CRT
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1M | O1 | sing | 1.43Å | 1.42Å | |
| C1M | H1M1 | sing | 1.09Å | 1.11Å | |
| C1M | H1M2 | sing | 1.09Å | 1.12Å | |
| C1M | H1M3 | sing | 1.09Å | 1.11Å | |
| O1 | C1 | sing | 1.43Å | 1.45Å | |
| C1 | C2 | sing | 1.53Å | 1.54Å | |
| C1 | C3 | sing | 1.53Å | 1.53Å | |
| C1 | C4 | sing | 1.53Å | 1.57Å | |
| C2 | H21A | sing | 1.09Å | 1.11Å | |
| C2 | H22A | sing | 1.09Å | 1.11Å | |
| C2 | H23 | sing | 1.09Å | 1.12Å | |
| C3 | H31A | sing | 1.09Å | 1.11Å | |
| C3 | H32A | sing | 1.09Å | 1.11Å | |
| C3 | H33 | sing | 1.09Å | 1.12Å | |
| C4 | C5 | sing | 1.51Å | 1.53Å | |
| C4 | H41 | sing | 1.09Å | 1.12Å | |
| C4 | H42 | sing | 1.09Å | 1.11Å | |
| C5 | C6 | doub | 1.34Å | 1.54Å | |
| C5 | H5 | sing | 1.08Å | 1.10Å | |
| C6 | C7 | sing | 1.42Å | 1.50Å | |
| C6 | H6 | sing | 1.08Å | 1.10Å | |
| C7 | C8 | sing | 1.51Å | 1.48Å | |
| C7 | C9 | doub | 1.36Å | 1.36Å | |
| C8 | H81 | sing | 1.09Å | 1.12Å | |
| C8 | H82 | sing | 1.09Å | 1.11Å | |
| C8 | H83 | sing | 1.09Å | 1.12Å | |
| C9 | C10 | sing | 1.40Å | 1.43Å | |
| C9 | H9 | sing | 1.08Å | 1.10Å | |
| C10 | C11 | doub | 1.37Å | 1.43Å | |
| C10 | H10 | sing | 1.08Å | 1.10Å | |
| C11 | C12 | sing | 1.40Å | 1.42Å | |
| C11 | H11 | sing | 1.08Å | 1.10Å | |
| C12 | C13 | sing | 1.51Å | 1.48Å | |
| C12 | C14 | doub | 1.38Å | 1.41Å | |
| C13 | H131 | sing | 1.09Å | 1.12Å | |
| C13 | H132 | sing | 1.09Å | 1.11Å | |
| C13 | H133 | sing | 1.09Å | 1.12Å | |
| C14 | C15 | sing | 1.40Å | 1.41Å | |
| C14 | H14 | sing | 1.08Å | 1.10Å | |
| C15 | C16 | doub | 1.38Å | 1.44Å | |
| 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 | 1.48Å | |
| C17 | C19 | doub | 1.38Å | 1.42Å | |
| C18 | H181 | sing | 1.09Å | 1.11Å | |
| C18 | H182 | sing | 1.09Å | 1.11Å | |
| C18 | H183 | sing | 1.09Å | 1.12Å | |
| C19 | C20 | sing | 1.40Å | 1.40Å | |
| C19 | H19 | sing | 1.08Å | 1.10Å | |
| C20 | C21 | doub | 1.38Å | 1.35Å | |
| C20 | H20 | sing | 1.08Å | 1.10Å | |
| C21 | C22 | sing | 1.40Å | 1.41Å | |
| C21 | H21 | sing | 1.08Å | 1.10Å | |
| C22 | C23 | doub | 1.38Å | 1.42Å | |
| C22 | H22 | sing | 1.08Å | 1.10Å | |
| C23 | C24 | sing | 1.51Å | 1.48Å | |
| C23 | C25 | sing | 1.40Å | 1.40Å | |
| C24 | H241 | sing | 1.09Å | 1.11Å | |
| C24 | H242 | sing | 1.09Å | 1.12Å | |
| C24 | H243 | sing | 1.09Å | 1.11Å | |
| C25 | C26 | doub | 1.38Å | 1.42Å | |
| C25 | H25 | sing | 1.08Å | 1.10Å | |
| C26 | C27 | sing | 1.40Å | 1.41Å | |
| C26 | H26 | sing | 1.08Å | 1.10Å | |
| C27 | C28 | doub | 1.38Å | 1.40Å | |
| C27 | H27 | sing | 1.08Å | 1.10Å | |
| C28 | C29 | sing | 1.51Å | 1.48Å | |
| C28 | C30 | sing | 1.40Å | 1.41Å | |
| C29 | H291 | sing | 1.09Å | 1.11Å | |
| C29 | H292 | sing | 1.09Å | 1.12Å | |
| C29 | H293 | sing | 1.09Å | 1.12Å | |
| C30 | C31 | doub | 1.37Å | 1.44Å | |
| C30 | H30 | sing | 1.08Å | 1.10Å | |
| C31 | C32 | sing | 1.40Å | 1.44Å | |
| C31 | H31 | sing | 1.08Å | 1.10Å | |
| C32 | C33 | doub | 1.36Å | 1.38Å | |
| C32 | H32 | sing | 1.08Å | 1.10Å | |
| C33 | C34 | sing | 1.51Å | 1.48Å | |
| C33 | C35 | sing | 1.42Å | 1.48Å | |
| C34 | H341 | sing | 1.09Å | 1.11Å | |
| C34 | H342 | sing | 1.09Å | 1.12Å | |
| C34 | H343 | sing | 1.09Å | 1.11Å | |
| C35 | C36 | doub | 1.34Å | 1.52Å | |
| C35 | H35 | sing | 1.08Å | 1.10Å | |
| C36 | C37 | sing | 1.51Å | 1.52Å | |
| C36 | H36 | sing | 1.08Å | 1.10Å | |
| C37 | C38 | sing | 1.53Å | 1.55Å | |
| C37 | H371 | sing | 1.09Å | 1.12Å | |
| C37 | H372 | sing | 1.09Å | 1.12Å | |
| C38 | C39 | sing | 1.53Å | 1.54Å | |
| C38 | C40 | sing | 1.53Å | 1.54Å | |
| C38 | O2 | sing | 1.43Å | 1.44Å | |
| C39 | H391 | sing | 1.09Å | 1.11Å | |
| C39 | H392 | sing | 1.09Å | 1.12Å | |
| C39 | H393 | sing | 1.09Å | 1.12Å | |
| C40 | H401 | sing | 1.09Å | 1.11Å | |
| C40 | H402 | sing | 1.09Å | 1.12Å | |
| C40 | H403 | sing | 1.09Å | 1.11Å | |
| O2 | C2M | sing | 1.43Å | 1.43Å | |
| C2M | H2M1 | sing | 1.09Å | 1.11Å | |
| C2M | H2M2 | sing | 1.09Å | 1.11Å | |
| C2M | H2M3 | sing | 1.09Å | 1.11Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C1M | H1M1 | 117.1° | 109.5° |
| O1 | C1M | H1M2 | 109.4° | 109.5° |
| O1 | C1M | H1M3 | 109.4° | 109.5° |
| C1M | O1 | C1 | 117.1° | 106.8° |
| H1M1 | C1M | H1M2 | 109.4° | 109.5° |
| H1M1 | C1M | H1M3 | 109.5° | 109.5° |
| H1M2 | C1M | H1M3 | 100.7° | 109.5° |
| O1 | C1 | C2 | 112.6° | 109.4° |
| O1 | C1 | C3 | 111.7° | 109.5° |
| O1 | C1 | C4 | 104.4° | 109.5° |
| C2 | C1 | C3 | 108.6° | 109.5° |
| C2 | C1 | C4 | 110.5° | 109.5° |
| C1 | C2 | H21A | 112.6° | 109.5° |
| C1 | C2 | H22A | 111.0° | 109.5° |
| C1 | C2 | H23 | 111.0° | 109.5° |
| C3 | C1 | C4 | 109.1° | 109.5° |
| C1 | C3 | H31A | 111.6° | 109.5° |
| C1 | C3 | H32A | 111.4° | 109.5° |
| C1 | C3 | H33 | 111.4° | 109.5° |
| C1 | C4 | C5 | 116.1° | 109.5° |
| C1 | C4 | H41 | 109.8° | 109.4° |
| C1 | C4 | H42 | 109.8° | 109.4° |
| H21A | C2 | H22A | 111.1° | 109.5° |
| H21A | C2 | H23 | 111.1° | 109.5° |
| H22A | C2 | H23 | 99.2° | 109.4° |
| H31A | C3 | H32A | 111.5° | 109.4° |
| H31A | C3 | H33 | 111.5° | 109.4° |
| H32A | C3 | H33 | 99.0° | 109.5° |
| C5 | C4 | H41 | 109.8° | 109.5° |
| C5 | C4 | H42 | 109.8° | 109.5° |
| C4 | C5 | C6 | 111.1° | 120.0° |
| C4 | C5 | H5 | 124.4° | 120.0° |
| H41 | C4 | H42 | 100.4° | 109.5° |
| C6 | C5 | H5 | 124.5° | 120.0° |
| C5 | C6 | C7 | 117.9° | 120.0° |
| C5 | C6 | H6 | 122.3° | 120.0° |
| C7 | C6 | H6 | 119.8° | 120.0° |
| C6 | C7 | C8 | 119.1° | 120.0° |
| C6 | C7 | C9 | 118.4° | 120.0° |
| C8 | C7 | C9 | 122.5° | 120.0° |
| C7 | C8 | H81 | 119.1° | 109.5° |
| C7 | C8 | H82 | 108.7° | 109.5° |
| C7 | C8 | H83 | 108.7° | 109.4° |
| C7 | C9 | C10 | 126.3° | 120.0° |
| C7 | C9 | H9 | 114.1° | 120.0° |
| H81 | C8 | H82 | 108.8° | 109.6° |
| H81 | C8 | H83 | 108.7° | 109.4° |
| H82 | C8 | H83 | 101.3° | 109.5° |
| C10 | C9 | H9 | 119.6° | 120.0° |
| C9 | C10 | C11 | 119.7° | 120.1° |
| C9 | C10 | H10 | 120.3° | 120.0° |
| C11 | C10 | H10 | 120.0° | 120.0° |
| C10 | C11 | C12 | 127.6° | 120.0° |
| C10 | C11 | H11 | 116.4° | 120.0° |
| C12 | C11 | H11 | 116.0° | 120.0° |
| C11 | C12 | C13 | 121.0° | 120.0° |
| C11 | C12 | C14 | 117.2° | 120.0° |
| C13 | C12 | C14 | 121.8° | 120.0° |
| C12 | C13 | H131 | 121.0° | 109.5° |
| C12 | C13 | H132 | 108.1° | 109.4° |
| C12 | C13 | H133 | 108.1° | 109.5° |
| C12 | C14 | C15 | 127.1° | 120.0° |
| C12 | C14 | H14 | 116.1° | 120.0° |
| H131 | C13 | H132 | 108.1° | 109.5° |
| H131 | C13 | H133 | 108.1° | 109.5° |
| H132 | C13 | H133 | 101.8° | 109.4° |
| C15 | C14 | H14 | 116.8° | 120.0° |
| C14 | C15 | C16 | 120.6° | 119.9° |
| C14 | C15 | H15 | 118.9° | 120.0° |
| C16 | C15 | H15 | 120.5° | 120.0° |
| C15 | C16 | C17 | 125.9° | 120.0° |
| C15 | C16 | H16 | 118.1° | 120.1° |
| C17 | C16 | H16 | 116.0° | 120.0° |
| C16 | C17 | C18 | 119.7° | 120.0° |
| C16 | C17 | C19 | 118.8° | 120.0° |
| C18 | C17 | C19 | 121.5° | 120.0° |
| C17 | C18 | H181 | 119.8° | 109.4° |
| C17 | C18 | H182 | 108.5° | 109.5° |
| C17 | C18 | H183 | 108.5° | 109.5° |
| C17 | C19 | C20 | 124.5° | 120.0° |
| C17 | C19 | H19 | 118.4° | 120.0° |
| H181 | C18 | H182 | 108.5° | 109.5° |
| H181 | C18 | H183 | 108.5° | 109.5° |
| H182 | C18 | H183 | 101.4° | 109.4° |
| C20 | C19 | H19 | 117.1° | 120.0° |
| C19 | C20 | C21 | 124.2° | 120.0° |
| C19 | C20 | H20 | 119.9° | 120.0° |
| C21 | C20 | H20 | 116.0° | 120.0° |
| C20 | C21 | C22 | 123.7° | 120.0° |
| C20 | C21 | H21 | 115.8° | 120.0° |
| C22 | C21 | H21 | 120.5° | 120.0° |
| C21 | C22 | C23 | 125.7° | 120.0° |
| C21 | C22 | H22 | 116.6° | 120.0° |
| C23 | C22 | H22 | 117.7° | 120.0° |
| C22 | C23 | C24 | 121.9° | 120.0° |
| C22 | C23 | C25 | 117.8° | 120.0° |
| C24 | C23 | C25 | 120.4° | 120.0° |
| C23 | C24 | H241 | 121.8° | 109.4° |
| C23 | C24 | H242 | 107.8° | 109.5° |
| C23 | C24 | H243 | 107.8° | 109.5° |
| C23 | C25 | C26 | 126.9° | 120.0° |
| C23 | C25 | H25 | 115.9° | 120.0° |
| H241 | C24 | H242 | 107.8° | 109.5° |
| H241 | C24 | H243 | 107.9° | 109.5° |
| H242 | C24 | H243 | 102.0° | 109.5° |
| C26 | C25 | H25 | 117.2° | 120.0° |
| C25 | C26 | C27 | 120.2° | 120.0° |
| C25 | C26 | H26 | 120.2° | 120.0° |
| C27 | C26 | H26 | 119.5° | 120.0° |
| C26 | C27 | C28 | 126.2° | 120.0° |
| C26 | C27 | H27 | 117.3° | 120.0° |
| C28 | C27 | H27 | 116.4° | 120.0° |
| C27 | C28 | C29 | 119.8° | 120.0° |
| C27 | C28 | C30 | 118.3° | 120.0° |
| C29 | C28 | C30 | 121.8° | 120.0° |
| C28 | C29 | H291 | 119.8° | 109.5° |
| C28 | C29 | H292 | 108.5° | 109.5° |
| C28 | C29 | H293 | 108.5° | 109.5° |
| C28 | C30 | C31 | 128.2° | 120.0° |
| C28 | C30 | H30 | 115.0° | 120.0° |
| H291 | C29 | H292 | 108.5° | 109.5° |
| H291 | C29 | H293 | 108.5° | 109.5° |
| H292 | C29 | H293 | 101.5° | 109.4° |
| C31 | C30 | H30 | 116.8° | 120.0° |
| C30 | C31 | C32 | 121.1° | 120.0° |
| C30 | C31 | H31 | 119.1° | 120.0° |
| C32 | C31 | H31 | 119.8° | 120.0° |
| C31 | C32 | C33 | 127.0° | 120.0° |
| C31 | C32 | H32 | 119.0° | 120.0° |
| C33 | C32 | H32 | 114.1° | 120.0° |
| C32 | C33 | C34 | 123.7° | 120.0° |
| C32 | C33 | C35 | 117.8° | 120.0° |
| C34 | C33 | C35 | 118.4° | 119.9° |
| C33 | C34 | H341 | 123.7° | 109.5° |
| C33 | C34 | H342 | 107.1° | 109.5° |
| C33 | C34 | H343 | 107.1° | 109.5° |
| C33 | C35 | C36 | 117.6° | 120.0° |
| C33 | C35 | H35 | 119.7° | 119.9° |
| H341 | C34 | H342 | 107.1° | 109.5° |
| H341 | C34 | H343 | 107.2° | 109.4° |
| H342 | C34 | H343 | 102.6° | 109.4° |
| C36 | C35 | H35 | 122.7° | 120.0° |
| C35 | C36 | C37 | 108.7° | 120.0° |
| C35 | C36 | H36 | 125.7° | 120.0° |
| C37 | C36 | H36 | 125.6° | 120.0° |
| C36 | C37 | C38 | 116.8° | 109.4° |
| C36 | C37 | H371 | 109.5° | 109.4° |
| C36 | C37 | H372 | 109.5° | 109.5° |
| C38 | C37 | H371 | 109.6° | 109.5° |
| C38 | C37 | H372 | 109.6° | 109.5° |
| C37 | C38 | C39 | 108.3° | 109.5° |
| C37 | C38 | C40 | 110.5° | 109.5° |
| C37 | C38 | O2 | 104.2° | 109.5° |
| H371 | C37 | H372 | 100.6° | 109.5° |
| C39 | C38 | C40 | 108.1° | 109.5° |
| C39 | C38 | O2 | 112.9° | 109.5° |
| C38 | C39 | H391 | 108.3° | 109.4° |
| C38 | C39 | H392 | 112.7° | 109.5° |
| C38 | C39 | H393 | 112.7° | 109.5° |
| C40 | C38 | O2 | 112.8° | 109.4° |
| C38 | C40 | H401 | 110.5° | 109.5° |
| C38 | C40 | H402 | 111.8° | 109.5° |
| C38 | C40 | H403 | 111.8° | 109.5° |
| C38 | O2 | C2M | 116.3° | 106.8° |
| H391 | C39 | H392 | 112.7° | 109.4° |
| H391 | C39 | H393 | 112.7° | 109.5° |
| H392 | C39 | H393 | 97.7° | 109.4° |
| H401 | C40 | H402 | 111.9° | 109.5° |
| H401 | C40 | H403 | 111.9° | 109.5° |
| H402 | C40 | H403 | 98.6° | 109.4° |
| O2 | C2M | H2M1 | 116.3° | 109.5° |
| O2 | C2M | H2M2 | 109.7° | 109.5° |
| O2 | C2M | H2M3 | 109.7° | 109.5° |
| H2M1 | C2M | H2M2 | 109.7° | 109.4° |
| H2M1 | C2M | H2M3 | 109.8° | 109.4° |
| H2M2 | C2M | H2M3 | 100.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C1M | H1M1 | H1M2 | 125.2° | 120.0° |
| O1 | C1M | H1M1 | H1M3 | 125.3° | 120.0° |
| O1 | C1M | H1M2 | H1M3 | 115.2° | 120.0° |
| C1M | O1 | C1 | C2 | 61.5° | 60.6° |
| C1M | O1 | C1 | C3 | 61.0° | 59.4° |
| C1M | O1 | C1 | C4 | 178.7° | 179.4° |
| H1M1 | C1M | H1M2 | H1M3 | 115.2° | 120.0° |
| H1M1 | C1M | O1 | C1 | 180.0° | 60.8° |
| H1M2 | C1M | O1 | C1 | 54.8° | 179.2° |
| H1M3 | C1M | O1 | C1 | 54.7° | 59.2° |
| O1 | C1 | C2 | C3 | 124.2° | 120.0° |
| O1 | C1 | C2 | C4 | 116.2° | 120.0° |
| O1 | C1 | C3 | C4 | 114.8° | 120.0° |
| O1 | C1 | C2 | H21A | 180.0° | 52.5° |
| O1 | C1 | C2 | H22A | 54.7° | 67.5° |
| O1 | C1 | C2 | H23 | 54.7° | 172.5° |
| O1 | C1 | C3 | H31A | 180.0° | 52.5° |
| O1 | C1 | C3 | H32A | 54.7° | 172.4° |
| O1 | C1 | C3 | H33 | 54.7° | 67.5° |
| O1 | C1 | C4 | C5 | 64.7° | 60.0° |
| O1 | C1 | C4 | H41 | 60.6° | 180.0° |
| O1 | C1 | C4 | H42 | 170.1° | 60.0° |
| C2 | C1 | C3 | C4 | 120.5° | 120.0° |
| C1 | C2 | H21A | H22A | 125.3° | 120.0° |
| C1 | C2 | H21A | H23 | 125.3° | 120.0° |
| C1 | C2 | H22A | H23 | 116.9° | 120.0° |
| C2 | C1 | C3 | H31A | 55.3° | 172.4° |
| C2 | C1 | C3 | H32A | 179.4° | 67.6° |
| C2 | C1 | C3 | H33 | 70.0° | 52.4° |
| C2 | C1 | C4 | C5 | 56.6° | 60.0° |
| C2 | C1 | C4 | H41 | 178.2° | 60.0° |
| C2 | C1 | C4 | H42 | 68.7° | 180.0° |
| C3 | C1 | C2 | H21A | 55.9° | 172.5° |
| C3 | C1 | C2 | H22A | 69.5° | 52.4° |
| C3 | C1 | C2 | H23 | 178.8° | 67.5° |
| C1 | C3 | H31A | H32A | 125.2° | 120.0° |
| C1 | C3 | H31A | H33 | 125.3° | 120.0° |
| C1 | C3 | H32A | H33 | 117.3° | 120.0° |
| C3 | C1 | C4 | C5 | 175.9° | 180.0° |
| C3 | C1 | C4 | H41 | 58.9° | 60.0° |
| C3 | C1 | C4 | H42 | 50.6° | 60.0° |
| C4 | C1 | C2 | H21A | 63.8° | 67.5° |
| C4 | C1 | C2 | H22A | 170.9° | 172.4° |
| C4 | C1 | C2 | H23 | 61.5° | 52.5° |
| C4 | C1 | C3 | H31A | 65.2° | 67.6° |
| C4 | C1 | C3 | H32A | 60.1° | 52.4° |
| C4 | C1 | C3 | H33 | 169.5° | 172.4° |
| C1 | C4 | C5 | H41 | 125.2° | 120.0° |
| C1 | C4 | C5 | H42 | 125.3° | 120.0° |
| C1 | C4 | H41 | H42 | 115.6° | 119.9° |
| C1 | C4 | C5 | C6 | 112.9° | 120.0° |
| C1 | C4 | C5 | H5 | 67.0° | 60.0° |
| H21A | C2 | H22A | H23 | 117.0° | 120.0° |
| H31A | C3 | H32A | H33 | 117.4° | 119.9° |
| C5 | C4 | H41 | H42 | 115.6° | 120.1° |
| C4 | C5 | C6 | H5 | 179.9° | 179.9° |
| C4 | C5 | C6 | C7 | 163.5° | 180.0° |
| C4 | C5 | C6 | H6 | 16.4° | 0.0° |
| H41 | C4 | C5 | C6 | 12.3° | 0.1° |
| H41 | C4 | C5 | H5 | 167.8° | 180.0° |
| H42 | C4 | C5 | C6 | 121.8° | 120.0° |
| H42 | C4 | C5 | H5 | 58.3° | 59.9° |
| C5 | C6 | C7 | H6 | 180.0° | 180.0° |
| C5 | C6 | C7 | C8 | 24.4° | 0.0° |
| C5 | C6 | C7 | C9 | 156.6° | 180.0° |
| H5 | C5 | C6 | C7 | 16.4° | 0.0° |
| H5 | C5 | C6 | H6 | 163.6° | 179.9° |
| C6 | C7 | C8 | C9 | 178.9° | 180.0° |
| C6 | C7 | C8 | H81 | 180.0° | 91.9° |
| C6 | C7 | C8 | H82 | 54.7° | 148.0° |
| C6 | C7 | C8 | H83 | 54.7° | 28.0° |
| C6 | C7 | C9 | C10 | 179.0° | 174.4° |
| C6 | C7 | C9 | H9 | 1.0° | 5.7° |
| H6 | C6 | C7 | C8 | 155.6° | 180.0° |
| H6 | C6 | C7 | C9 | 23.4° | 0.1° |
| C7 | C8 | H81 | H82 | 125.3° | 120.0° |
| C7 | C8 | H81 | H83 | 125.2° | 119.9° |
| C7 | C8 | H82 | H83 | 114.4° | 120.0° |
| C8 | C7 | C9 | C10 | 0.1° | 5.6° |
| C8 | C7 | C9 | H9 | 179.9° | 174.3° |
| C9 | C7 | C8 | H81 | 1.1° | 88.1° |
| C9 | C7 | C8 | H82 | 126.4° | 32.0° |
| C9 | C7 | C8 | H83 | 124.2° | 152.0° |
| C7 | C9 | C10 | H9 | 180.0° | 180.0° |
| C7 | C9 | C10 | C11 | 178.7° | 174.8° |
| C7 | C9 | C10 | H10 | 1.3° | 5.2° |
| H81 | C8 | H82 | H83 | 114.4° | 120.0° |
| C9 | C10 | C11 | H10 | 180.0° | 180.0° |
| C9 | C10 | C11 | C12 | 179.2° | 180.0° |
| C9 | C10 | C11 | H11 | 0.8° | 0.1° |
| H9 | C9 | C10 | C11 | 1.3° | 5.1° |
| H9 | C9 | C10 | H10 | 178.7° | 174.9° |
| C10 | C11 | C12 | H11 | 179.9° | 179.9° |
| C10 | C11 | C12 | C13 | 0.9° | 0.0° |
| C10 | C11 | C12 | C14 | 179.5° | 180.0° |
| H10 | C10 | C11 | C12 | 0.8° | 0.0° |
| H10 | C10 | C11 | H11 | 179.1° | 179.9° |
| C11 | C12 | C13 | C14 | 179.5° | 180.0° |
| C11 | C12 | C13 | H131 | 180.0° | 31.9° |
| C11 | C12 | C13 | H132 | 54.7° | 151.9° |
| C11 | C12 | C13 | H133 | 54.7° | 88.2° |
| C11 | C12 | C14 | C15 | 176.5° | 177.5° |
| C11 | C12 | C14 | H14 | 3.5° | 2.6° |
| H11 | C11 | C12 | C13 | 179.1° | 179.9° |
| H11 | C11 | C12 | C14 | 0.4° | 0.1° |
| C12 | C13 | H131 | H132 | 125.3° | 120.0° |
| C12 | C13 | H131 | H133 | 125.2° | 120.1° |
| C12 | C13 | H132 | H133 | 113.7° | 120.0° |
| C13 | C12 | C14 | C15 | 3.0° | 2.4° |
| C13 | C12 | C14 | H14 | 176.9° | 177.5° |
| C14 | C12 | C13 | H131 | 0.5° | 148.1° |
| C14 | C12 | C13 | H132 | 124.8° | 28.1° |
| C14 | C12 | C13 | H133 | 125.8° | 91.8° |
| C12 | C14 | C15 | H14 | 179.9° | 179.9° |
| C12 | C14 | C15 | C16 | 178.8° | 175.0° |
| C12 | C14 | C15 | H15 | 1.2° | 5.0° |
| H131 | C13 | H132 | H133 | 113.7° | 120.0° |
| C14 | C15 | C16 | H15 | 180.0° | 180.0° |
| C14 | C15 | C16 | C17 | 178.3° | 180.0° |
| C14 | C15 | C16 | H16 | 1.7° | 0.1° |
| H14 | C14 | C15 | C16 | 1.2° | 4.9° |
| H14 | C14 | C15 | H15 | 178.8° | 175.1° |
| C15 | C16 | C17 | H16 | 180.0° | 179.9° |
| C15 | C16 | C17 | C18 | 5.5° | 0.0° |
| C15 | C16 | C17 | C19 | 174.5° | 180.0° |
| H15 | C15 | C16 | C17 | 1.7° | 0.1° |
| H15 | C15 | C16 | H16 | 178.3° | 179.9° |
| C16 | C17 | C18 | C19 | 180.0° | 180.0° |
| C16 | C17 | C18 | H181 | 180.0° | 26.7° |
| C16 | C17 | C18 | H182 | 54.7° | 93.3° |
| C16 | C17 | C18 | H183 | 54.7° | 146.7° |
| C16 | C17 | C19 | C20 | 179.6° | 177.4° |
| C16 | C17 | C19 | H19 | 0.4° | 2.7° |
| H16 | C16 | C17 | C18 | 174.5° | 179.9° |
| H16 | C16 | C17 | C19 | 5.5° | 0.1° |
| C17 | C18 | H181 | H182 | 125.3° | 120.1° |
| C17 | C18 | H181 | H183 | 125.3° | 119.9° |
| C17 | C18 | H182 | H183 | 114.2° | 120.0° |
| C18 | C17 | C19 | C20 | 0.5° | 2.6° |
| C18 | C17 | C19 | H19 | 179.6° | 177.3° |
| C19 | C17 | C18 | H181 | 0.0° | 153.3° |
| C19 | C17 | C18 | H182 | 125.3° | 86.6° |
| C19 | C17 | C18 | H183 | 125.3° | 33.4° |
| C17 | C19 | C20 | H19 | 180.0° | 180.0° |
| C17 | C19 | C20 | C21 | 178.1° | 174.5° |
| C17 | C19 | C20 | H20 | 1.9° | 5.5° |
| H181 | C18 | H182 | H183 | 114.2° | 120.0° |
| C19 | C20 | C21 | H20 | 180.0° | 180.0° |
| C19 | C20 | C21 | C22 | 8.1° | 0.0° |
| C19 | C20 | C21 | H21 | 171.9° | 180.0° |
| H19 | C19 | C20 | C21 | 1.9° | 5.5° |
| H19 | C19 | C20 | H20 | 178.1° | 174.5° |
| C20 | C21 | C22 | H21 | 180.0° | 180.0° |
| C20 | C21 | C22 | C23 | 174.8° | 180.0° |
| C20 | C21 | C22 | H22 | 5.2° | 0.0° |
| H20 | C20 | C21 | C22 | 171.9° | 180.0° |
| H20 | C20 | C21 | H21 | 8.1° | 0.0° |
| C21 | C22 | C23 | H22 | 180.0° | 180.0° |
| C21 | C22 | C23 | C24 | 6.7° | 0.0° |
| C21 | C22 | C23 | C25 | 172.0° | 180.0° |
| H21 | C21 | C22 | C23 | 5.2° | 0.0° |
| H21 | C21 | C22 | H22 | 174.8° | 179.9° |
| C22 | C23 | C24 | C25 | 178.7° | 180.0° |
| C22 | C23 | C24 | H241 | 180.0° | 175.1° |
| C22 | C23 | C24 | H242 | 54.7° | 64.9° |
| C22 | C23 | C24 | H243 | 54.7° | 55.1° |
| C22 | C23 | C25 | C26 | 146.6° | 175.1° |
| C22 | C23 | C25 | H25 | 33.4° | 4.8° |
| H22 | C22 | C23 | C24 | 173.3° | 180.0° |
| H22 | C22 | C23 | C25 | 8.0° | 0.0° |
| C23 | C24 | H241 | H242 | 125.2° | 120.0° |
| C23 | C24 | H241 | H243 | 125.3° | 120.0° |
| C23 | C24 | H242 | H243 | 113.3° | 120.0° |
| C24 | C23 | C25 | C26 | 34.6° | 4.9° |
| C24 | C23 | C25 | H25 | 145.4° | 175.1° |
| C25 | C23 | C24 | H241 | 1.3° | 4.9° |
| C25 | C23 | C24 | H242 | 126.5° | 115.1° |
| C25 | C23 | C24 | H243 | 124.0° | 124.9° |
| C23 | C25 | C26 | H25 | 180.0° | 180.0° |
| C23 | C25 | C26 | C27 | 179.1° | 173.8° |
| C23 | C25 | C26 | H26 | 0.9° | 6.0° |
| H241 | C24 | H242 | H243 | 113.4° | 120.0° |
| C25 | C26 | C27 | H26 | 180.0° | 179.9° |
| C25 | C26 | C27 | C28 | 179.6° | 180.0° |
| C25 | C26 | C27 | H27 | 0.4° | 0.1° |
| H25 | C25 | C26 | C27 | 0.9° | 6.2° |
| H25 | C25 | C26 | H26 | 179.2° | 174.0° |
| C26 | C27 | C28 | H27 | 180.0° | 180.0° |
| C26 | C27 | C28 | C29 | 0.1° | 0.0° |
| C26 | C27 | C28 | C30 | 179.5° | 179.9° |
| H26 | C26 | C27 | C28 | 0.4° | 0.1° |
| H26 | C26 | C27 | H27 | 179.6° | 179.9° |
| C27 | C28 | C29 | C30 | 179.6° | 180.0° |
| C27 | C28 | C29 | H291 | 180.0° | 174.5° |
| C27 | C28 | C29 | H292 | 54.7° | 54.4° |
| C27 | C28 | C29 | H293 | 54.7° | 65.5° |
| C27 | C28 | C30 | C31 | 172.6° | 175.6° |
| C27 | C28 | C30 | H30 | 7.4° | 4.3° |
| H27 | C27 | C28 | C29 | 179.9° | 180.0° |
| H27 | C27 | C28 | C30 | 0.5° | 0.0° |
| C28 | C29 | H291 | H292 | 125.2° | 120.0° |
| C28 | C29 | H291 | H293 | 125.3° | 120.0° |
| C28 | C29 | H292 | H293 | 114.2° | 120.0° |
| C29 | C28 | C30 | C31 | 7.8° | 4.4° |
| C29 | C28 | C30 | H30 | 172.2° | 175.7° |
| C30 | C28 | C29 | H291 | 0.5° | 5.5° |
| C30 | C28 | C29 | H292 | 125.7° | 125.5° |
| C30 | C28 | C29 | H293 | 124.8° | 114.5° |
| C28 | C30 | C31 | H30 | 180.0° | 179.9° |
| C28 | C30 | C31 | C32 | 176.5° | 175.9° |
| C28 | C30 | C31 | H31 | 3.5° | 4.1° |
| H291 | C29 | H292 | H293 | 114.2° | 120.0° |
| C30 | C31 | C32 | H31 | 180.0° | 179.9° |
| C30 | C31 | C32 | C33 | 178.4° | 180.0° |
| C30 | C31 | C32 | H32 | 1.5° | 0.1° |
| H30 | C30 | C31 | C32 | 3.5° | 4.0° |
| H30 | C30 | C31 | H31 | 176.4° | 175.9° |
| C31 | C32 | C33 | H32 | 180.0° | 179.9° |
| C31 | C32 | C33 | C34 | 1.0° | 0.1° |
| C31 | C32 | C33 | C35 | 178.2° | 180.0° |
| H31 | C31 | C32 | C33 | 1.5° | 0.1° |
| H31 | C31 | C32 | H32 | 178.5° | 180.0° |
| C32 | C33 | C34 | C35 | 179.2° | 179.9° |
| C32 | C33 | C34 | H341 | 179.9° | 176.4° |
| C32 | C33 | C34 | H342 | 54.8° | 56.4° |
| C32 | C33 | C34 | H343 | 54.7° | 63.6° |
| C32 | C33 | C35 | C36 | 168.9° | 175.4° |
| C32 | C33 | C35 | H35 | 11.1° | 4.6° |
| H32 | C32 | C33 | C34 | 179.0° | 180.0° |
| H32 | C32 | C33 | C35 | 1.7° | 0.0° |
| C33 | C34 | H341 | H342 | 125.2° | 120.1° |
| C33 | C34 | H341 | H343 | 125.3° | 120.0° |
| C33 | C34 | H342 | H343 | 112.6° | 120.0° |
| C34 | C33 | C35 | C36 | 11.8° | 4.6° |
| C34 | C33 | C35 | H35 | 168.2° | 175.5° |
| C35 | C33 | C34 | H341 | 0.7° | 3.5° |
| C35 | C33 | C34 | H342 | 124.5° | 123.6° |
| C35 | C33 | C34 | H343 | 126.1° | 116.5° |
| C33 | C35 | C36 | H35 | 180.0° | 179.9° |
| C33 | C35 | C36 | C37 | 178.7° | 174.1° |
| C33 | C35 | C36 | H36 | 1.4° | 5.8° |
| H341 | C34 | H342 | H343 | 112.7° | 119.9° |
| C35 | C36 | C37 | H36 | 180.0° | 179.9° |
| C35 | C36 | C37 | C38 | 143.0° | 120.1° |
| C35 | C36 | C37 | H371 | 17.7° | 120.0° |
| C35 | C36 | C37 | H372 | 91.7° | 0.0° |
| H35 | C35 | C36 | C37 | 1.3° | 6.0° |
| H35 | C35 | C36 | H36 | 178.6° | 174.1° |
| C36 | C37 | C38 | H371 | 125.3° | 119.9° |
| C36 | C37 | C38 | H372 | 125.3° | 120.0° |
| C36 | C37 | H371 | H372 | 115.3° | 120.0° |
| C36 | C37 | C38 | C39 | 170.3° | 60.0° |
| C36 | C37 | C38 | C40 | 71.5° | 180.0° |
| C36 | C37 | C38 | O2 | 49.9° | 60.0° |
| H36 | C36 | C37 | C38 | 37.1° | 60.0° |
| H36 | C36 | C37 | H371 | 162.4° | 60.0° |
| H36 | C36 | C37 | H372 | 88.2° | 180.0° |
| C38 | C37 | H371 | H372 | 115.4° | 120.1° |
| C37 | C38 | C39 | C40 | 119.7° | 120.0° |
| C37 | C38 | C39 | O2 | 114.8° | 120.0° |
| C37 | C38 | C40 | O2 | 116.2° | 120.0° |
| C37 | C38 | C39 | H391 | 180.0° | 69.1° |
| C37 | C38 | C39 | H392 | 54.7° | 50.8° |
| C37 | C38 | C39 | H393 | 54.7° | 170.8° |
| C37 | C38 | C40 | H401 | 180.0° | 66.5° |
| C37 | C38 | C40 | H402 | 54.7° | 173.5° |
| C37 | C38 | C40 | H403 | 54.7° | 53.5° |
| C37 | C38 | O2 | C2M | 178.2° | 177.5° |
| H371 | C37 | C38 | C39 | 45.0° | 59.9° |
| H371 | C37 | C38 | C40 | 163.2° | 60.1° |
| H371 | C37 | C38 | O2 | 75.4° | 180.0° |
| H372 | C37 | C38 | C39 | 64.4° | 180.0° |
| H372 | C37 | C38 | C40 | 53.7° | 60.0° |
| H372 | C37 | C38 | O2 | 175.2° | 60.0° |
| C39 | C38 | C40 | O2 | 125.5° | 120.0° |
| C38 | C39 | H391 | H392 | 125.3° | 120.0° |
| C38 | C39 | H391 | H393 | 125.3° | 120.0° |
| C38 | C39 | H392 | H393 | 118.5° | 120.0° |
| C39 | C38 | C40 | H401 | 61.7° | 173.4° |
| C39 | C38 | C40 | H402 | 63.5° | 53.4° |
| C39 | C38 | C40 | H403 | 173.0° | 66.5° |
| C39 | C38 | O2 | C2M | 61.0° | 57.4° |
| C40 | C38 | C39 | H391 | 60.3° | 170.8° |
| C40 | C38 | C39 | H392 | 174.4° | 69.2° |
| C40 | C38 | C39 | H393 | 65.0° | 50.8° |
| C38 | C40 | H401 | H402 | 125.2° | 120.0° |
| C38 | C40 | H401 | H403 | 125.2° | 120.0° |
| C38 | C40 | H402 | H403 | 117.7° | 120.0° |
| C40 | C38 | O2 | C2M | 61.9° | 62.5° |
| O2 | C38 | C39 | H391 | 65.2° | 50.9° |
| O2 | C38 | C39 | H392 | 60.2° | 170.8° |
| O2 | C38 | C39 | H393 | 169.5° | 69.2° |
| O2 | C38 | C40 | H401 | 63.8° | 53.5° |
| O2 | C38 | C40 | H402 | 171.0° | 66.5° |
| O2 | C38 | C40 | H403 | 61.5° | 173.5° |
| C38 | O2 | C2M | H2M1 | 180.0° | 179.8° |
| C38 | O2 | C2M | H2M2 | 54.7° | 60.2° |
| C38 | O2 | C2M | H2M3 | 54.7° | 59.8° |
| H391 | C39 | H392 | H393 | 118.6° | 120.0° |
| H401 | C40 | H402 | H403 | 117.8° | 120.0° |
| O2 | C2M | H2M1 | H2M2 | 125.2° | 120.0° |
| O2 | C2M | H2M1 | H2M3 | 125.2° | 120.0° |
| O2 | C2M | H2M2 | H2M3 | 115.5° | 120.1° |
| H2M1 | C2M | H2M2 | H2M3 | 115.6° | 119.9° |
