A1JR2
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C15 | C09 | sing | 1.53Å | 1.53Å | |
| C33 | C31 | sing | 1.51Å | 1.50Å | |
| C16 | C09 | sing | 1.53Å | 1.53Å | |
| C09 | C10 | sing | 1.53Å | 1.54Å | |
| C09 | C12 | sing | 1.53Å | 1.53Å | |
| C43 | C41 | sing | 1.51Å | 1.50Å | |
| C21 | C12 | sing | 1.51Å | 1.46Å | |
| C21 | C27 | doub | 1.34Å | 1.33Å | |
| C31 | C27 | sing | 1.42Å | 1.46Å | |
| C31 | C34 | doub | 1.36Å | 1.36Å | |
| C10 | C11 | sing | 1.53Å | 1.52Å | |
| C12 | C14 | sing | 1.53Å | 1.34Å | |
| C36 | C34 | sing | 1.41Å | 1.43Å | |
| C36 | C39 | doub | 1.36Å | 1.34Å | |
| C41 | C39 | sing | 1.40Å | 1.46Å | |
| C41 | C44 | doub | 1.38Å | 1.35Å | |
| C14 | C23 | sing | 1.53Å | 1.50Å | |
| C14 | C13 | sing | 1.53Å | 1.51Å | |
| C11 | O01 | sing | 1.43Å | 1.43Å | |
| C11 | C13 | sing | 1.53Å | 1.52Å | |
| C44 | C46 | sing | 1.40Å | 1.44Å | |
| C46 | C49 | doub | 1.38Å | 1.35Å | |
| O05 | C18 | sing | 1.43Å | 1.42Å | |
| O04 | C17 | sing | 1.43Å | 1.42Å | |
| C49 | C51 | sing | 1.40Å | 1.44Å | |
| C51 | C53 | doub | 1.38Å | 1.36Å | |
| C17 | C18 | sing | 1.53Å | 1.52Å | |
| C17 | C19 | sing | 1.53Å | 1.52Å | |
| C18 | C20 | sing | 1.53Å | 1.53Å | |
| C53 | C52 | sing | 1.40Å | 1.45Å | |
| C53 | C54 | sing | 1.51Å | 1.50Å | |
| C52 | C50 | doub | 1.38Å | 1.34Å | |
| C20 | O02 | sing | 1.43Å | 1.44Å | |
| C20 | C24 | sing | 1.53Å | 1.51Å | |
| C19 | O06 | sing | 1.43Å | 1.42Å | |
| C19 | C22 | sing | 1.53Å | 1.52Å | |
| O02 | C22 | sing | 1.43Å | 1.41Å | |
| C50 | C48 | sing | 1.40Å | 1.42Å | |
| C48 | C45 | doub | 1.38Å | 1.35Å | |
| C22 | O03 | sing | 1.43Å | 1.41Å | |
| O03 | C25 | sing | 1.43Å | 1.44Å | |
| C45 | C42 | sing | 1.40Å | 1.46Å | |
| C45 | C47 | sing | 1.51Å | 1.50Å | |
| C42 | C40 | doub | 1.37Å | 1.34Å | |
| C25 | C28 | sing | 1.51Å | 1.50Å | |
| C25 | C26 | sing | 1.53Å | 1.55Å | |
| C28 | C32 | doub | 1.34Å | 1.32Å | |
| C40 | C38 | sing | 1.41Å | 1.42Å | |
| C38 | C35 | doub | 1.36Å | 1.36Å | |
| C30 | C26 | sing | 1.53Å | 1.52Å | |
| C32 | C35 | sing | 1.42Å | 1.46Å | |
| C26 | C29 | sing | 1.53Å | 1.52Å | |
| C26 | O08 | sing | 1.43Å | 1.44Å | |
| C35 | C37 | sing | 1.51Å | 1.50Å | |
| C16 | H161 | sing | 1.09Å | 1.10Å | |
| C16 | H162 | sing | 1.09Å | 1.10Å | |
| C16 | H163 | sing | 1.09Å | 1.10Å | |
| C13 | H132 | sing | 1.09Å | 1.10Å | |
| C13 | H131 | sing | 1.09Å | 1.10Å | |
| C14 | H1 | sing | 1.09Å | 1.10Å | |
| C15 | H153 | sing | 1.09Å | 1.10Å | |
| C15 | H151 | sing | 1.09Å | 1.10Å | |
| C15 | H152 | sing | 1.09Å | 1.10Å | |
| O01 | H011 | sing | 0.97Å | 0.95Å | |
| O04 | H041 | sing | 0.97Å | 0.95Å | |
| O05 | H051 | sing | 0.97Å | 0.95Å | |
| O06 | H061 | sing | 0.97Å | 0.95Å | |
| O08 | H081 | sing | 0.97Å | 0.95Å | |
| C10 | H101 | sing | 1.09Å | 1.10Å | |
| C10 | H102 | sing | 1.09Å | 1.10Å | |
| C11 | H111 | sing | 1.09Å | 1.10Å | |
| C12 | H2 | sing | 1.09Å | 1.10Å | |
| C17 | H171 | sing | 1.09Å | 1.10Å | |
| C18 | H181 | sing | 1.09Å | 1.10Å | |
| C19 | H191 | sing | 1.09Å | 1.10Å | |
| C20 | H201 | sing | 1.09Å | 1.10Å | |
| C21 | H211 | sing | 1.08Å | 1.08Å | |
| C22 | H221 | sing | 1.09Å | 1.10Å | |
| C23 | H231 | sing | 1.09Å | 1.10Å | |
| C23 | H232 | sing | 1.09Å | 1.10Å | |
| C23 | H233 | sing | 1.09Å | 1.10Å | |
| C24 | H242 | sing | 1.09Å | 1.10Å | |
| C24 | H1C | sing | 1.09Å | 1.10Å | |
| C24 | H241 | sing | 1.09Å | 1.10Å | |
| C25 | H251 | sing | 1.09Å | 1.10Å | |
| C27 | H271 | sing | 1.08Å | 1.08Å | |
| C28 | H281 | sing | 1.08Å | 1.08Å | |
| C29 | H293 | sing | 1.09Å | 1.10Å | |
| C29 | H291 | sing | 1.09Å | 1.10Å | |
| C29 | H292 | sing | 1.09Å | 1.10Å | |
| C30 | H302 | sing | 1.09Å | 1.10Å | |
| C30 | H303 | sing | 1.09Å | 1.10Å | |
| C30 | H301 | sing | 1.09Å | 1.10Å | |
| C32 | H321 | sing | 1.08Å | 1.08Å | |
| C33 | H333 | sing | 1.09Å | 1.10Å | |
| C33 | H331 | sing | 1.09Å | 1.10Å | |
| C33 | H332 | sing | 1.09Å | 1.10Å | |
| C34 | H341 | sing | 1.08Å | 1.08Å | |
| C36 | H361 | sing | 1.08Å | 1.08Å | |
| C37 | H372 | sing | 1.09Å | 1.10Å | |
| C37 | H371 | sing | 1.09Å | 1.10Å | |
| C37 | H373 | sing | 1.09Å | 1.10Å | |
| C38 | H381 | sing | 1.08Å | 1.08Å | |
| C39 | H391 | sing | 1.08Å | 1.08Å | |
| C40 | H401 | sing | 1.08Å | 1.08Å | |
| C42 | H421 | sing | 1.08Å | 1.08Å | |
| C43 | H432 | sing | 1.09Å | 1.10Å | |
| C43 | H433 | sing | 1.09Å | 1.10Å | |
| C43 | H431 | sing | 1.09Å | 1.10Å | |
| C44 | H441 | sing | 1.08Å | 1.08Å | |
| C46 | H461 | sing | 1.08Å | 1.08Å | |
| C47 | H471 | sing | 1.09Å | 1.10Å | |
| C47 | H473 | sing | 1.09Å | 1.10Å | |
| C47 | H472 | sing | 1.09Å | 1.10Å | |
| C48 | H481 | sing | 1.08Å | 1.08Å | |
| C49 | H491 | sing | 1.08Å | 1.08Å | |
| C50 | H501 | sing | 1.08Å | 1.08Å | |
| C51 | H511 | sing | 1.08Å | 1.08Å | |
| C52 | H521 | sing | 1.08Å | 1.08Å | |
| C54 | H542 | sing | 1.09Å | 1.10Å | |
| C54 | H541 | sing | 1.09Å | 1.10Å | |
| C54 | H543 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C15 | C09 | C16 | 108.9° | 109.5° |
| C15 | C09 | C10 | 108.0° | 109.5° |
| C15 | C09 | C12 | 110.6° | 109.5° |
| C09 | C15 | H153 | 109.5° | 109.5° |
| C09 | C15 | H151 | 109.5° | 109.5° |
| C09 | C15 | H152 | 109.5° | 109.5° |
| C33 | C31 | C27 | 117.9° | 120.0° |
| C33 | C31 | C34 | 122.9° | 120.0° |
| C31 | C33 | H333 | 109.5° | 109.5° |
| C31 | C33 | H331 | 109.4° | 109.4° |
| C31 | C33 | H332 | 109.4° | 109.5° |
| C16 | C09 | C10 | 110.2° | 109.4° |
| C16 | C09 | C12 | 110.4° | 109.5° |
| C09 | C16 | H161 | 109.5° | 109.5° |
| C09 | C16 | H162 | 109.5° | 109.4° |
| C09 | C16 | H163 | 109.5° | 109.4° |
| C10 | C09 | C12 | 108.7° | 109.5° |
| C09 | C10 | C11 | 112.2° | 109.5° |
| C09 | C10 | H101 | 108.8° | 109.5° |
| C09 | C10 | H102 | 108.7° | 109.5° |
| C09 | C12 | C21 | 115.7° | 109.5° |
| C09 | C12 | C14 | 122.8° | 109.5° |
| C09 | C12 | H2 | 90.2° | 109.5° |
| C43 | C41 | C39 | 118.1° | 120.0° |
| C43 | C41 | C44 | 123.2° | 120.0° |
| C41 | C43 | H432 | 109.5° | 109.4° |
| C41 | C43 | H433 | 109.5° | 109.5° |
| C41 | C43 | H431 | 109.5° | 109.5° |
| C12 | C21 | C27 | 127.0° | 120.0° |
| C21 | C12 | C14 | 121.5° | 109.4° |
| C21 | C12 | H2 | 90.2° | 109.5° |
| C12 | C21 | H211 | 116.5° | 120.0° |
| C21 | C27 | C31 | 126.6° | 120.0° |
| C27 | C21 | H211 | 116.5° | 120.0° |
| C21 | C27 | H271 | 116.7° | 120.0° |
| C27 | C31 | C34 | 119.2° | 120.0° |
| C31 | C27 | H271 | 116.7° | 120.0° |
| C31 | C34 | C36 | 127.8° | 120.0° |
| C31 | C34 | H341 | 116.1° | 120.0° |
| C10 | C11 | O01 | 109.1° | 109.5° |
| C10 | C11 | C13 | 112.0° | 109.5° |
| C11 | C10 | H101 | 108.8° | 109.5° |
| C11 | C10 | H102 | 108.8° | 109.5° |
| C10 | C11 | H111 | 108.3° | 109.5° |
| C12 | C14 | C23 | 124.5° | 109.5° |
| C12 | C14 | C13 | 120.6° | 109.4° |
| C12 | C14 | H1 | 90.1° | 109.5° |
| C14 | C12 | H2 | 90.2° | 109.4° |
| C34 | C36 | C39 | 122.7° | 120.0° |
| C36 | C34 | H341 | 116.1° | 120.0° |
| C34 | C36 | H361 | 118.6° | 120.0° |
| C36 | C39 | C41 | 127.4° | 120.0° |
| C39 | C36 | H361 | 118.6° | 120.0° |
| C36 | C39 | H391 | 116.3° | 120.0° |
| C39 | C41 | C44 | 118.8° | 120.0° |
| C41 | C39 | H391 | 116.3° | 120.0° |
| C41 | C44 | C46 | 128.3° | 120.0° |
| C41 | C44 | H441 | 115.8° | 120.0° |
| C23 | C14 | C13 | 114.9° | 109.5° |
| C23 | C14 | H1 | 90.1° | 109.5° |
| C14 | C23 | H231 | 109.5° | 109.5° |
| C14 | C23 | H232 | 109.5° | 109.4° |
| C14 | C23 | H233 | 109.4° | 109.5° |
| C14 | C13 | C11 | 113.6° | 109.5° |
| C14 | C13 | H132 | 108.4° | 109.5° |
| C14 | C13 | H131 | 108.4° | 109.5° |
| C13 | C14 | H1 | 90.1° | 109.4° |
| O01 | C11 | C13 | 109.5° | 109.5° |
| C11 | O01 | H011 | 109.5° | 114.0° |
| O01 | C11 | H111 | 109.5° | 109.5° |
| C11 | C13 | H132 | 108.4° | 109.5° |
| C11 | C13 | H131 | 108.4° | 109.5° |
| C13 | C11 | H111 | 108.3° | 109.5° |
| C44 | C46 | C49 | 120.3° | 120.0° |
| C46 | C44 | H441 | 115.8° | 120.0° |
| C44 | C46 | H461 | 119.8° | 120.0° |
| C46 | C49 | C51 | 126.6° | 120.0° |
| C49 | C46 | H461 | 119.9° | 120.0° |
| C46 | C49 | H491 | 116.7° | 120.0° |
| O05 | C18 | C17 | 110.0° | 109.5° |
| O05 | C18 | C20 | 110.0° | 109.6° |
| C18 | O05 | H051 | 109.5° | 113.9° |
| O05 | C18 | H181 | 110.0° | 109.5° |
| O04 | C17 | C18 | 110.0° | 109.5° |
| O04 | C17 | C19 | 110.0° | 109.6° |
| C17 | O04 | H041 | 109.5° | 114.0° |
| O04 | C17 | H171 | 109.7° | 109.6° |
| C49 | C51 | C53 | 126.6° | 120.0° |
| C51 | C49 | H491 | 116.7° | 120.0° |
| C49 | C51 | H511 | 116.7° | 120.0° |
| C51 | C53 | C52 | 120.7° | 120.0° |
| C51 | C53 | C54 | 122.3° | 120.0° |
| C53 | C51 | H511 | 116.7° | 120.0° |
| C18 | C17 | C19 | 110.2° | 109.0° |
| C17 | C18 | C20 | 109.6° | 109.1° |
| C18 | C17 | H171 | 108.4° | 109.5° |
| C17 | C18 | H181 | 108.7° | 109.5° |
| C17 | C19 | O06 | 110.3° | 109.6° |
| C17 | C19 | C22 | 109.2° | 109.2° |
| C19 | C17 | H171 | 108.4° | 109.6° |
| C17 | C19 | H191 | 108.7° | 109.5° |
| C18 | C20 | O02 | 109.9° | 109.5° |
| C18 | C20 | C24 | 113.8° | 109.5° |
| C20 | C18 | H181 | 108.6° | 109.5° |
| C18 | C20 | H201 | 108.3° | 109.5° |
| C52 | C53 | C54 | 117.0° | 120.0° |
| C53 | C52 | C50 | 124.3° | 120.0° |
| C53 | C52 | H521 | 117.9° | 120.0° |
| C53 | C54 | H542 | 109.5° | 109.5° |
| C53 | C54 | H541 | 109.5° | 109.5° |
| C53 | C54 | H543 | 109.5° | 109.5° |
| C52 | C50 | C48 | 127.4° | 120.0° |
| C52 | C50 | H501 | 116.3° | 120.0° |
| C50 | C52 | H521 | 117.8° | 120.0° |
| O02 | C20 | C24 | 106.9° | 109.5° |
| C20 | O02 | C22 | 113.1° | 114.1° |
| O02 | C20 | H201 | 109.4° | 109.5° |
| C24 | C20 | H201 | 108.5° | 109.5° |
| C20 | C24 | H242 | 109.5° | 109.5° |
| C20 | C24 | H1C | 109.5° | 109.5° |
| C20 | C24 | H241 | 109.5° | 109.5° |
| O06 | C19 | C22 | 110.0° | 109.5° |
| C19 | O06 | H061 | 109.5° | 114.1° |
| O06 | C19 | H191 | 110.0° | 109.6° |
| C19 | C22 | O02 | 109.8° | 109.4° |
| C19 | C22 | O03 | 108.4° | 109.5° |
| C22 | C19 | H191 | 108.6° | 109.6° |
| C19 | C22 | H221 | 108.3° | 109.5° |
| O02 | C22 | O03 | 110.6° | 109.5° |
| O02 | C22 | H221 | 109.8° | 109.5° |
| C50 | C48 | C45 | 126.3° | 119.9° |
| C50 | C48 | H481 | 116.8° | 120.0° |
| C48 | C50 | H501 | 116.3° | 120.0° |
| C48 | C45 | C42 | 120.0° | 120.0° |
| C48 | C45 | C47 | 122.1° | 120.1° |
| C45 | C48 | H481 | 116.9° | 120.1° |
| C22 | O03 | C25 | 113.8° | 114.0° |
| O03 | C22 | H221 | 109.9° | 109.5° |
| O03 | C25 | C28 | 109.7° | 109.5° |
| O03 | C25 | C26 | 107.1° | 109.5° |
| O03 | C25 | H251 | 108.9° | 109.4° |
| C42 | C45 | C47 | 117.7° | 120.0° |
| C45 | C42 | C40 | 125.8° | 120.0° |
| C45 | C42 | H421 | 117.1° | 120.0° |
| C45 | C47 | H471 | 109.5° | 109.5° |
| C45 | C47 | H473 | 109.5° | 109.5° |
| C45 | C47 | H472 | 109.5° | 109.5° |
| C42 | C40 | C38 | 125.4° | 120.0° |
| C42 | C40 | H401 | 117.3° | 120.0° |
| C40 | C42 | H421 | 117.1° | 120.1° |
| C28 | C25 | C26 | 115.3° | 109.5° |
| C25 | C28 | C32 | 127.0° | 120.0° |
| C28 | C25 | H251 | 108.1° | 109.5° |
| C25 | C28 | H281 | 116.5° | 119.9° |
| C25 | C26 | C30 | 110.6° | 109.5° |
| C25 | C26 | C29 | 111.0° | 109.5° |
| C25 | C26 | O08 | 108.2° | 109.5° |
| C26 | C25 | H251 | 107.5° | 109.5° |
| C28 | C32 | C35 | 127.3° | 120.0° |
| C32 | C28 | H281 | 116.5° | 120.1° |
| C28 | C32 | H321 | 116.3° | 120.0° |
| C40 | C38 | C35 | 126.8° | 120.0° |
| C40 | C38 | H381 | 116.6° | 120.0° |
| C38 | C40 | H401 | 117.3° | 120.0° |
| C38 | C35 | C32 | 119.9° | 120.0° |
| C38 | C35 | C37 | 122.4° | 120.0° |
| C35 | C38 | H381 | 116.6° | 120.0° |
| C30 | C26 | C29 | 110.5° | 109.5° |
| C30 | C26 | O08 | 107.8° | 109.5° |
| C26 | C30 | H302 | 109.5° | 109.5° |
| C26 | C30 | H303 | 109.5° | 109.5° |
| C26 | C30 | H301 | 109.5° | 109.5° |
| C32 | C35 | C37 | 117.5° | 120.0° |
| C35 | C32 | H321 | 116.4° | 120.0° |
| C29 | C26 | O08 | 108.6° | 109.5° |
| C26 | C29 | H293 | 109.5° | 109.5° |
| C26 | C29 | H291 | 109.5° | 109.5° |
| C26 | C29 | H292 | 109.5° | 109.5° |
| C26 | O08 | H081 | 109.5° | 114.0° |
| C35 | C37 | H372 | 109.5° | 109.5° |
| C35 | C37 | H371 | 109.5° | 109.5° |
| C35 | C37 | H373 | 109.5° | 109.5° |
| H161 | C16 | H162 | 109.4° | 109.5° |
| H161 | C16 | H163 | 109.5° | 109.5° |
| H162 | C16 | H163 | 109.5° | 109.5° |
| H132 | C13 | H131 | 109.5° | 109.4° |
| H153 | C15 | H151 | 109.4° | 109.5° |
| H153 | C15 | H152 | 109.5° | 109.4° |
| H151 | C15 | H152 | 109.5° | 109.4° |
| H101 | C10 | H102 | 109.5° | 109.4° |
| H231 | C23 | H232 | 109.5° | 109.5° |
| H231 | C23 | H233 | 109.5° | 109.5° |
| H232 | C23 | H233 | 109.5° | 109.4° |
| H242 | C24 | H1C | 109.4° | 109.4° |
| H242 | C24 | H241 | 109.5° | 109.5° |
| H1C | C24 | H241 | 109.5° | 109.4° |
| H293 | C29 | H291 | 109.5° | 109.5° |
| H293 | C29 | H292 | 109.5° | 109.5° |
| H291 | C29 | H292 | 109.5° | 109.4° |
| H302 | C30 | H303 | 109.5° | 109.5° |
| H302 | C30 | H301 | 109.4° | 109.4° |
| H303 | C30 | H301 | 109.5° | 109.5° |
| H333 | C33 | H331 | 109.5° | 109.4° |
| H333 | C33 | H332 | 109.4° | 109.5° |
| H331 | C33 | H332 | 109.5° | 109.5° |
| H372 | C37 | H371 | 109.5° | 109.5° |
| H372 | C37 | H373 | 109.5° | 109.4° |
| H371 | C37 | H373 | 109.5° | 109.5° |
| H432 | C43 | H433 | 109.5° | 109.4° |
| H432 | C43 | H431 | 109.4° | 109.5° |
| H433 | C43 | H431 | 109.5° | 109.5° |
| H471 | C47 | H473 | 109.5° | 109.4° |
| H471 | C47 | H472 | 109.5° | 109.5° |
| H473 | C47 | H472 | 109.5° | 109.5° |
| H542 | C54 | H541 | 109.5° | 109.4° |
| H542 | C54 | H543 | 109.5° | 109.5° |
| H541 | C54 | H543 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C15 | C09 | C16 | C10 | 118.3° | 120.0° |
| C15 | C09 | C16 | C12 | 121.6° | 120.0° |
| C15 | C09 | C10 | C12 | 120.0° | 120.0° |
| C15 | C09 | C12 | C21 | 59.4° | 60.0° |
| C15 | C09 | C10 | C11 | 165.8° | 180.0° |
| C15 | C09 | C12 | C14 | 119.8° | 180.0° |
| C15 | C09 | C16 | H161 | 180.0° | 60.0° |
| C15 | C09 | C16 | H162 | 60.0° | 180.0° |
| C15 | C09 | C16 | H163 | 60.0° | 60.0° |
| C09 | C15 | H153 | H151 | 120.0° | 120.0° |
| C09 | C15 | H153 | H152 | 120.0° | 120.0° |
| C09 | C15 | H151 | H152 | 120.0° | 120.0° |
| C15 | C09 | C10 | H101 | 73.8° | 60.0° |
| C15 | C09 | C10 | H102 | 45.4° | 60.0° |
| C15 | C09 | C12 | H2 | 149.8° | 60.0° |
| C33 | C31 | C27 | C21 | 3.1° | 0.0° |
| C33 | C31 | C27 | C34 | 179.8° | 180.0° |
| C33 | C31 | C34 | C36 | 0.1° | 0.0° |
| C33 | C31 | C27 | H271 | 176.9° | 180.0° |
| C31 | C33 | H333 | H331 | 120.0° | 120.0° |
| C31 | C33 | H333 | H332 | 120.0° | 120.0° |
| C31 | C33 | H331 | H332 | 120.0° | 120.0° |
| C33 | C31 | C34 | H341 | 179.9° | 180.0° |
| C16 | C09 | C10 | C12 | 121.1° | 120.0° |
| C16 | C09 | C12 | C21 | 61.2° | 180.0° |
| C16 | C09 | C10 | C11 | 75.3° | 60.0° |
| C16 | C09 | C12 | C14 | 119.6° | 60.0° |
| C09 | C16 | H161 | H162 | 120.0° | 120.0° |
| C09 | C16 | H161 | H163 | 120.0° | 120.0° |
| C09 | C16 | H162 | H163 | 120.0° | 119.9° |
| C16 | C09 | C15 | H153 | 180.0° | 60.0° |
| C16 | C09 | C15 | H151 | 60.0° | 179.9° |
| C16 | C09 | C15 | H152 | 60.0° | 60.0° |
| C16 | C09 | C10 | H101 | 45.1° | 60.0° |
| C16 | C09 | C10 | H102 | 164.3° | 180.0° |
| C16 | C09 | C12 | H2 | 29.2° | 60.0° |
| C10 | C09 | C12 | C21 | 177.8° | 60.0° |
| C09 | C10 | C11 | H101 | 120.4° | 120.0° |
| C09 | C10 | C11 | H102 | 120.4° | 120.0° |
| C10 | C09 | C12 | C14 | 1.4° | 60.0° |
| C09 | C10 | C11 | O01 | 178.9° | 180.0° |
| C09 | C10 | C11 | C13 | 59.7° | 60.0° |
| C10 | C09 | C16 | H161 | 61.7° | 60.0° |
| C10 | C09 | C16 | H162 | 178.3° | 60.0° |
| C10 | C09 | C16 | H163 | 58.3° | 180.0° |
| C10 | C09 | C15 | H153 | 60.3° | 180.0° |
| C10 | C09 | C15 | H151 | 59.7° | 59.9° |
| C10 | C09 | C15 | H152 | 179.7° | 60.0° |
| C09 | C10 | H101 | H102 | 118.7° | 120.0° |
| C09 | C10 | C11 | H111 | 59.8° | 60.0° |
| C10 | C09 | C12 | H2 | 91.8° | 180.0° |
| C09 | C12 | C21 | C14 | 179.2° | 120.0° |
| C09 | C12 | C21 | H2 | 90.4° | 120.0° |
| C09 | C12 | C21 | C27 | 145.7° | 120.0° |
| C12 | C09 | C10 | C11 | 45.8° | 60.0° |
| C09 | C12 | C14 | H2 | 90.4° | 120.0° |
| C09 | C12 | C14 | C23 | 148.3° | 180.0° |
| C09 | C12 | C14 | C13 | 31.3° | 60.0° |
| C12 | C09 | C16 | H161 | 58.4° | 180.0° |
| C12 | C09 | C16 | H162 | 61.6° | 60.0° |
| C12 | C09 | C16 | H163 | 178.4° | 60.0° |
| C09 | C12 | C14 | H1 | 121.5° | 60.0° |
| C12 | C09 | C15 | H153 | 58.5° | 60.0° |
| C12 | C09 | C15 | H151 | 178.5° | 60.1° |
| C12 | C09 | C15 | H152 | 61.5° | 180.0° |
| C12 | C09 | C10 | H101 | 166.2° | 180.0° |
| C12 | C09 | C10 | H102 | 74.6° | 60.0° |
| C09 | C12 | C21 | H211 | 34.3° | 60.0° |
| C43 | C41 | C39 | C36 | 6.0° | 0.0° |
| C43 | C41 | C39 | C44 | 179.3° | 180.0° |
| C43 | C41 | C44 | C46 | 0.3° | 0.0° |
| C43 | C41 | C39 | H391 | 174.0° | 180.0° |
| C41 | C43 | H432 | H433 | 120.0° | 120.0° |
| C41 | C43 | H432 | H431 | 120.0° | 120.0° |
| C41 | C43 | H433 | H431 | 120.0° | 120.1° |
| C43 | C41 | C44 | H441 | 179.7° | 180.0° |
| C12 | C21 | C27 | H211 | 180.0° | 179.9° |
| C12 | C21 | C27 | C31 | 178.7° | 180.0° |
| C21 | C12 | C14 | H2 | 90.4° | 120.0° |
| C21 | C12 | C14 | C23 | 30.8° | 60.0° |
| C21 | C12 | C14 | C13 | 149.5° | 60.0° |
| C21 | C12 | C14 | H1 | 59.3° | 179.9° |
| C12 | C21 | C27 | H271 | 1.3° | 0.0° |
| C21 | C27 | C31 | H271 | 180.0° | 180.0° |
| C21 | C27 | C31 | C34 | 176.7° | 180.0° |
| C27 | C21 | C12 | C14 | 35.1° | 120.0° |
| C27 | C21 | C12 | H2 | 55.4° | 0.0° |
| C27 | C31 | C34 | C36 | 179.8° | 180.0° |
| C31 | C27 | C21 | H211 | 1.3° | 0.1° |
| C27 | C31 | C33 | H333 | 180.0° | 90.0° |
| C27 | C31 | C33 | H331 | 60.0° | 150.0° |
| C27 | C31 | C33 | H332 | 60.0° | 30.0° |
| C27 | C31 | C34 | H341 | 0.2° | 0.0° |
| C31 | C34 | C36 | H341 | 180.0° | 179.9° |
| C31 | C34 | C36 | C39 | 178.1° | 180.0° |
| C34 | C31 | C27 | H271 | 3.3° | 0.0° |
| C34 | C31 | C33 | H333 | 0.2° | 90.0° |
| C34 | C31 | C33 | H331 | 120.3° | 30.0° |
| C34 | C31 | C33 | H332 | 119.8° | 150.0° |
| C31 | C34 | C36 | H361 | 1.9° | 0.0° |
| C10 | C11 | C13 | C14 | 27.4° | 60.0° |
| C10 | C11 | O01 | C13 | 122.9° | 120.0° |
| C10 | C11 | O01 | H111 | 118.4° | 120.0° |
| C10 | C11 | C13 | H111 | 119.4° | 120.0° |
| C10 | C11 | C13 | H132 | 93.2° | 60.0° |
| C10 | C11 | C13 | H131 | 148.0° | 180.0° |
| C10 | C11 | O01 | H011 | 180.0° | 180.0° |
| C11 | C10 | H101 | H102 | 118.8° | 120.0° |
| C12 | C14 | C23 | C13 | 179.7° | 120.0° |
| C12 | C14 | C23 | H1 | 90.2° | 120.0° |
| C12 | C14 | C13 | H1 | 90.2° | 120.0° |
| C12 | C14 | C13 | C11 | 17.0° | 60.0° |
| C12 | C14 | C13 | H132 | 137.6° | 60.1° |
| C12 | C14 | C13 | H131 | 103.6° | 180.0° |
| C14 | C12 | C21 | H211 | 144.9° | 60.0° |
| C12 | C14 | C23 | H231 | 180.0° | 60.0° |
| C12 | C14 | C23 | H232 | 60.0° | 60.0° |
| C12 | C14 | C23 | H233 | 60.0° | 180.0° |
| C34 | C36 | C39 | H361 | 180.0° | 180.0° |
| C34 | C36 | C39 | C41 | 179.8° | 180.0° |
| C34 | C36 | C39 | H391 | 0.2° | 0.0° |
| C36 | C39 | C41 | H391 | 180.0° | 180.0° |
| C36 | C39 | C41 | C44 | 173.2° | 180.0° |
| C39 | C36 | C34 | H341 | 1.9° | 0.0° |
| C39 | C41 | C44 | C46 | 179.5° | 180.0° |
| C41 | C39 | C36 | H361 | 0.2° | 0.0° |
| C39 | C41 | C43 | H432 | 180.0° | 90.0° |
| C39 | C41 | C43 | H433 | 60.0° | 150.0° |
| C39 | C41 | C43 | H431 | 60.0° | 30.0° |
| C39 | C41 | C44 | H441 | 0.5° | 0.0° |
| C41 | C44 | C46 | H441 | 180.0° | 179.9° |
| C41 | C44 | C46 | C49 | 174.4° | 180.0° |
| C44 | C41 | C39 | H391 | 6.8° | 0.0° |
| C44 | C41 | C43 | H432 | 0.7° | 90.0° |
| C44 | C41 | C43 | H433 | 120.8° | 29.9° |
| C44 | C41 | C43 | H431 | 119.2° | 150.0° |
| C41 | C44 | C46 | H461 | 5.6° | 0.1° |
| C23 | C14 | C13 | H1 | 90.1° | 120.0° |
| C23 | C14 | C13 | C11 | 162.7° | 180.0° |
| C23 | C14 | C13 | H132 | 42.1° | 60.0° |
| C23 | C14 | C13 | H131 | 76.7° | 60.0° |
| C23 | C14 | C12 | H2 | 121.3° | 60.0° |
| C14 | C23 | H231 | H232 | 120.0° | 120.0° |
| C14 | C23 | H231 | H233 | 120.0° | 120.0° |
| C14 | C23 | H232 | H233 | 120.0° | 119.9° |
| C14 | C13 | C11 | O01 | 148.6° | 180.0° |
| C14 | C13 | C11 | H132 | 120.6° | 120.0° |
| C14 | C13 | C11 | H131 | 120.6° | 120.0° |
| C14 | C13 | H132 | H131 | 118.1° | 120.0° |
| C14 | C13 | C11 | H111 | 92.0° | 60.0° |
| C13 | C14 | C12 | H2 | 59.1° | 180.0° |
| C13 | C14 | C23 | H231 | 0.3° | 60.0° |
| C13 | C14 | C23 | H232 | 119.7° | 180.0° |
| C13 | C14 | C23 | H233 | 120.3° | 60.0° |
| O01 | C11 | C13 | H111 | 119.4° | 120.0° |
| O01 | C11 | C13 | H132 | 28.0° | 60.0° |
| O01 | C11 | C13 | H131 | 90.8° | 60.0° |
| O01 | C11 | C10 | H101 | 58.5° | 60.0° |
| O01 | C11 | C10 | H102 | 60.7° | 60.0° |
| C11 | C13 | H132 | H131 | 118.1° | 120.0° |
| C11 | C13 | C14 | H1 | 107.2° | 60.0° |
| C13 | C11 | O01 | H011 | 57.1° | 60.0° |
| C13 | C11 | C10 | H101 | 179.9° | 180.0° |
| C13 | C11 | C10 | H102 | 60.7° | 60.0° |
| C44 | C46 | C49 | H461 | 180.0° | 179.9° |
| C44 | C46 | C49 | C51 | 179.8° | 179.9° |
| C44 | C46 | C49 | H491 | 0.2° | 0.1° |
| C46 | C49 | C51 | H491 | 180.0° | 180.0° |
| C46 | C49 | C51 | C53 | 171.9° | NaN° |
| C49 | C46 | C44 | H441 | 5.6° | 0.1° |
| C46 | C49 | C51 | H511 | 8.1° | 0.0° |
| O05 | C18 | C17 | O04 | 53.4° | 63.2° |
| O05 | C18 | C17 | C20 | 121.0° | 119.9° |
| O05 | C18 | C17 | H181 | 120.4° | 120.1° |
| O05 | C18 | C17 | C19 | 174.9° | 176.9° |
| O05 | C18 | C20 | H181 | 120.4° | 120.2° |
| O05 | C18 | C20 | O02 | 151.1° | 177.5° |
| O05 | C18 | C20 | C24 | 89.1° | 62.5° |
| O05 | C18 | C17 | H171 | 66.6° | 57.0° |
| O05 | C18 | C20 | H201 | 31.6° | 57.5° |
| O04 | C17 | C18 | C19 | 121.6° | 119.9° |
| O04 | C17 | C18 | H171 | 120.0° | 120.2° |
| O04 | C17 | C19 | H171 | 120.0° | 120.3° |
| O04 | C17 | C18 | C20 | 174.4° | 176.8° |
| O04 | C17 | C19 | O06 | 30.5° | 57.0° |
| O04 | C17 | C19 | C22 | 151.5° | 176.8° |
| O04 | C17 | C18 | H181 | 67.1° | 56.9° |
| O04 | C17 | C19 | H191 | 90.1° | 63.3° |
| C49 | C51 | C53 | H511 | 180.0° | 180.0° |
| C49 | C51 | C53 | C52 | 174.9° | 180.0° |
| C49 | C51 | C53 | C54 | 2.2° | 0.0° |
| C51 | C49 | C46 | H461 | 0.2° | 0.0° |
| C51 | C53 | C52 | C54 | 177.3° | 180.0° |
| C51 | C53 | C52 | C50 | 175.8° | 180.0° |
| C53 | C51 | C49 | H491 | 8.1° | 0.0° |
| C51 | C53 | C52 | H521 | 4.2° | 0.0° |
| C51 | C53 | C54 | H542 | 180.0° | 90.0° |
| C51 | C53 | C54 | H541 | 60.0° | 150.0° |
| C51 | C53 | C54 | H543 | 60.0° | 30.0° |
| C18 | C17 | C19 | H171 | 118.5° | 119.9° |
| C17 | C18 | C20 | H181 | 118.6° | 119.9° |
| C17 | C18 | C20 | O02 | 30.1° | 57.6° |
| C17 | C18 | C20 | C24 | 149.8° | 177.6° |
| C18 | C17 | C19 | O06 | 91.1° | 62.9° |
| C18 | C17 | C19 | C22 | 30.0° | 57.0° |
| C18 | C17 | O04 | H041 | 180.0° | 180.0° |
| C17 | C18 | O05 | H051 | 180.0° | 180.0° |
| C18 | C17 | C19 | H191 | 148.3° | 176.9° |
| C17 | C18 | C20 | H201 | 89.4° | 62.4° |
| C19 | C17 | C18 | C20 | 64.1° | 57.0° |
| C17 | C19 | O06 | C22 | 120.5° | 119.7° |
| C17 | C19 | O06 | H191 | 119.8° | 120.2° |
| C17 | C19 | C22 | H191 | 118.4° | 119.9° |
| C17 | C19 | C22 | O02 | 33.7° | 57.6° |
| C17 | C19 | C22 | O03 | 154.6° | 62.4° |
| C19 | C17 | O04 | H041 | 58.3° | 60.5° |
| C17 | C19 | O06 | H061 | 180.0° | 180.0° |
| C19 | C17 | C18 | H181 | 54.5° | 63.0° |
| C17 | C19 | C22 | H221 | 86.2° | 177.6° |
| C18 | C20 | O02 | C24 | 123.9° | 120.0° |
| C18 | C20 | O02 | H201 | 118.8° | 120.0° |
| C18 | C20 | C24 | H201 | 120.6° | 120.0° |
| C18 | C20 | O02 | C22 | 36.0° | 61.2° |
| C20 | C18 | O05 | H051 | 59.2° | 60.3° |
| C20 | C18 | C17 | H171 | 54.4° | 63.0° |
| C18 | C20 | C24 | H242 | 180.0° | 65.6° |
| C18 | C20 | C24 | H1C | 60.0° | 174.4° |
| C18 | C20 | C24 | H241 | 60.0° | 54.4° |
| C53 | C52 | C50 | H521 | 180.0° | 179.9° |
| C53 | C52 | C50 | C48 | 179.0° | 180.0° |
| C53 | C52 | C50 | H501 | 1.0° | 0.1° |
| C52 | C53 | C51 | H511 | 5.1° | 0.0° |
| C52 | C53 | C54 | H542 | 2.8° | 90.0° |
| C52 | C53 | C54 | H541 | 122.8° | 30.0° |
| C52 | C53 | C54 | H543 | 117.3° | 150.0° |
| C54 | C53 | C52 | C50 | 1.5° | 0.0° |
| C54 | C53 | C51 | H511 | 177.8° | 180.0° |
| C54 | C53 | C52 | H521 | 178.5° | 180.0° |
| C53 | C54 | H542 | H541 | 120.0° | 120.0° |
| C53 | C54 | H542 | H543 | 120.0° | 120.0° |
| C53 | C54 | H541 | H543 | 120.0° | 120.0° |
| C52 | C50 | C48 | H501 | 180.0° | 179.9° |
| C52 | C50 | C48 | C45 | 176.6° | 180.0° |
| C52 | C50 | C48 | H481 | 3.4° | 0.1° |
| O02 | C20 | C24 | H201 | 117.9° | 120.0° |
| C20 | O02 | C22 | C19 | 72.2° | 61.2° |
| C20 | O02 | C22 | O03 | 168.2° | 58.8° |
| O02 | C20 | C18 | H181 | 88.5° | 62.3° |
| C20 | O02 | C22 | H221 | 46.8° | 178.9° |
| O02 | C20 | C24 | H242 | 58.5° | 174.4° |
| O02 | C20 | C24 | H1C | 61.4° | 54.4° |
| O02 | C20 | C24 | H241 | 178.5° | 65.6° |
| C24 | C20 | O02 | C22 | 87.9° | 178.8° |
| C24 | C20 | C18 | H181 | 31.2° | 57.7° |
| C20 | C24 | H242 | H1C | 120.0° | 120.0° |
| C20 | C24 | H242 | H241 | 120.0° | 120.0° |
| C20 | C24 | H1C | H241 | 120.0° | 120.0° |
| O06 | C19 | C22 | H191 | 120.5° | 120.2° |
| O06 | C19 | C22 | O02 | 154.8° | 62.3° |
| O06 | C19 | C22 | O03 | 84.3° | 177.7° |
| O06 | C19 | C17 | H171 | 150.5° | 177.2° |
| O06 | C19 | C22 | H221 | 34.9° | 57.7° |
| C19 | C22 | O02 | O03 | 119.6° | 120.0° |
| C19 | C22 | O02 | H221 | 119.0° | 119.9° |
| C19 | C22 | O03 | H221 | 118.2° | 120.0° |
| C19 | C22 | O03 | C25 | 92.0° | 152.9° |
| C22 | C19 | O06 | H061 | 59.5° | 60.4° |
| C22 | C19 | C17 | H171 | 88.5° | 62.9° |
| O02 | C22 | O03 | H221 | 121.4° | 120.0° |
| O02 | C22 | O03 | C25 | 147.6° | 87.1° |
| O02 | C22 | C19 | H191 | 84.7° | 177.5° |
| C22 | O02 | C20 | H201 | 154.8° | 58.8° |
| C50 | C48 | C45 | H481 | 180.0° | 179.9° |
| C50 | C48 | C45 | C42 | 173.5° | 179.9° |
| C50 | C48 | C45 | C47 | 1.8° | 0.1° |
| C48 | C50 | C52 | H521 | 1.0° | 0.1° |
| C48 | C45 | C42 | C47 | 175.4° | 180.0° |
| C48 | C45 | C42 | C40 | 163.4° | 179.9° |
| C48 | C45 | C42 | H421 | 16.6° | 0.0° |
| C48 | C45 | C47 | H471 | 180.0° | 90.0° |
| C48 | C45 | C47 | H473 | 60.0° | 30.0° |
| C48 | C45 | C47 | H472 | 60.0° | 150.0° |
| C45 | C48 | C50 | H501 | 3.4° | 0.1° |
| C22 | O03 | C25 | C28 | 126.6° | 121.6° |
| C22 | O03 | C25 | C26 | 107.5° | 118.4° |
| O03 | C22 | C19 | H191 | 36.2° | 57.5° |
| C22 | O03 | C25 | H251 | 8.5° | 1.6° |
| O03 | C25 | C28 | C26 | 121.0° | 120.0° |
| O03 | C25 | C28 | H251 | 118.6° | 120.0° |
| O03 | C25 | C26 | H251 | 116.9° | 120.0° |
| O03 | C25 | C28 | C32 | 146.4° | 120.0° |
| O03 | C25 | C26 | C30 | 55.6° | 66.3° |
| O03 | C25 | C26 | C29 | 67.4° | 53.7° |
| O03 | C25 | C26 | O08 | 173.5° | 173.7° |
| C25 | O03 | C22 | H221 | 26.2° | 32.9° |
| O03 | C25 | C28 | H281 | 33.6° | 60.0° |
| C45 | C42 | C40 | H421 | 180.0° | 180.0° |
| C45 | C42 | C40 | C38 | 179.5° | 180.0° |
| C45 | C42 | C40 | H401 | 0.5° | 0.1° |
| C42 | C45 | C47 | H471 | 4.7° | 90.0° |
| C42 | C45 | C47 | H473 | 124.7° | 150.0° |
| C42 | C45 | C47 | H472 | 115.3° | 30.0° |
| C42 | C45 | C48 | H481 | 6.5° | 0.1° |
| C47 | C45 | C42 | C40 | 12.0° | 0.0° |
| C47 | C45 | C42 | H421 | 168.0° | 180.0° |
| C45 | C47 | H471 | H473 | 120.0° | 120.0° |
| C45 | C47 | H471 | H472 | 120.0° | 120.0° |
| C45 | C47 | H473 | H472 | 120.0° | 120.0° |
| C47 | C45 | C48 | H481 | 178.2° | 180.0° |
| C42 | C40 | C38 | H401 | 180.0° | 179.9° |
| C42 | C40 | C38 | C35 | 174.8° | 180.0° |
| C42 | C40 | C38 | H381 | 5.2° | 0.1° |
| C28 | C25 | C26 | H251 | 120.7° | 120.0° |
| C25 | C28 | C32 | H281 | 180.0° | 179.9° |
| C28 | C25 | C26 | C30 | 178.0° | 173.6° |
| C25 | C28 | C32 | C35 | 175.3° | 180.0° |
| C28 | C25 | C26 | C29 | 55.0° | 66.3° |
| C28 | C25 | C26 | O08 | 64.1° | 53.7° |
| C25 | C28 | C32 | H321 | 4.7° | 0.0° |
| C26 | C25 | C28 | C32 | 25.4° | 120.0° |
| C25 | C26 | C30 | C29 | 123.3° | 120.0° |
| C25 | C26 | C30 | O08 | 118.1° | 120.0° |
| C25 | C26 | C29 | O08 | 118.9° | 120.0° |
| C25 | C26 | O08 | H081 | 180.0° | 60.0° |
| C26 | C25 | C28 | H281 | 154.6° | 60.1° |
| C25 | C26 | C29 | H293 | 180.0° | 60.0° |
| C25 | C26 | C29 | H291 | 60.0° | 180.0° |
| C25 | C26 | C29 | H292 | 60.0° | 60.0° |
| C25 | C26 | C30 | H302 | 180.0° | 52.3° |
| C25 | C26 | C30 | H303 | 60.0° | 172.3° |
| C25 | C26 | C30 | H301 | 60.0° | 67.7° |
| C28 | C32 | C35 | C38 | 7.5° | 180.0° |
| C28 | C32 | C35 | H321 | 180.0° | 180.0° |
| C28 | C32 | C35 | C37 | 176.2° | 0.0° |
| C32 | C28 | C25 | H251 | 95.0° | 0.0° |
| C40 | C38 | C35 | H381 | 180.0° | 179.9° |
| C40 | C38 | C35 | C32 | 175.0° | 180.0° |
| C40 | C38 | C35 | C37 | 1.2° | 0.1° |
| C38 | C40 | C42 | H421 | 0.5° | 0.1° |
| C38 | C35 | C32 | C37 | 176.3° | 180.0° |
| C38 | C35 | C32 | H321 | 172.6° | 0.1° |
| C38 | C35 | C37 | H372 | 180.0° | 90.0° |
| C38 | C35 | C37 | H371 | 60.0° | 30.0° |
| C38 | C35 | C37 | H373 | 60.0° | 150.0° |
| C35 | C38 | C40 | H401 | 5.2° | 0.1° |
| C30 | C26 | C29 | O08 | 118.1° | 120.0° |
| C30 | C26 | O08 | H081 | 60.4° | 60.0° |
| C30 | C26 | C25 | H251 | 61.3° | 53.6° |
| C30 | C26 | C29 | H293 | 56.9° | 180.0° |
| C30 | C26 | C29 | H291 | 63.1° | 60.0° |
| C30 | C26 | C29 | H292 | 177.0° | 60.0° |
| C26 | C30 | H302 | H303 | 120.0° | 120.1° |
| C26 | C30 | H302 | H301 | 120.0° | 120.0° |
| C26 | C30 | H303 | H301 | 120.0° | 120.0° |
| C35 | C32 | C28 | H281 | 4.7° | 0.1° |
| C32 | C35 | C37 | H372 | 3.8° | 90.0° |
| C32 | C35 | C37 | H371 | 123.8° | 150.0° |
| C32 | C35 | C37 | H373 | 116.2° | 29.9° |
| C32 | C35 | C38 | H381 | 5.0° | 0.0° |
| C29 | C26 | O08 | H081 | 59.4° | 180.0° |
| C29 | C26 | C25 | H251 | 175.7° | 173.7° |
| C26 | C29 | H293 | H291 | 120.0° | 120.0° |
| C26 | C29 | H293 | H292 | 120.0° | 120.0° |
| C26 | C29 | H291 | H292 | 120.0° | 120.0° |
| C29 | C26 | C30 | H302 | 56.7° | 67.8° |
| C29 | C26 | C30 | H303 | 176.7° | 52.3° |
| C29 | C26 | C30 | H301 | 63.3° | 172.3° |
| O08 | C26 | C25 | H251 | 56.6° | 66.3° |
| O08 | C26 | C29 | H293 | 61.1° | 60.0° |
| O08 | C26 | C29 | H291 | 178.8° | 60.0° |
| O08 | C26 | C29 | H292 | 58.9° | 180.0° |
| O08 | C26 | C30 | H302 | 61.9° | 172.3° |
| O08 | C26 | C30 | H303 | 58.1° | 67.7° |
| O08 | C26 | C30 | H301 | 178.1° | 52.3° |
| C37 | C35 | C32 | H321 | 3.8° | 180.0° |
| C35 | C37 | H372 | H371 | 120.0° | 120.0° |
| C35 | C37 | H372 | H373 | 120.0° | 120.0° |
| C35 | C37 | H371 | H373 | 120.0° | 120.0° |
| C37 | C35 | C38 | H381 | 178.8° | 180.0° |
| H161 | C16 | H162 | H163 | 120.0° | 120.1° |
| H132 | C13 | C14 | H1 | 132.2° | 180.0° |
| H132 | C13 | C11 | H111 | 147.4° | 180.0° |
| H131 | C13 | C14 | H1 | 13.4° | 60.0° |
| H131 | C13 | C11 | H111 | 28.6° | 60.0° |
| H1 | C14 | C12 | H2 | 31.1° | 60.0° |
| H1 | C14 | C23 | H231 | 89.8° | 180.0° |
| H1 | C14 | C23 | H232 | 150.2° | 60.0° |
| H1 | C14 | C23 | H233 | 30.2° | 59.9° |
| H153 | C15 | H151 | H152 | 120.0° | 120.0° |
| H011 | O01 | C11 | H111 | 61.6° | 60.0° |
| H041 | O04 | C17 | H171 | 60.9° | 59.8° |
| H051 | O05 | C18 | H181 | 60.4° | 59.9° |
| H061 | O06 | C19 | H191 | 60.1° | 59.8° |
| H101 | C10 | C11 | H111 | 60.7° | 60.0° |
| H102 | C10 | C11 | H111 | 179.8° | 179.9° |
| H2 | C12 | C21 | H211 | 124.6° | 179.9° |
| H171 | C17 | C18 | H181 | 173.0° | 177.1° |
| H171 | C17 | C19 | H191 | 29.9° | 57.0° |
| H181 | C18 | C20 | H201 | 152.0° | 177.7° |
| H191 | C19 | C22 | H221 | 155.4° | 62.5° |
| H201 | C20 | C24 | H242 | 59.4° | 54.4° |
| H201 | C20 | C24 | H1C | 179.4° | 65.6° |
| H201 | C20 | C24 | H241 | 60.6° | 174.4° |
| H211 | C21 | C27 | H271 | 178.7° | 179.9° |
| H231 | C23 | H232 | H233 | 120.0° | 120.0° |
| H242 | C24 | H1C | H241 | 120.0° | 120.0° |
| H251 | C25 | C28 | H281 | 85.1° | 179.9° |
| H281 | C28 | C32 | H321 | 175.3° | 179.9° |
| H293 | C29 | H291 | H292 | 120.0° | 120.0° |
| H302 | C30 | H303 | H301 | 120.0° | 119.9° |
| H333 | C33 | H331 | H332 | 120.0° | 120.0° |
| H341 | C34 | C36 | H361 | 178.1° | 180.0° |
| H361 | C36 | C39 | H391 | 179.8° | 180.0° |
| H372 | C37 | H371 | H373 | 120.0° | 120.0° |
| H381 | C38 | C40 | H401 | 174.8° | 180.0° |
| H401 | C40 | C42 | H421 | 179.5° | 180.0° |
| H432 | C43 | H433 | H431 | 120.0° | 120.0° |
| H441 | C44 | C46 | H461 | 174.4° | NaN° |
| H461 | C46 | C49 | H491 | 179.8° | 180.0° |
| H471 | C47 | H473 | H472 | 120.0° | 120.0° |
| H481 | C48 | C50 | H501 | 176.6° | 180.0° |
| H491 | C49 | C51 | H511 | 171.9° | 180.0° |
| H501 | C50 | C52 | H521 | 179.0° | 180.0° |
| H542 | C54 | H541 | H543 | 120.0° | 120.0° |
