Obsolete: 45H
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C10 | C06 | sing | 1.53Å | 1.51Å | |
| C10 | C18 | sing | 1.51Å | 1.48Å | |
| O02 | C18 | doub | 1.22Å | 1.22Å | |
| C06 | C04 | sing | 1.53Å | 1.55Å | |
| C18 | C16 | sing | 1.39Å | 1.47Å | |
| C13 | C04 | sing | 1.53Å | 1.52Å | |
| C04 | C14 | sing | 1.53Å | 1.54Å | |
| C04 | C08 | sing | 1.51Å | 1.52Å | |
| C16 | C08 | doub | 1.38Å | 1.37Å | |
| C16 | C22 | sing | 1.51Å | 1.50Å | |
| C08 | C20 | sing | 1.40Å | 1.46Å | |
| C20 | C24 | doub | 1.38Å | 1.34Å | |
| C24 | C26 | sing | 1.40Å | 1.44Å | |
| C26 | C30 | doub | 1.38Å | 1.33Å | |
| C26 | C28 | sing | 1.51Å | 1.50Å | |
| C30 | C32 | sing | 1.40Å | 1.41Å | |
| C32 | C34 | doub | 1.38Å | 1.33Å | |
| C34 | C36 | sing | 1.40Å | 1.41Å | |
| C38 | C36 | doub | 1.38Å | 1.34Å | |
| C38 | C42 | sing | 1.40Å | 1.39Å | |
| C36 | C40 | sing | 1.51Å | 1.51Å | |
| C39 | C35 | sing | 1.51Å | 1.50Å | |
| C41 | C42 | doub | 1.38Å | 1.33Å | |
| C41 | C37 | sing | 1.40Å | 1.39Å | |
| C35 | C37 | doub | 1.38Å | 1.34Å | |
| C35 | C33 | sing | 1.40Å | 1.43Å | |
| C33 | C31 | doub | 1.38Å | 1.34Å | |
| C31 | C29 | sing | 1.40Å | 1.42Å | |
| C27 | C25 | sing | 1.51Å | 1.50Å | |
| C29 | C25 | doub | 1.38Å | 1.34Å | |
| C25 | C23 | sing | 1.40Å | 1.44Å | |
| C23 | C19 | doub | 1.38Å | 1.34Å | |
| C21 | C15 | sing | 1.51Å | 1.50Å | |
| C19 | C07 | sing | 1.40Å | 1.47Å | |
| C15 | C07 | doub | 1.38Å | 1.36Å | |
| C15 | C17 | sing | 1.39Å | 1.47Å | |
| C07 | C03 | sing | 1.51Å | 1.53Å | |
| C11 | C03 | sing | 1.53Å | 1.53Å | |
| O01 | C17 | doub | 1.22Å | 1.22Å | |
| C17 | C09 | sing | 1.51Å | 1.49Å | |
| C03 | C12 | sing | 1.53Å | 1.53Å | |
| C03 | C05 | sing | 1.53Å | 1.54Å | |
| C09 | C05 | sing | 1.53Å | 1.50Å | |
| C05 | H052 | sing | 1.09Å | 1.10Å | |
| C05 | H051 | sing | 1.09Å | 1.10Å | |
| C06 | H061 | sing | 1.09Å | 1.10Å | |
| C06 | H062 | sing | 1.09Å | 1.10Å | |
| C09 | H091 | sing | 1.09Å | 1.10Å | |
| C09 | H092 | sing | 1.09Å | 1.10Å | |
| C10 | H101 | sing | 1.09Å | 1.10Å | |
| C10 | H102 | sing | 1.09Å | 1.10Å | |
| C11 | H111 | sing | 1.09Å | 1.10Å | |
| C11 | H113 | sing | 1.09Å | 1.10Å | |
| C11 | H112 | sing | 1.09Å | 1.10Å | |
| C12 | H123 | sing | 1.09Å | 1.10Å | |
| C12 | H121 | sing | 1.09Å | 1.10Å | |
| C12 | H122 | sing | 1.09Å | 1.10Å | |
| C13 | H131 | sing | 1.09Å | 1.10Å | |
| C13 | H133 | sing | 1.09Å | 1.10Å | |
| C13 | H132 | sing | 1.09Å | 1.10Å | |
| C14 | H143 | sing | 1.09Å | 1.10Å | |
| C14 | H142 | sing | 1.09Å | 1.10Å | |
| C14 | H141 | sing | 1.09Å | 1.10Å | |
| C19 | H191 | sing | 1.08Å | 1.08Å | |
| C20 | H201 | sing | 1.08Å | 1.08Å | |
| C21 | H211 | sing | 1.09Å | 1.10Å | |
| C21 | H213 | sing | 1.09Å | 1.10Å | |
| C21 | H212 | sing | 1.09Å | 1.10Å | |
| C22 | H223 | sing | 1.09Å | 1.10Å | |
| C22 | H222 | sing | 1.09Å | 1.10Å | |
| C22 | H221 | sing | 1.09Å | 1.10Å | |
| C23 | H231 | sing | 1.08Å | 1.08Å | |
| C24 | H241 | sing | 1.08Å | 1.08Å | |
| C27 | H271 | sing | 1.09Å | 1.10Å | |
| C27 | H272 | sing | 1.09Å | 1.10Å | |
| C27 | H273 | sing | 1.09Å | 1.10Å | |
| C28 | H283 | sing | 1.09Å | 1.10Å | |
| C28 | H282 | sing | 1.09Å | 1.10Å | |
| C28 | H281 | sing | 1.09Å | 1.10Å | |
| C29 | H291 | sing | 1.08Å | 1.08Å | |
| C30 | H301 | sing | 1.08Å | 1.08Å | |
| C31 | H311 | sing | 1.08Å | 1.08Å | |
| C32 | H321 | sing | 1.08Å | 1.08Å | |
| C33 | H331 | sing | 1.08Å | 1.08Å | |
| C34 | H341 | sing | 1.08Å | 1.08Å | |
| C37 | H371 | sing | 1.08Å | 1.08Å | |
| C38 | H381 | sing | 1.08Å | 1.08Å | |
| C39 | H392 | sing | 1.09Å | 1.10Å | |
| C39 | H393 | sing | 1.09Å | 1.10Å | |
| C39 | H391 | sing | 1.09Å | 1.10Å | |
| C40 | H402 | sing | 1.09Å | 1.10Å | |
| C40 | H403 | sing | 1.09Å | 1.10Å | |
| C40 | H401 | sing | 1.09Å | 1.10Å | |
| C41 | H411 | sing | 1.08Å | 1.08Å | |
| C42 | H421 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C06 | C10 | C18 | 107.8° | 109.2° |
| C10 | C06 | C04 | 110.7° | 109.0° |
| C10 | C06 | H061 | 109.2° | 109.6° |
| C10 | C06 | H062 | 109.1° | 109.6° |
| C06 | C10 | H101 | 109.9° | 109.4° |
| C06 | C10 | H102 | 109.9° | 109.5° |
| C10 | C18 | O02 | 120.4° | 119.6° |
| C10 | C18 | C16 | 117.5° | 120.7° |
| C18 | C10 | H101 | 109.9° | 109.5° |
| C18 | C10 | H102 | 109.9° | 109.5° |
| O02 | C18 | C16 | 122.1° | 119.7° |
| C06 | C04 | C13 | 111.1° | 109.5° |
| C06 | C04 | C14 | 107.7° | 109.5° |
| C06 | C04 | C08 | 108.2° | 109.4° |
| C04 | C06 | H061 | 109.1° | 109.6° |
| C04 | C06 | H062 | 109.2° | 109.5° |
| C18 | C16 | C08 | 121.8° | 121.3° |
| C18 | C16 | C22 | 112.7° | 119.3° |
| C13 | C04 | C14 | 102.7° | 109.5° |
| C13 | C04 | C08 | 115.3° | 109.5° |
| C04 | C13 | H131 | 109.5° | 109.5° |
| C04 | C13 | H133 | 109.5° | 109.5° |
| C04 | C13 | H132 | 109.5° | 109.5° |
| C14 | C04 | C08 | 111.5° | 109.5° |
| C04 | C14 | H143 | 109.5° | 109.5° |
| C04 | C14 | H142 | 109.5° | 109.5° |
| C04 | C14 | H141 | 109.5° | 109.5° |
| C04 | C08 | C16 | 120.4° | 120.9° |
| C04 | C08 | C20 | 118.4° | 119.6° |
| C08 | C16 | C22 | 125.5° | 119.4° |
| C16 | C08 | C20 | 121.1° | 119.5° |
| C16 | C22 | H223 | 109.5° | 109.5° |
| C16 | C22 | H222 | 109.5° | 109.5° |
| C16 | C22 | H221 | 109.5° | 109.5° |
| C08 | C20 | C24 | 127.2° | 120.0° |
| C08 | C20 | H201 | 116.4° | 120.0° |
| C20 | C24 | C26 | 130.3° | 120.0° |
| C24 | C20 | H201 | 116.4° | 120.0° |
| C20 | C24 | H241 | 114.8° | 120.0° |
| C24 | C26 | C30 | 122.3° | 120.0° |
| C24 | C26 | C28 | 117.7° | 120.0° |
| C26 | C24 | H241 | 114.9° | 120.0° |
| C30 | C26 | C28 | 120.0° | 120.0° |
| C26 | C30 | C32 | 130.7° | 120.0° |
| C26 | C30 | H301 | 114.7° | 120.0° |
| C26 | C28 | H283 | 109.5° | 109.5° |
| C26 | C28 | H282 | 109.5° | 109.5° |
| C26 | C28 | H281 | 109.5° | 109.5° |
| C30 | C32 | C34 | 122.5° | 120.0° |
| C32 | C30 | H301 | 114.6° | 119.9° |
| C30 | C32 | H321 | 118.8° | 119.9° |
| C32 | C34 | C36 | 132.7° | 120.0° |
| C34 | C32 | H321 | 118.7° | 120.0° |
| C32 | C34 | H341 | 113.6° | 120.0° |
| C34 | C36 | C38 | 121.2° | 120.0° |
| C34 | C36 | C40 | 117.2° | 120.0° |
| C36 | C34 | H341 | 113.6° | 120.0° |
| C36 | C38 | C42 | 130.7° | 120.0° |
| C38 | C36 | C40 | 121.6° | 120.0° |
| C36 | C38 | H381 | 114.7° | 120.0° |
| C38 | C42 | C41 | 127.7° | 120.0° |
| C42 | C38 | H381 | 114.6° | 120.0° |
| C38 | C42 | H421 | 116.2° | 120.0° |
| C36 | C40 | H402 | 109.5° | 109.5° |
| C36 | C40 | H403 | 109.4° | 109.4° |
| C36 | C40 | H401 | 109.5° | 109.5° |
| C39 | C35 | C37 | 121.4° | 120.0° |
| C39 | C35 | C33 | 116.1° | 120.0° |
| C35 | C39 | H392 | 109.5° | 109.5° |
| C35 | C39 | H393 | 109.4° | 109.4° |
| C35 | C39 | H391 | 109.5° | 109.5° |
| C42 | C41 | C37 | 127.1° | 120.0° |
| C42 | C41 | H411 | 116.5° | 120.0° |
| C41 | C42 | H421 | 116.1° | 120.0° |
| C41 | C37 | C35 | 132.1° | 120.0° |
| C41 | C37 | H371 | 114.0° | 120.0° |
| C37 | C41 | H411 | 116.5° | 120.0° |
| C37 | C35 | C33 | 122.5° | 120.0° |
| C35 | C37 | H371 | 113.9° | 120.0° |
| C35 | C33 | C31 | 131.7° | 120.0° |
| C35 | C33 | H331 | 114.1° | 120.0° |
| C33 | C31 | C29 | 123.0° | 120.0° |
| C33 | C31 | H311 | 118.5° | 120.0° |
| C31 | C33 | H331 | 114.2° | 120.0° |
| C31 | C29 | C25 | 130.9° | 120.0° |
| C31 | C29 | H291 | 114.5° | 120.0° |
| C29 | C31 | H311 | 118.5° | 120.0° |
| C27 | C25 | C29 | 120.3° | 120.0° |
| C27 | C25 | C23 | 116.5° | 120.0° |
| C25 | C27 | H271 | 109.5° | 109.4° |
| C25 | C27 | H272 | 109.4° | 109.4° |
| C25 | C27 | H273 | 109.5° | 109.4° |
| C29 | C25 | C23 | 123.1° | 120.0° |
| C25 | C29 | H291 | 114.6° | 120.0° |
| C25 | C23 | C19 | 128.5° | 120.0° |
| C25 | C23 | H231 | 115.8° | 120.0° |
| C23 | C19 | C07 | 129.1° | 120.0° |
| C23 | C19 | H191 | 115.5° | 120.0° |
| C19 | C23 | H231 | 115.8° | 120.0° |
| C21 | C15 | C07 | 124.3° | 119.3° |
| C21 | C15 | C17 | 112.8° | 119.3° |
| C15 | C21 | H211 | 109.5° | 109.5° |
| C15 | C21 | H213 | 109.5° | 109.5° |
| C15 | C21 | H212 | 109.5° | 109.5° |
| C19 | C07 | C15 | 118.3° | 119.5° |
| C19 | C07 | C03 | 120.0° | 119.6° |
| C07 | C19 | H191 | 115.4° | 120.0° |
| C07 | C15 | C17 | 122.2° | 121.4° |
| C15 | C07 | C03 | 120.4° | 120.8° |
| C15 | C17 | O01 | 121.7° | 119.7° |
| C15 | C17 | C09 | 118.5° | 120.6° |
| C07 | C03 | C11 | 113.5° | 109.5° |
| C07 | C03 | C12 | 114.4° | 109.5° |
| C07 | C03 | C05 | 106.7° | 109.4° |
| C11 | C03 | C12 | 105.4° | 109.5° |
| C11 | C03 | C05 | 110.3° | 109.5° |
| C03 | C11 | H111 | 109.5° | 109.5° |
| C03 | C11 | H113 | 109.5° | 109.5° |
| C03 | C11 | H112 | 109.5° | 109.4° |
| O01 | C17 | C09 | 119.8° | 119.7° |
| C17 | C09 | C05 | 107.2° | 109.3° |
| C17 | C09 | H091 | 110.1° | 109.5° |
| C17 | C09 | H092 | 110.0° | 109.6° |
| C12 | C03 | C05 | 106.4° | 109.5° |
| C03 | C12 | H123 | 109.5° | 109.5° |
| C03 | C12 | H121 | 109.5° | 109.5° |
| C03 | C12 | H122 | 109.5° | 109.5° |
| C03 | C05 | C09 | 111.6° | 108.9° |
| C03 | C05 | H052 | 108.9° | 109.5° |
| C03 | C05 | H051 | 109.0° | 109.5° |
| C09 | C05 | H052 | 109.0° | 109.6° |
| C09 | C05 | H051 | 108.9° | 109.7° |
| C05 | C09 | H091 | 110.0° | 109.5° |
| C05 | C09 | H092 | 110.0° | 109.5° |
| H052 | C05 | H051 | 109.5° | 109.6° |
| H061 | C06 | H062 | 109.5° | 109.6° |
| H091 | C09 | H092 | 109.5° | 109.5° |
| H101 | C10 | H102 | 109.5° | 109.6° |
| H111 | C11 | H113 | 109.5° | 109.5° |
| H111 | C11 | H112 | 109.4° | 109.5° |
| H113 | C11 | H112 | 109.5° | 109.4° |
| H123 | C12 | H121 | 109.5° | 109.5° |
| H123 | C12 | H122 | 109.5° | 109.5° |
| H121 | C12 | H122 | 109.5° | 109.5° |
| H131 | C13 | H133 | 109.5° | 109.5° |
| H131 | C13 | H132 | 109.5° | 109.4° |
| H133 | C13 | H132 | 109.4° | 109.4° |
| H143 | C14 | H142 | 109.5° | 109.5° |
| H143 | C14 | H141 | 109.4° | 109.5° |
| H142 | C14 | H141 | 109.5° | 109.4° |
| H211 | C21 | H213 | 109.5° | 109.5° |
| H211 | C21 | H212 | 109.4° | 109.4° |
| H213 | C21 | H212 | 109.5° | 109.5° |
| H223 | C22 | H222 | 109.5° | 109.5° |
| H223 | C22 | H221 | 109.5° | 109.4° |
| H222 | C22 | H221 | 109.4° | 109.5° |
| H271 | C27 | H272 | 109.5° | 109.5° |
| H271 | C27 | H273 | 109.4° | 109.5° |
| H272 | C27 | H273 | 109.5° | 109.6° |
| H283 | C28 | H282 | 109.5° | 109.5° |
| H283 | C28 | H281 | 109.5° | 109.5° |
| H282 | C28 | H281 | 109.4° | 109.4° |
| H392 | C39 | H393 | 109.5° | 109.4° |
| H392 | C39 | H391 | 109.4° | 109.5° |
| H393 | C39 | H391 | 109.5° | 109.5° |
| H402 | C40 | H403 | 109.5° | 109.6° |
| H402 | C40 | H401 | 109.4° | 109.5° |
| H403 | C40 | H401 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C06 | C10 | C18 | H101 | 119.7° | 119.8° |
| C06 | C10 | C18 | H102 | 119.7° | 119.9° |
| C06 | C10 | C18 | O02 | 148.3° | 150.7° |
| C10 | C06 | C04 | H061 | 120.2° | 119.9° |
| C10 | C06 | C04 | H062 | 120.2° | 119.9° |
| C06 | C10 | C18 | C16 | 31.2° | 29.2° |
| C10 | C06 | C04 | C13 | 71.9° | 177.6° |
| C10 | C06 | C04 | C14 | 176.3° | 62.4° |
| C10 | C06 | C04 | C08 | 55.7° | 57.6° |
| C10 | C06 | H061 | H062 | 119.4° | 120.3° |
| C06 | C10 | H101 | H102 | 120.8° | 120.1° |
| C10 | C18 | O02 | C16 | 179.4° | 180.0° |
| C18 | C10 | C06 | C04 | 64.2° | 57.3° |
| C10 | C18 | C16 | C08 | 9.5° | 0.0° |
| C10 | C18 | C16 | C22 | 173.5° | 180.0° |
| C18 | C10 | C06 | H061 | 175.7° | 177.2° |
| C18 | C10 | C06 | H062 | 56.0° | 62.5° |
| C18 | C10 | H101 | H102 | 120.8° | 120.2° |
| O02 | C18 | C16 | C08 | 171.1° | 179.9° |
| O02 | C18 | C16 | C22 | 5.9° | 0.0° |
| O02 | C18 | C10 | H101 | 28.5° | 89.4° |
| O02 | C18 | C10 | H102 | 92.0° | 30.8° |
| C06 | C04 | C13 | C14 | 114.9° | 120.0° |
| C06 | C04 | C13 | C08 | 123.6° | 119.9° |
| C06 | C04 | C14 | C08 | 118.6° | 119.9° |
| C06 | C04 | C08 | C16 | 14.3° | 29.5° |
| C06 | C04 | C08 | C20 | 161.7° | 150.4° |
| C04 | C06 | H061 | H062 | 119.5° | 120.2° |
| C04 | C06 | C10 | H101 | 176.1° | 62.6° |
| C04 | C06 | C10 | H102 | 55.6° | 177.3° |
| C06 | C04 | C13 | H131 | 180.0° | 175.7° |
| C06 | C04 | C13 | H133 | 60.0° | 55.6° |
| C06 | C04 | C13 | H132 | 60.0° | 64.3° |
| C06 | C04 | C14 | H143 | 180.0° | 179.9° |
| C06 | C04 | C14 | H142 | 60.0° | 60.1° |
| C06 | C04 | C14 | H141 | 60.0° | 59.9° |
| C18 | C16 | C08 | C04 | 18.3° | 0.2° |
| C18 | C16 | C08 | C22 | 176.7° | 180.0° |
| C18 | C16 | C08 | C20 | 165.8° | 179.8° |
| C16 | C18 | C10 | H101 | 150.9° | 90.6° |
| C16 | C18 | C10 | H102 | 88.6° | 149.1° |
| C18 | C16 | C22 | H223 | 180.0° | 90.0° |
| C18 | C16 | C22 | H222 | 60.0° | 30.0° |
| C18 | C16 | C22 | H221 | 60.0° | 150.0° |
| C13 | C04 | C14 | C08 | 124.1° | 120.1° |
| C13 | C04 | C08 | C16 | 110.8° | 149.5° |
| C13 | C04 | C08 | C20 | 73.2° | 30.4° |
| C13 | C04 | C06 | H061 | 48.3° | 62.5° |
| C13 | C04 | C06 | H062 | 168.0° | 57.7° |
| C04 | C13 | H131 | H133 | 120.0° | 120.1° |
| C04 | C13 | H131 | H132 | 120.0° | 120.0° |
| C04 | C13 | H133 | H132 | 120.0° | 120.0° |
| C13 | C04 | C14 | H143 | 62.7° | 60.1° |
| C13 | C04 | C14 | H142 | 57.4° | 60.0° |
| C13 | C04 | C14 | H141 | 177.4° | 179.9° |
| C14 | C04 | C08 | C16 | 132.5° | 90.4° |
| C14 | C04 | C08 | C20 | 43.5° | 89.6° |
| C14 | C04 | C06 | H061 | 63.5° | 57.5° |
| C14 | C04 | C06 | H062 | 56.2° | 177.7° |
| C14 | C04 | C13 | H131 | 65.1° | 64.3° |
| C14 | C04 | C13 | H133 | 174.9° | 175.6° |
| C14 | C04 | C13 | H132 | 54.9° | 55.7° |
| C04 | C14 | H143 | H142 | 120.0° | 120.0° |
| C04 | C14 | H143 | H141 | 120.0° | 120.0° |
| C04 | C14 | H142 | H141 | 120.0° | 120.0° |
| C04 | C08 | C16 | C20 | 175.9° | 180.0° |
| C04 | C08 | C16 | C22 | 165.0° | 179.9° |
| C04 | C08 | C20 | C24 | 144.3° | 122.5° |
| C08 | C04 | C06 | H061 | 175.9° | 177.5° |
| C08 | C04 | C06 | H062 | 64.5° | 62.3° |
| C08 | C04 | C13 | H131 | 56.4° | 55.8° |
| C08 | C04 | C13 | H133 | 63.6° | 64.3° |
| C08 | C04 | C13 | H132 | 176.4° | 175.7° |
| C08 | C04 | C14 | H143 | 61.4° | 60.0° |
| C08 | C04 | C14 | H142 | 178.6° | 180.0° |
| C08 | C04 | C14 | H141 | 58.6° | 60.0° |
| C04 | C08 | C20 | H201 | 35.7° | 57.5° |
| C16 | C08 | C20 | C24 | 39.8° | 57.6° |
| C16 | C08 | C20 | H201 | 140.3° | 122.5° |
| C08 | C16 | C22 | H223 | 3.1° | 90.0° |
| C08 | C16 | C22 | H222 | 123.1° | 150.0° |
| C08 | C16 | C22 | H221 | 117.0° | 29.9° |
| C22 | C16 | C08 | C20 | 10.9° | 0.2° |
| C16 | C22 | H223 | H222 | 120.0° | 120.0° |
| C16 | C22 | H223 | H221 | 120.0° | 120.0° |
| C16 | C22 | H222 | H221 | 120.0° | 120.0° |
| C08 | C20 | C24 | H201 | 180.0° | 179.9° |
| C08 | C20 | C24 | C26 | 179.0° | 175.7° |
| C08 | C20 | C24 | H241 | 1.0° | 4.3° |
| C20 | C24 | C26 | H241 | 180.0° | 180.0° |
| C20 | C24 | C26 | C30 | 170.0° | 180.0° |
| C20 | C24 | C26 | C28 | 9.4° | 0.0° |
| C24 | C26 | C30 | C28 | 179.5° | 180.0° |
| C24 | C26 | C30 | C32 | 178.0° | 180.0° |
| C26 | C24 | C20 | H201 | 1.0° | 4.2° |
| C24 | C26 | C28 | H283 | 180.0° | 90.0° |
| C24 | C26 | C28 | H282 | 60.0° | 150.0° |
| C24 | C26 | C28 | H281 | 60.0° | 30.1° |
| C24 | C26 | C30 | H301 | 2.0° | 0.0° |
| C26 | C30 | C32 | H301 | 180.0° | 180.0° |
| C26 | C30 | C32 | C34 | 177.2° | NaN° |
| C30 | C26 | C24 | H241 | 10.0° | 0.0° |
| C30 | C26 | C28 | H283 | 0.5° | 90.0° |
| C30 | C26 | C28 | H282 | 119.5° | 30.0° |
| C30 | C26 | C28 | H281 | 120.5° | 150.0° |
| C26 | C30 | C32 | H321 | 2.8° | 0.0° |
| C28 | C26 | C30 | C32 | 1.4° | 0.0° |
| C28 | C26 | C24 | H241 | 170.6° | 180.0° |
| C26 | C28 | H283 | H282 | 120.0° | 120.0° |
| C26 | C28 | H283 | H281 | 120.0° | 120.0° |
| C26 | C28 | H282 | H281 | 120.0° | 120.0° |
| C28 | C26 | C30 | H301 | 178.6° | 180.0° |
| C30 | C32 | C34 | H321 | 180.0° | 180.0° |
| C30 | C32 | C34 | C36 | 176.8° | 180.0° |
| C30 | C32 | C34 | H341 | 3.3° | 0.0° |
| C32 | C34 | C36 | H341 | 180.0° | 180.0° |
| C32 | C34 | C36 | C38 | 172.8° | 180.0° |
| C32 | C34 | C36 | C40 | 5.4° | 0.0° |
| C34 | C32 | C30 | H301 | 2.8° | 0.0° |
| C34 | C36 | C38 | C40 | 178.1° | 180.0° |
| C34 | C36 | C38 | C42 | 175.8° | 180.0° |
| C36 | C34 | C32 | H321 | 3.3° | 0.0° |
| C34 | C36 | C38 | H381 | 4.1° | 0.1° |
| C34 | C36 | C40 | H402 | 180.0° | 89.9° |
| C34 | C36 | C40 | H403 | 60.0° | 150.0° |
| C34 | C36 | C40 | H401 | 60.0° | 30.0° |
| C36 | C38 | C42 | H381 | 180.0° | 179.9° |
| C36 | C38 | C42 | C41 | 173.9° | 180.0° |
| C38 | C36 | C34 | H341 | 7.3° | 0.0° |
| C38 | C36 | C40 | H402 | 1.8° | 90.0° |
| C38 | C36 | C40 | H403 | 118.2° | 30.1° |
| C38 | C36 | C40 | H401 | 121.8° | 150.0° |
| C36 | C38 | C42 | H421 | 6.1° | 0.0° |
| C42 | C38 | C36 | C40 | 2.2° | 0.0° |
| C38 | C42 | C41 | H421 | 180.0° | 180.0° |
| C38 | C42 | C41 | C37 | 176.0° | NaN° |
| C38 | C42 | C41 | H411 | 4.0° | 0.1° |
| C40 | C36 | C34 | H341 | 174.6° | 180.0° |
| C40 | C36 | C38 | H381 | 177.8° | 180.0° |
| C36 | C40 | H402 | H403 | 120.0° | 120.0° |
| C36 | C40 | H402 | H401 | 120.0° | 120.0° |
| C36 | C40 | H403 | H401 | 120.0° | 120.0° |
| C39 | C35 | C37 | C41 | 3.7° | 0.0° |
| C39 | C35 | C37 | C33 | 177.9° | 180.0° |
| C39 | C35 | C33 | C31 | 3.4° | 0.0° |
| C39 | C35 | C33 | H331 | 176.6° | 180.0° |
| C39 | C35 | C37 | H371 | 176.2° | 180.0° |
| C35 | C39 | H392 | H393 | 120.0° | 119.9° |
| C35 | C39 | H392 | H391 | 120.0° | 120.1° |
| C35 | C39 | H393 | H391 | 120.0° | 120.1° |
| C42 | C41 | C37 | H411 | 180.0° | 179.9° |
| C42 | C41 | C37 | C35 | 175.8° | NaN° |
| C42 | C41 | C37 | H371 | 4.2° | 0.0° |
| C41 | C42 | C38 | H381 | 6.1° | 0.1° |
| C41 | C37 | C35 | H371 | 180.0° | 180.0° |
| C41 | C37 | C35 | C33 | 178.4° | 180.0° |
| C37 | C41 | C42 | H421 | 4.0° | 0.0° |
| C37 | C35 | C33 | C31 | 178.6° | 180.0° |
| C37 | C35 | C33 | H331 | 1.4° | 0.0° |
| C37 | C35 | C39 | H392 | 180.0° | 90.0° |
| C37 | C35 | C39 | H393 | 60.0° | 150.1° |
| C37 | C35 | C39 | H391 | 60.0° | 30.0° |
| C35 | C37 | C41 | H411 | 4.2° | 0.1° |
| C35 | C33 | C31 | H331 | 180.0° | 180.0° |
| C35 | C33 | C31 | C29 | 179.7° | 180.0° |
| C35 | C33 | C31 | H311 | 0.4° | 0.0° |
| C33 | C35 | C37 | H371 | 1.7° | 0.0° |
| C33 | C35 | C39 | H392 | 2.0° | 89.9° |
| C33 | C35 | C39 | H393 | 118.0° | 30.0° |
| C33 | C35 | C39 | H391 | 122.0° | 150.0° |
| C33 | C31 | C29 | H311 | 180.0° | 179.9° |
| C33 | C31 | C29 | C25 | 179.7° | NaN° |
| C33 | C31 | C29 | H291 | 0.3° | 0.1° |
| C31 | C29 | C25 | C27 | 2.2° | 0.1° |
| C31 | C29 | C25 | H291 | 180.0° | 179.9° |
| C31 | C29 | C25 | C23 | 178.5° | 180.0° |
| C29 | C31 | C33 | H331 | 0.3° | 0.1° |
| C27 | C25 | C29 | C23 | 176.3° | 180.0° |
| C27 | C25 | C23 | C19 | 14.8° | 0.0° |
| C27 | C25 | C23 | H231 | 165.1° | 180.0° |
| C25 | C27 | H271 | H272 | 120.0° | 119.9° |
| C25 | C27 | H271 | H273 | 120.0° | 119.9° |
| C25 | C27 | H272 | H273 | 120.0° | 120.0° |
| C27 | C25 | C29 | H291 | 177.8° | 180.0° |
| C29 | C25 | C23 | C19 | 168.7° | 180.0° |
| C29 | C25 | C23 | H231 | 11.3° | 0.0° |
| C29 | C25 | C27 | H271 | 180.0° | 90.0° |
| C29 | C25 | C27 | H272 | 60.0° | 30.0° |
| C29 | C25 | C27 | H273 | 60.0° | 150.1° |
| C25 | C29 | C31 | H311 | 0.4° | 0.1° |
| C25 | C23 | C19 | H231 | 180.0° | 179.9° |
| C25 | C23 | C19 | C07 | 177.5° | 177.3° |
| C25 | C23 | C19 | H191 | 2.5° | 2.6° |
| C23 | C25 | C27 | H271 | 3.5° | 90.0° |
| C23 | C25 | C27 | H272 | 123.5° | 150.0° |
| C23 | C25 | C27 | H273 | 116.5° | 29.9° |
| C23 | C25 | C29 | H291 | 1.5° | 0.0° |
| C23 | C19 | C07 | H191 | 180.0° | 180.0° |
| C23 | C19 | C07 | C15 | 146.1° | 57.0° |
| C23 | C19 | C07 | C03 | 21.2° | 123.0° |
| C21 | C15 | C07 | C19 | 0.0° | 0.1° |
| C21 | C15 | C07 | C17 | 170.1° | 180.0° |
| C21 | C15 | C07 | C03 | 167.3° | 179.8° |
| C21 | C15 | C17 | O01 | 14.3° | 0.0° |
| C21 | C15 | C17 | C09 | 165.3° | 180.0° |
| C15 | C21 | H211 | H213 | 120.0° | 120.0° |
| C15 | C21 | H211 | H212 | 120.0° | 120.0° |
| C15 | C21 | H213 | H212 | 120.0° | 120.0° |
| C19 | C07 | C15 | C03 | 167.3° | 179.9° |
| C19 | C07 | C15 | C17 | 170.1° | 179.8° |
| C19 | C07 | C03 | C11 | 74.0° | 30.5° |
| C19 | C07 | C03 | C12 | 47.0° | 89.5° |
| C19 | C07 | C03 | C05 | 164.3° | 150.5° |
| C07 | C19 | C23 | H231 | 2.5° | 2.6° |
| C15 | C07 | C03 | C11 | 93.1° | 149.6° |
| C07 | C15 | C17 | O01 | 174.6° | 179.9° |
| C07 | C15 | C17 | C09 | 5.8° | 0.0° |
| C15 | C07 | C03 | C12 | 145.9° | 90.4° |
| C15 | C07 | C03 | C05 | 28.6° | 29.6° |
| C15 | C07 | C19 | H191 | 33.9° | 123.0° |
| C07 | C15 | C21 | H211 | 180.0° | 90.0° |
| C07 | C15 | C21 | H213 | 60.0° | 150.0° |
| C07 | C15 | C21 | H212 | 60.0° | 30.0° |
| C17 | C15 | C07 | C03 | 2.8° | 0.2° |
| C15 | C17 | O01 | C09 | 179.6° | 180.0° |
| C15 | C17 | C09 | C05 | 35.1° | 29.3° |
| C15 | C17 | C09 | H091 | 154.7° | 149.2° |
| C15 | C17 | C09 | H092 | 84.6° | 90.7° |
| C17 | C15 | C21 | H211 | 9.0° | 90.0° |
| C17 | C15 | C21 | H213 | 129.1° | 30.0° |
| C17 | C15 | C21 | H212 | 110.9° | 150.0° |
| C07 | C03 | C11 | C12 | 125.9° | 120.1° |
| C07 | C03 | C11 | C05 | 119.7° | 119.9° |
| C07 | C03 | C12 | C05 | 117.5° | 119.9° |
| C07 | C03 | C05 | C09 | 60.3° | 57.7° |
| C07 | C03 | C05 | H052 | 179.4° | 62.2° |
| C07 | C03 | C05 | H051 | 60.1° | 177.6° |
| C07 | C03 | C11 | H111 | 180.0° | 175.7° |
| C07 | C03 | C11 | H113 | 60.0° | 64.3° |
| C07 | C03 | C11 | H112 | 60.0° | 55.6° |
| C07 | C03 | C12 | H123 | 180.0° | 179.9° |
| C07 | C03 | C12 | H121 | 60.0° | 60.1° |
| C07 | C03 | C12 | H122 | 60.0° | 59.9° |
| C03 | C07 | C19 | H191 | 158.8° | 57.0° |
| C11 | C03 | C12 | C05 | 117.1° | 120.0° |
| C11 | C03 | C05 | C09 | 63.5° | 177.6° |
| C11 | C03 | C05 | H052 | 56.8° | 57.8° |
| C11 | C03 | C05 | H051 | 176.2° | 62.4° |
| C03 | C11 | H111 | H113 | 120.0° | 120.0° |
| C03 | C11 | H111 | H112 | 120.0° | 120.0° |
| C03 | C11 | H113 | H112 | 120.0° | 119.9° |
| C11 | C03 | C12 | H123 | 54.6° | 60.0° |
| C11 | C03 | C12 | H121 | 65.4° | 60.0° |
| C11 | C03 | C12 | H122 | 174.6° | 180.0° |
| O01 | C17 | C09 | C05 | 145.3° | 150.7° |
| O01 | C17 | C09 | H091 | 25.7° | 30.8° |
| O01 | C17 | C09 | H092 | 95.1° | 89.3° |
| C17 | C09 | C05 | C03 | 63.7° | 57.4° |
| C17 | C09 | C05 | H091 | 119.7° | 119.9° |
| C17 | C09 | C05 | H092 | 119.6° | 120.0° |
| C17 | C09 | C05 | H052 | 176.0° | 62.4° |
| C17 | C09 | C05 | H051 | 56.6° | 177.3° |
| C17 | C09 | H091 | H092 | 121.1° | 120.1° |
| C12 | C03 | C05 | C09 | 177.3° | 62.3° |
| C12 | C03 | C05 | H052 | 56.9° | 177.8° |
| C12 | C03 | C05 | H051 | 62.4° | 57.6° |
| C12 | C03 | C11 | H111 | 54.1° | 55.6° |
| C12 | C03 | C11 | H113 | 174.1° | 175.6° |
| C12 | C03 | C11 | H112 | 65.9° | 64.4° |
| C03 | C12 | H123 | H121 | 120.0° | 120.0° |
| C03 | C12 | H123 | H122 | 120.0° | 120.0° |
| C03 | C12 | H121 | H122 | 120.0° | 120.0° |
| C03 | C05 | C09 | H052 | 120.3° | 119.8° |
| C03 | C05 | C09 | H051 | 120.3° | 119.9° |
| C03 | C05 | H052 | H051 | 119.1° | 120.2° |
| C03 | C05 | C09 | H091 | 176.6° | 177.4° |
| C03 | C05 | C09 | H092 | 55.9° | 62.6° |
| C05 | C03 | C11 | H111 | 60.3° | 64.4° |
| C05 | C03 | C11 | H113 | 59.7° | 55.6° |
| C05 | C03 | C11 | H112 | 179.7° | 175.5° |
| C05 | C03 | C12 | H123 | 62.5° | 60.0° |
| C05 | C03 | C12 | H121 | 177.5° | 180.0° |
| C05 | C03 | C12 | H122 | 57.5° | 60.0° |
| C09 | C05 | H052 | H051 | 119.0° | 120.4° |
| C05 | C09 | H091 | H092 | 121.1° | 120.1° |
| H052 | C05 | C09 | H091 | 56.3° | 57.5° |
| H052 | C05 | C09 | H092 | 64.4° | 177.6° |
| H051 | C05 | C09 | H091 | 63.0° | 62.8° |
| H051 | C05 | C09 | H092 | 176.3° | 57.3° |
| H061 | C06 | C10 | H101 | 55.9° | 57.3° |
| H061 | C06 | C10 | H102 | 64.6° | 62.8° |
| H062 | C06 | C10 | H101 | 63.7° | 177.6° |
| H062 | C06 | C10 | H102 | 175.7° | 57.4° |
| H111 | C11 | H113 | H112 | 120.0° | 120.1° |
| H123 | C12 | H121 | H122 | 120.0° | 120.0° |
| H131 | C13 | H133 | H132 | 120.0° | 120.0° |
| H143 | C14 | H142 | H141 | 120.0° | 120.0° |
| H191 | C19 | C23 | H231 | 177.5° | 177.4° |
| H201 | C20 | C24 | H241 | 179.0° | 175.8° |
| H211 | C21 | H213 | H212 | 119.9° | 119.9° |
| H223 | C22 | H222 | H221 | 120.0° | 120.0° |
| H271 | C27 | H272 | H273 | 120.0° | 120.1° |
| H283 | C28 | H282 | H281 | 119.9° | 120.0° |
| H291 | C29 | C31 | H311 | 179.7° | 180.0° |
| H301 | C30 | C32 | H321 | 177.2° | 180.0° |
| H311 | C31 | C33 | H331 | 179.6° | 180.0° |
| H321 | C32 | C34 | H341 | 176.7° | 180.0° |
| H371 | C37 | C41 | H411 | 175.8° | 179.9° |
| H381 | C38 | C42 | H421 | 173.9° | 179.9° |
| H392 | C39 | H393 | H391 | 120.0° | 120.0° |
| H402 | C40 | H403 | H401 | 120.0° | 120.0° |
| H411 | C41 | C42 | H421 | 176.0° | 179.9° |
