45D
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O01 | C17 | doub | 1.22Å | 1.23Å | |
| C17 | C09 | sing | 1.51Å | 1.51Å | |
| C17 | C15 | sing | 1.40Å | 1.50Å | |
| C21 | C15 | sing | 1.51Å | 1.48Å | |
| C09 | C05 | sing | 1.53Å | 1.52Å | |
| C15 | C07 | doub | 1.38Å | 1.36Å | |
| C05 | C03 | sing | 1.53Å | 1.54Å | |
| C07 | C03 | sing | 1.51Å | 1.51Å | |
| C07 | C19 | sing | 1.40Å | 1.44Å | |
| C03 | C12 | sing | 1.53Å | 1.55Å | |
| C03 | C11 | sing | 1.53Å | 1.51Å | |
| C19 | C23 | doub | 1.38Å | 1.34Å | |
| C23 | C25 | sing | 1.40Å | 1.43Å | |
| C25 | C27 | sing | 1.51Å | 1.49Å | |
| C25 | C29 | doub | 1.38Å | 1.35Å | |
| C29 | C31 | sing | 1.40Å | 1.42Å | |
| C31 | C33 | doub | 1.38Å | 1.35Å | |
| C33 | C35 | sing | 1.40Å | 1.45Å | |
| C35 | C37 | doub | 1.38Å | 1.35Å | |
| C35 | C39 | sing | 1.51Å | 1.52Å | |
| C37 | C41 | sing | 1.40Å | 1.41Å | |
| C41 | C42 | doub | 1.38Å | 1.35Å | |
| C42 | C38 | sing | 1.40Å | 1.42Å | |
| C40 | C36 | sing | 1.51Å | 1.50Å | |
| C38 | C36 | doub | 1.38Å | 1.34Å | |
| C36 | C34 | sing | 1.40Å | 1.43Å | |
| C34 | C32 | doub | 1.38Å | 1.34Å | |
| C32 | C30 | sing | 1.40Å | 1.42Å | |
| C28 | C26 | sing | 1.51Å | 1.50Å | |
| C30 | C26 | doub | 1.38Å | 1.34Å | |
| C26 | C24 | sing | 1.40Å | 1.44Å | |
| C24 | C20 | doub | 1.38Å | 1.34Å | |
| C20 | C08 | sing | 1.40Å | 1.43Å | |
| C14 | C04 | sing | 1.53Å | 1.52Å | |
| C08 | C04 | sing | 1.51Å | 1.52Å | |
| C08 | C16 | doub | 1.38Å | 1.37Å | |
| C22 | C16 | sing | 1.51Å | 1.52Å | |
| C13 | C04 | sing | 1.53Å | 1.54Å | |
| C04 | C06 | sing | 1.53Å | 1.55Å | |
| C16 | C18 | sing | 1.39Å | 1.46Å | |
| C06 | C10 | sing | 1.53Å | 1.52Å | |
| C18 | C10 | sing | 1.51Å | 1.48Å | |
| C18 | O02 | doub | 1.22Å | 1.22Å | |
| C05 | H052 | sing | 1.09Å | 1.10Å | |
| C05 | H051 | sing | 1.09Å | 1.10Å | |
| C06 | H062 | sing | 1.09Å | 1.10Å | |
| C06 | H061 | sing | 1.09Å | 1.10Å | |
| C09 | H092 | sing | 1.09Å | 1.10Å | |
| C09 | H091 | sing | 1.09Å | 1.10Å | |
| C10 | H102 | sing | 1.09Å | 1.10Å | |
| C10 | H101 | sing | 1.09Å | 1.10Å | |
| C11 | H113 | sing | 1.09Å | 1.10Å | |
| C11 | H111 | sing | 1.09Å | 1.10Å | |
| C11 | H112 | sing | 1.09Å | 1.10Å | |
| C12 | H122 | sing | 1.09Å | 1.10Å | |
| C12 | H123 | sing | 1.09Å | 1.10Å | |
| C12 | H121 | sing | 1.09Å | 1.10Å | |
| C13 | H131 | sing | 1.09Å | 1.10Å | |
| C13 | H132 | sing | 1.09Å | 1.10Å | |
| C13 | H133 | sing | 1.09Å | 1.10Å | |
| C14 | H141 | sing | 1.09Å | 1.10Å | |
| C14 | H143 | sing | 1.09Å | 1.10Å | |
| C14 | H142 | sing | 1.09Å | 1.10Å | |
| C19 | H191 | sing | 1.08Å | 1.08Å | |
| C20 | H201 | sing | 1.08Å | 1.08Å | |
| C21 | H212 | sing | 1.09Å | 1.10Å | |
| C21 | H213 | sing | 1.09Å | 1.10Å | |
| C21 | H211 | 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 | H273 | sing | 1.09Å | 1.10Å | |
| C27 | H272 | sing | 1.09Å | 1.10Å | |
| C27 | H271 | sing | 1.09Å | 1.10Å | |
| C28 | H281 | sing | 1.09Å | 1.10Å | |
| C28 | H282 | sing | 1.09Å | 1.10Å | |
| C28 | H283 | 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 | H393 | sing | 1.09Å | 1.10Å | |
| C39 | H392 | sing | 1.09Å | 1.10Å | |
| C39 | H391 | 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 | |
| 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) |
| O01 | C17 | C09 | 119.2° | 119.7° |
| O01 | C17 | C15 | 121.7° | 119.7° |
| C09 | C17 | C15 | 119.1° | 120.6° |
| C17 | C09 | C05 | 107.5° | 109.3° |
| C17 | C09 | H092 | 110.0° | 109.5° |
| C17 | C09 | H091 | 109.9° | 109.6° |
| C17 | C15 | C21 | 113.9° | 119.3° |
| C17 | C15 | C07 | 121.3° | 121.4° |
| C21 | C15 | C07 | 123.9° | 119.3° |
| C15 | C21 | H212 | 109.5° | 109.5° |
| C15 | C21 | H213 | 109.5° | 109.5° |
| C15 | C21 | H211 | 109.4° | 109.5° |
| C09 | C05 | C03 | 110.2° | 108.9° |
| C09 | C05 | H052 | 109.3° | 109.5° |
| C09 | C05 | H051 | 109.3° | 109.7° |
| C05 | C09 | H092 | 110.0° | 109.5° |
| C05 | C09 | H091 | 110.0° | 109.5° |
| C15 | C07 | C03 | 119.7° | 120.8° |
| C15 | C07 | C19 | 122.4° | 119.6° |
| C05 | C03 | C07 | 107.2° | 109.4° |
| C05 | C03 | C12 | 108.6° | 109.5° |
| C05 | C03 | C11 | 111.9° | 109.5° |
| C03 | C05 | H052 | 109.3° | 109.5° |
| C03 | C05 | H051 | 109.3° | 109.6° |
| C03 | C07 | C19 | 114.9° | 119.6° |
| C07 | C03 | C12 | 113.7° | 109.5° |
| C07 | C03 | C11 | 112.4° | 109.5° |
| C07 | C19 | C23 | 126.2° | 120.0° |
| C07 | C19 | H191 | 116.9° | 120.0° |
| C12 | C03 | C11 | 103.1° | 109.5° |
| C03 | C12 | H122 | 109.5° | 109.5° |
| C03 | C12 | H123 | 109.5° | 109.5° |
| C03 | C12 | H121 | 109.5° | 109.5° |
| C03 | C11 | H113 | 109.5° | 109.5° |
| C03 | C11 | H111 | 109.5° | 109.5° |
| C03 | C11 | H112 | 109.4° | 109.5° |
| C19 | C23 | C25 | 126.9° | 120.0° |
| C23 | C19 | H191 | 116.9° | 120.0° |
| C19 | C23 | H231 | 116.6° | 120.0° |
| C23 | C25 | C27 | 115.2° | 120.0° |
| C23 | C25 | C29 | 123.6° | 120.0° |
| C25 | C23 | H231 | 116.6° | 120.0° |
| C27 | C25 | C29 | 121.2° | 120.0° |
| C25 | C27 | H273 | 109.5° | 109.5° |
| C25 | C27 | H272 | 109.5° | 109.5° |
| C25 | C27 | H271 | 109.5° | 109.5° |
| C25 | C29 | C31 | 129.5° | 120.0° |
| C25 | C29 | H291 | 115.2° | 119.9° |
| C29 | C31 | C33 | 125.8° | 120.0° |
| C31 | C29 | H291 | 115.3° | 120.0° |
| C29 | C31 | H311 | 117.1° | 120.0° |
| C31 | C33 | C35 | 131.4° | 120.0° |
| C33 | C31 | H311 | 117.1° | 120.0° |
| C31 | C33 | H331 | 114.3° | 120.0° |
| C33 | C35 | C37 | 125.7° | 120.0° |
| C33 | C35 | C39 | 115.3° | 119.9° |
| C35 | C33 | H331 | 114.3° | 120.0° |
| C37 | C35 | C39 | 118.9° | 120.1° |
| C35 | C37 | C41 | 129.3° | 120.0° |
| C35 | C37 | H371 | 115.4° | 120.0° |
| C35 | C39 | H393 | 109.5° | 109.5° |
| C35 | C39 | H392 | 109.5° | 109.4° |
| C35 | C39 | H391 | 109.4° | 109.5° |
| C37 | C41 | C42 | 128.7° | 120.0° |
| C41 | C37 | H371 | 115.3° | 120.0° |
| C37 | C41 | H411 | 115.6° | 120.1° |
| C41 | C42 | C38 | 128.7° | 120.0° |
| C42 | C41 | H411 | 115.6° | 120.0° |
| C41 | C42 | H421 | 115.7° | 120.0° |
| C42 | C38 | C36 | 131.5° | 120.0° |
| C42 | C38 | H381 | 114.3° | 120.0° |
| C38 | C42 | H421 | 115.7° | 120.0° |
| C40 | C36 | C38 | 120.5° | 120.0° |
| C40 | C36 | C34 | 116.3° | 120.0° |
| C36 | C40 | H401 | 109.5° | 109.5° |
| C36 | C40 | H402 | 109.5° | 109.5° |
| C36 | C40 | H403 | 109.5° | 109.5° |
| C38 | C36 | C34 | 123.1° | 120.0° |
| C36 | C38 | H381 | 114.3° | 120.0° |
| C36 | C34 | C32 | 130.0° | 120.0° |
| C36 | C34 | H341 | 115.0° | 120.0° |
| C34 | C32 | C30 | 125.6° | 120.0° |
| C34 | C32 | H321 | 117.2° | 120.0° |
| C32 | C34 | H341 | 115.0° | 120.0° |
| C32 | C30 | C26 | 130.2° | 120.0° |
| C32 | C30 | H301 | 114.9° | 120.0° |
| C30 | C32 | H321 | 117.2° | 120.0° |
| C28 | C26 | C30 | 120.4° | 120.1° |
| C28 | C26 | C24 | 116.0° | 119.9° |
| C26 | C28 | H281 | 109.5° | 109.5° |
| C26 | C28 | H282 | 109.5° | 109.4° |
| C26 | C28 | H283 | 109.4° | 109.5° |
| C30 | C26 | C24 | 123.6° | 120.0° |
| C26 | C30 | H301 | 114.9° | 120.0° |
| C26 | C24 | C20 | 129.0° | 120.0° |
| C26 | C24 | H241 | 115.5° | 120.0° |
| C24 | C20 | C08 | 127.7° | 120.0° |
| C24 | C20 | H201 | 116.2° | 120.0° |
| C20 | C24 | H241 | 115.5° | 120.0° |
| C20 | C08 | C04 | 119.7° | 119.5° |
| C20 | C08 | C16 | 118.2° | 119.6° |
| C08 | C20 | H201 | 116.2° | 120.0° |
| C14 | C04 | C08 | 110.7° | 109.5° |
| C14 | C04 | C13 | 103.1° | 109.5° |
| C14 | C04 | C06 | 108.2° | 109.5° |
| C04 | C14 | H141 | 109.5° | 109.5° |
| C04 | C14 | H143 | 109.5° | 109.5° |
| C04 | C14 | H142 | 109.5° | 109.5° |
| C04 | C08 | C16 | 121.9° | 120.9° |
| C08 | C04 | C13 | 114.9° | 109.5° |
| C08 | C04 | C06 | 108.2° | 109.4° |
| C08 | C16 | C22 | 125.7° | 119.3° |
| C08 | C16 | C18 | 121.9° | 121.4° |
| C22 | C16 | C18 | 111.9° | 119.3° |
| C16 | C22 | H223 | 109.5° | 109.4° |
| C16 | C22 | H222 | 109.5° | 109.5° |
| C16 | C22 | H221 | 109.5° | 109.5° |
| C13 | C04 | C06 | 111.5° | 109.5° |
| C04 | C13 | H131 | 109.5° | 109.4° |
| C04 | C13 | H132 | 109.5° | 109.5° |
| C04 | C13 | H133 | 109.5° | 109.5° |
| C04 | C06 | C10 | 110.8° | 108.9° |
| C04 | C06 | H062 | 109.1° | 109.5° |
| C04 | C06 | H061 | 109.1° | 109.6° |
| C16 | C18 | C10 | 117.6° | 120.6° |
| C16 | C18 | O02 | 121.7° | 119.7° |
| C06 | C10 | C18 | 107.8° | 109.3° |
| C10 | C06 | H062 | 109.2° | 109.6° |
| C10 | C06 | H061 | 109.2° | 109.6° |
| C06 | C10 | H102 | 109.9° | 109.5° |
| C06 | C10 | H101 | 109.9° | 109.5° |
| C10 | C18 | O02 | 120.7° | 119.7° |
| C18 | C10 | H102 | 109.9° | 109.5° |
| C18 | C10 | H101 | 109.9° | 109.6° |
| H052 | C05 | H051 | 109.5° | 109.6° |
| H062 | C06 | H061 | 109.5° | 109.7° |
| H092 | C09 | H091 | 109.5° | 109.5° |
| H102 | C10 | H101 | 109.4° | 109.5° |
| H113 | C11 | H111 | 109.5° | 109.5° |
| H113 | C11 | H112 | 109.5° | 109.5° |
| H111 | C11 | H112 | 109.5° | 109.4° |
| H122 | C12 | H123 | 109.5° | 109.5° |
| H122 | C12 | H121 | 109.4° | 109.4° |
| H123 | C12 | H121 | 109.5° | 109.4° |
| H131 | C13 | H132 | 109.4° | 109.5° |
| H131 | C13 | H133 | 109.5° | 109.4° |
| H132 | C13 | H133 | 109.5° | 109.5° |
| H141 | C14 | H143 | 109.4° | 109.4° |
| H141 | C14 | H142 | 109.5° | 109.5° |
| H143 | C14 | H142 | 109.5° | 109.5° |
| H212 | C21 | H213 | 109.4° | 109.5° |
| H212 | C21 | H211 | 109.5° | 109.5° |
| H213 | C21 | H211 | 109.5° | 109.4° |
| H223 | C22 | H222 | 109.4° | 109.5° |
| H223 | C22 | H221 | 109.5° | 109.5° |
| H222 | C22 | H221 | 109.5° | 109.5° |
| H273 | C27 | H272 | 109.5° | 109.5° |
| H273 | C27 | H271 | 109.5° | 109.4° |
| H272 | C27 | H271 | 109.4° | 109.5° |
| H281 | C28 | H282 | 109.5° | 109.5° |
| H281 | C28 | H283 | 109.5° | 109.5° |
| H282 | C28 | H283 | 109.5° | 109.5° |
| H393 | C39 | H392 | 109.5° | 109.4° |
| H393 | C39 | H391 | 109.5° | 109.5° |
| H392 | C39 | H391 | 109.5° | 109.5° |
| H401 | C40 | H402 | 109.5° | 109.4° |
| H401 | C40 | H403 | 109.5° | 109.5° |
| H402 | C40 | H403 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O01 | C17 | C09 | C15 | 179.8° | 180.0° |
| O01 | C17 | C15 | C21 | 1.5° | 0.0° |
| O01 | C17 | C09 | C05 | 156.4° | 150.7° |
| O01 | C17 | C15 | C07 | 171.5° | 180.0° |
| O01 | C17 | C09 | H092 | 36.7° | 30.8° |
| O01 | C17 | C09 | H091 | 83.9° | 89.3° |
| C09 | C17 | C15 | C21 | 178.3° | 180.0° |
| C17 | C09 | C05 | H092 | 119.7° | 119.9° |
| C17 | C09 | C05 | H091 | 119.7° | 120.1° |
| C09 | C17 | C15 | C07 | 8.3° | 0.1° |
| C17 | C09 | C05 | C03 | 60.3° | 57.4° |
| C17 | C09 | C05 | H052 | 59.7° | 62.3° |
| C17 | C09 | C05 | H051 | 179.6° | 177.3° |
| C17 | C09 | H092 | H091 | 120.9° | 120.2° |
| C17 | C15 | C21 | C07 | 169.8° | 179.9° |
| C15 | C17 | C09 | C05 | 23.8° | 29.3° |
| C17 | C15 | C07 | C03 | 3.6° | 0.2° |
| C17 | C15 | C07 | C19 | 156.0° | 179.8° |
| C15 | C17 | C09 | H092 | 143.5° | 149.2° |
| C15 | C17 | C09 | H091 | 95.9° | 90.7° |
| C17 | C15 | C21 | H212 | 180.0° | 90.0° |
| C17 | C15 | C21 | H213 | 60.0° | 30.1° |
| C17 | C15 | C21 | H211 | 60.0° | 150.0° |
| C21 | C15 | C07 | C03 | 172.7° | 179.9° |
| C21 | C15 | C07 | C19 | 13.1° | 0.1° |
| C15 | C21 | H212 | H213 | 120.0° | 120.0° |
| C15 | C21 | H212 | H211 | 120.0° | 120.0° |
| C15 | C21 | H213 | H211 | 120.0° | 120.0° |
| C09 | C05 | C03 | H052 | 120.1° | 119.8° |
| C09 | C05 | C03 | H051 | 120.1° | 120.0° |
| C09 | C05 | C03 | C07 | 65.1° | 57.6° |
| C09 | C05 | C03 | C12 | 171.6° | 62.4° |
| C09 | C05 | C03 | C11 | 58.5° | 177.6° |
| C09 | C05 | H052 | H051 | 119.7° | 120.4° |
| C05 | C09 | H092 | H091 | 120.9° | 120.1° |
| C15 | C07 | C03 | C05 | 31.6° | 29.6° |
| C15 | C07 | C03 | C19 | 161.0° | 180.0° |
| C15 | C07 | C03 | C12 | 151.6° | 90.4° |
| C15 | C07 | C03 | C11 | 91.7° | 149.6° |
| C15 | C07 | C19 | C23 | 116.3° | 57.0° |
| C15 | C07 | C19 | H191 | 63.7° | 122.9° |
| C07 | C15 | C21 | H212 | 10.2° | 90.0° |
| C07 | C15 | C21 | H213 | 109.8° | 150.0° |
| C07 | C15 | C21 | H211 | 130.2° | 30.0° |
| C05 | C03 | C07 | C12 | 120.1° | 120.0° |
| C05 | C03 | C07 | C11 | 123.3° | 120.0° |
| C05 | C03 | C07 | C19 | 167.4° | 150.5° |
| C05 | C03 | C12 | C11 | 118.8° | 120.1° |
| C03 | C05 | H052 | H051 | 119.7° | 120.2° |
| C03 | C05 | C09 | H092 | 179.9° | 177.4° |
| C03 | C05 | C09 | H091 | 59.3° | 62.6° |
| C05 | C03 | C11 | H113 | 180.0° | 64.4° |
| C05 | C03 | C11 | H111 | 60.0° | 55.6° |
| C05 | C03 | C11 | H112 | 60.0° | 175.6° |
| C05 | C03 | C12 | H122 | 180.0° | 180.0° |
| C05 | C03 | C12 | H123 | 60.0° | 59.9° |
| C05 | C03 | C12 | H121 | 60.0° | 60.0° |
| C07 | C03 | C12 | C11 | 121.9° | 120.0° |
| C03 | C07 | C19 | C23 | 83.2° | 123.0° |
| C07 | C03 | C05 | H052 | 55.0° | 62.2° |
| C07 | C03 | C05 | H051 | 174.8° | 177.6° |
| C07 | C03 | C11 | H113 | 59.3° | 175.6° |
| C07 | C03 | C11 | H111 | 179.3° | 64.4° |
| C07 | C03 | C11 | H112 | 60.7° | 55.6° |
| C07 | C03 | C12 | H122 | 60.7° | 60.0° |
| C07 | C03 | C12 | H123 | 59.3° | 60.0° |
| C07 | C03 | C12 | H121 | 179.3° | 180.0° |
| C03 | C07 | C19 | H191 | 96.8° | 57.0° |
| C19 | C07 | C03 | C12 | 47.3° | 89.5° |
| C19 | C07 | C03 | C11 | 69.3° | 30.5° |
| C07 | C19 | C23 | H191 | 180.0° | 180.0° |
| C07 | C19 | C23 | C25 | 175.4° | 177.4° |
| C07 | C19 | C23 | H231 | 4.6° | 2.6° |
| C12 | C03 | C05 | H052 | 68.3° | 177.9° |
| C12 | C03 | C05 | H051 | 51.5° | 57.6° |
| C12 | C03 | C11 | H113 | 63.5° | 55.6° |
| C12 | C03 | C11 | H111 | 56.5° | 175.6° |
| C12 | C03 | C11 | H112 | 176.5° | 64.4° |
| C03 | C12 | H122 | H123 | 120.0° | 120.1° |
| C03 | C12 | H122 | H121 | 120.0° | 120.0° |
| C03 | C12 | H123 | H121 | 120.0° | 120.0° |
| C11 | C03 | C05 | H052 | 178.6° | 57.8° |
| C11 | C03 | C05 | H051 | 61.6° | 62.4° |
| C03 | C11 | H113 | H111 | 120.0° | 120.0° |
| C03 | C11 | H113 | H112 | 120.0° | 120.0° |
| C03 | C11 | H111 | H112 | 120.0° | 120.0° |
| C11 | C03 | C12 | H122 | 61.2° | 60.0° |
| C11 | C03 | C12 | H123 | 178.8° | 180.0° |
| C11 | C03 | C12 | H121 | 58.8° | 60.0° |
| C19 | C23 | C25 | H231 | 180.0° | 180.0° |
| C19 | C23 | C25 | C27 | 23.2° | 0.0° |
| C19 | C23 | C25 | C29 | 155.3° | 180.0° |
| C23 | C25 | C27 | C29 | 178.5° | 179.9° |
| C23 | C25 | C29 | C31 | 175.8° | 180.0° |
| C25 | C23 | C19 | H191 | 4.6° | 2.6° |
| C23 | C25 | C27 | H273 | 180.0° | 89.9° |
| C23 | C25 | C27 | H272 | 60.0° | 150.0° |
| C23 | C25 | C27 | H271 | 60.0° | 30.0° |
| C23 | C25 | C29 | H291 | 4.2° | 0.1° |
| C27 | C25 | C29 | C31 | 2.6° | 0.1° |
| C27 | C25 | C23 | H231 | 156.8° | 180.0° |
| C25 | C27 | H273 | H272 | 120.0° | 120.0° |
| C25 | C27 | H273 | H271 | 120.0° | 120.0° |
| C25 | C27 | H272 | H271 | 120.0° | 120.0° |
| C27 | C25 | C29 | H291 | 177.4° | 180.0° |
| C25 | C29 | C31 | H291 | 180.0° | 179.9° |
| C25 | C29 | C31 | C33 | 178.8° | 180.0° |
| C29 | C25 | C23 | H231 | 24.7° | 0.1° |
| C29 | C25 | C27 | H273 | 1.5° | 90.0° |
| C29 | C25 | C27 | H272 | 118.5° | 30.1° |
| C29 | C25 | C27 | H271 | 121.5° | 150.1° |
| C25 | C29 | C31 | H311 | 1.1° | 0.1° |
| C29 | C31 | C33 | H311 | 180.0° | 179.9° |
| C29 | C31 | C33 | C35 | 174.4° | 180.0° |
| C29 | C31 | C33 | H331 | 5.6° | 0.1° |
| C31 | C33 | C35 | H331 | 180.0° | 179.9° |
| C31 | C33 | C35 | C37 | 167.8° | 180.0° |
| C31 | C33 | C35 | C39 | 15.9° | 0.1° |
| C33 | C31 | C29 | H291 | 1.2° | 0.1° |
| C33 | C35 | C37 | C39 | 176.2° | 180.0° |
| C33 | C35 | C37 | C41 | 173.0° | 180.0° |
| C35 | C33 | C31 | H311 | 5.7° | 0.1° |
| C33 | C35 | C37 | H371 | 7.0° | 0.0° |
| C33 | C35 | C39 | H393 | 180.0° | 90.0° |
| C33 | C35 | C39 | H392 | 60.0° | 150.1° |
| C33 | C35 | C39 | H391 | 60.0° | 30.1° |
| C35 | C37 | C41 | H371 | 180.0° | 179.9° |
| C35 | C37 | C41 | C42 | 171.4° | 180.0° |
| C37 | C35 | C33 | H331 | 12.3° | 0.0° |
| C37 | C35 | C39 | H393 | 3.4° | 89.9° |
| C37 | C35 | C39 | H392 | 116.6° | 30.0° |
| C37 | C35 | C39 | H391 | 123.4° | 150.0° |
| C35 | C37 | C41 | H411 | 8.6° | 0.0° |
| C39 | C35 | C37 | C41 | 3.2° | 0.0° |
| C39 | C35 | C33 | H331 | 164.0° | 180.0° |
| C39 | C35 | C37 | H371 | 176.8° | 179.9° |
| C35 | C39 | H393 | H392 | 120.0° | 119.9° |
| C35 | C39 | H393 | H391 | 120.0° | 120.1° |
| C35 | C39 | H392 | H391 | 120.0° | 120.0° |
| C37 | C41 | C42 | H411 | 180.0° | 180.0° |
| C37 | C41 | C42 | C38 | 172.7° | 180.0° |
| C37 | C41 | C42 | H421 | 7.3° | 0.0° |
| C41 | C42 | C38 | H421 | 180.0° | 180.0° |
| C41 | C42 | C38 | C36 | 169.8° | 180.0° |
| C42 | C41 | C37 | H371 | 8.6° | 0.1° |
| C41 | C42 | C38 | H381 | 10.2° | 0.0° |
| C42 | C38 | C36 | C40 | 3.4° | 0.1° |
| C42 | C38 | C36 | H381 | 180.0° | 180.0° |
| C42 | C38 | C36 | C34 | 173.0° | 180.0° |
| C38 | C42 | C41 | H411 | 7.3° | 0.0° |
| C40 | C36 | C38 | C34 | 176.4° | 179.9° |
| C40 | C36 | C34 | C32 | 23.3° | 0.1° |
| C40 | C36 | C34 | H341 | 156.8° | 180.0° |
| C40 | C36 | C38 | H381 | 176.6° | 180.0° |
| C36 | C40 | H401 | H402 | 120.0° | 120.0° |
| C36 | C40 | H401 | H403 | 120.0° | 120.0° |
| C36 | C40 | H402 | H403 | 120.0° | 120.0° |
| C38 | C36 | C34 | C32 | 153.3° | 180.0° |
| C38 | C36 | C34 | H341 | 26.7° | 0.0° |
| C38 | C36 | C40 | H401 | 180.0° | 90.0° |
| C38 | C36 | C40 | H402 | 60.0° | 30.0° |
| C38 | C36 | C40 | H403 | 60.0° | 150.0° |
| C36 | C38 | C42 | H421 | 10.2° | 0.0° |
| C36 | C34 | C32 | H341 | 180.0° | 180.0° |
| C36 | C34 | C32 | C30 | 173.1° | 180.0° |
| C36 | C34 | C32 | H321 | 6.9° | 0.0° |
| C34 | C36 | C38 | H381 | 7.0° | 0.0° |
| C34 | C36 | C40 | H401 | 3.4° | 90.0° |
| C34 | C36 | C40 | H402 | 123.4° | 150.0° |
| C34 | C36 | C40 | H403 | 116.7° | 30.0° |
| C34 | C32 | C30 | H321 | 180.0° | 180.0° |
| C34 | C32 | C30 | C26 | 171.8° | 180.0° |
| C34 | C32 | C30 | H301 | 8.1° | 0.0° |
| C32 | C30 | C26 | C28 | 4.9° | 0.1° |
| C32 | C30 | C26 | H301 | 180.0° | 180.0° |
| C32 | C30 | C26 | C24 | 175.2° | 180.0° |
| C30 | C32 | C34 | H341 | 6.9° | 0.0° |
| C28 | C26 | C30 | C24 | 179.9° | 179.9° |
| C28 | C26 | C24 | C20 | 19.8° | 0.1° |
| C28 | C26 | C24 | H241 | 160.2° | 180.0° |
| C26 | C28 | H281 | H282 | 120.0° | 119.9° |
| C26 | C28 | H281 | H283 | 120.0° | 120.0° |
| C26 | C28 | H282 | H283 | 120.0° | 119.9° |
| C28 | C26 | C30 | H301 | 175.1° | 180.0° |
| C30 | C26 | C24 | C20 | 160.3° | 180.0° |
| C30 | C26 | C24 | H241 | 19.7° | 0.0° |
| C30 | C26 | C28 | H281 | 180.0° | 90.0° |
| C30 | C26 | C28 | H282 | 60.0° | 30.0° |
| C30 | C26 | C28 | H283 | 60.0° | 150.0° |
| C26 | C30 | C32 | H321 | 8.2° | 0.0° |
| C26 | C24 | C20 | H241 | 180.0° | 180.0° |
| C26 | C24 | C20 | C08 | 177.6° | 175.7° |
| C26 | C24 | C20 | H201 | 2.4° | 4.3° |
| C24 | C26 | C28 | H281 | 0.1° | 90.0° |
| C24 | C26 | C28 | H282 | 119.9° | 150.0° |
| C24 | C26 | C28 | H283 | 120.1° | 30.1° |
| C24 | C26 | C30 | H301 | 4.8° | 0.0° |
| C24 | C20 | C08 | H201 | 180.0° | 180.0° |
| C24 | C20 | C08 | C04 | 113.2° | 122.7° |
| C24 | C20 | C08 | C16 | 72.1° | 57.3° |
| C20 | C08 | C04 | C14 | 47.0° | 30.5° |
| C20 | C08 | C04 | C16 | 174.5° | 180.0° |
| C20 | C08 | C16 | C22 | 0.7° | 0.2° |
| C20 | C08 | C04 | C13 | 69.4° | 89.5° |
| C20 | C08 | C04 | C06 | 165.3° | 150.5° |
| C20 | C08 | C16 | C18 | 171.4° | 179.9° |
| C08 | C20 | C24 | H241 | 2.3° | 4.3° |
| C14 | C04 | C08 | C13 | 116.3° | 120.1° |
| C14 | C04 | C08 | C06 | 118.4° | 119.9° |
| C14 | C04 | C08 | C16 | 138.5° | 149.5° |
| C14 | C04 | C13 | C06 | 115.9° | 120.0° |
| C14 | C04 | C06 | C10 | 173.8° | 177.6° |
| C14 | C04 | C06 | H062 | 53.6° | 57.8° |
| C14 | C04 | C06 | H061 | 66.0° | 62.5° |
| C14 | C04 | C13 | H131 | 180.0° | 60.0° |
| C14 | C04 | C13 | H132 | 60.0° | 60.0° |
| C14 | C04 | C13 | H133 | 60.0° | 180.0° |
| C04 | C14 | H141 | H143 | 120.0° | 120.0° |
| C04 | C14 | H141 | H142 | 120.0° | 120.1° |
| C04 | C14 | H143 | H142 | 120.0° | 120.0° |
| C04 | C08 | C16 | C22 | 175.3° | 179.8° |
| C08 | C04 | C13 | C06 | 123.6° | 119.9° |
| C04 | C08 | C16 | C18 | 3.2° | 0.1° |
| C08 | C04 | C06 | C10 | 53.9° | 57.6° |
| C08 | C04 | C06 | H062 | 66.3° | 62.2° |
| C08 | C04 | C06 | H061 | 174.1° | 177.5° |
| C08 | C04 | C13 | H131 | 59.5° | 179.9° |
| C08 | C04 | C13 | H132 | 179.4° | 60.1° |
| C08 | C04 | C13 | H133 | 60.6° | 59.9° |
| C08 | C04 | C14 | H141 | 180.0° | 54.7° |
| C08 | C04 | C14 | H143 | 60.0° | 65.2° |
| C08 | C04 | C14 | H142 | 60.0° | 174.8° |
| C04 | C08 | C20 | H201 | 66.8° | 57.3° |
| C08 | C16 | C22 | C18 | 172.8° | 179.8° |
| C16 | C08 | C04 | C13 | 105.1° | 90.4° |
| C16 | C08 | C04 | C06 | 20.2° | 29.5° |
| C08 | C16 | C18 | C10 | 7.0° | 0.1° |
| C08 | C16 | C18 | O02 | 172.6° | 180.0° |
| C16 | C08 | C20 | H201 | 107.9° | 122.6° |
| C08 | C16 | C22 | H223 | 180.0° | 90.1° |
| C08 | C16 | C22 | H222 | 60.0° | 150.0° |
| C08 | C16 | C22 | H221 | 60.0° | 29.9° |
| C22 | C16 | C18 | C10 | 166.1° | 179.9° |
| C22 | C16 | C18 | O02 | 14.3° | 0.2° |
| C16 | C22 | H223 | H222 | 120.0° | 119.9° |
| C16 | C22 | H223 | H221 | 120.0° | 120.0° |
| C16 | C22 | H222 | H221 | 120.0° | 120.1° |
| C13 | C04 | C06 | C10 | 73.4° | 62.4° |
| C13 | C04 | C06 | H062 | 166.4° | 177.8° |
| C13 | C04 | C06 | H061 | 46.8° | 57.5° |
| C04 | C13 | H131 | H132 | 120.0° | 120.0° |
| C04 | C13 | H131 | H133 | 120.0° | 119.9° |
| C04 | C13 | H132 | H133 | 120.0° | 120.0° |
| C13 | C04 | C14 | H141 | 56.6° | 174.8° |
| C13 | C04 | C14 | H143 | 176.5° | 54.9° |
| C13 | C04 | C14 | H142 | 63.4° | 65.1° |
| C04 | C06 | C10 | H062 | 120.2° | 119.8° |
| C04 | C06 | C10 | H061 | 120.2° | 119.9° |
| C04 | C06 | C10 | C18 | 64.2° | 57.4° |
| C04 | C06 | H062 | H061 | 119.4° | 120.3° |
| C04 | C06 | C10 | H102 | 176.0° | 177.3° |
| C04 | C06 | C10 | H101 | 55.5° | 62.6° |
| C06 | C04 | C13 | H131 | 64.1° | 60.0° |
| C06 | C04 | C13 | H132 | 55.9° | 180.0° |
| C06 | C04 | C13 | H133 | 175.9° | 60.0° |
| C06 | C04 | C14 | H141 | 61.6° | 65.2° |
| C06 | C04 | C14 | H143 | 58.3° | 174.9° |
| C06 | C04 | C14 | H142 | 178.3° | 54.9° |
| C16 | C18 | C10 | C06 | 39.8° | 29.2° |
| C16 | C18 | C10 | O02 | 179.6° | 179.9° |
| C16 | C18 | C10 | H102 | 159.6° | 149.1° |
| C16 | C18 | C10 | H101 | 80.0° | 90.8° |
| C18 | C16 | C22 | H223 | 7.2° | 90.1° |
| C18 | C16 | C22 | H222 | 112.8° | 29.9° |
| C18 | C16 | C22 | H221 | 127.2° | 149.9° |
| C06 | C10 | C18 | H102 | 119.8° | 119.9° |
| C06 | C10 | C18 | H101 | 119.8° | 120.0° |
| C06 | C10 | C18 | O02 | 139.8° | 150.7° |
| C10 | C06 | H062 | H061 | 119.4° | 120.3° |
| C06 | C10 | H102 | H101 | 120.8° | 120.0° |
| C18 | C10 | C06 | H062 | 56.0° | 62.4° |
| C18 | C10 | C06 | H061 | 175.6° | 177.2° |
| C18 | C10 | H102 | H101 | 120.7° | 120.2° |
| O02 | C18 | C10 | H102 | 20.1° | 30.8° |
| O02 | C18 | C10 | H101 | 100.4° | 89.3° |
| H052 | C05 | C09 | H092 | 60.0° | 57.6° |
| H052 | C05 | C09 | H091 | 179.4° | 177.6° |
| H051 | C05 | C09 | H092 | 59.9° | 62.7° |
| H051 | C05 | C09 | H091 | 60.8° | 57.3° |
| H062 | C06 | C10 | H102 | 63.8° | 57.6° |
| H062 | C06 | C10 | H101 | 175.7° | 177.6° |
| H061 | C06 | C10 | H102 | 55.9° | 62.8° |
| H061 | C06 | C10 | H101 | 64.6° | 57.2° |
| H113 | C11 | H111 | H112 | 120.0° | 120.0° |
| H122 | C12 | H123 | H121 | 120.0° | 119.9° |
| H131 | C13 | H132 | H133 | 120.0° | 120.0° |
| H141 | C14 | H143 | H142 | 120.0° | 120.0° |
| H191 | C19 | C23 | H231 | 175.4° | 177.4° |
| H201 | C20 | C24 | H241 | 177.7° | 175.7° |
| H212 | C21 | H213 | H211 | 120.0° | 120.0° |
| H223 | C22 | H222 | H221 | 120.0° | 120.0° |
| H273 | C27 | H272 | H271 | 120.0° | 120.0° |
| H281 | C28 | H282 | H283 | 120.0° | 120.1° |
| H291 | C29 | C31 | H311 | 178.9° | 180.0° |
| H301 | C30 | C32 | H321 | 171.8° | 180.0° |
| H311 | C31 | C33 | H331 | 174.4° | 180.0° |
| H321 | C32 | C34 | H341 | 173.1° | 180.0° |
| H371 | C37 | C41 | H411 | 171.4° | 179.9° |
| H381 | C38 | C42 | H421 | 169.8° | 180.0° |
| H393 | C39 | H392 | H391 | 120.0° | 120.0° |
| H401 | C40 | H402 | H403 | 120.0° | 119.9° |
| H411 | C41 | C42 | H421 | 172.7° | 180.0° |
