.4° |
| H131 | C13 | H133 | 108.5° | 109.5° |
| H132 | C13 | H133 | 101.5° | 109.5° |
| C15 | C14 | H14 | 124.8° | 120.0° |
| C14 | C15 | C16 | 125.7° | 119.9° |
| C14 | C15 | H15 | 116.7° | 120.1° |
| C16 | C15 | H15 | 117.6° | 120.0° |
| C15 | C16 | C17 | 115.1° | 120.0° |
| C15 | C16 | H16 | 127.8° | 120.0° |
| C17 | C16 | H16 | 117.0° | 120.0° |
| C16 | C17 | C18 | 120.5° | 120.0° |
| C16 | C17 | C19 | 121.2° | 120.0° |
| C18 | C17 | C19 | 117.4° | 120.0° |
| C17 | C18 | H181 | 120.5° | 109.5° |
| C17 | C18 | H182 | 108.3° | 109.4° |
| C17 | C18 | H183 | 108.3° | 109.5° |
| C17 | C19 | C20 | 121.6° | 120.0° |
| C17 | C19 | H19 | 118.5° | 119.9° |
| H181 | C18 | H182 | 108.2° | 109.5° |
| H181 | C18 | H183 | 108.3° | 109.5° |
| H182 | C18 | H183 | 101.7° | 109.4° |
| C20 | C19 | H19 | 119.9° | 120.0° |
| C19 | C20 | C21 | 120.5° | 120.0° |
| C19 | C20 | H20 | 116.1° | 120.0° |
| C21 | C20 | H20 | 123.4° | 120.0° |
| C20 | C21 | C22 | 114.3° | 120.0° |
| C20 | C21 | H21 | 124.1° | 120.0° |
| C22 | C21 | H21 | 121.7° | 120.0° |
| C21 | C22 | C23 | 123.9° | 120.0° |
| C21 | C22 | H22 | 121.5° | 120.0° |
| C23 | C22 | H22 | 114.6° | 120.1° |
| C22 | C23 | C24 | 120.0° | 120.0° |
| C22 | C23 | C25 | 111.5° | 120.0° |
| C24 | C23 | C25 | 121.2° | 120.0° |
| C23 | C24 | H241 | 120.0° | 109.5° |
| C23 | C24 | H242 | 108.5° | 109.4° |
| C23 | C24 | H243 | 108.5° | 109.5° |
| C23 | C25 | C26 | 122.7° | 119.9° |
| C23 | C25 | H25 | 115.6° | 120.0° |
| H241 | C24 | H242 | 108.4° | 109.5° |
| H241 | C24 | H243 | 108.4° | 109.5° |
| H242 | C24 | H243 | 101.5° | 109.4° |
| C26 | C25 | H25 | 121.7° | 120.0° |
| C25 | C26 | C27 | 118.5° | 120.0° |
| C25 | C26 | H26 | 120.4° | 120.1° |
| C27 | C26 | H26 | 121.1° | 119.9° |
| C26 | C27 | C28 | 118.9° | 120.0° |
| C26 | C27 | H27 | 124.1° | 120.0° |
| C28 | C27 | H27 | 117.0° | 120.0° |
| C27 | C28 | C29 | 123.6° | 120.0° |
| C27 | C28 | C30 | 122.3° | 120.0° |
| C29 | C28 | C30 | 113.3° | 120.0° |
| C28 | C29 | H291 | 123.6° | 109.4° |
| C28 | C29 | H292 | 107.2° | 109.5° |
| C28 | C29 | H293 | 107.2° | 109.5° |
| C28 | C30 | C31 | 111.4° | 109.5° |
| C28 | C30 | H301 | 111.5° | 109.5° |
| C28 | C30 | H302 | 111.5° | 109.4° |
| H291 | C29 | H292 | 107.2° | 109.4° |
| H291 | C29 | H293 | 107.2° | 109.5° |
| H292 | C29 | H293 | 102.5° | 109.5° |
| C31 | C30 | H301 | 111.5° | 109.5° |
| C31 | C30 | H302 | 111.5° | 109.5° |
| C30 | C31 | C32 | 112.2° | 109.5° |
| C30 | C31 | H311 | 111.2° | 109.5° |
| C30 | C31 | H312 | 111.2° | 109.5° |
| H301 | C30 | H302 | 98.9° | 109.4° |
| C32 | C31 | H311 | 111.2° | 109.5° |
| C32 | C31 | H312 | 111.2° | 109.5° |
| C31 | C32 | C33 | 130.8° | 120.0° |
| C31 | C32 | H32 | 115.0° | 120.0° |
| H311 | C31 | H312 | 99.2° | 109.4° |
| C33 | C32 | H32 | 114.2° | 120.0° |
| C32 | C33 | C34 | 123.0° | 120.0° |
| C32 | C33 | C35 | 121.9° | 120.0° |
| C34 | C33 | C35 | 112.5° | 120.0° |
| C33 | C34 | H341 | 123.0° | 109.4° |
| C33 | C34 | H342 | 107.4° | 109.4° |
| C33 | C34 | H343 | 107.4° | 109.5° |
| C33 | C35 | C36 | 115.2° | 109.5° |
| C33 | C35 | H351 | 110.1° | 109.5° |
| C33 | C35 | H352 | 110.1° | 109.4° |
| H341 | C34 | H342 | 107.4° | 109.5° |
| H341 | C34 | H343 | 107.4° | 109.5° |
| H342 | C34 | H343 | 102.4° | 109.5° |
| C36 | C35 | H351 | 110.1° | 109.5° |
| C36 | C35 | H352 | 110.1° | 109.4° |
| C35 | C36 | C37 | 112.2° | 109.4° |
| C35 | C36 | H361 | 111.2° | 109.5° |
| C35 | C36 | H362 | 111.2° | 109.5° |
| H351 | C35 | H352 | 100.1° | 109.5° |
| C37 | C36 | H361 | 111.2° | 109.5° |
| C37 | C36 | H362 | 111.2° | 109.5° |
| C36 | C37 | C38 | 131.2° | 120.0° |
| C36 | C37 | H37 | 119.1° | 120.0° |
| H361 | C36 | H362 | 99.1° | 109.5° |
| C38 | C37 | H37 | 109.7° | 120.0° |
| C37 | C38 | C39 | 125.2° | 120.0° |
| C37 | C38 | C40 | 123.4° | 120.0° |
| C39 | C38 | C40 | 111.2° | 120.0° |
| C38 | C39 | H391 | 125.2° | 109.5° |
| C38 | C39 | H392 | 106.7° | 109.4° |
| C38 | C39 | H393 | 106.7° | 109.5° |
| C38 | C40 | H401 | 123.4° | 109.5° |
| C38 | C40 | H402 | 107.3° | 109.5° |
| C38 | C40 | H403 | 107.3° | 109.5° |
| H391 | C39 | H392 | 106.7° | 109.4° |
| H391 | C39 | H393 | 106.6° | 109.5° |
| H392 | C39 | H393 | 103.0° | 109.5° |
| H401 | C40 | H402 | 107.2° | 109.5° |
| H401 | C40 | H403 | 107.2° | 109.5° |
| H402 | C40 | H403 | 102.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | CM1 | HM11 | HM12 | 125.3° | 120.1° |
| O1 | CM1 | HM11 | HM13 | 125.3° | 120.0° |
| O1 | CM1 | HM12 | HM13 | 115.5° | 120.0° |
| CM1 | O1 | C1 | C2 | 158.8° | 62.5° |
| CM1 | O1 | C1 | C3 | 38.8° | 57.5° |
| CM1 | O1 | C1 | C4 | 83.0° | 177.5° |
| HM11 | CM1 | HM12 | HM13 | 115.3° | 120.0° |
| HM11 | CM1 | O1 | C1 | 180.0° | 63.0° |
| HM12 | CM1 | O1 | C1 | 54.7° | 177.0° |
| HM13 | CM1 | O1 | C1 | 54.8° | 57.0° |
| O1 | C1 | C2 | C3 | 119.4° | 120.0° |
| O1 | C1 | C2 | C4 | 119.4° | 120.1° |
| O1 | C1 | C3 | C4 | 121.2° | 120.1° |
| O1 | C1 | C2 | H21A | 180.0° | 48.5° |
| O1 | C1 | C2 | H22A | 54.7° | 71.5° |
| O1 | C1 | C2 | H23 | 54.8° | 168.5° |
| O1 | C1 | C3 | H31 | 180.0° | 51.8° |
| O1 | C1 | C3 | H32A | 54.7° | 171.8° |
| O1 | C1 | C3 | H33 | 54.7° | 68.2° |
| O1 | C1 | C4 | C5 | 73.8° | 60.0° |
| O1 | C1 | C4 | H41 | 51.4° | 180.0° |
| O1 | C1 | C4 | H42 | 160.9° | 60.0° |
| C2 | C1 | C3 | C4 | 119.3° | 119.9° |
| C1 | C2 | H21A | H22A | 125.3° | 119.9° |
| C1 | C2 | H21A | H23 | 125.2° | 120.0° |
| C1 | C2 | H22A | H23 | 118.3° | 120.0° |
| C2 | C1 | C3 | H31 | 60.5° | 171.8° |
| C2 | C1 | C3 | H32A | 64.8° | 68.2° |
| C2 | C1 | C3 | H33 | 174.2° | 51.8° |
| C2 | C1 | C4 | C5 | 167.3° | 60.1° |
| C2 | C1 | C4 | H41 | 67.4° | 59.9° |
| C2 | C1 | C4 | H42 | 42.1° | 180.0° |
| C3 | C1 | C2 | H21A | 60.6° | 168.4° |
| C3 | C1 | C2 | H22A | 174.1° | 48.5° |
| C3 | C1 | C2 | H23 | 64.6° | 71.5° |
| C1 | C3 | H31 | H32A | 125.3° | 120.0° |
| C1 | C3 | H31 | H33 | 125.3° | 120.0° |
| C1 | C3 | H32A | H33 | 118.4° | 120.0° |
| C3 | C1 | C4 | C5 | 46.8° | 180.0° |
| C3 | C1 | C4 | H41 | 172.0° | 60.0° |
| C3 | C1 | C4 | H42 | 78.5° | 60.0° |
| C4 | C1 | C2 | H21A | 60.6° | 71.6° |
| C4 | C1 | C2 | H22A | 64.7° | 168.4° |
| C4 | C1 | C2 | H23 | 174.2° | 48.4° |
| C4 | C1 | C3 | H31 | 58.8° | 68.3° |
| C4 | C1 | C3 | H32A | 175.9° | 51.7° |
| C4 | C1 | C3 | H33 | 66.5° | 171.7° |
| C1 | C4 | C5 | H41 | 125.2° | 120.0° |
| C1 | C4 | C5 | H42 | 125.2° | 120.0° |
| C1 | C4 | H41 | H42 | 116.6° | 120.0° |
| C1 | C4 | C5 | C6 | 138.6° | 120.0° |
| C1 | C4 | C5 | H5 | 41.3° | 59.9° |
| H21A | C2 | H22A | H23 | 118.3° | 120.1° |
| H31 | C3 | H32A | H33 | 118.2° | 119.9° |
| C5 | C4 | H41 | H42 | 116.6° | 120.0° |
| C4 | C5 | C6 | H5 | 180.0° | 179.9° |
| C4 | C5 | C6 | C7 | 146.3° | 180.0° |
| C4 | C5 | C6 | H6 | 33.7° | 0.1° |
| H41 | C4 | C5 | C6 | 96.1° | 0.0° |
| H41 | C4 | C5 | H5 | 83.9° | 179.9° |
| H42 | C4 | C5 | C6 | 13.4° | 120.0° |
| H42 | C4 | C5 | H5 | 166.6° | 60.0° |
| C5 | C6 | C7 | H6 | 180.0° | 179.9° |
| C5 | C6 | C7 | C8 | 8.9° | 0.1° |
| C5 | C6 | C7 | C9 | 179.1° | 180.0° |
| H5 | C5 | C6 | C7 | 33.7° | 0.1° |
| H5 | C5 | C6 | H6 | 146.3° | 180.0° |
| C6 | C7 | C8 | C9 | 171.4° | 180.0° |
| C6 | C7 | C8 | H81 | 179.9° | 92.1° |
| C6 | C7 | C8 | H82 | 54.8° | 147.9° |
| C6 | C7 | C8 | H83 | 54.7° | 28.0° |
| C6 | C7 | C9 | C10 | 177.0° | 173.9° |
| C6 | C7 | C9 | H9 | 3.0° | 6.0° |
| H6 | C6 | C7 | C8 | 171.2° | 180.0° |
| H6 | C6 | C7 | C9 | 0.8° | 0.1° |
| C7 | C8 | H81 | H82 | 125.2° | 120.0° |
| C7 | C8 | H81 | H83 | 125.3° | 120.1° |
| C7 | C8 | H82 | H83 | 113.5° | 120.1° |
| C8 | C7 | C9 | C10 | 11.2° | 6.0° |
| C8 | C7 | C9 | H9 | 168.9° | 174.0° |
| C9 | C7 | C8 | H81 | 8.7° | 87.9° |
| C9 | C7 | C8 | H82 | 133.8° | 32.1° |
| C9 | C7 | C8 | H83 | 116.7° | 152.0° |
| C7 | C9 | C10 | H9 | 179.9° | 180.0° |
| C7 | C9 | C10 | C11 | 170.2° | 174.8° |
| C7 | C9 | C10 | H10 | 9.8° | 5.2° |
| H81 | C8 | H82 | H83 | 113.5° | 119.9° |
| C9 | C10 | C11 | H10 | 179.9° | 180.0° |
| C9 | C10 | C11 | C12 | 169.9° | 179.9° |
| C9 | C10 | C11 | H11 | 10.0° | 0.1° |
| H9 | C9 | C10 | C11 | 9.7° | 5.2° |
| H9 | C9 | C10 | H10 | 170.3° | 174.8° |
| C10 | C11 | C12 | H11 | 179.9° | 179.9° |
| C10 | C11 | C12 | C13 | 4.9° | 0.1° |
| C10 | C11 | C12 | C14 | 178.8° | 179.9° |
| H10 | C10 | C11 | C12 | 10.1° | 0.1° |
| H10 | C10 | C11 | H11 | 170.0° | 179.9° |
| C11 | C12 | C13 | C14 | 176.0° | 180.0° |
| C11 | C12 | C13 | H131 | 179.9° | 88.0° |
| C11 | C12 | C13 | H132 | 54.8° | 31.9° |
| C11 | C12 | C13 | H133 | 54.7° | 151.9° |
| C11 | C12 | C14 | C15 | 178.5° | 177.1° |
| C11 | C12 | C14 | H14 | 1.6° | 2.8° |
| H11 | C11 | C12 | C13 | 175.1° | 180.0° |
| H11 | C11 | C12 | C14 | 1.2° | 0.0° |
| C12 | C13 | H131 | H132 | 125.2° | 119.9° |
| C12 | C13 | H131 | H133 | 125.4° | 120.0° |
| C12 | C13 | H132 | H133 | 114.2° | 120.1° |
| C13 | C12 | C14 | C15 | 5.4° | 2.9° |
| C13 | C12 | C14 | H14 | 174.6° | 177.2° |
| C14 | C12 | C13 | H131 | 4.0° | 92.0° |
| C14 | C12 | C13 | H132 | 121.2° | 148.1° |
| C14 | C12 | C13 | H133 | 129.3° | 28.0° |
| C12 | C14 | C15 | H14 | 179.9° | 179.9° |
| C12 | C14 | C15 | C16 | 173.1° | 175.0° |
| C12 | C14 | C15 | H15 | 6.9° | 4.9° |
| H131 | C13 | H132 | H133 | 114.2° | 120.0° |
| C14 | C15 | C16 | H15 | 180.0° | 179.9° |
| C14 | C15 | C16 | C17 | 179.9° | 180.0° |
| C14 | C15 | C16 | H16 | 0.1° | 0.1° |
| H14 | C14 | C15 | C16 | 7.0° | 5.1° |
| H14 | C14 | C15 | H15 | 173.0° | 175.0° |
| C15 | C16 | C17 | H16 | 180.0° | 180.0° |
| C15 | C16 | C17 | C18 | 12.2° | 0.0° |
| C15 | C16 | C17 | C19 | 179.0° | 180.0° |
| H15 | C15 | C16 | C17 | 0.1° | 0.0° |
| H15 | C15 | C16 | H16 | 179.9° | 180.0° |
| C16 | C17 | C18 | C19 | 169.1° | 179.9° |
| C16 | C17 | C18 | H181 | 179.9° | 180.0° |
| C16 | C17 | C18 | H182 | 54.8° | 60.0° |
| C16 | C17 | C18 | H183 | 54.7° | 59.9° |
| C16 | C17 | C19 | C20 | 0.6° | 0.1° |
| C16 | C17 | C19 | H19 | 179.4° | 180.0° |
| H16 | C16 | C17 | C18 | 167.8° | 179.9° |
| H16 | C16 | C17 | C19 | 0.9° | 0.0° |
| C17 | C18 | H181 | H182 | 125.2° | 120.0° |
| C17 | C18 | H181 | H183 | 125.3° | 120.1° |
| C17 | C18 | H182 | H183 | 113.9° | 120.0° |
| C18 | C17 | C19 | C20 | 168.5° | 180.0° |
| C18 | C17 | C19 | H19 | 11.6° | 0.1° |
| C19 | C17 | C18 | H181 | 10.9° | 0.1° |
| C19 | C17 | C18 | H182 | 136.1° | 120.1° |
| C19 | C17 | C18 | H183 | 114.4° | 120.0° |
| C17 | C19 | C20 | H19 | 180.0° | 179.9° |
| C17 | C19 | C20 | C21 | 160.1° | 180.0° |
| C17 | C19 | C20 | H20 | 20.0° | 0.1° |
| H181 | C18 | H182 | H183 | 113.9° | 120.0° |
| C19 | C20 | C21 | H20 | 180.0° | 180.0° |
| C19 | C20 | C21 | C22 | 158.0° | 180.0° |
| C19 | C20 | C21 | H21 | 22.1° | 0.0° |
| H19 | C19 | C20 | C21 | 20.0° | 0.0° |
| H19 | C19 | C20 | H20 | 160.0° | 180.0° |
| C20 | C21 | C22 | H21 | 180.0° | 180.0° |
| C20 | C21 | C22 | C23 | 133.7° | 180.0° |
| C20 | C21 | C22 | H22 | 46.3° | 0.0° |
| H20 | C20 | C21 | C22 | 22.1° | 0.0° |
| H20 | C20 | C21 | H21 | 157.9° | 180.0° |
| C21 | C22 | C23 | H22 | 180.0° | 180.0° |
| C21 | C22 | C23 | C24 | 37.0° | 0.1° |
| C21 | C22 | C23 | C25 | 172.5° | 180.0° |
| H21 | C21 | C22 | C23 | 46.2° | 0.0° |
| H21 | C21 | C22 | H22 | 133.8° | 180.0° |
| C22 | C23 | C24 | C25 | 147.6° | 179.9° |
| C22 | C23 | C24 | H241 | 180.0° | 174.8° |
| C22 | C23 | C24 | H242 | 54.7° | 54.8° |
| C22 | C23 | C24 | H243 | 54.7° | 65.1° |
| C22 | C23 | C25 | C26 | 173.9° | 174.8° |
| C22 | C23 | C25 | H25 | 6.1° | 5.2° |
| H22 | C22 | C23 | C24 | 143.0° | 180.0° |
| H22 | C22 | C23 | C25 | 7.5° | 0.1° |
| C23 | C24 | H241 | H242 | 125.2° | 120.0° |
| C23 | C24 | H241 | H243 | 125.3° | 120.1° |
| C23 | C24 | H242 | H243 | 114.1° | 120.0° |
| C24 | C23 | C25 | C26 | 36.0° | 5.3° |
| C24 | C23 | C25 | H25 | 144.0° | 174.7° |
| C25 | C23 | C24 | H241 | 32.4° | 5.3° |
| C25 | C23 | C24 | H242 | 157.7° | 125.3° |
| C25 | C23 | C24 | H243 | 92.9° | 114.8° |
| C23 | C25 | C26 | H25 | 180.0° | 179.9° |
| C23 | C25 | C26 | C27 | 163.7° | 174.2° |
| C23 | C25 | C26 | H26 | 16.3° | 5.8° |
| H241 | C24 | H242 | H243 | 114.1° | 120.0° |
| C25 | C26 | C27 | H26 | 179.9° | 180.0° |
| C25 | C26 | C27 | C28 | 173.1° | 175.1° |
| C25 | C26 | C27 | H27 | 7.0° | 4.9° |
| H25 | C25 | C26 | C27 | 16.4° | 5.7° |
| H25 | C25 | C26 | H26 | 163.7° | 174.3° |
| C26 | C27 | C28 | H27 | 180.0° | 179.9° |
| C26 | C27 | C28 | C29 | 14.8° | 6.8° |
| C26 | C27 | C28 | C30 | 176.4° | 173.2° |
| H26 | C26 | C27 | C28 | 7.0° | 4.9° |
| H26 | C26 | C27 | H27 | 173.0° | 175.1° |
| C27 | C28 | C29 | C30 | 169.7° | 180.0° |
| C27 | C28 | C29 | H291 | 180.0° | 4.7° |
| C27 | C28 | C29 | H292 | 54.7° | 115.3° |
| C27 | C28 | C29 | H293 | 54.7° | 124.7° |
| C27 | C28 | C30 | C31 | 76.4° | 90.0° |
| C27 | C28 | C30 | H301 | 48.9° | 150.0° |
| C27 | C28 | C30 | H302 | 158.3° | 30.0° |
| H27 | C27 | C28 | C29 | 165.2° | 173.2° |
| H27 | C27 | C28 | C30 | 3.6° | 6.9° |
| C28 | C29 | H291 | H292 | 125.3° | 120.0° |
| C28 | C29 | H291 | H293 | 125.3° | 120.1° |
| C28 | C29 | H292 | H293 | 112.7° | 120.1° |
| C29 | C28 | C30 | C31 | 113.8° | 90.0° |
| C29 | C28 | C30 | H301 | 121.0° | 30.0° |
| C29 | C28 | C30 | H302 | 11.5° | 149.9° |
| C30 | C28 | C29 | H291 | 10.3° | 175.4° |
| C30 | C28 | C29 | H292 | 115.0° | 64.7° |
| C30 | C28 | C29 | H293 | 135.6° | 55.3° |
| C28 | C30 | C31 | H301 | 125.2° | 120.0° |
| C28 | C30 | C31 | H302 | 125.2° | 120.0° |
| C28 | C30 | H301 | H302 | 117.3° | 120.0° |
| C28 | C30 | C31 | C32 | 157.3° | 180.0° |
| C28 | C30 | C31 | H311 | 32.1° | 60.0° |
| C28 | C30 | C31 | H312 | 77.4° | 60.0° |
| H291 | C29 | H292 | H293 | 112.7° | 120.0° |
| C31 | C30 | H301 | H302 | 117.4° | 120.0° |
| C30 | C31 | C32 | H311 | 125.2° | 120.0° |
| C30 | C31 | C32 | H312 | 125.2° | 120.0° |
| C30 | C31 | H311 | H312 | 117.1° | 120.0° |
| C30 | C31 | C32 | C33 | 132.1° | 128.5° |
| C30 | C31 | C32 | H32 | 47.9° | 51.5° |
| H301 | C30 | C31 | C32 | 77.5° | 59.9° |
| H301 | C30 | C31 | H311 | 157.3° | 180.0° |
| H301 | C30 | C31 | H312 | 47.8° | 60.0° |
| H302 | C30 | C31 | C32 | 32.1° | 60.0° |
| H302 | C30 | C31 | H311 | 93.2° | 60.0° |
| H302 | C30 | C31 | H312 | 157.3° | 180.0° |
| C32 | C31 | H311 | H312 | 117.1° | 120.0° |
| C31 | C32 | C33 | H32 | 180.0° | 180.0° |
| C31 | C32 | C33 | C34 | 19.3° | 8.3° |
| C31 | C32 | C33 | C35 | 180.0° | 171.6° |
| H311 | C31 | C32 | C33 | 102.7° | 8.5° |
| H311 | C31 | C32 | H32 | 77.3° | 171.5° |
| H312 | C31 | C32 | C33 | 6.8° | 111.5° |
| H312 | C31 | C32 | H32 | 173.2° | 68.5° |
| C32 | C33 | C34 | C35 | 162.3° | 179.9° |
| C32 | C33 | C34 | H341 | 180.0° | 5.6° |
| C32 | C33 | C34 | H342 | 54.7° | 125.6° |
| C32 | C33 | C34 | H343 | 54.7° | 114.4° |
| C32 | C33 | C35 | C36 | 120.5° | 90.0° |
| C32 | C33 | C35 | H351 | 4.7° | 150.0° |
| C32 | C33 | C35 | H352 | 114.2° | 30.0° |
| H32 | C32 | C33 | C34 | 160.7° | 171.7° |
| H32 | C32 | C33 | C35 | 0.0° | 8.4° |
| C33 | C34 | H341 | H342 | 125.3° | 119.9° |
| C33 | C34 | H341 | H343 | 125.3° | 120.0° |
| C33 | C34 | H342 | H343 | 112.9° | 120.0° |
| C34 | C33 | C35 | C36 | 76.9° | 90.0° |
| C34 | C33 | C35 | H351 | 157.8° | 30.0° |
| C34 | C33 | C35 | H352 | 48.3° | 150.1° |
| C35 | C33 | C34 | H341 | 17.7° | 174.4° |
| C35 | C33 | C34 | H342 | 107.6° | 54.5° |
| C35 | C33 | C34 | H343 | 143.0° | 65.5° |
| C33 | C35 | C36 | H351 | 125.2° | 120.0° |
| C33 | C35 | C36 | H352 | 125.3° | 119.9° |
| C33 | C35 | H351 | H352 | 115.9° | 120.0° |
| C33 | C35 | C36 | C37 | 160.1° | 180.0° |
| C33 | C35 | C36 | H361 | 74.6° | 60.0° |
| C33 | C35 | C36 | H362 | 34.9° | 60.0° |
| H341 | C34 | H342 | H343 | 112.9° | 120.1° |
| C36 | C35 | H351 | H352 | 115.9° | 120.0° |
| C35 | C36 | C37 | H361 | 125.3° | 120.0° |
| C35 | C36 | C37 | H362 | 125.2° | 120.0° |
| C35 | C36 | H361 | H362 | 117.1° | 120.0° |
| C35 | C36 | C37 | C38 | 63.0° | 116.1° |
| C35 | C36 | C37 | H37 | 117.1° | 63.9° |
| H351 | C35 | C36 | C37 | 34.9° | 60.0° |
| H351 | C35 | C36 | H361 | 160.1° | 179.9° |
| H351 | C35 | C36 | H362 | 90.4° | 60.0° |
| H352 | C35 | C36 | C37 | 74.6° | 60.0° |
| H352 | C35 | C36 | H361 | 50.7° | 59.9° |
| H352 | C35 | C36 | H362 | 160.2° | 179.9° |
| C37 | C36 | H361 | H362 | 117.1° | 120.0° |
| C36 | C37 | C38 | H37 | 180.0° | 179.9° |
| C36 | C37 | C38 | C39 | 91.1° | 171.5° |
| C36 | C37 | C38 | C40 | 83.4° | 8.6° |
| H361 | C36 | C37 | C38 | 171.8° | 3.8° |
| H361 | C36 | C37 | H37 | 8.2° | 176.1° |
| H362 | C36 | C37 | C38 | 62.3° | 123.9° |
| H362 | C36 | C37 | H37 | 117.7° | 56.1° |
| C37 | C38 | C39 | C40 | 175.1° | 180.0° |
| C37 | C38 | C39 | H391 | 180.0° | 180.0° |
| C37 | C38 | C39 | H392 | 54.8° | 60.0° |
| C37 | C38 | C39 | H393 | 54.8° | 60.0° |
| C37 | C38 | C40 | H401 | 180.0° | 6.3° |
| C37 | C38 | C40 | H402 | 54.8° | 113.7° |
| C37 | C38 | C40 | H403 | 54.8° | 126.3° |
| H37 | C37 | C38 | C39 | 88.9° | 8.4° |
| H37 | C37 | C38 | C40 | 96.6° | 171.5° |
| C38 | C39 | H391 | H392 | 125.3° | 119.9° |
| C38 | C39 | H391 | H393 | 125.2° | 120.1° |
| C38 | C39 | H392 | H393 | 112.1° | 120.0° |
| C39 | C38 | C40 | H401 | 4.8° | 173.7° |
| C39 | C38 | C40 | H402 | 120.4° | 66.4° |
| C39 | C38 | C40 | H403 | 130.1° | 53.7° |
| C40 | C38 | C39 | H391 | 4.9° | 0.0° |
| C40 | C38 | C39 | H392 | 130.2° | 120.0° |
| C40 | C38 | C39 | H393 | 120.3° | 120.0° |
| C38 | C40 | H401 | H402 | 125.2° | 120.0° |
| C38 | C40 | H401 | H403 | 125.3° | 120.0° |
| C38 | C40 | H402 | H403 | 112.8° | 120.0° |
| H391 | C39 | H392 | H393 | 112.1° | 120.0° |
| H401 | C40 | H402 | H403 | 112.7° | 120.0° |
