MQ9
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C5 | C5M | sing | 1.51Å | 1.53Å | |
| C5 | C4 | sing | 1.47Å | 1.46Å | |
| C5 | C6 | doub | 1.34Å | 1.37Å | |
| C5M | H5M3 | sing | 1.09Å | 1.12Å | |
| C5M | H5M2 | sing | 1.09Å | 1.12Å | |
| C5M | H5M1 | sing | 1.09Å | 1.12Å | |
| C4 | O4 | doub | 1.22Å | 1.24Å | |
| C4 | C3 | sing | 1.48Å | 1.45Å | |
| C3 | C2 | doub | 1.41Å | 1.36Å | Aromatic |
| C3 | C3A | sing | 1.39Å | 1.39Å | Aromatic |
| C2 | C1 | sing | 1.48Å | 1.45Å | |
| C2 | C3D | sing | 1.39Å | 1.40Å | Aromatic |
| C1 | O1 | doub | 1.21Å | 1.23Å | |
| C1 | C6 | sing | 1.47Å | 1.44Å | |
| C6 | C7 | sing | 1.51Å | 1.51Å | |
| C3A | C3B | doub | 1.39Å | 1.38Å | Aromatic |
| C3A | H3A | sing | 1.08Å | 1.10Å | |
| C3B | C3C | sing | 1.38Å | 1.41Å | Aromatic |
| C3B | H3B | sing | 1.08Å | 1.10Å | |
| C3C | C3D | doub | 1.39Å | 1.38Å | Aromatic |
| C3C | H3C | sing | 1.08Å | 1.10Å | |
| C3D | H3D | sing | 1.08Å | 1.10Å | |
| C7 | C8 | sing | 1.51Å | 1.47Å | |
| C7 | H72 | sing | 1.09Å | 1.11Å | |
| C7 | H71 | sing | 1.09Å | 1.12Å | |
| C8 | C9 | doub | 1.31Å | 1.39Å | |
| C8 | H8 | sing | 1.08Å | 1.10Å | |
| C9 | C10 | sing | 1.51Å | 1.53Å | |
| C9 | C11 | sing | 1.51Å | 1.52Å | |
| C10 | H103 | sing | 1.09Å | 1.12Å | |
| C10 | H102 | sing | 1.09Å | 1.11Å | |
| C10 | H101 | sing | 1.09Å | 1.11Å | |
| C11 | C12 | sing | 1.53Å | 1.51Å | |
| C11 | H112 | sing | 1.09Å | 1.12Å | |
| C11 | H111 | sing | 1.09Å | 1.11Å | |
| C12 | C13 | sing | 1.51Å | 1.39Å | |
| C12 | H121 | sing | 1.09Å | 1.11Å | |
| C12 | H122 | sing | 1.09Å | 1.11Å | |
| C13 | C14 | doub | 1.31Å | 1.38Å | |
| C13 | H13 | sing | 1.08Å | 1.10Å | |
| C14 | C15 | sing | 1.51Å | 1.53Å | |
| C14 | C16 | sing | 1.51Å | 1.51Å | |
| C15 | H153 | sing | 1.09Å | 1.12Å | |
| C15 | H152 | sing | 1.09Å | 1.11Å | |
| C15 | H151 | sing | 1.09Å | 1.11Å | |
| C16 | C17 | sing | 1.53Å | 1.52Å | |
| C16 | H162 | sing | 1.09Å | 1.12Å | |
| C16 | H161 | sing | 1.09Å | 1.12Å | |
| C17 | C18 | sing | 1.51Å | 1.43Å | |
| C17 | H172 | sing | 1.09Å | 1.12Å | |
| C17 | H171 | sing | 1.09Å | 1.12Å | |
| C18 | C19 | doub | 1.31Å | 1.38Å | |
| C18 | H18 | sing | 1.08Å | 1.10Å | |
| C19 | C20 | sing | 1.51Å | 1.54Å | |
| C19 | C21 | sing | 1.51Å | 1.49Å | |
| C20 | H203 | sing | 1.09Å | 1.11Å | |
| C20 | H202 | sing | 1.09Å | 1.12Å | |
| C20 | H201 | sing | 1.09Å | 1.12Å | |
| C21 | C22 | sing | 1.53Å | 1.51Å | |
| C21 | H212 | sing | 1.09Å | 1.11Å | |
| C21 | H211 | sing | 1.09Å | 1.12Å | |
| C22 | C23 | sing | 1.51Å | 1.43Å | |
| C22 | H222 | sing | 1.09Å | 1.12Å | |
| C22 | H221 | sing | 1.09Å | 1.12Å | |
| C23 | C24 | doub | 1.31Å | 1.38Å | |
| C23 | H23 | sing | 1.08Å | 1.10Å | |
| C24 | C25 | sing | 1.51Å | 1.53Å | |
| C24 | C26 | sing | 1.51Å | 1.52Å | |
| C25 | H253 | sing | 1.09Å | 1.12Å | |
| C25 | H252 | sing | 1.09Å | 1.12Å | |
| C25 | H251 | sing | 1.09Å | 1.11Å | |
| C26 | C27 | sing | 1.53Å | 1.52Å | |
| C26 | H262 | sing | 1.09Å | 1.11Å | |
| C26 | H261 | sing | 1.09Å | 1.11Å | |
| C27 | C28 | sing | 1.51Å | 1.48Å | |
| C27 | H272 | sing | 1.09Å | 1.12Å | |
| C27 | H271 | sing | 1.09Å | 1.12Å | |
| C28 | C29 | doub | 1.31Å | 1.39Å | |
| C28 | H28 | sing | 1.08Å | 1.10Å | |
| C29 | C30 | sing | 1.51Å | 1.54Å | |
| C29 | C31 | sing | 1.51Å | 1.52Å | |
| C30 | H303 | sing | 1.09Å | 1.12Å | |
| C30 | H302 | sing | 1.09Å | 1.12Å | |
| C30 | H301 | sing | 1.09Å | 1.12Å | |
| C31 | C32 | sing | 1.53Å | 1.52Å | |
| C31 | H312 | sing | 1.09Å | 1.12Å | |
| C31 | H311 | sing | 1.09Å | 1.11Å | |
| C32 | C33 | sing | 1.51Å | 1.42Å | |
| C32 | H321 | sing | 1.09Å | 1.12Å | |
| C32 | H322 | sing | 1.09Å | 1.12Å | |
| C33 | C34 | doub | 1.31Å | 1.38Å | |
| C33 | H33 | sing | 1.08Å | 1.10Å | |
| C34 | C35 | sing | 1.51Å | 1.53Å | |
| C34 | C36 | sing | 1.51Å | 1.51Å | |
| C35 | H353 | sing | 1.09Å | 1.12Å | |
| C35 | H352 | sing | 1.09Å | 1.12Å | |
| C35 | H351 | sing | 1.09Å | 1.12Å | |
| C36 | C37 | sing | 1.53Å | 1.51Å | |
| C36 | H362 | sing | 1.09Å | 1.11Å | |
| C36 | H361 | sing | 1.09Å | 1.12Å | |
| C37 | C38 | sing | 1.51Å | 1.43Å | |
| C37 | H372 | sing | 1.09Å | 1.11Å | |
| C37 | H371 | sing | 1.09Å | 1.12Å | |
| C38 | C39 | doub | 1.31Å | 1.40Å | |
| C38 | H38 | sing | 1.08Å | 1.10Å | |
| C39 | C40 | sing | 1.51Å | 1.57Å | |
| C39 | C41 | sing | 1.51Å | 1.54Å | |
| C40 | H403 | sing | 1.09Å | 1.12Å | |
| C40 | H402 | sing | 1.09Å | 1.12Å | |
| C40 | H401 | sing | 1.09Å | 1.11Å | |
| C41 | C42 | sing | 1.53Å | 1.53Å | |
| C41 | H412 | sing | 1.09Å | 1.11Å | |
| C41 | H411 | sing | 1.09Å | 1.12Å | |
| C42 | C43 | sing | 1.51Å | 1.46Å | |
| C42 | H422 | sing | 1.09Å | 1.12Å | |
| C42 | H421 | sing | 1.09Å | 1.11Å | |
| C43 | C44 | doub | 1.31Å | 1.40Å | |
| C43 | H43 | sing | 1.08Å | 1.10Å | |
| C44 | C45 | sing | 1.51Å | 1.57Å | |
| C44 | C46 | sing | 1.51Å | 1.57Å | |
| C45 | H453 | sing | 1.09Å | 1.12Å | |
| C45 | H452 | sing | 1.09Å | 1.12Å | |
| C45 | H451 | sing | 1.09Å | 1.11Å | |
| C46 | C47 | sing | 1.53Å | 1.54Å | |
| C46 | H462 | sing | 1.09Å | 1.12Å | |
| C46 | H461 | sing | 1.09Å | 1.12Å | |
| C47 | C48 | sing | 1.51Å | 1.48Å | |
| C47 | H472 | sing | 1.09Å | 1.11Å | |
| C47 | H471 | sing | 1.09Å | 1.11Å | |
| C48 | C49 | doub | 1.31Å | 1.40Å | |
| C48 | H48 | sing | 1.08Å | 1.10Å | |
| C49 | C50 | sing | 1.51Å | 1.57Å | |
| C49 | C51 | sing | 1.51Å | 1.56Å | |
| C50 | H503 | sing | 1.09Å | 1.12Å | |
| C50 | H502 | sing | 1.09Å | 1.12Å | |
| C50 | H501 | sing | 1.09Å | 1.11Å | |
| C51 | H513 | sing | 1.09Å | 1.12Å | |
| C51 | H512 | sing | 1.09Å | 1.11Å | |
| C51 | H511 | sing | 1.09Å | 1.12Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C5M | C5 | C4 | 117.3° | 119.6° |
| C5M | C5 | C6 | 122.1° | 119.5° |
| C5 | C5M | H5M3 | 117.3° | 109.5° |
| C5 | C5M | H5M2 | 109.4° | 109.5° |
| C5 | C5M | H5M1 | 109.4° | 109.5° |
| C4 | C5 | C6 | 120.7° | 120.9° |
| C5 | C4 | O4 | 120.9° | 120.1° |
| C5 | C4 | C3 | 119.3° | 119.8° |
| C5 | C6 | C1 | 119.4° | 120.9° |
| C5 | C6 | C7 | 120.2° | 119.5° |
| H5M3 | C5M | H5M2 | 109.3° | 109.5° |
| H5M3 | C5M | H5M1 | 109.4° | 109.4° |
| H5M2 | C5M | H5M1 | 100.7° | 109.5° |
| O4 | C4 | C3 | 119.8° | 120.1° |
| C4 | C3 | C2 | 120.1° | 119.3° |
| C4 | C3 | C3A | 119.5° | 120.9° |
| C2 | C3 | C3A | 120.4° | 119.8° |
| C3 | C2 | C1 | 120.1° | 119.3° |
| C3 | C2 | C3D | 120.6° | 119.8° |
| C3 | C3A | C3B | 119.8° | 119.8° |
| C3 | C3A | H3A | 120.4° | 120.2° |
| C1 | C2 | C3D | 119.2° | 120.9° |
| C2 | C1 | O1 | 120.2° | 120.1° |
| C2 | C1 | C6 | 120.3° | 119.8° |
| C2 | C3D | C3C | 119.6° | 119.8° |
| C2 | C3D | H3D | 120.9° | 120.1° |
| O1 | C1 | C6 | 119.4° | 120.2° |
| C1 | C6 | C7 | 120.4° | 119.6° |
| C6 | C7 | C8 | 112.3° | 109.4° |
| C6 | C7 | H72 | 111.2° | 109.5° |
| C6 | C7 | H71 | 111.2° | 109.5° |
| C3B | C3A | H3A | 119.8° | 120.0° |
| C3A | C3B | C3C | 120.0° | 120.4° |
| C3A | C3B | H3B | 119.1° | 119.8° |
| C3C | C3B | H3B | 120.9° | 119.8° |
| C3B | C3C | C3D | 119.6° | 120.5° |
| C3B | C3C | H3C | 121.1° | 119.8° |
| C3D | C3C | H3C | 119.3° | 119.7° |
| C3C | C3D | H3D | 119.5° | 120.2° |
| C8 | C7 | H72 | 111.2° | 109.4° |
| C8 | C7 | H71 | 111.2° | 109.4° |
| C7 | C8 | C9 | 127.5° | 120.0° |
| C7 | C8 | H8 | 119.5° | 120.0° |
| H72 | C7 | H71 | 99.2° | 109.5° |
| C9 | C8 | H8 | 112.9° | 120.0° |
| C8 | C9 | C10 | 125.4° | 120.0° |
| C8 | C9 | C11 | 121.5° | 120.0° |
| C10 | C9 | C11 | 113.1° | 120.0° |
| C9 | C10 | H103 | 125.4° | 109.5° |
| C9 | C10 | H102 | 106.5° | 109.5° |
| C9 | C10 | H101 | 106.6° | 109.5° |
| C9 | C11 | C12 | 110.3° | 109.5° |
| C9 | C11 | H112 | 111.9° | 109.5° |
| C9 | C11 | H111 | 111.9° | 109.5° |
| H103 | C10 | H102 | 106.7° | 109.4° |
| H103 | C10 | H101 | 106.6° | 109.5° |
| H102 | C10 | H101 | 103.0° | 109.5° |
| C12 | C11 | H112 | 111.9° | 109.4° |
| C12 | C11 | H111 | 111.9° | 109.5° |
| C11 | C12 | C13 | 111.7° | 109.5° |
| C11 | C12 | H121 | 111.4° | 109.4° |
| C11 | C12 | H122 | 111.4° | 109.5° |
| H112 | C11 | H111 | 98.6° | 109.5° |
| C13 | C12 | H121 | 111.3° | 109.5° |
| C13 | C12 | H122 | 111.4° | 109.4° |
| C12 | C13 | C14 | 127.8° | 120.0° |
| C12 | C13 | H13 | 116.6° | 120.0° |
| H121 | C12 | H122 | 99.0° | 109.5° |
| C14 | C13 | H13 | 115.6° | 120.0° |
| C13 | C14 | C15 | 125.0° | 120.0° |
| C13 | C14 | C16 | 123.2° | 120.0° |
| C15 | C14 | C16 | 111.7° | 120.0° |
| C14 | C15 | H153 | 125.0° | 109.5° |
| C14 | C15 | H152 | 106.7° | 109.4° |
| C14 | C15 | H151 | 106.7° | 109.5° |
| C14 | C16 | C17 | 114.0° | 109.5° |
| C14 | C16 | H162 | 110.6° | 109.5° |
| C14 | C16 | H161 | 110.5° | 109.5° |
| H153 | C15 | H152 | 106.7° | 109.5° |
| H153 | C15 | H151 | 106.8° | 109.4° |
| H152 | C15 | H151 | 102.9° | 109.5° |
| C17 | C16 | H162 | 110.5° | 109.5° |
| C17 | C16 | H161 | 110.5° | 109.5° |
| C16 | C17 | C18 | 109.2° | 109.5° |
| C16 | C17 | H172 | 112.3° | 109.5° |
| C16 | C17 | H171 | 112.3° | 109.5° |
| H162 | C16 | H161 | 99.7° | 109.4° |
| C18 | C17 | H172 | 112.3° | 109.5° |
| C18 | C17 | H171 | 112.3° | 109.5° |
| C17 | C18 | C19 | 121.9° | 119.9° |
| C17 | C18 | H18 | 121.1° | 120.0° |
| H172 | C17 | H171 | 98.1° | 109.4° |
| C19 | C18 | H18 | 117.0° | 120.1° |
| C18 | C19 | C20 | 122.1° | 120.1° |
| C18 | C19 | C21 | 121.8° | 120.0° |
| C20 | C19 | C21 | 116.0° | 120.0° |
| C19 | C20 | H203 | 122.1° | 109.5° |
| C19 | C20 | H202 | 107.7° | 109.5° |
| C19 | C20 | H201 | 107.7° | 109.5° |
| C19 | C21 | C22 | 102.9° | 109.5° |
| C19 | C21 | H212 | 114.7° | 109.4° |
| C19 | C21 | H211 | 114.7° | 109.5° |
| H203 | C20 | H202 | 107.7° | 109.5° |
| H203 | C20 | H201 | 107.7° | 109.4° |
| H202 | C20 | H201 | 102.1° | 109.5° |
| C22 | C21 | H212 | 114.7° | 109.5° |
| C22 | C21 | H211 | 114.7° | 109.5° |
| C21 | C22 | C23 | 110.6° | 109.5° |
| C21 | C22 | H222 | 111.8° | 109.5° |
| C21 | C22 | H221 | 111.8° | 109.5° |
| H212 | C21 | H211 | 95.8° | 109.5° |
| C23 | C22 | H222 | 111.8° | 109.4° |
| C23 | C22 | H221 | 111.8° | 109.4° |
| C22 | C23 | C24 | 132.8° | 120.0° |
| C22 | C23 | H23 | 116.0° | 120.0° |
| H222 | C22 | H221 | 98.5° | 109.5° |
| C24 | C23 | H23 | 111.3° | 120.0° |
| C23 | C24 | C25 | 123.9° | 120.0° |
| C23 | C24 | C26 | 118.7° | 120.0° |
| C25 | C24 | C26 | 117.3° | 120.0° |
| C24 | C25 | H253 | 124.0° | 109.5° |
| C24 | C25 | H252 | 107.1° | 109.5° |
| C24 | C25 | H251 | 107.1° | 109.5° |
| C24 | C26 | C27 | 114.2° | 109.4° |
| C24 | C26 | H262 | 110.4° | 109.4° |
| C24 | C26 | H261 | 110.4° | 109.5° |
| H253 | C25 | H252 | 107.1° | 109.4° |
| H253 | C25 | H251 | 107.0° | 109.5° |
| H252 | C25 | H251 | 102.6° | 109.4° |
| C27 | C26 | H262 | 110.5° | 109.5° |
| C27 | C26 | H261 | 110.5° | 109.5° |
| C26 | C27 | C28 | 108.8° | 109.4° |
| C26 | C27 | H272 | 112.4° | 109.5° |
| C26 | C27 | H271 | 112.5° | 109.5° |
| H262 | C26 | H261 | 99.8° | 109.5° |
| C28 | C27 | H272 | 112.5° | 109.5° |
| C28 | C27 | H271 | 112.5° | 109.5° |
| C27 | C28 | C29 | 128.3° | 120.0° |
| C27 | C28 | H28 | 119.6° | 120.0° |
| H272 | C27 | H271 | 98.0° | 109.5° |
| C29 | C28 | H28 | 112.1° | 120.0° |
| C28 | C29 | C30 | 122.7° | 120.0° |
| C28 | C29 | C31 | 124.1° | 120.0° |
| C30 | C29 | C31 | 113.2° | 120.0° |
| C29 | C30 | H303 | 122.8° | 109.5° |
| C29 | C30 | H302 | 107.5° | 109.5° |
| C29 | C30 | H301 | 107.5° | 109.5° |
| C29 | C31 | C32 | 106.9° | 109.4° |
| C29 | C31 | H312 | 113.2° | 109.5° |
| C29 | C31 | H311 | 113.2° | 109.5° |
| H303 | C30 | H302 | 107.4° | 109.4° |
| H303 | C30 | H301 | 107.5° | 109.4° |
| H302 | C30 | H301 | 102.3° | 109.4° |
| C32 | C31 | H312 | 113.1° | 109.5° |
| C32 | C31 | H311 | 113.2° | 109.5° |
| C31 | C32 | C33 | 111.3° | 109.5° |
| C31 | C32 | H321 | 111.6° | 109.5° |
| C31 | C32 | H322 | 111.6° | 109.5° |
| H312 | C31 | H311 | 97.3° | 109.5° |
| C33 | C32 | H321 | 111.6° | 109.5° |
| C33 | C32 | H322 | 111.6° | 109.5° |
| C32 | C33 | C34 | 127.2° | 120.0° |
| C32 | C33 | H33 | 117.8° | 120.0° |
| H321 | C32 | H322 | 98.8° | 109.5° |
| C34 | C33 | H33 | 115.0° | 120.0° |
| C33 | C34 | C35 | 124.2° | 120.0° |
| C33 | C34 | C36 | 124.3° | 120.0° |
| C35 | C34 | C36 | 111.5° | 120.0° |
| C34 | C35 | H353 | 124.3° | 109.5° |
| C34 | C35 | H352 | 107.0° | 109.5° |
| C34 | C35 | H351 | 107.0° | 109.4° |
| C34 | C36 | C37 | 105.0° | 109.5° |
| C34 | C36 | H362 | 113.9° | 109.4° |
| C34 | C36 | H361 | 113.8° | 109.5° |
| H353 | C35 | H352 | 106.9° | 109.5° |
| H353 | C35 | H351 | 107.0° | 109.4° |
| H352 | C35 | H351 | 102.6° | 109.5° |
| C37 | C36 | H362 | 113.9° | 109.5° |
| C37 | C36 | H361 | 113.9° | 109.5° |
| C36 | C37 | C38 | 105.1° | 109.5° |
| C36 | C37 | H372 | 113.8° | 109.4° |
| C36 | C37 | H371 | 113.8° | 109.5° |
| H362 | C36 | H361 | 96.6° | 109.4° |
| C38 | C37 | H372 | 113.9° | 109.5° |
| C38 | C37 | H371 | 113.9° | 109.5° |
| C37 | C38 | C39 | 140.3° | 120.0° |
| C37 | C38 | H38 | 111.7° | 120.0° |
| H372 | C37 | H371 | 96.6° | 109.5° |
| C39 | C38 | H38 | 108.1° | 120.0° |
| C38 | C39 | C40 | 122.0° | 120.0° |
| C38 | C39 | C41 | 127.1° | 120.0° |
| C40 | C39 | C41 | 110.9° | 120.1° |
| C39 | C40 | H403 | 122.0° | 109.5° |
| C39 | C40 | H402 | 107.7° | 109.5° |
| C39 | C40 | H401 | 107.7° | 109.4° |
| C39 | C41 | C42 | 106.7° | 109.4° |
| C39 | C41 | H412 | 113.2° | 109.5° |
| C39 | C41 | H411 | 113.2° | 109.5° |
| H403 | C40 | H402 | 107.8° | 109.4° |
| H403 | C40 | H401 | 107.8° | 109.4° |
| H402 | C40 | H401 | 102.1° | 109.5° |
| C42 | C41 | H412 | 113.2° | 109.5° |
| C42 | C41 | H411 | 113.2° | 109.4° |
| C41 | C42 | C43 | 113.8° | 109.5° |
| C41 | C42 | H422 | 110.6° | 109.5° |
| C41 | C42 | H421 | 110.7° | 109.4° |
| H412 | C41 | H411 | 97.2° | 109.6° |
| C43 | C42 | H422 | 110.6° | 109.5° |
| C43 | C42 | H421 | 110.6° | 109.5° |
| C42 | C43 | C44 | 134.8° | 120.0° |
| C42 | C43 | H43 | 115.6° | 120.0° |
| H422 | C42 | H421 | 99.7° | 109.5° |
| C44 | C43 | H43 | 109.6° | 120.0° |
| C43 | C44 | C45 | 125.0° | 120.0° |
| C43 | C44 | C46 | 120.2° | 120.0° |
| C45 | C44 | C46 | 114.7° | 120.0° |
| C44 | C45 | H453 | 125.1° | 109.5° |
| C44 | C45 | H452 | 106.7° | 109.5° |
| C44 | C45 | H451 | 106.7° | 109.4° |
| C44 | C46 | C47 | 117.9° | 109.4° |
| C44 | C46 | H462 | 109.2° | 109.5° |
| C44 | C46 | H461 | 109.2° | 109.5° |
| H453 | C45 | H452 | 106.7° | 109.5° |
| H453 | C45 | H451 | 106.7° | 109.5° |
| H452 | C45 | H451 | 102.9° | 109.4° |
| C47 | C46 | H462 | 109.2° | 109.4° |
| C47 | C46 | H461 | 109.2° | 109.5° |
| C46 | C47 | C48 | 115.6° | 109.5° |
| C46 | C47 | H472 | 110.0° | 109.5° |
| C46 | C47 | H471 | 110.0° | 109.5° |
| H462 | C46 | H461 | 100.9° | 109.5° |
| C48 | C47 | H472 | 110.0° | 109.4° |
| C48 | C47 | H471 | 109.9° | 109.5° |
| C47 | C48 | C49 | 131.0° | 120.0° |
| C47 | C48 | H48 | 117.9° | 120.0° |
| H472 | C47 | H471 | 100.3° | 109.5° |
| C49 | C48 | H48 | 111.1° | 120.0° |
| C48 | C49 | C50 | 127.0° | 120.0° |
| C48 | C49 | C51 | 123.9° | 120.0° |
| C50 | C49 | C51 | 109.0° | 120.0° |
| C49 | C50 | H503 | 127.0° | 109.5° |
| C49 | C50 | H502 | 106.0° | 109.5° |
| C49 | C50 | H501 | 106.1° | 109.5° |
| C49 | C51 | H513 | 123.9° | 109.5° |
| C49 | C51 | H512 | 107.1° | 109.5° |
| C49 | C51 | H511 | 107.1° | 109.5° |
| H503 | C50 | H502 | 106.0° | 109.5° |
| H503 | C50 | H501 | 106.1° | 109.5° |
| H502 | C50 | H501 | 103.4° | 109.5° |
| H513 | C51 | H512 | 107.1° | 109.5° |
| H513 | C51 | H511 | 107.0° | 109.5° |
| H512 | C51 | H511 | 102.6° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C5M | C5 | C4 | C6 | 179.2° | 179.9° |
| C5 | C5M | H5M3 | H5M2 | 125.3° | 120.0° |
| C5 | C5M | H5M3 | H5M1 | 125.3° | 120.0° |
| C5 | C5M | H5M2 | H5M1 | 115.2° | 120.1° |
| C5M | C5 | C4 | O4 | 3.2° | 0.1° |
| C5M | C5 | C4 | C3 | 178.8° | 180.0° |
| C5M | C5 | C6 | C1 | 178.0° | 179.7° |
| C5M | C5 | C6 | C7 | 4.8° | 0.0° |
| C4 | C5 | C5M | H5M3 | 180.0° | 0.1° |
| C4 | C5 | C5M | H5M2 | 54.8° | 120.1° |
| C4 | C5 | C5M | H5M1 | 54.7° | 119.9° |
| C5 | C4 | O4 | C3 | 178.1° | 179.9° |
| C5 | C4 | C3 | C2 | 0.6° | 0.1° |
| C5 | C4 | C3 | C3A | 177.5° | 180.0° |
| C4 | C5 | C6 | C1 | 1.2° | 0.2° |
| C4 | C5 | C6 | C7 | 176.0° | 179.9° |
| C6 | C5 | C5M | H5M3 | 0.8° | 180.0° |
| C6 | C5 | C5M | H5M2 | 124.5° | 60.0° |
| C6 | C5 | C5M | H5M1 | 126.0° | 60.0° |
| C6 | C5 | C4 | O4 | 177.6° | 180.0° |
| C6 | C5 | C4 | C3 | 0.5° | 0.1° |
| C5 | C6 | C1 | C2 | 0.9° | 0.5° |
| C5 | C6 | C1 | O1 | 176.9° | 179.7° |
| C5 | C6 | C1 | C7 | 177.2° | 179.7° |
| C5 | C6 | C7 | C8 | 82.0° | 90.0° |
| C5 | C6 | C7 | H72 | 152.7° | 29.9° |
| C5 | C6 | C7 | H71 | 43.2° | 150.0° |
| H5M3 | C5M | H5M2 | H5M1 | 115.1° | 120.0° |
| O4 | C4 | C3 | C2 | 178.7° | 180.0° |
| O4 | C4 | C3 | C3A | 0.6° | 0.1° |
| C4 | C3 | C2 | C3A | 178.1° | 179.9° |
| C4 | C3 | C2 | C1 | 0.9° | 0.2° |
| C4 | C3 | C2 | C3D | 179.1° | 180.0° |
| C4 | C3 | C3A | C3B | 178.6° | 180.0° |
| C4 | C3 | C3A | H3A | 1.4° | 0.1° |
| C3 | C2 | C1 | C3D | 178.2° | 179.7° |
| C3 | C2 | C1 | O1 | 177.9° | 179.7° |
| C3 | C2 | C1 | C6 | 0.1° | 0.5° |
| C2 | C3 | C3A | C3B | 0.5° | 0.0° |
| C2 | C3 | C3A | H3A | 179.5° | 180.0° |
| C3 | C2 | C3D | C3C | 0.6° | 0.1° |
| C3 | C2 | C3D | H3D | 179.4° | 180.0° |
| C3A | C3 | C2 | C1 | 177.2° | 179.7° |
| C3A | C3 | C2 | C3D | 1.0° | 0.0° |
| C3 | C3A | C3B | H3A | 180.0° | 180.0° |
| C3 | C3A | C3B | C3C | 0.3° | 0.1° |
| C3 | C3A | C3B | H3B | 179.7° | 180.0° |
| C2 | C1 | O1 | C6 | 177.8° | 179.8° |
| C2 | C1 | C6 | C7 | 176.3° | 179.8° |
| C1 | C2 | C3D | C3C | 177.6° | 179.7° |
| C1 | C2 | C3D | H3D | 2.4° | 0.3° |
| C3D | C2 | C1 | O1 | 3.9° | 0.0° |
| C3D | C2 | C1 | C6 | 178.4° | 179.7° |
| C2 | C3D | C3C | C3B | 0.2° | 0.1° |
| C2 | C3D | C3C | H3D | 180.0° | 179.9° |
| C2 | C3D | C3C | H3C | 179.7° | 180.0° |
| O1 | C1 | C6 | C7 | 5.9° | 0.0° |
| C1 | C6 | C7 | C8 | 95.2° | 90.3° |
| C1 | C6 | C7 | H72 | 30.1° | 149.8° |
| C1 | C6 | C7 | H71 | 139.6° | 29.7° |
| C6 | C7 | C8 | H72 | 125.3° | 120.0° |
| C6 | C7 | C8 | H71 | 125.2° | 120.0° |
| C6 | C7 | H72 | H71 | 117.1° | 120.1° |
| C6 | C7 | C8 | C9 | 117.0° | 125.2° |
| C6 | C7 | C8 | H8 | 63.0° | 54.8° |
| C3A | C3B | C3C | H3B | 180.0° | 179.9° |
| C3A | C3B | C3C | C3D | 0.7° | 0.1° |
| C3A | C3B | C3C | H3C | 179.3° | 180.0° |
| H3A | C3A | C3B | C3C | 179.7° | 180.0° |
| H3A | C3A | C3B | H3B | 0.3° | 0.0° |
| C3B | C3C | C3D | H3C | 180.0° | 179.9° |
| C3B | C3C | C3D | H3D | 179.8° | 180.0° |
| H3B | C3B | C3C | C3D | 179.3° | 180.0° |
| H3B | C3B | C3C | H3C | 0.7° | 0.1° |
| H3C | C3C | C3D | H3D | 0.3° | 0.1° |
| C8 | C7 | H72 | H71 | 117.0° | 119.9° |
| C7 | C8 | C9 | H8 | 180.0° | 180.0° |
| C7 | C8 | C9 | C10 | 1.8° | 5.3° |
| C7 | C8 | C9 | C11 | 178.2° | 174.8° |
| H72 | C7 | C8 | C9 | 8.3° | 114.8° |
| H72 | C7 | C8 | H8 | 171.6° | 65.2° |
| H71 | C7 | C8 | C9 | 117.8° | 5.3° |
| H71 | C7 | C8 | H8 | 62.2° | 174.8° |
| C8 | C9 | C10 | C11 | 179.9° | 180.0° |
| C8 | C9 | C10 | H103 | 180.0° | 175.0° |
| C8 | C9 | C10 | H102 | 54.7° | 65.1° |
| C8 | C9 | C10 | H101 | 54.7° | 54.9° |
| C8 | C9 | C11 | C12 | 115.7° | 90.0° |
| C8 | C9 | C11 | H112 | 9.5° | 29.9° |
| C8 | C9 | C11 | H111 | 119.0° | 150.0° |
| H8 | C8 | C9 | C10 | 178.3° | 174.7° |
| H8 | C8 | C9 | C11 | 1.8° | 5.2° |
| C9 | C10 | H103 | H102 | 125.3° | 119.9° |
| C9 | C10 | H103 | H101 | 125.2° | 120.1° |
| C9 | C10 | H102 | H101 | 111.9° | 120.1° |
| C10 | C9 | C11 | C12 | 64.2° | 90.1° |
| C10 | C9 | C11 | H112 | 170.5° | 150.0° |
| C10 | C9 | C11 | H111 | 61.0° | 29.9° |
| C11 | C9 | C10 | H103 | 0.0° | 5.0° |
| C11 | C9 | C10 | H102 | 125.4° | 114.9° |
| C11 | C9 | C10 | H101 | 125.2° | 125.0° |
| C9 | C11 | C12 | H112 | 125.2° | 119.9° |
| C9 | C11 | C12 | H111 | 125.3° | 120.1° |
| C9 | C11 | H112 | H111 | 117.8° | 120.1° |
| C9 | C11 | C12 | C13 | 59.4° | 179.9° |
| C9 | C11 | C12 | H121 | 175.4° | 60.1° |
| C9 | C11 | C12 | H122 | 65.9° | 60.0° |
| H103 | C10 | H102 | H101 | 112.0° | 120.0° |
| C12 | C11 | H112 | H111 | 117.8° | 120.0° |
| C11 | C12 | C13 | H121 | 125.2° | 120.0° |
| C11 | C12 | C13 | H122 | 125.3° | 120.0° |
| C11 | C12 | H121 | H122 | 117.4° | 120.0° |
| C11 | C12 | C13 | C14 | 132.7° | 123.5° |
| C11 | C12 | C13 | H13 | 47.3° | 56.6° |
| H112 | C11 | C12 | C13 | 65.9° | 60.0° |
| H112 | C11 | C12 | H121 | 59.3° | 180.0° |
| H112 | C11 | C12 | H122 | 168.9° | 60.0° |
| H111 | C11 | C12 | C13 | 175.4° | 60.0° |
| H111 | C11 | C12 | H121 | 50.2° | 60.0° |
| H111 | C11 | C12 | H122 | 59.4° | 180.0° |
| C13 | C12 | H121 | H122 | 117.3° | 120.0° |
| C12 | C13 | C14 | H13 | 180.0° | 179.9° |
| C12 | C13 | C14 | C15 | 0.0° | 5.5° |
| C12 | C13 | C14 | C16 | 179.4° | 174.5° |
| H121 | C12 | C13 | C14 | 7.5° | 116.5° |
| H121 | C12 | C13 | H13 | 172.5° | 63.4° |
| H122 | C12 | C13 | C14 | 102.0° | 3.5° |
| H122 | C12 | C13 | H13 | 78.0° | 176.6° |
| C13 | C14 | C15 | C16 | 179.4° | 180.0° |
| C13 | C14 | C15 | H153 | 180.0° | 55.0° |
| C13 | C14 | C15 | H152 | 54.8° | 175.0° |
| C13 | C14 | C15 | H151 | 54.7° | 65.0° |
| C13 | C14 | C16 | C17 | 115.3° | 90.0° |
| C13 | C14 | C16 | H162 | 10.0° | 30.0° |
| C13 | C14 | C16 | H161 | 119.4° | 150.0° |
| H13 | C13 | C14 | C15 | 180.0° | 174.4° |
| H13 | C13 | C14 | C16 | 0.6° | 5.5° |
| C14 | C15 | H153 | H152 | 125.2° | 120.0° |
| C14 | C15 | H153 | H151 | 125.3° | 120.0° |
| C14 | C15 | H152 | H151 | 112.1° | 120.0° |
| C15 | C14 | C16 | C17 | 64.1° | 90.0° |
| C15 | C14 | C16 | H162 | 170.6° | 150.0° |
| C15 | C14 | C16 | H161 | 61.1° | 30.0° |
| C16 | C14 | C15 | H153 | 0.6° | 125.0° |
| C16 | C14 | C15 | H152 | 125.8° | 5.0° |
| C16 | C14 | C15 | H151 | 124.7° | 115.0° |
| C14 | C16 | C17 | H162 | 125.3° | 120.0° |
| C14 | C16 | C17 | H161 | 125.3° | 120.0° |
| C14 | C16 | H162 | H161 | 116.4° | 120.0° |
| C14 | C16 | C17 | C18 | 72.2° | 180.0° |
| C14 | C16 | C17 | H172 | 162.6° | 60.0° |
| C14 | C16 | C17 | H171 | 53.2° | 60.0° |
| H153 | C15 | H152 | H151 | 112.2° | 120.0° |
| C17 | C16 | H162 | H161 | 116.4° | 120.0° |
| C16 | C17 | C18 | H172 | 125.2° | 120.0° |
| C16 | C17 | C18 | H171 | 125.3° | 120.1° |
| C16 | C17 | H172 | H171 | 118.2° | 120.0° |
| C16 | C17 | C18 | C19 | 152.2° | 123.5° |
| C16 | C17 | C18 | H18 | 27.9° | 56.5° |
| H162 | C16 | C17 | C18 | 53.1° | 60.0° |
| H162 | C16 | C17 | H172 | 72.1° | 180.0° |
| H162 | C16 | C17 | H171 | 178.5° | 60.0° |
| H161 | C16 | C17 | C18 | 162.6° | 59.9° |
| H161 | C16 | C17 | H172 | 37.3° | 60.0° |
| H161 | C16 | C17 | H171 | 72.1° | 180.0° |
| C18 | C17 | H172 | H171 | 118.2° | 120.0° |
| C17 | C18 | C19 | H18 | 179.9° | 180.0° |
| C17 | C18 | C19 | C20 | 0.9° | 5.5° |
| C17 | C18 | C19 | C21 | 179.3° | 174.5° |
| H172 | C17 | C18 | C19 | 82.6° | 116.5° |
| H172 | C17 | C18 | H18 | 97.4° | 63.5° |
| H171 | C17 | C18 | C19 | 26.9° | 3.4° |
| H171 | C17 | C18 | H18 | 153.2° | 176.6° |
| C18 | C19 | C20 | C21 | 178.4° | 180.0° |
| C18 | C19 | C20 | H203 | 180.0° | 55.0° |
| C18 | C19 | C20 | H202 | 54.7° | 175.0° |
| C18 | C19 | C20 | H201 | 54.7° | 65.0° |
| C18 | C19 | C21 | C22 | 111.8° | 90.0° |
| C18 | C19 | C21 | H212 | 122.9° | 30.0° |
| C18 | C19 | C21 | H211 | 13.5° | 150.0° |
| H18 | C18 | C19 | C20 | 179.0° | 174.5° |
| H18 | C18 | C19 | C21 | 0.7° | 5.5° |
| C19 | C20 | H203 | H202 | 125.2° | 120.0° |
| C19 | C20 | H203 | H201 | 125.3° | 120.0° |
| C19 | C20 | H202 | H201 | 113.3° | 120.0° |
| C20 | C19 | C21 | C22 | 66.6° | 90.0° |
| C20 | C19 | C21 | H212 | 58.6° | 150.0° |
| C20 | C19 | C21 | H211 | 168.1° | 30.1° |
| C21 | C19 | C20 | H203 | 1.5° | 125.1° |
| C21 | C19 | C20 | H202 | 123.7° | 5.0° |
| C21 | C19 | C20 | H201 | 126.9° | 115.0° |
| C19 | C21 | C22 | H212 | 125.2° | 120.0° |
| C19 | C21 | C22 | H211 | 125.2° | 120.0° |
| C19 | C21 | H212 | H211 | 120.6° | 120.0° |
| C19 | C21 | C22 | C23 | 177.8° | 180.0° |
| C19 | C21 | C22 | H222 | 52.5° | 60.0° |
| C19 | C21 | C22 | H221 | 56.9° | 60.1° |
| H203 | C20 | H202 | H201 | 113.3° | 120.0° |
| C22 | C21 | H212 | H211 | 120.6° | 120.1° |
| C21 | C22 | C23 | H222 | 125.3° | 120.0° |
| C21 | C22 | C23 | H221 | 125.3° | 120.0° |
| C21 | C22 | H222 | H221 | 117.7° | 120.0° |
| C21 | C22 | C23 | C24 | 154.0° | 125.5° |
| C21 | C22 | C23 | H23 | 26.0° | 54.4° |
| H212 | C21 | C22 | C23 | 57.0° | 60.0° |
| H212 | C21 | C22 | H222 | 177.7° | 180.0° |
| H212 | C21 | C22 | H221 | 68.3° | 59.9° |
| H211 | C21 | C22 | C23 | 52.5° | 60.0° |
| H211 | C21 | C22 | H222 | 72.7° | 60.0° |
| H211 | C21 | C22 | H221 | 177.8° | 179.9° |
| C23 | C22 | H222 | H221 | 117.7° | 119.9° |
| C22 | C23 | C24 | H23 | 180.0° | 179.9° |
| C22 | C23 | C24 | C25 | 1.6° | 5.5° |
| C22 | C23 | C24 | C26 | 179.7° | 174.5° |
| H222 | C22 | C23 | C24 | 28.8° | 114.4° |
| H222 | C22 | C23 | H23 | 151.2° | 65.6° |
| H221 | C22 | C23 | C24 | 80.7° | 5.5° |
| H221 | C22 | C23 | H23 | 99.3° | 174.4° |
| C23 | C24 | C25 | C26 | 178.8° | 180.0° |
| C23 | C24 | C25 | H253 | 180.0° | 54.9° |
| C23 | C24 | C25 | H252 | 54.8° | 174.9° |
| C23 | C24 | C25 | H251 | 54.7° | 65.1° |
| C23 | C24 | C26 | C27 | 122.0° | 90.0° |
| C23 | C24 | C26 | H262 | 3.3° | 30.0° |
| C23 | C24 | C26 | H261 | 112.8° | 150.0° |
| H23 | C23 | C24 | C25 | 178.4° | 174.5° |
| H23 | C23 | C24 | C26 | 0.3° | 5.5° |
| C24 | C25 | H253 | H252 | 125.3° | 120.0° |
| C24 | C25 | H253 | H251 | 125.3° | 120.1° |
| C24 | C25 | H252 | H251 | 112.6° | 120.0° |
| C25 | C24 | C26 | C27 | 59.2° | 90.0° |
| C25 | C24 | C26 | H262 | 175.5° | 150.0° |
| C25 | C24 | C26 | H261 | 66.0° | 30.0° |
| C26 | C24 | C25 | H253 | 1.3° | 125.1° |
| C26 | C24 | C25 | H252 | 124.0° | 5.1° |
| C26 | C24 | C25 | H251 | 126.5° | 114.9° |
| C24 | C26 | C27 | H262 | 125.3° | 119.9° |
| C24 | C26 | C27 | H261 | 125.2° | 120.0° |
| C24 | C26 | H262 | H261 | 116.3° | 120.0° |
| C24 | C26 | C27 | C28 | 172.3° | 180.0° |
| C24 | C26 | C27 | H272 | 47.0° | 60.1° |
| C24 | C26 | C27 | H271 | 62.4° | 60.0° |
| H253 | C25 | H252 | H251 | 112.5° | 120.0° |
| C27 | C26 | H262 | H261 | 116.4° | 120.1° |
| C26 | C27 | C28 | H272 | 125.2° | 120.0° |
| C26 | C27 | C28 | H271 | 125.3° | 120.0° |
| C26 | C27 | H272 | H271 | 118.4° | 120.1° |
| C26 | C27 | C28 | C29 | 134.3° | 122.6° |
| C26 | C27 | C28 | H28 | 45.7° | 57.4° |
| H262 | C26 | C27 | C28 | 62.5° | 60.1° |
| H262 | C26 | C27 | H272 | 172.2° | 180.0° |
| H262 | C26 | C27 | H271 | 62.8° | 59.9° |
| H261 | C26 | C27 | C28 | 47.1° | 60.0° |
| H261 | C26 | C27 | H272 | 78.2° | 59.9° |
| H261 | C26 | C27 | H271 | 172.4° | 180.0° |
| C28 | C27 | H272 | H271 | 118.4° | 120.0° |
| C27 | C28 | C29 | H28 | 180.0° | 180.0° |
| C27 | C28 | C29 | C30 | 1.0° | 5.5° |
| C27 | C28 | C29 | C31 | 178.3° | 174.5° |
| H272 | C27 | C28 | C29 | 9.1° | 117.4° |
| H272 | C27 | C28 | H28 | 170.9° | 62.6° |
| H271 | C27 | C28 | C29 | 100.4° | 2.6° |
| H271 | C27 | C28 | H28 | 79.6° | 177.4° |
| C28 | C29 | C30 | C31 | 179.4° | 180.0° |
| C28 | C29 | C30 | H303 | 180.0° | 64.7° |
| C28 | C29 | C30 | H302 | 54.7° | 175.3° |
| C28 | C29 | C30 | H301 | 54.7° | 55.2° |
| C28 | C29 | C31 | C32 | 110.0° | 90.0° |
| C28 | C29 | C31 | H312 | 124.7° | 30.0° |
| C28 | C29 | C31 | H311 | 15.2° | 150.0° |
| H28 | C28 | C29 | C30 | 179.0° | 174.5° |
| H28 | C28 | C29 | C31 | 1.7° | 5.5° |
| C29 | C30 | H303 | H302 | 125.3° | 120.1° |
| C29 | C30 | H303 | H301 | 125.3° | 120.0° |
| C29 | C30 | H302 | H301 | 113.1° | 120.1° |
| C30 | C29 | C31 | C32 | 69.3° | 90.0° |
| C30 | C29 | C31 | H312 | 55.9° | 150.0° |
| C30 | C29 | C31 | H311 | 165.4° | 30.0° |
| C31 | C29 | C30 | H303 | 0.6° | 115.2° |
| C31 | C29 | C30 | H302 | 124.6° | 4.8° |
| C31 | C29 | C30 | H301 | 125.9° | 124.8° |
| C29 | C31 | C32 | H312 | 125.2° | 120.0° |
| C29 | C31 | C32 | H311 | 125.3° | 120.0° |
| C29 | C31 | H312 | H311 | 119.1° | 120.0° |
| C29 | C31 | C32 | C33 | 179.2° | 180.0° |
| C29 | C31 | C32 | H321 | 53.9° | 60.0° |
| C29 | C31 | C32 | H322 | 55.5° | 60.0° |
| H303 | C30 | H302 | H301 | 113.0° | 119.9° |
| C32 | C31 | H312 | H311 | 119.1° | 120.0° |
| C31 | C32 | C33 | H321 | 125.3° | 120.0° |
| C31 | C32 | C33 | H322 | 125.3° | 120.0° |
| C31 | C32 | H321 | H322 | 117.4° | 120.0° |
| C31 | C32 | C33 | C34 | 149.4° | 122.9° |
| C31 | C32 | C33 | H33 | 30.6° | 57.1° |
| H312 | C31 | C32 | C33 | 55.5° | 60.0° |
| H312 | C31 | C32 | H321 | 179.2° | 180.0° |
| H312 | C31 | C32 | H322 | 69.7° | 60.0° |
| H311 | C31 | C32 | C33 | 54.0° | 60.0° |
| H311 | C31 | C32 | H321 | 71.3° | 60.0° |
| H311 | C31 | C32 | H322 | 179.2° | 180.0° |
| C33 | C32 | H321 | H322 | 117.4° | 120.0° |
| C32 | C33 | C34 | H33 | 180.0° | 180.0° |
| C32 | C33 | C34 | C35 | 2.0° | 5.1° |
| C32 | C33 | C34 | C36 | 180.0° | 174.9° |
| H321 | C32 | C33 | C34 | 85.3° | 117.2° |
| H321 | C32 | C33 | H33 | 94.7° | 62.9° |
| H322 | C32 | C33 | C34 | 24.1° | 2.8° |
| H322 | C32 | C33 | H33 | 155.9° | 177.1° |
| C33 | C34 | C35 | C36 | 178.2° | 180.0° |
| C33 | C34 | C35 | H353 | 180.0° | 62.7° |
| C33 | C34 | C35 | H352 | 54.7° | 177.2° |
| C33 | C34 | C35 | H351 | 54.7° | 57.2° |
| C33 | C34 | C36 | C37 | 81.8° | 90.0° |
| C33 | C34 | C36 | H362 | 43.5° | 30.0° |
| C33 | C34 | C36 | H361 | 153.0° | 150.0° |
| H33 | C33 | C34 | C35 | 178.0° | 174.9° |
| H33 | C33 | C34 | C36 | 0.0° | 5.1° |
| C34 | C35 | H353 | H352 | 125.3° | 120.0° |
| C34 | C35 | H353 | H351 | 125.3° | 119.9° |
| C34 | C35 | H352 | H351 | 112.5° | 119.9° |
| C35 | C34 | C36 | C37 | 96.4° | 90.1° |
| C35 | C34 | C36 | H362 | 138.3° | 149.9° |
| C35 | C34 | C36 | H361 | 28.8° | 30.0° |
| C36 | C34 | C35 | H353 | 1.8° | 117.2° |
| C36 | C34 | C35 | H352 | 127.0° | 2.8° |
| C36 | C34 | C35 | H351 | 123.5° | 122.8° |
| C34 | C36 | C37 | H362 | 125.3° | 120.0° |
| C34 | C36 | C37 | H361 | 125.2° | 120.0° |
| C34 | C36 | H362 | H361 | 119.8° | 120.0° |
| C34 | C36 | C37 | C38 | 88.8° | 180.0° |
| C34 | C36 | C37 | H372 | 145.9° | 60.1° |
| C34 | C36 | C37 | H371 | 36.5° | 60.0° |
| H353 | C35 | H352 | H351 | 112.4° | 120.0° |
| C37 | C36 | H362 | H361 | 119.8° | 120.1° |
| C36 | C37 | C38 | H372 | 125.3° | 119.9° |
| C36 | C37 | C38 | H371 | 125.3° | 120.1° |
| C36 | C37 | H372 | H371 | 119.7° | 120.0° |
| C36 | C37 | C38 | C39 | 144.4° | 121.8° |
| C36 | C37 | C38 | H38 | 35.6° | 58.1° |
| H362 | C36 | C37 | C38 | 36.5° | 60.0° |
| H362 | C36 | C37 | H372 | 88.8° | 180.0° |
| H362 | C36 | C37 | H371 | 161.8° | 60.0° |
| H361 | C36 | C37 | C38 | 146.0° | 60.0° |
| H361 | C36 | C37 | H372 | 20.7° | 60.0° |
| H361 | C36 | C37 | H371 | 88.7° | 180.0° |
| C38 | C37 | H372 | H371 | 119.8° | 120.0° |
| C37 | C38 | C39 | H38 | 180.0° | 179.9° |
| C37 | C38 | C39 | C40 | 179.7° | 173.1° |
| C37 | C38 | C39 | C41 | 0.5° | 6.9° |
| H372 | C37 | C38 | C39 | 90.3° | 118.3° |
| H372 | C37 | C38 | H38 | 89.7° | 61.8° |
| H371 | C37 | C38 | C39 | 19.2° | 1.7° |
| H371 | C37 | C38 | H38 | 160.8° | 178.2° |
| C38 | C39 | C40 | C41 | 179.3° | 179.9° |
| C38 | C39 | C40 | H403 | 180.0° | 0.0° |
| C38 | C39 | C40 | H402 | 54.7° | 120.0° |
| C38 | C39 | C40 | H401 | 54.7° | 120.0° |
| C38 | C39 | C41 | C42 | 114.2° | 94.7° |
| C38 | C39 | C41 | H412 | 120.5° | 25.2° |
| C38 | C39 | C41 | H411 | 11.0° | 145.4° |
| H38 | C38 | C39 | C40 | 0.3° | 6.9° |
| H38 | C38 | C39 | C41 | 179.5° | 173.0° |
| C39 | C40 | H403 | H402 | 125.2° | 120.0° |
| C39 | C40 | H403 | H401 | 125.3° | 120.0° |
| C39 | C40 | H402 | H401 | 113.3° | 120.0° |
| C40 | C39 | C41 | C42 | 65.0° | 85.3° |
| C40 | C39 | C41 | H412 | 60.2° | 154.7° |
| C40 | C39 | C41 | H411 | 169.7° | 34.6° |
| C41 | C39 | C40 | H403 | 0.6° | 180.0° |
| C41 | C39 | C40 | H402 | 124.6° | 60.0° |
| C41 | C39 | C40 | H401 | 125.9° | 60.1° |
| C39 | C41 | C42 | H412 | 125.3° | 120.0° |
| C39 | C41 | C42 | H411 | 125.2° | 119.9° |
| C39 | C41 | H412 | H411 | 119.2° | 120.1° |
| C39 | C41 | C42 | C43 | 164.2° | 180.0° |
| C39 | C41 | C42 | H422 | 38.9° | 59.9° |
| C39 | C41 | C42 | H421 | 70.6° | 60.0° |
| H403 | C40 | H402 | H401 | 113.4° | 120.0° |
| C42 | C41 | H412 | H411 | 119.1° | 119.9° |
| C41 | C42 | C43 | H422 | 125.2° | 120.0° |
| C41 | C42 | C43 | H421 | 125.3° | 119.9° |
| C41 | C42 | H422 | H421 | 116.5° | 119.9° |
| C41 | C42 | C43 | C44 | 162.1° | 125.6° |
| C41 | C42 | C43 | H43 | 17.9° | 54.5° |
| H412 | C41 | C42 | C43 | 70.6° | 60.0° |
| H412 | C41 | C42 | H422 | 164.2° | 180.0° |
| H412 | C41 | C42 | H421 | 54.7° | 60.0° |
| H411 | C41 | C42 | C43 | 38.9° | 60.0° |
| H411 | C41 | C42 | H422 | 86.3° | 60.0° |
| H411 | C41 | C42 | H421 | 164.2° | 180.0° |
| C43 | C42 | H422 | H421 | 116.5° | 120.1° |
| C42 | C43 | C44 | H43 | 180.0° | 180.0° |
| C42 | C43 | C44 | C45 | 1.3° | 5.5° |
| C42 | C43 | C44 | C46 | 179.9° | 174.5° |
| H422 | C42 | C43 | C44 | 36.9° | 114.4° |
| H422 | C42 | C43 | H43 | 143.1° | 65.5° |
| H421 | C42 | C43 | C44 | 72.6° | 5.6° |
| H421 | C42 | C43 | H43 | 107.4° | 174.4° |
| C43 | C44 | C45 | C46 | 178.7° | 180.0° |
| C43 | C44 | C45 | H453 | 180.0° | 174.9° |
| C43 | C44 | C45 | H452 | 54.8° | 65.0° |
| C43 | C44 | C45 | H451 | 54.7° | 54.9° |
| C43 | C44 | C46 | C47 | 36.6° | 90.0° |
| C43 | C44 | C46 | H462 | 88.7° | 30.0° |
| C43 | C44 | C46 | H461 | 161.9° | 150.0° |
| H43 | C43 | C44 | C45 | 178.7° | 174.5° |
| H43 | C43 | C44 | C46 | 0.1° | 5.5° |
| C44 | C45 | H453 | H452 | 125.2° | 120.0° |
| C44 | C45 | H453 | H451 | 125.3° | 120.0° |
| C44 | C45 | H452 | H451 | 112.2° | 119.9° |
| C45 | C44 | C46 | C47 | 144.6° | 90.0° |
| C45 | C44 | C46 | H462 | 90.1° | 150.1° |
| C45 | C44 | C46 | H461 | 19.3° | 30.0° |
| C46 | C44 | C45 | H453 | 1.3° | 5.1° |
| C46 | C44 | C45 | H452 | 123.9° | 115.0° |
| C46 | C44 | C45 | H451 | 126.6° | 125.1° |
| C44 | C46 | C47 | H462 | 125.3° | 120.0° |
| C44 | C46 | C47 | H461 | 125.3° | 120.0° |
| C44 | C46 | H462 | H461 | 114.9° | 120.0° |
| C44 | C46 | C47 | C48 | 168.1° | 180.0° |
| C44 | C46 | C47 | H472 | 42.8° | 60.0° |
| C44 | C46 | C47 | H471 | 66.7° | 60.0° |
| H453 | C45 | H452 | H451 | 112.1° | 120.0° |
| C47 | C46 | H462 | H461 | 114.9° | 120.0° |
| C46 | C47 | C48 | H472 | 125.2° | 120.0° |
| C46 | C47 | C48 | H471 | 125.2° | 120.0° |
| C46 | C47 | H472 | H471 | 115.8° | 120.1° |
| C46 | C47 | C48 | C49 | 55.3° | 125.6° |
| C46 | C47 | C48 | H48 | 124.6° | 54.4° |
| H462 | C46 | C47 | C48 | 66.6° | 60.0° |
| H462 | C46 | C47 | H472 | 168.1° | 180.0° |
| H462 | C46 | C47 | H471 | 58.6° | 59.9° |
| H461 | C46 | C47 | C48 | 42.8° | 60.0° |
| H461 | C46 | C47 | H472 | 82.4° | 59.9° |
| H461 | C46 | C47 | H471 | 168.0° | 180.0° |
| C48 | C47 | H472 | H471 | 115.8° | 119.9° |
| C47 | C48 | C49 | H48 | 180.0° | 180.0° |
| C47 | C48 | C49 | C50 | 1.3° | 174.5° |
| C47 | C48 | C49 | C51 | 178.8° | 5.5° |
| H472 | C47 | C48 | C49 | 69.9° | 114.5° |
| H472 | C47 | C48 | H48 | 110.1° | 65.6° |
| H471 | C47 | C48 | C49 | 179.5° | 5.5° |
| H471 | C47 | C48 | H48 | 0.6° | 174.5° |
| C48 | C49 | C50 | C51 | 179.9° | 180.0° |
| C48 | C49 | C50 | H503 | 180.0° | 180.0° |
| C48 | C49 | C50 | H502 | 54.8° | 60.0° |
| C48 | C49 | C50 | H501 | 54.7° | 60.0° |
| C48 | C49 | C51 | H513 | 180.0° | 54.9° |
| C48 | C49 | C51 | H512 | 54.7° | 174.9° |
| C48 | C49 | C51 | H511 | 54.7° | 65.1° |
| H48 | C48 | C49 | C50 | 178.7° | 5.5° |
| H48 | C48 | C49 | C51 | 1.2° | 174.5° |
| C49 | C50 | H503 | H502 | 125.2° | 120.0° |
| C49 | C50 | H503 | H501 | 125.3° | 120.0° |
| C49 | C50 | H502 | H501 | 111.4° | 120.0° |
| C50 | C49 | C51 | H513 | 0.0° | 125.1° |
| C50 | C49 | C51 | H512 | 125.4° | 5.0° |
| C50 | C49 | C51 | H511 | 125.2° | 114.9° |
| C51 | C49 | C50 | H503 | 0.0° | 0.0° |
| C51 | C49 | C50 | H502 | 125.1° | 120.0° |
| C51 | C49 | C50 | H501 | 125.4° | 120.0° |
| C49 | C51 | H513 | H512 | 125.3° | 120.0° |
| C49 | C51 | H513 | H511 | 125.2° | 120.0° |
| C49 | C51 | H512 | H511 | 112.6° | 120.0° |
| H503 | C50 | H502 | H501 | 111.4° | 120.0° |
| H513 | C51 | H512 | H511 | 112.5° | 120.0° |
