7OT
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CM1 | O1 | sing | 1.43Å | 1.42Å | |
| C2 | C1 | sing | 1.53Å | 1.52Å | |
| O1 | C1 | sing | 1.43Å | 1.45Å | |
| C3 | C1 | sing | 1.53Å | 1.52Å | |
| C1 | C4 | sing | 1.53Å | 1.53Å | |
| C4 | C5 | sing | 1.51Å | 1.50Å | |
| C5 | C6 | doub | 1.34Å | 1.32Å | |
| C6 | C7 | sing | 1.42Å | 1.45Å | |
| C8 | C7 | sing | 1.51Å | 1.50Å | |
| C7 | C9 | doub | 1.36Å | 1.35Å | |
| C9 | C10 | sing | 1.41Å | 1.43Å | |
| C10 | C11 | doub | 1.36Å | 1.33Å | |
| C11 | C12 | sing | 1.40Å | 1.45Å | |
| C12 | C13 | sing | 1.51Å | 1.50Å | |
| C12 | C14 | doub | 1.38Å | 1.35Å | |
| C14 | C15 | sing | 1.40Å | 1.43Å | |
| C15 | C16 | doub | 1.38Å | 1.34Å | |
| C16 | C17 | sing | 1.40Å | 1.45Å | |
| C17 | C19 | doub | 1.38Å | 1.35Å | |
| C17 | C18 | sing | 1.51Å | 1.50Å | |
| C19 | C20 | sing | 1.40Å | 1.43Å | |
| C20 | C21 | doub | 1.38Å | 1.35Å | |
| C21 | C22 | sing | 1.40Å | 1.43Å | |
| C24 | C23 | sing | 1.51Å | 1.50Å | |
| C22 | C23 | doub | 1.37Å | 1.35Å | |
| C23 | C25 | sing | 1.41Å | 1.45Å | |
| C25 | C26 | doub | 1.36Å | 1.34Å | |
| C26 | C27 | sing | 1.42Å | 1.43Å | |
| C27 | C28 | doub | 1.34Å | 1.34Å | |
| C29 | C28 | sing | 1.51Å | 1.50Å | |
| C28 | C30 | sing | 1.51Å | 1.51Å | |
| C30 | C31 | sing | 1.53Å | 1.54Å | |
| C31 | C32 | sing | 1.51Å | 1.50Å | |
| C34 | C33 | sing | 1.51Å | 1.50Å | |
| C32 | C33 | doub | 1.31Å | 1.33Å | |
| C33 | C35 | sing | 1.51Å | 1.51Å | |
| C35 | C36 | sing | 1.53Å | 1.54Å | |
| C36 | C37 | sing | 1.51Å | 1.50Å | |
| C37 | C38 | doub | 1.31Å | 1.32Å | |
| C39 | C38 | sing | 1.51Å | 1.50Å | |
| C38 | C40 | sing | 1.51Å | 1.50Å | |
| CM1 | HM11 | sing | 1.09Å | 1.10Å | |
| CM1 | HM12 | sing | 1.09Å | 1.10Å | |
| CM1 | HM13 | sing | 1.09Å | 1.10Å | |
| C2 | H21A | sing | 1.09Å | 1.10Å | |
| C2 | H22A | sing | 1.09Å | 1.10Å | |
| C2 | H14 | sing | 1.09Å | 1.10Å | |
| C3 | H21 | sing | 1.09Å | 1.10Å | |
| C3 | H32A | sing | 1.09Å | 1.10Å | |
| C3 | H241 | sing | 1.09Å | 1.10Å | |
| C4 | H293 | sing | 1.09Å | 1.10Å | |
| C4 | H301 | sing | 1.09Å | 1.10Å | |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C8 | H81 | sing | 1.09Å | 1.10Å | |
| C8 | H82 | sing | 1.09Å | 1.10Å | |
| C8 | H83 | sing | 1.09Å | 1.10Å | |
| C9 | H9 | sing | 1.08Å | 1.08Å | |
| C10 | H10 | sing | 1.08Å | 1.08Å | |
| C11 | H11 | sing | 1.08Å | 1.08Å | |
| C13 | H131 | sing | 1.09Å | 1.10Å | |
| C13 | H132 | sing | 1.09Å | 1.10Å | |
| C13 | H133 | sing | 1.09Å | 1.10Å | |
| C14 | H1 | sing | 1.08Å | 1.08Å | |
| C15 | H15 | sing | 1.08Å | 1.08Å | |
| C16 | H16 | sing | 1.08Å | 1.08Å | |
| C18 | H181 | sing | 1.09Å | 1.10Å | |
| C18 | H182 | sing | 1.09Å | 1.10Å | |
| C18 | H183 | sing | 1.09Å | 1.10Å | |
| C19 | H19 | sing | 1.08Å | 1.08Å | |
| C20 | H20 | sing | 1.08Å | 1.08Å | |
| C21 | H2 | sing | 1.08Å | 1.08Å | |
| C22 | H22 | sing | 1.08Å | 1.08Å | |
| C24 | H3 | sing | 1.09Å | 1.10Å | |
| C24 | H242 | sing | 1.09Å | 1.10Å | |
| C24 | H243 | sing | 1.09Å | 1.10Å | |
| C25 | H25 | sing | 1.08Å | 1.08Å | |
| C26 | H26 | sing | 1.08Å | 1.08Å | |
| C27 | H27 | sing | 1.08Å | 1.08Å | |
| C29 | H291 | sing | 1.09Å | 1.10Å | |
| C29 | H292 | sing | 1.09Å | 1.10Å | |
| C29 | H4 | sing | 1.09Å | 1.10Å | |
| C30 | H7 | sing | 1.09Å | 1.10Å | |
| C30 | H302 | sing | 1.09Å | 1.10Å | |
| C31 | H311 | sing | 1.09Å | 1.10Å | |
| C31 | H312 | sing | 1.09Å | 1.10Å | |
| C32 | H32 | sing | 1.08Å | 1.08Å | |
| C34 | H341 | sing | 1.09Å | 1.10Å | |
| C34 | H342 | sing | 1.09Å | 1.10Å | |
| C34 | H343 | sing | 1.09Å | 1.10Å | |
| C35 | H351 | sing | 1.09Å | 1.10Å | |
| C35 | H352 | sing | 1.09Å | 1.10Å | |
| C36 | H361 | sing | 1.09Å | 1.10Å | |
| C36 | H362 | sing | 1.09Å | 1.10Å | |
| C37 | H37 | sing | 1.08Å | 1.08Å | |
| C39 | H391 | sing | 1.09Å | 1.10Å | |
| C39 | H392 | sing | 1.09Å | 1.10Å | |
| C39 | H393 | sing | 1.09Å | 1.10Å | |
| C40 | H401 | sing | 1.09Å | 1.10Å | |
| C40 | H402 | sing | 1.09Å | 1.10Å | |
| C40 | H403 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CM1 | O1 | C1 | 117.2° | 114.1° |
| O1 | CM1 | HM11 | 109.5° | 109.5° |
| O1 | CM1 | HM12 | 109.5° | 109.5° |
| O1 | CM1 | HM13 | 109.4° | 109.4° |
| C2 | C1 | O1 | 107.5° | 109.4° |
| C2 | C1 | C3 | 111.2° | 109.4° |
| C2 | C1 | C4 | 107.9° | 109.5° |
| C1 | C2 | H21A | 109.5° | 109.5° |
| C1 | C2 | H22A | 109.5° | 109.5° |
| C1 | C2 | H14 | 109.5° | 109.4° |
| O1 | C1 | C3 | 111.5° | 109.5° |
| O1 | C1 | C4 | 108.2° | 109.5° |
| C3 | C1 | C4 | 110.5° | 109.5° |
| C1 | C3 | H21 | 109.5° | 109.4° |
| C1 | C3 | H32A | 109.5° | 109.5° |
| C1 | C3 | H241 | 109.5° | 109.5° |
| C1 | C4 | C5 | 113.8° | 109.5° |
| C1 | C4 | H293 | 108.4° | 109.4° |
| C1 | C4 | H301 | 108.4° | 109.5° |
| C4 | C5 | C6 | 124.2° | 120.0° |
| C5 | C4 | H293 | 108.4° | 109.5° |
| C5 | C4 | H301 | 108.4° | 109.5° |
| C4 | C5 | H5 | 117.9° | 120.0° |
| C5 | C6 | C7 | 126.9° | 120.0° |
| C6 | C5 | H5 | 117.9° | 120.0° |
| C5 | C6 | H6 | 116.6° | 120.0° |
| C6 | C7 | C8 | 118.0° | 120.0° |
| C6 | C7 | C9 | 118.7° | 120.0° |
| C7 | C6 | H6 | 116.6° | 120.0° |
| C8 | C7 | C9 | 122.9° | 120.0° |
| C7 | C8 | H81 | 109.5° | 109.5° |
| C7 | C8 | H82 | 109.5° | 109.5° |
| C7 | C8 | H83 | 109.5° | 109.5° |
| C7 | C9 | C10 | 128.1° | 120.0° |
| C7 | C9 | H9 | 115.9° | 120.0° |
| C9 | C10 | C11 | 121.1° | 120.0° |
| C10 | C9 | H9 | 116.0° | 120.0° |
| C9 | C10 | H10 | 119.5° | 120.0° |
| C10 | C11 | C12 | 128.4° | 120.0° |
| C11 | C10 | H10 | 119.4° | 120.0° |
| C10 | C11 | H11 | 115.8° | 120.0° |
| C11 | C12 | C13 | 118.2° | 120.0° |
| C11 | C12 | C14 | 118.4° | 120.0° |
| C12 | C11 | H11 | 115.8° | 120.0° |
| C13 | C12 | C14 | 123.2° | 120.0° |
| C12 | C13 | H131 | 109.5° | 109.5° |
| C12 | C13 | H132 | 109.4° | 109.5° |
| C12 | C13 | H133 | 109.5° | 109.4° |
| C12 | C14 | C15 | 128.2° | 120.0° |
| C12 | C14 | H1 | 115.9° | 120.0° |
| C14 | C15 | C16 | 122.7° | 120.0° |
| C15 | C14 | H1 | 115.9° | 120.0° |
| C14 | C15 | H15 | 118.7° | 120.0° |
| C15 | C16 | C17 | 127.1° | 120.0° |
| C16 | C15 | H15 | 118.6° | 120.0° |
| C15 | C16 | H16 | 116.5° | 120.0° |
| C16 | C17 | C19 | 118.7° | 120.0° |
| C16 | C17 | C18 | 118.1° | 120.0° |
| C17 | C16 | H16 | 116.4° | 120.0° |
| C19 | C17 | C18 | 123.1° | 120.0° |
| C17 | C19 | C20 | 127.9° | 120.0° |
| C17 | C19 | H19 | 116.0° | 120.0° |
| C17 | C18 | H181 | 109.5° | 109.5° |
| C17 | C18 | H182 | 109.5° | 109.5° |
| C17 | C18 | H183 | 109.5° | 109.5° |
| C19 | C20 | C21 | 122.9° | 120.0° |
| C20 | C19 | H19 | 116.1° | 120.0° |
| C19 | C20 | H20 | 118.5° | 120.0° |
| C20 | C21 | C22 | 123.7° | 120.0° |
| C21 | C20 | H20 | 118.5° | 120.0° |
| C20 | C21 | H2 | 118.2° | 120.1° |
| C21 | C22 | C23 | 127.6° | 120.0° |
| C22 | C21 | H2 | 118.1° | 120.0° |
| C21 | C22 | H22 | 116.2° | 120.0° |
| C24 | C23 | C22 | 122.8° | 120.0° |
| C24 | C23 | C25 | 118.0° | 120.0° |
| C23 | C24 | H3 | 109.5° | 109.4° |
| C23 | C24 | H242 | 109.5° | 109.5° |
| C23 | C24 | H243 | 109.4° | 109.5° |
| C22 | C23 | C25 | 119.3° | 120.0° |
| C23 | C22 | H22 | 116.2° | 120.0° |
| C23 | C25 | C26 | 127.0° | 120.0° |
| C23 | C25 | H25 | 116.5° | 120.0° |
| C25 | C26 | C27 | 123.7° | 120.0° |
| C26 | C25 | H25 | 116.5° | 120.0° |
| C25 | C26 | H26 | 118.2° | 120.0° |
| C26 | C27 | C28 | 128.0° | 120.0° |
| C27 | C26 | H26 | 118.1° | 120.0° |
| C26 | C27 | H27 | 116.0° | 120.0° |
| C27 | C28 | C29 | 123.1° | 120.0° |
| C27 | C28 | C30 | 121.6° | 120.0° |
| C28 | C27 | H27 | 116.0° | 120.0° |
| C29 | C28 | C30 | 115.3° | 120.0° |
| C28 | C29 | H291 | 109.5° | 109.5° |
| C28 | C29 | H292 | 109.4° | 109.5° |
| C28 | C29 | H4 | 109.5° | 109.5° |
| C28 | C30 | C31 | 110.5° | 109.5° |
| C28 | C30 | H7 | 109.2° | 109.5° |
| C28 | C30 | H302 | 109.2° | 109.5° |
| C30 | C31 | C32 | 113.6° | 109.4° |
| C31 | C30 | H7 | 109.2° | 109.5° |
| C31 | C30 | H302 | 109.2° | 109.5° |
| C30 | C31 | H311 | 108.4° | 109.4° |
| C30 | C31 | H312 | 108.4° | 109.5° |
| C31 | C32 | C33 | 127.2° | 120.0° |
| C32 | C31 | H311 | 108.4° | 109.5° |
| C32 | C31 | H312 | 108.4° | 109.5° |
| C31 | C32 | H32 | 116.4° | 120.0° |
| C34 | C33 | C32 | 123.4° | 120.0° |
| C34 | C33 | C35 | 115.0° | 120.0° |
| C33 | C34 | H341 | 109.5° | 109.5° |
| C33 | C34 | H342 | 109.5° | 109.5° |
| C33 | C34 | H343 | 109.5° | 109.5° |
| C32 | C33 | C35 | 121.5° | 120.0° |
| C33 | C32 | H32 | 116.4° | 120.0° |
| C33 | C35 | C36 | 116.4° | 109.5° |
| C33 | C35 | H351 | 107.7° | 109.5° |
| C33 | C35 | H352 | 107.7° | 109.5° |
| C35 | C36 | C37 | 110.3° | 109.5° |
| C36 | C35 | H351 | 107.7° | 109.4° |
| C36 | C35 | H352 | 107.7° | 109.5° |
| C35 | C36 | H361 | 109.3° | 109.5° |
| C35 | C36 | H362 | 109.3° | 109.5° |
| C36 | C37 | C38 | 128.7° | 120.0° |
| C37 | C36 | H361 | 109.3° | 109.4° |
| C37 | C36 | H362 | 109.3° | 109.5° |
| C36 | C37 | H37 | 115.7° | 120.0° |
| C37 | C38 | C39 | 122.8° | 120.0° |
| C37 | C38 | C40 | 122.6° | 120.0° |
| C38 | C37 | H37 | 115.6° | 120.0° |
| C39 | C38 | C40 | 114.6° | 120.0° |
| C38 | C39 | H391 | 109.5° | 109.4° |
| C38 | C39 | H392 | 109.5° | 109.5° |
| C38 | C39 | H393 | 109.5° | 109.5° |
| C38 | C40 | H401 | 109.5° | 109.5° |
| C38 | C40 | H402 | 109.5° | 109.4° |
| C38 | C40 | H403 | 109.5° | 109.4° |
| HM11 | CM1 | HM12 | 109.4° | 109.5° |
| HM11 | CM1 | HM13 | 109.5° | 109.4° |
| HM12 | CM1 | HM13 | 109.5° | 109.5° |
| H21A | C2 | H22A | 109.5° | 109.5° |
| H21A | C2 | H14 | 109.5° | 109.5° |
| H22A | C2 | H14 | 109.5° | 109.5° |
| H21 | C3 | H32A | 109.5° | 109.4° |
| H21 | C3 | H241 | 109.5° | 109.5° |
| H32A | C3 | H241 | 109.5° | 109.6° |
| H293 | C4 | H301 | 109.5° | 109.4° |
| H81 | C8 | H82 | 109.4° | 109.5° |
| H81 | C8 | H83 | 109.5° | 109.4° |
| H82 | C8 | H83 | 109.5° | 109.4° |
| H131 | C13 | H132 | 109.5° | 109.5° |
| H131 | C13 | H133 | 109.4° | 109.5° |
| H132 | C13 | H133 | 109.5° | 109.5° |
| H181 | C18 | H182 | 109.4° | 109.4° |
| H181 | C18 | H183 | 109.5° | 109.5° |
| H182 | C18 | H183 | 109.5° | 109.4° |
| H3 | C24 | H242 | 109.5° | 109.5° |
| H3 | C24 | H243 | 109.5° | 109.5° |
| H242 | C24 | H243 | 109.5° | 109.5° |
| H291 | C29 | H292 | 109.5° | 109.5° |
| H291 | C29 | H4 | 109.5° | 109.5° |
| H292 | C29 | H4 | 109.5° | 109.5° |
| H7 | C30 | H302 | 109.4° | 109.5° |
| H311 | C31 | H312 | 109.5° | 109.5° |
| H341 | C34 | H342 | 109.5° | 109.5° |
| H341 | C34 | H343 | 109.4° | 109.5° |
| H342 | C34 | H343 | 109.5° | 109.4° |
| H351 | C35 | H352 | 109.5° | 109.5° |
| H361 | C36 | H362 | 109.4° | 109.5° |
| H391 | C39 | H392 | 109.5° | 109.5° |
| H391 | C39 | H393 | 109.5° | 109.5° |
| H392 | C39 | H393 | 109.5° | 109.4° |
| H401 | C40 | H402 | 109.5° | 109.5° |
| H401 | C40 | H403 | 109.4° | 109.5° |
| H402 | C40 | H403 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CM1 | O1 | C1 | C2 | 77.2° | 59.9° |
| CM1 | O1 | C1 | C3 | 44.8° | 60.0° |
| CM1 | O1 | C1 | C4 | 166.5° | 179.9° |
| O1 | CM1 | HM11 | HM12 | 120.0° | 120.1° |
| O1 | CM1 | HM11 | HM13 | 120.0° | 120.0° |
| O1 | CM1 | HM12 | HM13 | 120.0° | 120.0° |
| C2 | C1 | O1 | C3 | 122.1° | 119.9° |
| C2 | C1 | O1 | C4 | 116.2° | 120.0° |
| C2 | C1 | C3 | C4 | 119.8° | 120.0° |
| C2 | C1 | C4 | C5 | 177.4° | 55.0° |
| C1 | C2 | H21A | H22A | 120.0° | 120.0° |
| C1 | C2 | H21A | H14 | 120.0° | 120.0° |
| C1 | C2 | H22A | H14 | 120.0° | 119.9° |
| C2 | C1 | C3 | H21 | 180.0° | 180.0° |
| C2 | C1 | C3 | H32A | 60.0° | 60.1° |
| C2 | C1 | C3 | H241 | 60.0° | 60.0° |
| C2 | C1 | C4 | H293 | 62.0° | 65.1° |
| C2 | C1 | C4 | H301 | 56.7° | 175.0° |
| O1 | C1 | C3 | C4 | 120.4° | 120.1° |
| O1 | C1 | C4 | C5 | 66.7° | 65.0° |
| C1 | O1 | CM1 | HM11 | 180.0° | 60.0° |
| C1 | O1 | CM1 | HM12 | 60.0° | 180.0° |
| C1 | O1 | CM1 | HM13 | 60.0° | 60.0° |
| O1 | C1 | C2 | H21A | 180.0° | 60.0° |
| O1 | C1 | C2 | H22A | 60.0° | 180.0° |
| O1 | C1 | C2 | H14 | 60.0° | 60.1° |
| O1 | C1 | C3 | H21 | 60.1° | 60.1° |
| O1 | C1 | C3 | H32A | 179.9° | 180.0° |
| O1 | C1 | C3 | H241 | 59.9° | 59.9° |
| O1 | C1 | C4 | H293 | 54.0° | 175.0° |
| O1 | C1 | C4 | H301 | 172.7° | 55.1° |
| C3 | C1 | C4 | C5 | 55.6° | 175.0° |
| C3 | C1 | C2 | H21A | 57.8° | 59.9° |
| C3 | C1 | C2 | H22A | 177.8° | 60.1° |
| C3 | C1 | C2 | H14 | 62.3° | 180.0° |
| C1 | C3 | H21 | H32A | 120.0° | 119.9° |
| C1 | C3 | H21 | H241 | 120.0° | 120.0° |
| C1 | C3 | H32A | H241 | 120.0° | 120.1° |
| C3 | C1 | C4 | H293 | 176.3° | 54.9° |
| C3 | C1 | C4 | H301 | 65.0° | 65.0° |
| C1 | C4 | C5 | H293 | 120.6° | 120.0° |
| C1 | C4 | C5 | H301 | 120.6° | 120.0° |
| C1 | C4 | C5 | C6 | 115.5° | 125.0° |
| C4 | C1 | C2 | H21A | 63.5° | 180.0° |
| C4 | C1 | C2 | H22A | 56.4° | 60.0° |
| C4 | C1 | C2 | H14 | 176.4° | 59.9° |
| C4 | C1 | C3 | H21 | 60.2° | 60.0° |
| C4 | C1 | C3 | H32A | 59.8° | 59.9° |
| C4 | C1 | C3 | H241 | 179.7° | 180.0° |
| C1 | C4 | H293 | H301 | 118.0° | 119.9° |
| C1 | C4 | C5 | H5 | 64.5° | 55.0° |
| C4 | C5 | C6 | H5 | 180.0° | 179.9° |
| C4 | C5 | C6 | C7 | 178.2° | 180.0° |
| C5 | C4 | H293 | H301 | 118.0° | 120.0° |
| C4 | C5 | C6 | H6 | 1.8° | 0.0° |
| C5 | C6 | C7 | H6 | 180.0° | 180.0° |
| C5 | C6 | C7 | C8 | 14.8° | 0.1° |
| C5 | C6 | C7 | C9 | 171.6° | 180.0° |
| C6 | C5 | C4 | H293 | 123.9° | 5.1° |
| C6 | C5 | C4 | H301 | 5.2° | 114.9° |
| C6 | C7 | C8 | C9 | 173.3° | 180.0° |
| C6 | C7 | C9 | C10 | 175.2° | 180.0° |
| C7 | C6 | C5 | H5 | 1.8° | 0.1° |
| C6 | C7 | C8 | H81 | 180.0° | 90.0° |
| C6 | C7 | C8 | H82 | 60.0° | 150.0° |
| C6 | C7 | C8 | H83 | 60.0° | 30.0° |
| C6 | C7 | C9 | H9 | 4.8° | 0.0° |
| C8 | C7 | C9 | C10 | 2.0° | 0.0° |
| C8 | C7 | C6 | H6 | 165.2° | 180.0° |
| C7 | C8 | H81 | H82 | 120.0° | 120.1° |
| C7 | C8 | H81 | H83 | 120.0° | 120.0° |
| C7 | C8 | H82 | H83 | 120.0° | 120.0° |
| C8 | C7 | C9 | H9 | 178.0° | 180.0° |
| C7 | C9 | C10 | H9 | 180.0° | 180.0° |
| C7 | C9 | C10 | C11 | 177.8° | 180.0° |
| C9 | C7 | C6 | H6 | 8.4° | 0.0° |
| C9 | C7 | C8 | H81 | 6.7° | 90.1° |
| C9 | C7 | C8 | H82 | 126.7° | 30.0° |
| C9 | C7 | C8 | H83 | 113.3° | 150.0° |
| C7 | C9 | C10 | H10 | 2.2° | 0.0° |
| C9 | C10 | C11 | H10 | 180.0° | 179.9° |
| C9 | C10 | C11 | C12 | 175.3° | 180.0° |
| C9 | C10 | C11 | H11 | 4.7° | 0.1° |
| C10 | C11 | C12 | H11 | 180.0° | 180.0° |
| C10 | C11 | C12 | C13 | 6.9° | 0.0° |
| C10 | C11 | C12 | C14 | 178.3° | 179.9° |
| C11 | C10 | C9 | H9 | 2.2° | 0.1° |
| C11 | C12 | C13 | C14 | 174.6° | 179.9° |
| C11 | C12 | C14 | C15 | 174.1° | 180.0° |
| C12 | C11 | C10 | H10 | 4.7° | 0.0° |
| C11 | C12 | C13 | H131 | 180.0° | 90.0° |
| C11 | C12 | C13 | H132 | 60.0° | 150.0° |
| C11 | C12 | C13 | H133 | 60.0° | 30.0° |
| C11 | C12 | C14 | H1 | 5.9° | 0.0° |
| C13 | C12 | C14 | C15 | 0.4° | 0.1° |
| C13 | C12 | C11 | H11 | 173.1° | 180.0° |
| C12 | C13 | H131 | H132 | 120.0° | 120.0° |
| C12 | C13 | H131 | H133 | 120.0° | 120.0° |
| C12 | C13 | H132 | H133 | 120.0° | 119.9° |
| C13 | C12 | C14 | H1 | 179.6° | 180.0° |
| C12 | C14 | C15 | H1 | 180.0° | 179.9° |
| C12 | C14 | C15 | C16 | 175.4° | 179.9° |
| C14 | C12 | C11 | H11 | 1.7° | 0.0° |
| C14 | C12 | C13 | H131 | 5.4° | 89.9° |
| C14 | C12 | C13 | H132 | 125.5° | 30.1° |
| C14 | C12 | C13 | H133 | 114.6° | 150.0° |
| C12 | C14 | C15 | H15 | 4.6° | 0.1° |
| C14 | C15 | C16 | H15 | 180.0° | 180.0° |
| C14 | C15 | C16 | C17 | 174.3° | 179.9° |
| C14 | C15 | C16 | H16 | 5.7° | 0.0° |
| C15 | C16 | C17 | H16 | 180.0° | 179.9° |
| C15 | C16 | C17 | C19 | 160.8° | 180.0° |
| C15 | C16 | C17 | C18 | 17.6° | 0.1° |
| C16 | C15 | C14 | H1 | 4.6° | 0.0° |
| C16 | C17 | C19 | C18 | 178.4° | 179.9° |
| C16 | C17 | C19 | C20 | 174.3° | 180.0° |
| C17 | C16 | C15 | H15 | 5.7° | 0.1° |
| C16 | C17 | C18 | H181 | 180.0° | 90.0° |
| C16 | C17 | C18 | H182 | 60.0° | 150.0° |
| C16 | C17 | C18 | H183 | 60.0° | 30.0° |
| C16 | C17 | C19 | H19 | 5.7° | 0.1° |
| C17 | C19 | C20 | H19 | 180.0° | 180.0° |
| C17 | C19 | C20 | C21 | 178.7° | 180.0° |
| C19 | C17 | C16 | H16 | 19.2° | 0.1° |
| C19 | C17 | C18 | H181 | 1.7° | 90.0° |
| C19 | C17 | C18 | H182 | 121.6° | 30.0° |
| C19 | C17 | C18 | H183 | 118.4° | 149.9° |
| C17 | C19 | C20 | H20 | 1.3° | 0.0° |
| C18 | C17 | C19 | C20 | 4.0° | 0.0° |
| C18 | C17 | C16 | H16 | 162.4° | 180.0° |
| C17 | C18 | H181 | H182 | 120.0° | 120.0° |
| C17 | C18 | H181 | H183 | 120.0° | 120.0° |
| C17 | C18 | H182 | H183 | 120.0° | 120.0° |
| C18 | C17 | C19 | H19 | 175.9° | 180.0° |
| C19 | C20 | C21 | H20 | 180.0° | 180.0° |
| C19 | C20 | C21 | C22 | 174.1° | 180.0° |
| C19 | C20 | C21 | H2 | 5.9° | 0.0° |
| C20 | C21 | C22 | H2 | 180.0° | 180.0° |
| C20 | C21 | C22 | C23 | 174.6° | 180.0° |
| C21 | C20 | C19 | H19 | 1.3° | 0.0° |
| C20 | C21 | C22 | H22 | 5.4° | 0.0° |
| C21 | C22 | C23 | C24 | 4.3° | 0.0° |
| C21 | C22 | C23 | H22 | 180.0° | 180.0° |
| C21 | C22 | C23 | C25 | 174.6° | 180.0° |
| C22 | C21 | C20 | H20 | 5.9° | 0.0° |
| C24 | C23 | C22 | C25 | 178.9° | 180.0° |
| C24 | C23 | C25 | C26 | 5.0° | 0.0° |
| C24 | C23 | C22 | H22 | 175.7° | 180.0° |
| C23 | C24 | H3 | H242 | 120.0° | 120.0° |
| C23 | C24 | H3 | H243 | 120.0° | 120.0° |
| C23 | C24 | H242 | H243 | 120.0° | 120.0° |
| C24 | C23 | C25 | H25 | 175.1° | 180.0° |
| C22 | C23 | C25 | C26 | 174.0° | 180.0° |
| C23 | C22 | C21 | H2 | 5.4° | 0.0° |
| C22 | C23 | C24 | H3 | 180.0° | 90.0° |
| C22 | C23 | C24 | H242 | 60.0° | 150.0° |
| C22 | C23 | C24 | H243 | 60.0° | 30.0° |
| C22 | C23 | C25 | H25 | 6.0° | 0.0° |
| C23 | C25 | C26 | H25 | 180.0° | 180.0° |
| C23 | C25 | C26 | C27 | 176.4° | 180.0° |
| C25 | C23 | C22 | H22 | 5.5° | 0.0° |
| C25 | C23 | C24 | H3 | 1.1° | 90.0° |
| C25 | C23 | C24 | H242 | 118.9° | 30.0° |
| C25 | C23 | C24 | H243 | 121.1° | 150.0° |
| C23 | C25 | C26 | H26 | 3.5° | 0.0° |
| C25 | C26 | C27 | H26 | 180.0° | 180.0° |
| C25 | C26 | C27 | C28 | 179.8° | 180.0° |
| C25 | C26 | C27 | H27 | 0.3° | 0.0° |
| C26 | C27 | C28 | H27 | 180.0° | 179.9° |
| C26 | C27 | C28 | C29 | 1.7° | 0.0° |
| C26 | C27 | C28 | C30 | 177.6° | 180.0° |
| C27 | C26 | C25 | H25 | 3.5° | 0.0° |
| C27 | C28 | C29 | C30 | 179.4° | 180.0° |
| C27 | C28 | C30 | C31 | 114.8° | 95.0° |
| C28 | C27 | C26 | H26 | 0.3° | 0.0° |
| C27 | C28 | C29 | H291 | 180.0° | 90.0° |
| C27 | C28 | C29 | H292 | 60.0° | 150.0° |
| C27 | C28 | C29 | H4 | 60.0° | 30.0° |
| C27 | C28 | C30 | H7 | 125.1° | 145.0° |
| C27 | C28 | C30 | H302 | 5.4° | 25.1° |
| C29 | C28 | C30 | C31 | 64.6° | 85.0° |
| C29 | C28 | C27 | H27 | 178.3° | 180.0° |
| C28 | C29 | H291 | H292 | 120.0° | 120.0° |
| C28 | C29 | H291 | H4 | 120.0° | 120.0° |
| C28 | C29 | H292 | H4 | 120.0° | 120.0° |
| C29 | C28 | C30 | H7 | 55.6° | 35.0° |
| C29 | C28 | C30 | H302 | 175.2° | 155.0° |
| C28 | C30 | C31 | H7 | 120.2° | 120.0° |
| C28 | C30 | C31 | H302 | 120.2° | 120.0° |
| C28 | C30 | C31 | C32 | 170.4° | 180.0° |
| C30 | C28 | C27 | H27 | 2.4° | 0.1° |
| C30 | C28 | C29 | H291 | 0.7° | 90.0° |
| C30 | C28 | C29 | H292 | 119.3° | 30.0° |
| C30 | C28 | C29 | H4 | 120.7° | 150.0° |
| C28 | C30 | H7 | H302 | 119.5° | 120.0° |
| C28 | C30 | C31 | H311 | 49.8° | 60.0° |
| C28 | C30 | C31 | H312 | 69.0° | 60.0° |
| C30 | C31 | C32 | H311 | 120.6° | 120.0° |
| C30 | C31 | C32 | H312 | 120.6° | 120.0° |
| C30 | C31 | C32 | C33 | 92.7° | 119.7° |
| C31 | C30 | H7 | H302 | 119.5° | 120.0° |
| C30 | C31 | H311 | H312 | 118.1° | 120.0° |
| C30 | C31 | C32 | H32 | 87.3° | 60.4° |
| C31 | C32 | C33 | C34 | 0.1° | 6.2° |
| C31 | C32 | C33 | H32 | 180.0° | 179.9° |
| C31 | C32 | C33 | C35 | 179.5° | 173.9° |
| C32 | C31 | C30 | H7 | 69.4° | 60.0° |
| C32 | C31 | C30 | H302 | 50.2° | 60.0° |
| C32 | C31 | H311 | H312 | 118.1° | 120.1° |
| C34 | C33 | C32 | C35 | 179.4° | 180.0° |
| C34 | C33 | C35 | C36 | 179.4° | 85.0° |
| C34 | C33 | C32 | H32 | 179.9° | 173.9° |
| C33 | C34 | H341 | H342 | 120.0° | 120.1° |
| C33 | C34 | H341 | H343 | 120.0° | 120.0° |
| C33 | C34 | H342 | H343 | 120.0° | 120.0° |
| C34 | C33 | C35 | H351 | 58.4° | 35.0° |
| C34 | C33 | C35 | H352 | 59.6° | 155.0° |
| C32 | C33 | C35 | C36 | 1.1° | 95.0° |
| C33 | C32 | C31 | H311 | 27.9° | 0.3° |
| C33 | C32 | C31 | H312 | 146.7° | 120.3° |
| C32 | C33 | C34 | H341 | 180.0° | 84.7° |
| C32 | C33 | C34 | H342 | 60.0° | 155.2° |
| C32 | C33 | C34 | H343 | 60.0° | 35.3° |
| C32 | C33 | C35 | H351 | 122.1° | 145.1° |
| C32 | C33 | C35 | H352 | 119.9° | 25.0° |
| C33 | C35 | C36 | H351 | 121.0° | 120.0° |
| C33 | C35 | C36 | H352 | 121.0° | 120.0° |
| C33 | C35 | C36 | C37 | 173.6° | 180.0° |
| C35 | C33 | C32 | H32 | 0.5° | 6.0° |
| C35 | C33 | C34 | H341 | 0.6° | 95.3° |
| C35 | C33 | C34 | H342 | 120.6° | 24.7° |
| C35 | C33 | C34 | H343 | 119.4° | 144.6° |
| C33 | C35 | H351 | H352 | 116.8° | 120.0° |
| C33 | C35 | C36 | H361 | 53.5° | 60.0° |
| C33 | C35 | C36 | H362 | 66.2° | 60.0° |
| C35 | C36 | C37 | H361 | 120.1° | 120.0° |
| C35 | C36 | C37 | H362 | 120.1° | 120.0° |
| C35 | C36 | C37 | C38 | 106.7° | 127.6° |
| C36 | C35 | H351 | H352 | 116.9° | 120.0° |
| C35 | C36 | H361 | H362 | 119.6° | 120.0° |
| C35 | C36 | C37 | H37 | 73.3° | 52.3° |
| C36 | C37 | C38 | H37 | 180.0° | 179.9° |
| C36 | C37 | C38 | C39 | 0.4° | 170.9° |
| C36 | C37 | C38 | C40 | 179.7° | 9.2° |
| C37 | C36 | C35 | H351 | 65.4° | 60.0° |
| C37 | C36 | C35 | H352 | 52.7° | 60.0° |
| C37 | C36 | H361 | H362 | 119.6° | 120.0° |
| C37 | C38 | C39 | C40 | 179.9° | 179.9° |
| C38 | C37 | C36 | H361 | 133.2° | 7.6° |
| C38 | C37 | C36 | H362 | 13.4° | 112.4° |
| C37 | C38 | C39 | H391 | 180.0° | 90.1° |
| C37 | C38 | C39 | H392 | 60.0° | 150.0° |
| C37 | C38 | C39 | H393 | 60.0° | 30.0° |
| C37 | C38 | C40 | H401 | 180.0° | 5.7° |
| C37 | C38 | C40 | H402 | 60.0° | 125.8° |
| C37 | C38 | C40 | H403 | 60.0° | 114.3° |
| C39 | C38 | C37 | H37 | 179.6° | 9.1° |
| C38 | C39 | H391 | H392 | 120.0° | 120.0° |
| C38 | C39 | H391 | H393 | 120.0° | 120.0° |
| C38 | C39 | H392 | H393 | 120.0° | 120.0° |
| C39 | C38 | C40 | H401 | 0.0° | 174.2° |
| C39 | C38 | C40 | H402 | 120.0° | 54.1° |
| C39 | C38 | C40 | H403 | 119.9° | 65.8° |
| C40 | C38 | C37 | H37 | 0.3° | 170.8° |
| C40 | C38 | C39 | H391 | 0.1° | 90.0° |
| C40 | C38 | C39 | H392 | 119.9° | 30.0° |
| C40 | C38 | C39 | H393 | 120.1° | 149.9° |
| C38 | C40 | H401 | H402 | 120.0° | 120.0° |
| C38 | C40 | H401 | H403 | 120.0° | 120.0° |
| C38 | C40 | H402 | H403 | 120.0° | 119.9° |
| HM11 | CM1 | HM12 | HM13 | 120.0° | 119.9° |
| H21A | C2 | H22A | H14 | 120.0° | 120.1° |
| H21 | C3 | H32A | H241 | 120.0° | 120.0° |
| H293 | C4 | C5 | H5 | 56.1° | 175.0° |
| H301 | C4 | C5 | H5 | 174.9° | 65.0° |
| H5 | C5 | C6 | H6 | 178.1° | 180.0° |
| H81 | C8 | H82 | H83 | 120.0° | 120.0° |
| H9 | C9 | C10 | H10 | 177.8° | 180.0° |
| H10 | C10 | C11 | H11 | 175.3° | NaN° |
| H131 | C13 | H132 | H133 | 120.0° | 120.0° |
| H1 | C14 | C15 | H15 | 175.4° | 180.0° |
| H15 | C15 | C16 | H16 | 174.2° | 180.0° |
| H181 | C18 | H182 | H183 | 120.0° | 120.0° |
| H19 | C19 | C20 | H20 | 178.7° | 180.0° |
| H20 | C20 | C21 | H2 | 174.1° | 180.0° |
| H2 | C21 | C22 | H22 | 174.6° | 179.9° |
| H3 | C24 | H242 | H243 | 120.0° | 120.0° |
| H25 | C25 | C26 | H26 | 176.5° | 180.0° |
| H26 | C26 | C27 | H27 | 179.7° | 180.0° |
| H291 | C29 | H292 | H4 | 120.0° | 120.0° |
| H7 | C30 | C31 | H311 | 170.0° | 180.0° |
| H7 | C30 | C31 | H312 | 51.2° | 60.0° |
| H302 | C30 | C31 | H311 | 70.4° | 60.0° |
| H302 | C30 | C31 | H312 | 170.8° | 180.0° |
| H311 | C31 | C32 | H32 | 152.1° | 179.6° |
| H312 | C31 | C32 | H32 | 33.4° | 59.6° |
| H341 | C34 | H342 | H343 | 120.0° | 120.0° |
| H351 | C35 | C36 | H361 | 174.5° | 179.9° |
| H351 | C35 | C36 | H362 | 54.8° | 60.0° |
| H352 | C35 | C36 | H361 | 67.5° | 60.0° |
| H352 | C35 | C36 | H362 | 172.8° | 180.0° |
| H361 | C36 | C37 | H37 | 46.8° | 172.3° |
| H362 | C36 | C37 | H37 | 166.5° | 67.7° |
| H391 | C39 | H392 | H393 | 120.0° | 120.0° |
| H401 | C40 | H402 | H403 | 120.0° | 120.0° |
