UQ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.48Å | 1.48Å | |
| C1 | C6 | sing | 1.50Å | 1.47Å | |
| C1 | O1 | doub | 1.23Å | 1.21Å | |
| C2 | C3 | doub | 1.33Å | 1.31Å | |
| C2 | O2 | sing | 1.38Å | 1.38Å | |
| C3 | C4 | sing | 1.48Å | 1.44Å | |
| C3 | O3 | sing | 1.38Å | 1.32Å | |
| C4 | C5 | sing | 1.49Å | 1.42Å | |
| C4 | O4 | doub | 1.23Å | 1.21Å | |
| C5 | C6 | doub | 1.35Å | 1.33Å | |
| C5 | CM5 | sing | 1.51Å | 1.47Å | |
| C6 | C7 | sing | 1.49Å | 1.55Å | |
| CM5 | HM51 | sing | 1.09Å | 1.10Å | |
| CM5 | HM52 | sing | 1.09Å | 1.10Å | |
| CM5 | HM53 | sing | 1.09Å | 1.10Å | |
| CM3 | O3 | sing | 1.41Å | 1.44Å | |
| CM3 | HM31 | sing | 1.09Å | 1.10Å | |
| CM3 | HM32 | sing | 1.09Å | 1.10Å | |
| CM3 | HM33 | sing | 1.09Å | 1.10Å | |
| CM2 | O2 | sing | 1.41Å | 1.46Å | |
| CM2 | HM21 | sing | 1.09Å | 1.10Å | |
| CM2 | HM22 | sing | 1.09Å | 1.10Å | |
| CM2 | HM23 | sing | 1.09Å | 1.10Å | |
| C7 | C8 | sing | 1.50Å | 1.57Å | |
| C7 | H71 | sing | 1.09Å | 1.10Å | |
| C7 | H72 | sing | 1.09Å | 1.10Å | |
| C8 | C9 | doub | 1.35Å | 1.34Å | |
| C8 | H8 | sing | 1.09Å | 1.08Å | |
| C9 | C10 | sing | 1.51Å | 1.54Å | |
| C9 | C11 | sing | 1.51Å | 1.57Å | |
| C10 | H101 | sing | 1.09Å | 1.10Å | |
| C10 | H102 | sing | 1.09Å | 1.10Å | |
| C10 | H103 | sing | 1.09Å | 1.10Å | |
| C11 | C12 | sing | 1.53Å | 1.58Å | |
| C11 | H111 | sing | 1.10Å | 1.10Å | |
| C11 | H112 | sing | 1.09Å | 1.10Å | |
| C12 | C13 | sing | 1.50Å | 1.84Å | |
| C12 | H121 | sing | 1.09Å | 1.10Å | |
| C12 | H122 | sing | 1.10Å | 1.10Å | |
| C13 | C14 | doub | 1.35Å | 1.33Å | |
| C13 | H13 | sing | 1.09Å | 1.08Å | |
| C14 | C15 | sing | 1.50Å | 1.54Å | |
| C14 | C16 | sing | 1.52Å | 1.57Å | |
| C15 | H151 | sing | 1.09Å | 1.10Å | |
| C15 | H152 | sing | 1.09Å | 1.10Å | |
| C15 | H153 | sing | 1.09Å | 1.10Å | |
| C16 | C17 | sing | 1.53Å | 1.58Å | |
| C16 | H161 | sing | 1.10Å | 1.10Å | |
| C16 | H162 | sing | 1.10Å | 1.10Å | |
| C17 | C18 | sing | 1.50Å | 1.55Å | |
| C17 | H171 | sing | 1.10Å | 1.10Å | |
| C17 | H172 | sing | 1.09Å | 1.10Å | |
| C18 | C19 | doub | 1.35Å | 1.28Å | |
| C18 | H18 | sing | 1.09Å | 1.08Å | |
| C19 | C20 | sing | 1.50Å | 1.54Å | |
| C19 | C21 | sing | 1.52Å | 1.54Å | |
| C20 | H201 | sing | 1.09Å | 1.10Å | |
| C20 | H202 | sing | 1.10Å | 1.10Å | |
| C20 | H203 | sing | 1.09Å | 1.10Å | |
| C21 | C22 | sing | 1.54Å | 1.55Å | |
| C21 | H211 | sing | 1.10Å | 1.10Å | |
| C21 | H212 | sing | 1.10Å | 1.10Å | |
| C22 | C23 | sing | 1.50Å | 1.55Å | |
| C22 | H221 | sing | 1.10Å | 1.10Å | |
| C22 | H222 | sing | 1.09Å | 1.10Å | |
| C23 | C24 | doub | 1.35Å | 1.30Å | |
| C23 | H23 | sing | 1.09Å | 1.08Å | |
| C24 | C25 | sing | 1.50Å | 1.54Å | |
| C24 | C26 | sing | 1.52Å | 1.54Å | |
| C25 | H251 | sing | 1.09Å | 1.10Å | |
| C25 | H252 | sing | 1.10Å | 1.10Å | |
| C25 | H253 | sing | 1.09Å | 1.10Å | |
| C26 | C27 | sing | 1.53Å | 1.56Å | |
| C26 | H261 | sing | 1.10Å | 1.10Å | |
| C26 | H262 | sing | 1.10Å | 1.10Å | |
| C27 | C28 | sing | 1.50Å | 1.58Å | |
| C27 | H271 | sing | 1.09Å | 1.10Å | |
| C27 | H272 | sing | 1.10Å | 1.10Å | |
| C28 | C29 | doub | 1.35Å | 1.33Å | |
| C28 | H28 | sing | 1.09Å | 1.08Å | |
| C29 | C30 | sing | 1.50Å | 1.57Å | |
| C29 | C31 | sing | 1.52Å | 1.56Å | |
| C30 | H301 | sing | 1.09Å | 1.10Å | |
| C30 | H302 | sing | 1.09Å | 1.10Å | |
| C30 | H303 | sing | 1.09Å | 1.10Å | |
| C31 | C32 | sing | 1.53Å | 1.56Å | |
| C31 | H311 | sing | 1.10Å | 1.10Å | |
| C31 | H312 | sing | 1.10Å | 1.10Å | |
| C32 | C33 | sing | 1.50Å | 1.55Å | |
| C32 | H321 | sing | 1.09Å | 1.10Å | |
| C32 | H322 | sing | 1.09Å | 1.10Å | |
| C33 | C34 | doub | 1.35Å | 1.33Å | |
| C33 | H33 | sing | 1.09Å | 1.08Å | |
| C34 | C35 | sing | 1.51Å | 1.56Å | |
| C34 | C36 | sing | 1.51Å | 1.55Å | |
| C35 | H351 | sing | 1.09Å | 1.10Å | |
| C35 | H352 | sing | 1.10Å | 1.10Å | |
| C35 | H353 | sing | 1.09Å | 1.10Å | |
| C36 | C37 | sing | 1.53Å | 1.55Å | |
| C36 | H361 | sing | 1.10Å | 1.10Å | |
| C36 | H362 | sing | 1.10Å | 1.10Å | |
| C37 | C38 | sing | 1.50Å | 1.56Å | |
| C37 | H371 | sing | 1.10Å | 1.10Å | |
| C37 | H372 | sing | 1.09Å | 1.10Å | |
| C38 | C39 | doub | 1.35Å | 1.33Å | |
| C38 | H38 | sing | 1.09Å | 1.08Å | |
| C39 | C40 | sing | 1.50Å | 1.54Å | |
| C39 | C41 | sing | 1.52Å | 1.53Å | |
| C40 | H401 | sing | 1.09Å | 1.10Å | |
| C40 | H402 | sing | 1.10Å | 1.10Å | |
| C40 | H403 | sing | 1.09Å | 1.10Å | |
| C41 | C42 | sing | 1.54Å | 54.68Å | |
| C41 | H411 | sing | 1.10Å | 1.10Å | |
| C41 | H412 | sing | 1.10Å | 1.10Å | |
| C42 | C43 | sing | 1.50Å | 0.00Å | |
| C42 | H421 | sing | 1.09Å | 0.00Å | |
| C42 | H422 | sing | 1.10Å | 0.00Å | |
| C43 | C44 | doub | 1.35Å | 0.00Å | |
| C43 | H43 | sing | 1.09Å | 0.00Å | |
| C44 | C45 | sing | 1.51Å | 0.00Å | |
| C44 | C46 | sing | 1.51Å | 0.00Å | |
| C45 | H451 | sing | 1.09Å | 0.00Å | |
| C45 | H452 | sing | 1.10Å | 0.00Å | |
| C45 | H453 | sing | 1.10Å | 0.00Å | |
| C46 | C47 | sing | 1.53Å | 0.00Å | |
| C46 | H461 | sing | 1.10Å | 0.00Å | |
| C46 | H462 | sing | 1.09Å | 0.00Å | |
| C47 | C48 | sing | 1.50Å | 0.00Å | |
| C47 | H471 | sing | 1.10Å | 0.00Å | |
| C47 | H472 | sing | 1.09Å | 0.00Å | |
| C48 | C49 | doub | 1.35Å | 0.00Å | |
| C48 | H48 | sing | 1.09Å | 0.00Å | |
| C49 | C50 | sing | 1.50Å | 0.00Å | |
| C49 | C51 | sing | 1.52Å | 0.00Å | |
| C50 | H501 | sing | 1.09Å | 0.00Å | |
| C50 | H502 | sing | 1.10Å | 0.00Å | |
| C50 | H503 | sing | 1.09Å | 0.00Å | |
| C51 | C52 | sing | 1.54Å | 0.00Å | |
| C51 | H511 | sing | 1.10Å | 0.00Å | |
| C51 | H512 | sing | 1.10Å | 0.00Å | |
| C52 | C53 | sing | 1.51Å | 0.00Å | |
| C52 | H521 | sing | 1.10Å | 0.00Å | |
| C52 | H522 | sing | 1.09Å | 0.00Å | |
| C53 | C54 | doub | 1.35Å | 0.00Å | |
| C53 | H53 | sing | 1.09Å | 0.00Å | |
| C54 | C55 | sing | 1.50Å | 0.00Å | |
| C54 | C56 | sing | 1.51Å | 0.00Å | |
| C55 | H551 | sing | 1.09Å | 0.00Å | |
| C55 | H552 | sing | 1.10Å | 0.00Å | |
| C55 | H553 | sing | 1.09Å | 0.00Å | |
| C56 | H561 | sing | 1.10Å | 0.00Å | |
| C56 | H562 | sing | 1.10Å | 0.00Å | |
| C56 | H563 | sing | 1.09Å | 0.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C6 | 123.7° | 118.4° |
| C2 | C1 | O1 | 120.4° | 120.1° |
| C1 | C2 | C3 | 115.8° | 121.1° |
| C1 | C2 | O2 | 125.1° | 118.0° |
| C6 | C1 | O1 | 115.9° | 121.5° |
| C1 | C6 | C5 | 116.1° | 120.5° |
| C1 | C6 | C7 | 118.9° | 114.3° |
| C3 | C2 | O2 | 119.1° | 120.9° |
| C2 | C3 | C4 | 121.3° | 121.1° |
| C2 | C3 | O3 | 119.8° | 122.4° |
| C2 | O2 | CM2 | 116.4° | 112.6° |
| C4 | C3 | O3 | 118.8° | 116.4° |
| C3 | C4 | C5 | 122.3° | 118.4° |
| C3 | C4 | O4 | 120.9° | 120.2° |
| C3 | O3 | CM3 | 115.6° | 112.6° |
| C5 | C4 | O4 | 116.8° | 121.4° |
| C4 | C5 | C6 | 120.8° | 120.5° |
| C4 | C5 | CM5 | 112.1° | 114.3° |
| C6 | C5 | CM5 | 127.0° | 125.2° |
| C5 | C6 | C7 | 125.0° | 125.2° |
| C5 | CM5 | HM51 | 109.5° | 109.2° |
| C5 | CM5 | HM52 | 109.5° | 109.2° |
| C5 | CM5 | HM53 | 109.5° | 109.2° |
| C6 | C7 | C8 | 112.3° | 112.1° |
| C6 | C7 | H71 | 108.5° | 107.8° |
| C6 | C7 | H72 | 107.9° | 108.4° |
| HM51 | CM5 | HM52 | 109.5° | 109.9° |
| HM51 | CM5 | HM53 | 109.4° | 109.8° |
| HM52 | CM5 | HM53 | 109.4° | 109.4° |
| O3 | CM3 | HM31 | 109.5° | 109.5° |
| O3 | CM3 | HM32 | 109.5° | 109.5° |
| O3 | CM3 | HM33 | 109.4° | 109.0° |
| HM31 | CM3 | HM32 | 109.4° | 110.1° |
| HM31 | CM3 | HM33 | 109.5° | 109.3° |
| HM32 | CM3 | HM33 | 109.5° | 109.4° |
| O2 | CM2 | HM21 | 109.5° | 109.6° |
| O2 | CM2 | HM22 | 109.5° | 109.6° |
| O2 | CM2 | HM23 | 109.5° | 109.0° |
| HM21 | CM2 | HM22 | 109.5° | 110.1° |
| HM21 | CM2 | HM23 | 109.4° | 109.3° |
| HM22 | CM2 | HM23 | 109.5° | 109.3° |
| C8 | C7 | H71 | 108.5° | 112.1° |
| C8 | C7 | H72 | 107.9° | 108.7° |
| C7 | C8 | C9 | 135.1° | 127.9° |
| C7 | C8 | H8 | 112.5° | 114.6° |
| H71 | C7 | H72 | 111.7° | 107.6° |
| C9 | C8 | H8 | 112.5° | 117.4° |
| C8 | C9 | C10 | 114.2° | 119.9° |
| C8 | C9 | C11 | 130.9° | 124.9° |
| C10 | C9 | C11 | 114.9° | 115.2° |
| C9 | C10 | H101 | 109.5° | 112.4° |
| C9 | C10 | H102 | 109.4° | 110.8° |
| C9 | C10 | H103 | 109.5° | 110.3° |
| C9 | C11 | C12 | 115.1° | 114.3° |
| C9 | C11 | H111 | 107.6° | 107.7° |
| C9 | C11 | H112 | 106.4° | 111.8° |
| H101 | C10 | H102 | 109.5° | 107.3° |
| H101 | C10 | H103 | 109.5° | 107.4° |
| H102 | C10 | H103 | 109.5° | 108.4° |
| C12 | C11 | H111 | 107.7° | 108.3° |
| C12 | C11 | H112 | 106.4° | 109.6° |
| C11 | C12 | C13 | 129.1° | 113.4° |
| C11 | C12 | H121 | 103.4° | 110.7° |
| C11 | C12 | H122 | 98.8° | 107.8° |
| H111 | C11 | H112 | 113.9° | 104.7° |
| C13 | C12 | H121 | 103.4° | 112.5° |
| C13 | C12 | H122 | 98.8° | 106.9° |
| C12 | C13 | C14 | 116.6° | 128.4° |
| C12 | C13 | H13 | 121.7° | 113.7° |
| H121 | C12 | H122 | 126.5° | 105.0° |
| C14 | C13 | H13 | 121.7° | 117.8° |
| C13 | C14 | C15 | 118.9° | 124.9° |
| C13 | C14 | C16 | 123.5° | 119.8° |
| C15 | C14 | C16 | 117.6° | 115.2° |
| C14 | C15 | H151 | 109.5° | 110.4° |
| C14 | C15 | H152 | 109.5° | 113.7° |
| C14 | C15 | H153 | 109.5° | 110.1° |
| C14 | C16 | C17 | 113.2° | 113.4° |
| C14 | C16 | H161 | 108.2° | 110.1° |
| C14 | C16 | H162 | 107.4° | 108.5° |
| H151 | C15 | H152 | 109.5° | 106.8° |
| H151 | C15 | H153 | 109.4° | 108.3° |
| H152 | C15 | H153 | 109.5° | 107.2° |
| C17 | C16 | H161 | 108.2° | 109.0° |
| C17 | C16 | H162 | 107.4° | 110.0° |
| C16 | C17 | C18 | 107.5° | 110.7° |
| C16 | C17 | H171 | 110.2° | 110.2° |
| C16 | C17 | H172 | 110.6° | 110.2° |
| H161 | C16 | H162 | 112.5° | 105.5° |
| C18 | C17 | H171 | 110.1° | 107.6° |
| C18 | C17 | H172 | 110.6° | 111.9° |
| C17 | C18 | C19 | 125.1° | 127.7° |
| C17 | C18 | H18 | 117.4° | 114.2° |
| H171 | C17 | H172 | 108.0° | 106.1° |
| C19 | C18 | H18 | 117.5° | 118.2° |
| C18 | C19 | C20 | 119.1° | 124.1° |
| C18 | C19 | C21 | 120.7° | 120.1° |
| C20 | C19 | C21 | 120.2° | 115.8° |
| C19 | C20 | H201 | 109.5° | 113.0° |
| C19 | C20 | H202 | 109.5° | 110.3° |
| C19 | C20 | H203 | 109.5° | 110.3° |
| C19 | C21 | C22 | 101.9° | 115.2° |
| C19 | C21 | H211 | 112.1° | 107.8° |
| C19 | C21 | H212 | 113.6° | 110.8° |
| H201 | C20 | H202 | 109.5° | 106.3° |
| H201 | C20 | H203 | 109.4° | 108.3° |
| H202 | C20 | H203 | 109.5° | 108.4° |
| C22 | C21 | H211 | 112.1° | 108.2° |
| C22 | C21 | H212 | 113.7° | 108.9° |
| C21 | C22 | C23 | 118.5° | 113.4° |
| C21 | C22 | H221 | 106.6° | 107.8° |
| C21 | C22 | H222 | 104.5° | 109.2° |
| H211 | C21 | H212 | 103.8° | 105.4° |
| C23 | C22 | H221 | 106.6° | 107.5° |
| C23 | C22 | H222 | 104.5° | 111.9° |
| C22 | C23 | C24 | 131.2° | 127.0° |
| C22 | C23 | H23 | 114.4° | 115.0° |
| H221 | C22 | H222 | 116.8° | 106.8° |
| C24 | C23 | H23 | 114.4° | 118.0° |
| C23 | C24 | C25 | 124.8° | 124.1° |
| C23 | C24 | C26 | 115.6° | 120.3° |
| C25 | C24 | C26 | 119.5° | 115.5° |
| C24 | C25 | H251 | 109.5° | 113.1° |
| C24 | C25 | H252 | 109.5° | 110.3° |
| C24 | C25 | H253 | 109.4° | 110.5° |
| C24 | C26 | C27 | 117.6° | 114.5° |
| C24 | C26 | H261 | 106.8° | 108.2° |
| C24 | C26 | H262 | 104.9° | 110.7° |
| H251 | C25 | H252 | 109.4° | 106.3° |
| H251 | C25 | H253 | 109.5° | 108.2° |
| H252 | C25 | H253 | 109.5° | 108.4° |
| C27 | C26 | H261 | 106.9° | 108.6° |
| C27 | C26 | H262 | 104.9° | 109.1° |
| C26 | C27 | C28 | 111.3° | 112.5° |
| C26 | C27 | H271 | 108.8° | 110.2° |
| C26 | C27 | H272 | 108.4° | 108.1° |
| H261 | C26 | H262 | 116.1° | 105.4° |
| C28 | C27 | H271 | 108.9° | 112.8° |
| C28 | C27 | H272 | 108.4° | 107.2° |
| C27 | C28 | C29 | 124.9° | 128.4° |
| C27 | C28 | H28 | 117.5° | 113.8° |
| H271 | C27 | H272 | 110.9° | 105.5° |
| C29 | C28 | H28 | 117.5° | 117.8° |
| C28 | C29 | C30 | 121.0° | 125.3° |
| C28 | C29 | C31 | 121.7° | 119.6° |
| C30 | C29 | C31 | 117.2° | 115.1° |
| C29 | C30 | H301 | 109.5° | 110.0° |
| C29 | C30 | H302 | 109.4° | 113.7° |
| C29 | C30 | H303 | 109.5° | 110.6° |
| C29 | C31 | C32 | 107.6° | 112.5° |
| C29 | C31 | H311 | 110.1° | 108.8° |
| C29 | C31 | H312 | 110.6° | 110.2° |
| H301 | C30 | H302 | 109.5° | 107.0° |
| H301 | C30 | H303 | 109.5° | 108.3° |
| H302 | C30 | H303 | 109.5° | 107.1° |
| C32 | C31 | H311 | 110.1° | 110.2° |
| C32 | C31 | H312 | 110.5° | 109.1° |
| C31 | C32 | C33 | 112.9° | 111.0° |
| C31 | C32 | H321 | 108.4° | 110.2° |
| C31 | C32 | H322 | 107.6° | 110.2° |
| H311 | C31 | H312 | 108.0° | 105.7° |
| C33 | C32 | H321 | 108.3° | 112.0° |
| C33 | C32 | H322 | 107.6° | 107.8° |
| C32 | C33 | C34 | 122.9° | 127.3° |
| C32 | C33 | H33 | 118.6° | 114.4° |
| H321 | C32 | H322 | 112.2° | 105.5° |
| C34 | C33 | H33 | 118.6° | 118.2° |
| C33 | C34 | C35 | 124.9° | 120.2° |
| C33 | C34 | C36 | 116.0° | 124.4° |
| C35 | C34 | C36 | 119.0° | 115.3° |
| C34 | C35 | H351 | 109.5° | 110.3° |
| C34 | C35 | H352 | 109.5° | 112.2° |
| C34 | C35 | H353 | 109.5° | 110.8° |
| C34 | C36 | C37 | 108.6° | 113.9° |
| C34 | C36 | H361 | 109.8° | 111.6° |
| C34 | C36 | H362 | 110.0° | 108.1° |
| H351 | C35 | H352 | 109.5° | 107.5° |
| H351 | C35 | H353 | 109.4° | 108.6° |
| H352 | C35 | H353 | 109.5° | 107.4° |
| C37 | C36 | H361 | 109.8° | 109.5° |
| C37 | C36 | H362 | 110.0° | 108.5° |
| C36 | C37 | C38 | 111.7° | 113.2° |
| C36 | C37 | H371 | 108.8° | 108.0° |
| C36 | C37 | H372 | 108.2° | 109.9° |
| H361 | C36 | H362 | 108.7° | 104.6° |
| C38 | C37 | H371 | 108.7° | 107.2° |
| C38 | C37 | H372 | 108.2° | 112.7° |
| C37 | C38 | C39 | 124.6° | 128.5° |
| C37 | C38 | H38 | 117.7° | 113.7° |
| H371 | C37 | H372 | 111.2° | 105.4° |
| C39 | C38 | H38 | 117.7° | 117.8° |
| C38 | C39 | C40 | 122.5° | 124.8° |
| C38 | C39 | C41 | 121.3° | 119.6° |
| C40 | C39 | C41 | 116.2° | 115.5° |
| C39 | C40 | H401 | 109.5° | 113.9° |
| C39 | C40 | H402 | 109.4° | 110.0° |
| C39 | C40 | H403 | 109.4° | 110.3° |
| C39 | C41 | C42 | 47.7° | 115.9° |
| C39 | C41 | H411 | 138.5° | 107.4° |
| C39 | C41 | H412 | 142.7° | 110.8° |
| H401 | C40 | H402 | 109.5° | 106.8° |
| H401 | C40 | H403 | 109.5° | 107.2° |
| H402 | C40 | H403 | 109.5° | 108.4° |
| C42 | C41 | H411 | 138.5° | 108.0° |
| C42 | C41 | H412 | 142.7° | 108.9° |
| C41 | C42 | C43 | 90.0° | 113.6° |
| C41 | C42 | H421 | 90.0° | 109.6° |
| C41 | C42 | H422 | 90.0° | 107.6° |
| H411 | C41 | H412 | 64.6° | 105.5° |
| C43 | C42 | H421 | 90.0° | 112.9° |
| C43 | C42 | H422 | 90.0° | 106.9° |
| C42 | C43 | C44 | 90.0° | 128.2° |
| C42 | C43 | H43 | 90.0° | 114.1° |
| H421 | C42 | H422 | 90.0° | 105.7° |
| C44 | C43 | H43 | 90.0° | 117.6° |
| C43 | C44 | C45 | 90.0° | 119.9° |
| C43 | C44 | C46 | 90.0° | 125.0° |
| C45 | C44 | C46 | 90.0° | 115.0° |
| C44 | C45 | H451 | 90.0° | 110.7° |
| C44 | C45 | H452 | 90.0° | 112.3° |
| C44 | C45 | H453 | 90.0° | 110.3° |
| C44 | C46 | C47 | 90.0° | 112.5° |
| C44 | C46 | H461 | 90.0° | 108.5° |
| C44 | C46 | H462 | 90.0° | 111.5° |
| H451 | C45 | H452 | 90.0° | 107.7° |
| H451 | C45 | H453 | 90.0° | 108.6° |
| H452 | C45 | H453 | 90.0° | 107.2° |
| C47 | C46 | H461 | 90.0° | 109.7° |
| C47 | C46 | H462 | 90.0° | 109.3° |
| C46 | C47 | C48 | 90.0° | 110.6° |
| C46 | C47 | H471 | 90.0° | 109.8° |
| C46 | C47 | H472 | 90.0° | 109.5° |
| H461 | C46 | H462 | 90.0° | 105.1° |
| C48 | C47 | H471 | 90.0° | 107.7° |
| C48 | C47 | H472 | 90.0° | 112.4° |
| C47 | C48 | C49 | 90.0° | 128.4° |
| C47 | C48 | H48 | 90.0° | 114.0° |
| H471 | C47 | H472 | 90.0° | 106.8° |
| C49 | C48 | H48 | 90.0° | 117.6° |
| C48 | C49 | C50 | 90.0° | 125.1° |
| C48 | C49 | C51 | 90.0° | 119.7° |
| C50 | C49 | C51 | 90.0° | 115.1° |
| C49 | C50 | H501 | 90.0° | 110.7° |
| C49 | C50 | H502 | 90.0° | 110.1° |
| C49 | C50 | H503 | 90.0° | 113.5° |
| C49 | C51 | C52 | 90.0° | 113.3° |
| C49 | C51 | H511 | 90.0° | 108.8° |
| C49 | C51 | H512 | 90.0° | 110.5° |
| H501 | C50 | H502 | 90.0° | 108.2° |
| H501 | C50 | H503 | 90.0° | 107.5° |
| H502 | C50 | H503 | 90.0° | 106.6° |
| C52 | C51 | H511 | 90.0° | 109.1° |
| C52 | C51 | H512 | 90.0° | 109.4° |
| C51 | C52 | C53 | 90.0° | 112.3° |
| C51 | C52 | H521 | 90.0° | 108.4° |
| C51 | C52 | H522 | 90.0° | 110.5° |
| H511 | C51 | H512 | 90.0° | 105.3° |
| C53 | C52 | H521 | 90.0° | 107.4° |
| C53 | C52 | H522 | 90.0° | 112.4° |
| C52 | C53 | C54 | 90.0° | 128.2° |
| C52 | C53 | H53 | 90.0° | 113.9° |
| H521 | C52 | H522 | 90.0° | 105.5° |
| C54 | C53 | H53 | 90.0° | 117.9° |
| C53 | C54 | C55 | 90.0° | 125.5° |
| C53 | C54 | C56 | 90.0° | 120.3° |
| C55 | C54 | C56 | 90.0° | 114.2° |
| C54 | C55 | H551 | 90.0° | 113.7° |
| C54 | C55 | H552 | 90.0° | 110.0° |
| C54 | C55 | H553 | 90.0° | 110.0° |
| C54 | C56 | H561 | 90.0° | 110.2° |
| C54 | C56 | H562 | 90.0° | 110.2° |
| C54 | C56 | H563 | 90.0° | 112.5° |
| H551 | C55 | H552 | 90.0° | 107.5° |
| H551 | C55 | H553 | 90.0° | 107.2° |
| H552 | C55 | H553 | 90.0° | 108.3° |
| H561 | C56 | H562 | 90.0° | 108.5° |
| H561 | C56 | H563 | 90.0° | 107.6° |
| H562 | C56 | H563 | 90.0° | 107.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C6 | O1 | 180.0° | 179.8° |
| C1 | C2 | C3 | O2 | 178.5° | 180.0° |
| C1 | C2 | C3 | C4 | 0.2° | 0.1° |
| C1 | C2 | C3 | O3 | 178.0° | 180.0° |
| C2 | C1 | C6 | C5 | 0.0° | 1.1° |
| C2 | C1 | C6 | C7 | 178.7° | 178.3° |
| C1 | C2 | O2 | CM2 | 119.8° | 90.0° |
| C6 | C1 | C2 | C3 | 0.1° | 0.3° |
| C6 | C1 | C2 | O2 | 178.3° | 179.7° |
| C1 | C6 | C5 | C4 | 0.4° | 1.4° |
| C1 | C6 | C5 | C7 | 178.7° | 179.3° |
| C1 | C6 | C5 | CM5 | 178.9° | 177.9° |
| C1 | C6 | C7 | C8 | 87.4° | 85.4° |
| C1 | C6 | C7 | H71 | 32.6° | 150.8° |
| C1 | C6 | C7 | H72 | 153.9° | 34.6° |
| O1 | C1 | C2 | C3 | 180.0° | 179.5° |
| O1 | C1 | C2 | O2 | 1.7° | 0.5° |
| O1 | C1 | C6 | C5 | 179.9° | 178.8° |
| O1 | C1 | C6 | C7 | 1.3° | 1.9° |
| C2 | C3 | C4 | O3 | 178.2° | 179.9° |
| C2 | C3 | C4 | C5 | 0.6° | 0.2° |
| C2 | C3 | C4 | O4 | 179.7° | 179.5° |
| C2 | C3 | O3 | CM3 | 114.2° | 90.0° |
| C3 | C2 | O2 | CM2 | 58.5° | 90.0° |
| O2 | C2 | C3 | C4 | 178.7° | 179.9° |
| O2 | C2 | C3 | O3 | 0.5° | 0.0° |
| C2 | O2 | CM2 | HM21 | 118.3° | 119.0° |
| C2 | O2 | CM2 | HM22 | 121.7° | 120.2° |
| C2 | O2 | CM2 | HM23 | 1.7° | 0.6° |
| C3 | C4 | C5 | O4 | 179.8° | 179.7° |
| C3 | C4 | C5 | C6 | 0.7° | 1.0° |
| C3 | C4 | C5 | CM5 | 179.4° | 178.4° |
| C4 | C3 | O3 | CM3 | 67.6° | 90.0° |
| O3 | C3 | C4 | C5 | 177.6° | 179.7° |
| O3 | C3 | C4 | O4 | 2.1° | 0.6° |
| C3 | O3 | CM3 | HM31 | 99.8° | 150.6° |
| C3 | O3 | CM3 | HM32 | 140.3° | 88.6° |
| C3 | O3 | CM3 | HM33 | 20.2° | 31.0° |
| C4 | C5 | C6 | CM5 | 178.5° | 179.3° |
| C4 | C5 | C6 | C7 | 178.3° | 177.9° |
| C4 | C5 | CM5 | HM51 | 2.8° | 9.6° |
| C4 | C5 | CM5 | HM52 | 122.8° | 129.8° |
| C4 | C5 | CM5 | HM53 | 117.2° | 110.5° |
| O4 | C4 | C5 | C6 | 179.6° | 178.8° |
| O4 | C4 | C5 | CM5 | 0.8° | 1.9° |
| C6 | C5 | CM5 | HM51 | 175.9° | 169.7° |
| C6 | C5 | CM5 | HM52 | 55.8° | 49.5° |
| C6 | C5 | CM5 | HM53 | 64.1° | 70.1° |
| C5 | C6 | C7 | C8 | 91.3° | 94.0° |
| C5 | C6 | C7 | H71 | 148.7° | 29.9° |
| C5 | C6 | C7 | H72 | 27.5° | 146.1° |
| CM5 | C5 | C6 | C7 | 0.3° | 2.8° |
| C5 | CM5 | HM51 | HM52 | 120.0° | 119.8° |
| C5 | CM5 | HM51 | HM53 | 120.0° | 119.8° |
| C5 | CM5 | HM52 | HM53 | 120.0° | 119.5° |
| C6 | C7 | C8 | H71 | 120.0° | 121.4° |
| C6 | C7 | C8 | H72 | 118.8° | 119.8° |
| C6 | C7 | H71 | H72 | 118.8° | 116.7° |
| C6 | C7 | C8 | C9 | 143.0° | 121.4° |
| C6 | C7 | C8 | H8 | 37.0° | 60.1° |
| HM51 | CM5 | HM52 | HM53 | 120.0° | 120.7° |
| O3 | CM3 | HM31 | HM32 | 120.0° | 120.5° |
| O3 | CM3 | HM31 | HM33 | 120.0° | 119.3° |
| O3 | CM3 | HM32 | HM33 | 120.0° | 119.4° |
| HM31 | CM3 | HM32 | HM33 | 120.0° | 120.2° |
| O2 | CM2 | HM21 | HM22 | 120.0° | 120.5° |
| O2 | CM2 | HM21 | HM23 | 120.0° | 119.4° |
| O2 | CM2 | HM22 | HM23 | 120.0° | 119.4° |
| HM21 | CM2 | HM22 | HM23 | 120.0° | 120.1° |
| C8 | C7 | H71 | H72 | 118.8° | 119.4° |
| C7 | C8 | C9 | H8 | 180.0° | 178.5° |
| C7 | C8 | C9 | C10 | 165.6° | 178.5° |
| C7 | C8 | C9 | C11 | 13.7° | 2.0° |
| H71 | C7 | C8 | C9 | 97.1° | 0.0° |
| H71 | C7 | C8 | H8 | 82.9° | 178.5° |
| H72 | C7 | C8 | C9 | 24.2° | 118.8° |
| H72 | C7 | C8 | H8 | 155.8° | 59.7° |
| C8 | C9 | C10 | C11 | 179.4° | 176.8° |
| C8 | C9 | C10 | H101 | 111.4° | 0.2° |
| C8 | C9 | C10 | H102 | 8.6° | 119.8° |
| C8 | C9 | C10 | H103 | 128.6° | 120.1° |
| C8 | C9 | C11 | C12 | 138.5° | 90.3° |
| C8 | C9 | C11 | H111 | 101.5° | 30.0° |
| C8 | C9 | C11 | H112 | 21.0° | 144.5° |
| H8 | C8 | C9 | C10 | 14.4° | 0.0° |
| H8 | C8 | C9 | C11 | 166.3° | 176.4° |
| C9 | C10 | H101 | H102 | 120.0° | 122.1° |
| C9 | C10 | H101 | H103 | 120.0° | 121.5° |
| C9 | C10 | H102 | H103 | 120.0° | 121.2° |
| C10 | C9 | C11 | C12 | 42.2° | 86.2° |
| C10 | C9 | C11 | H111 | 77.8° | 153.4° |
| C10 | C9 | C11 | H112 | 159.7° | 39.0° |
| C11 | C9 | C10 | H101 | 69.2° | 176.5° |
| C11 | C9 | C10 | H102 | 170.8° | 63.4° |
| C11 | C9 | C10 | H103 | 50.8° | 56.7° |
| C9 | C11 | C12 | H111 | 120.0° | 120.1° |
| C9 | C11 | C12 | H112 | 117.5° | 126.4° |
| C9 | C11 | H111 | H112 | 117.7° | 119.1° |
| C9 | C11 | C12 | C13 | 138.3° | 179.9° |
| C9 | C11 | C12 | H121 | 18.3° | 52.3° |
| C9 | C11 | C12 | H122 | 112.7° | 62.0° |
| H101 | C10 | H102 | H103 | 120.0° | 115.7° |
| C12 | C11 | H111 | H112 | 117.7° | 116.8° |
| C11 | C12 | C13 | H121 | 120.0° | 126.6° |
| C11 | C12 | C13 | H122 | 109.0° | 118.7° |
| C11 | C12 | H121 | H122 | 111.9° | 116.1° |
| C11 | C12 | C13 | C14 | 156.3° | 96.6° |
| C11 | C12 | C13 | H13 | 23.8° | 86.1° |
| H111 | C11 | C12 | C13 | 101.7° | 60.0° |
| H111 | C11 | C12 | H121 | 138.3° | 172.4° |
| H111 | C11 | C12 | H122 | 7.3° | 58.1° |
| H112 | C11 | C12 | C13 | 20.8° | 53.6° |
| H112 | C11 | C12 | H121 | 99.2° | 74.0° |
| H112 | C11 | C12 | H122 | 129.8° | 171.7° |
| C13 | C12 | H121 | H122 | 111.8° | 115.9° |
| C12 | C13 | C14 | H13 | 180.0° | 177.3° |
| C12 | C13 | C14 | C15 | 30.9° | 180.0° |
| C12 | C13 | C14 | C16 | 147.6° | 2.7° |
| H121 | C12 | C13 | C14 | 83.7° | 30.0° |
| H121 | C12 | C13 | H13 | 96.2° | 147.3° |
| H122 | C12 | C13 | C14 | 47.3° | 144.8° |
| H122 | C12 | C13 | H13 | 132.8° | 32.6° |
| C13 | C14 | C15 | C16 | 178.7° | 177.4° |
| C13 | C14 | C15 | H151 | 125.0° | 118.8° |
| C13 | C14 | C15 | H152 | 5.0° | 1.2° |
| C13 | C14 | C15 | H153 | 115.0° | 121.6° |
| C13 | C14 | C16 | C17 | 101.4° | 92.4° |
| C13 | C14 | C16 | H161 | 18.6° | 30.1° |
| C13 | C14 | C16 | H162 | 140.2° | 145.1° |
| H13 | C13 | C14 | C15 | 149.0° | 2.7° |
| H13 | C13 | C14 | C16 | 32.4° | 179.9° |
| C14 | C15 | H151 | H152 | 120.0° | 124.1° |
| C14 | C15 | H151 | H153 | 120.0° | 120.7° |
| C14 | C15 | H152 | H153 | 120.0° | 122.0° |
| C15 | C14 | C16 | C17 | 77.2° | 90.0° |
| C15 | C14 | C16 | H161 | 162.9° | 147.5° |
| C15 | C14 | C16 | H162 | 41.2° | 32.5° |
| C16 | C14 | C15 | H151 | 56.3° | 63.7° |
| C16 | C14 | C15 | H152 | 176.4° | 176.2° |
| C16 | C14 | C15 | H153 | 63.6° | 55.9° |
| C14 | C16 | C17 | H161 | 120.0° | 123.1° |
| C14 | C16 | C17 | H162 | 118.4° | 121.6° |
| C14 | C16 | H161 | H162 | 118.5° | 116.9° |
| C14 | C16 | C17 | C18 | 88.2° | 176.8° |
| C14 | C16 | C17 | H171 | 151.8° | 57.9° |
| C14 | C16 | C17 | H172 | 32.6° | 58.9° |
| H151 | C15 | H152 | H153 | 120.0° | 116.0° |
| C17 | C16 | H161 | H162 | 118.5° | 118.1° |
| C16 | C17 | C18 | H171 | 120.0° | 120.5° |
| C16 | C17 | C18 | H172 | 120.8° | 123.3° |
| C16 | C17 | H171 | H172 | 120.8° | 119.3° |
| C16 | C17 | C18 | C19 | 153.1° | 119.5° |
| C16 | C17 | C18 | H18 | 26.9° | 60.3° |
| H161 | C16 | C17 | C18 | 31.8° | 60.0° |
| H161 | C16 | C17 | H171 | 88.2° | 178.9° |
| H161 | C16 | C17 | H172 | 152.6° | 64.2° |
| H162 | C16 | C17 | C18 | 153.5° | 55.2° |
| H162 | C16 | C17 | H171 | 33.5° | 63.7° |
| H162 | C16 | C17 | H172 | 85.8° | 179.5° |
| C18 | C17 | H171 | H172 | 120.8° | 119.9° |
| C17 | C18 | C19 | H18 | 180.0° | 179.8° |
| C17 | C18 | C19 | C20 | 179.6° | 180.0° |
| C17 | C18 | C19 | C21 | 2.6° | 3.7° |
| H171 | C17 | C18 | C19 | 86.9° | 120.0° |
| H171 | C17 | C18 | H18 | 93.1° | 60.2° |
| H172 | C17 | C18 | C19 | 32.3° | 3.8° |
| H172 | C17 | C18 | H18 | 147.7° | 176.4° |
| C18 | C19 | C20 | C21 | 177.8° | 176.4° |
| C18 | C19 | C20 | H201 | 138.2° | 17.7° |
| C18 | C19 | C20 | H202 | 18.2° | 136.5° |
| C18 | C19 | C20 | H203 | 101.8° | 103.7° |
| C18 | C19 | C21 | C22 | 139.4° | 89.0° |
| C18 | C19 | C21 | H211 | 19.4° | 150.0° |
| C18 | C19 | C21 | H212 | 97.9° | 35.2° |
| H18 | C18 | C19 | C20 | 0.4° | 0.2° |
| H18 | C18 | C19 | C21 | 177.4° | 176.4° |
| C19 | C20 | H201 | H202 | 120.0° | 121.1° |
| C19 | C20 | H201 | H203 | 120.0° | 122.6° |
| C19 | C20 | H202 | H203 | 120.0° | 120.9° |
| C20 | C19 | C21 | C22 | 38.4° | 94.4° |
| C20 | C19 | C21 | H211 | 158.4° | 26.5° |
| C20 | C19 | C21 | H212 | 84.3° | 141.4° |
| C21 | C19 | C20 | H201 | 43.9° | 158.7° |
| C21 | C19 | C20 | H202 | 164.0° | 39.9° |
| C21 | C19 | C20 | H203 | 76.0° | 79.9° |
| C19 | C21 | C22 | H211 | 120.0° | 120.7° |
| C19 | C21 | C22 | H212 | 122.7° | 125.2° |
| C19 | C21 | H211 | H212 | 123.0° | 118.4° |
| C19 | C21 | C22 | C23 | 139.4° | 179.3° |
| C19 | C21 | C22 | H221 | 19.4° | 61.9° |
| C19 | C21 | C22 | H222 | 104.9° | 53.8° |
| H201 | C20 | H202 | H203 | 120.0° | 116.3° |
| C22 | C21 | H211 | H212 | 123.1° | 116.4° |
| C21 | C22 | C23 | H221 | 120.0° | 119.0° |
| C21 | C22 | C23 | H222 | 115.7° | 124.1° |
| C21 | C22 | H221 | H222 | 116.3° | 117.2° |
| C21 | C22 | C23 | C24 | 3.9° | 121.0° |
| C21 | C22 | C23 | H23 | 176.1° | 60.4° |
| H211 | C21 | C22 | C23 | 100.6° | 60.0° |
| H211 | C21 | C22 | H221 | 139.4° | 58.9° |
| H211 | C21 | C22 | H222 | 15.1° | 174.5° |
| H212 | C21 | C22 | C23 | 16.7° | 54.1° |
| H212 | C21 | C22 | H221 | 103.3° | 172.9° |
| H212 | C21 | C22 | H222 | 132.5° | 71.4° |
| C23 | C22 | H221 | H222 | 116.3° | 120.2° |
| C22 | C23 | C24 | H23 | 180.0° | 178.5° |
| C22 | C23 | C24 | C25 | 0.3° | 1.8° |
| C22 | C23 | C24 | C26 | 178.6° | 178.4° |
| H221 | C22 | C23 | C24 | 123.9° | 120.0° |
| H221 | C22 | C23 | H23 | 56.1° | 58.6° |
| H222 | C22 | C23 | C24 | 111.8° | 3.0° |
| H222 | C22 | C23 | H23 | 68.2° | 175.5° |
| C23 | C24 | C25 | C26 | 178.9° | 176.7° |
| C23 | C24 | C25 | H251 | 24.1° | 17.2° |
| C23 | C24 | C25 | H252 | 95.9° | 136.0° |
| C23 | C24 | C25 | H253 | 144.1° | 104.2° |
| C23 | C24 | C26 | C27 | 52.7° | 118.7° |
| C23 | C24 | C26 | H261 | 67.4° | 120.0° |
| C23 | C24 | C26 | H262 | 168.8° | 5.0° |
| H23 | C23 | C24 | C25 | 179.7° | 176.7° |
| H23 | C23 | C24 | C26 | 1.4° | 0.2° |
| C24 | C25 | H251 | H252 | 120.0° | 121.1° |
| C24 | C25 | H251 | H253 | 120.0° | 122.7° |
| C24 | C25 | H252 | H253 | 120.0° | 121.1° |
| C25 | C24 | C26 | C27 | 128.4° | 64.4° |
| C25 | C24 | C26 | H261 | 111.6° | 56.8° |
| C25 | C24 | C26 | H262 | 12.2° | 171.8° |
| C26 | C24 | C25 | H251 | 154.8° | 159.5° |
| C26 | C24 | C25 | H252 | 85.3° | 40.7° |
| C26 | C24 | C25 | H253 | 34.8° | 79.1° |
| C24 | C26 | C27 | H261 | 120.0° | 121.0° |
| C24 | C26 | C27 | H262 | 116.2° | 124.6° |
| C24 | C26 | H261 | H262 | 116.6° | 118.4° |
| C24 | C26 | C27 | C28 | 116.3° | 59.1° |
| C24 | C26 | C27 | H271 | 3.7° | 67.8° |
| C24 | C26 | C27 | H272 | 124.5° | 177.3° |
| H251 | C25 | H252 | H253 | 120.0° | 116.0° |
| C27 | C26 | H261 | H262 | 116.6° | 116.8° |
| C26 | C27 | C28 | H271 | 120.0° | 125.5° |
| C26 | C27 | C28 | H272 | 119.2° | 118.8° |
| C26 | C27 | H271 | H272 | 119.2° | 116.5° |
| C26 | C27 | C28 | C29 | 158.5° | 125.5° |
| C26 | C27 | C28 | H28 | 21.5° | 55.9° |
| H261 | C26 | C27 | C28 | 123.7° | 180.0° |
| H261 | C26 | C27 | H271 | 116.3° | 53.1° |
| H261 | C26 | C27 | H272 | 4.5° | 61.7° |
| H262 | C26 | C27 | C28 | 0.2° | 65.6° |
| H262 | C26 | C27 | H271 | 119.9° | 167.5° |
| H262 | C26 | C27 | H272 | 119.4° | 52.7° |
| C28 | C27 | H271 | H272 | 119.2° | 116.8° |
| C27 | C28 | C29 | H28 | 180.0° | 178.5° |
| C27 | C28 | C29 | C30 | 0.7° | 1.8° |
| C27 | C28 | C29 | C31 | 179.9° | 179.7° |
| H271 | C27 | C28 | C29 | 38.5° | 0.0° |
| H271 | C27 | C28 | H28 | 141.5° | 178.6° |
| H272 | C27 | C28 | C29 | 82.3° | 115.7° |
| H272 | C27 | C28 | H28 | 97.7° | 62.9° |
| C28 | C29 | C30 | C31 | 179.4° | 178.6° |
| C28 | C29 | C30 | H301 | 156.2° | 121.7° |
| C28 | C29 | C30 | H302 | 83.8° | 1.8° |
| C28 | C29 | C30 | H303 | 36.1° | 118.7° |
| C28 | C29 | C31 | C32 | 163.1° | 92.5° |
| C28 | C29 | C31 | H311 | 43.2° | 30.0° |
| C28 | C29 | C31 | H312 | 76.1° | 145.5° |
| H28 | C28 | C29 | C30 | 179.3° | 179.7° |
| H28 | C28 | C29 | C31 | 0.1° | 1.1° |
| C29 | C30 | H301 | H302 | 120.0° | 123.9° |
| C29 | C30 | H301 | H303 | 120.0° | 120.9° |
| C29 | C30 | H302 | H303 | 120.0° | 122.4° |
| C30 | C29 | C31 | C32 | 16.3° | 86.2° |
| C30 | C29 | C31 | H311 | 136.2° | 151.3° |
| C30 | C29 | C31 | H312 | 104.5° | 35.8° |
| C31 | C29 | C30 | H301 | 23.3° | 56.9° |
| C31 | C29 | C30 | H302 | 96.7° | 176.8° |
| C31 | C29 | C30 | H303 | 143.3° | 62.7° |
| C29 | C31 | C32 | H311 | 120.0° | 121.7° |
| C29 | C31 | C32 | H312 | 120.8° | 122.7° |
| C29 | C31 | H311 | H312 | 120.8° | 118.4° |
| C29 | C31 | C32 | C33 | 137.7° | 178.3° |
| C29 | C31 | C32 | H321 | 102.3° | 53.7° |
| C29 | C31 | C32 | H322 | 19.2° | 62.4° |
| H301 | C30 | H302 | H303 | 120.0° | 116.0° |
| C32 | C31 | H311 | H312 | 120.7° | 117.8° |
| C31 | C32 | C33 | H321 | 120.0° | 123.6° |
| C31 | C32 | C33 | H322 | 118.5° | 120.7° |
| C31 | C32 | H321 | H322 | 118.6° | 118.9° |
| C31 | C32 | C33 | C34 | 154.4° | 93.7° |
| C31 | C32 | C33 | H33 | 25.6° | 86.9° |
| H311 | C31 | C32 | C33 | 17.7° | 60.0° |
| H311 | C31 | C32 | H321 | 137.7° | 175.4° |
| H311 | C31 | C32 | H322 | 100.8° | 59.3° |
| H312 | C31 | C32 | C33 | 101.5° | 55.6° |
| H312 | C31 | C32 | H321 | 18.5° | 69.0° |
| H312 | C31 | C32 | H322 | 139.9° | 175.0° |
| C33 | C32 | H321 | H322 | 118.6° | 117.0° |
| C32 | C33 | C34 | H33 | 180.0° | 179.3° |
| C32 | C33 | C34 | C35 | 0.3° | 0.1° |
| C32 | C33 | C34 | C36 | 178.8° | 177.4° |
| H321 | C32 | C33 | C34 | 85.6° | 29.9° |
| H321 | C32 | C33 | H33 | 94.4° | 149.4° |
| H322 | C32 | C33 | C34 | 35.9° | 145.5° |
| H322 | C32 | C33 | H33 | 144.1° | 33.8° |
| C33 | C34 | C35 | C36 | 178.5° | 177.7° |
| C33 | C34 | C35 | H351 | 156.6° | 119.9° |
| C33 | C34 | C35 | H352 | 36.6° | 0.1° |
| C33 | C34 | C35 | H353 | 83.4° | 119.9° |
| C33 | C34 | C36 | C37 | 100.3° | 94.6° |
| C33 | C34 | C36 | H361 | 139.7° | 30.0° |
| C33 | C34 | C36 | H362 | 20.1° | 144.6° |
| H33 | C33 | C34 | C35 | 179.7° | 179.4° |
| H33 | C33 | C34 | C36 | 1.2° | 2.0° |
| C34 | C35 | H351 | H352 | 120.0° | 122.6° |
| C34 | C35 | H351 | H353 | 120.0° | 121.5° |
| C34 | C35 | H352 | H353 | 120.0° | 122.0° |
| C35 | C34 | C36 | C37 | 78.3° | 87.8° |
| C35 | C34 | C36 | H361 | 41.7° | 147.5° |
| C35 | C34 | C36 | H362 | 161.3° | 33.0° |
| C36 | C34 | C35 | H351 | 21.8° | 57.8° |
| C36 | C34 | C35 | H352 | 141.9° | 177.5° |
| C36 | C34 | C35 | H353 | 98.1° | 62.5° |
| C34 | C36 | C37 | H361 | 120.0° | 125.8° |
| C34 | C36 | C37 | H362 | 120.4° | 120.5° |
| C34 | C36 | H361 | H362 | 120.4° | 116.7° |
| C34 | C36 | C37 | C38 | 106.9° | 65.8° |
| C34 | C36 | C37 | H371 | 13.1° | 175.7° |
| C34 | C36 | C37 | H372 | 134.0° | 61.2° |
| H351 | C35 | H352 | H353 | 120.0° | 116.6° |
| C37 | C36 | H361 | H362 | 120.4° | 116.2° |
| C36 | C37 | C38 | H371 | 120.0° | 119.0° |
| C36 | C37 | C38 | H372 | 119.0° | 125.5° |
| C36 | C37 | H371 | H372 | 119.1° | 117.5° |
| C36 | C37 | C38 | C39 | 174.2° | 121.0° |
| C36 | C37 | C38 | H38 | 5.8° | 61.4° |
| H361 | C36 | C37 | C38 | 133.1° | 60.0° |
| H361 | C36 | C37 | H371 | 106.9° | 58.5° |
| H361 | C36 | C37 | H372 | 14.0° | 173.0° |
| H362 | C36 | C37 | C38 | 13.5° | 173.7° |
| H362 | C36 | C37 | H371 | 133.5° | 55.2° |
| H362 | C36 | C37 | H372 | 105.6° | 59.3° |
| C38 | C37 | H371 | H372 | 119.1° | 120.3° |
| C37 | C38 | C39 | H38 | 180.0° | 177.5° |
| C37 | C38 | C39 | C40 | 179.7° | 180.0° |
| C37 | C38 | C39 | C41 | 0.3° | 3.9° |
| H371 | C37 | C38 | C39 | 54.2° | 120.0° |
| H371 | C37 | C38 | H38 | 125.8° | 57.6° |
| H372 | C37 | C38 | C39 | 66.7° | 4.5° |
| H372 | C37 | C38 | H38 | 113.3° | 173.1° |
| C38 | C39 | C40 | C41 | 179.4° | 176.3° |
| C38 | C39 | C40 | H401 | 48.5° | 6.4° |
| C38 | C39 | C40 | H402 | 168.5° | 126.2° |
| C38 | C39 | C40 | H403 | 71.5° | 114.2° |
| C38 | C39 | C41 | C42 | 113.9° | 119.3° |
| C38 | C39 | C41 | H411 | 6.2° | 120.0° |
| C38 | C39 | C41 | H412 | 120.7° | 5.4° |
| H38 | C38 | C39 | C40 | 0.3° | 2.4° |
| H38 | C38 | C39 | C41 | 179.7° | 178.6° |
| C39 | C40 | H401 | H402 | 120.0° | 121.7° |
| C39 | C40 | H401 | H403 | 120.0° | 122.3° |
| C39 | C40 | H402 | H403 | 119.9° | 120.7° |
| C40 | C39 | C41 | C42 | 66.8° | 64.2° |
| C40 | C39 | C41 | H411 | 173.2° | 56.5° |
| C40 | C39 | C41 | H412 | 58.7° | 171.1° |
| C41 | C39 | C40 | H401 | 132.1° | 169.9° |
| C41 | C39 | C40 | H402 | 12.1° | 50.1° |
| C41 | C39 | C40 | H403 | 107.8° | 69.5° |
| C39 | C41 | C42 | H411 | 120.0° | 120.4° |
| C39 | C41 | C42 | H412 | 125.5° | 125.6° |
| C39 | C41 | H411 | H412 | 142.4° | 118.2° |
| C39 | C41 | C42 | C43 | 90.0° | 59.6° |
| C39 | C41 | C42 | H421 | 90.0° | 67.8° |
| C39 | C41 | C42 | H422 | 90.0° | 177.7° |
| H401 | C40 | H402 | H403 | 120.0° | 115.2° |
| C42 | C41 | H411 | H412 | 142.4° | 116.3° |
| C41 | C42 | C43 | H421 | 90.0° | 125.7° |
| C41 | C42 | C43 | H422 | 90.0° | 118.5° |
| C41 | C42 | H421 | H422 | 90.0° | 115.7° |
| C41 | C42 | C43 | C44 | 90.0° | 125.7° |
| C41 | C42 | C43 | H43 | 90.0° | 57.0° |
| H411 | C41 | C42 | C43 | 90.0° | 180.0° |
| H411 | C41 | C42 | H421 | 90.0° | 52.6° |
| H411 | C41 | C42 | H422 | 90.0° | 61.9° |
| H412 | C41 | C42 | C43 | 90.0° | 66.0° |
| H412 | C41 | C42 | H421 | 90.0° | 166.6° |
| H412 | C41 | C42 | H422 | 90.0° | 52.2° |
| C43 | C42 | H421 | H422 | 90.0° | 116.6° |
| C42 | C43 | C44 | H43 | 90.0° | 177.2° |
| C42 | C43 | C44 | C45 | 90.0° | 180.0° |
| C42 | C43 | C44 | C46 | 90.0° | 2.8° |
| H421 | C42 | C43 | C44 | 90.0° | 0.0° |
| H421 | C42 | C43 | H43 | 90.0° | 177.3° |
| H422 | C42 | C43 | C44 | 90.0° | 115.8° |
| H422 | C42 | C43 | H43 | 90.0° | 61.5° |
| C43 | C44 | C45 | C46 | 90.0° | 177.5° |
| C43 | C44 | C45 | H451 | 90.0° | 115.2° |
| C43 | C44 | C45 | H452 | 90.0° | 5.2° |
| C43 | C44 | C45 | H453 | 90.0° | 124.7° |
| C43 | C44 | C46 | C47 | 90.0° | 91.5° |
| C43 | C44 | C46 | H461 | 90.0° | 30.0° |
| C43 | C44 | C46 | H462 | 90.0° | 145.3° |
| H43 | C43 | C44 | C45 | 90.0° | 2.8° |
| H43 | C43 | C44 | C46 | 90.0° | 174.4° |
| C44 | C45 | H451 | H452 | 90.0° | 123.1° |
| C44 | C45 | H451 | H453 | 90.0° | 121.2° |
| C44 | C45 | H452 | H453 | 90.0° | 121.3° |
| C45 | C44 | C46 | C47 | 90.0° | 85.8° |
| C45 | C44 | C46 | H461 | 90.0° | 152.7° |
| C45 | C44 | C46 | H462 | 90.0° | 37.4° |
| C46 | C44 | C45 | H451 | 90.0° | 67.3° |
| C46 | C44 | C45 | H452 | 90.0° | 172.3° |
| C46 | C44 | C45 | H453 | 90.0° | 52.8° |
| C44 | C46 | C47 | H461 | 90.0° | 120.8° |
| C44 | C46 | C47 | H462 | 90.0° | 124.4° |
| C44 | C46 | H461 | H462 | 90.0° | 119.4° |
| C44 | C46 | C47 | C48 | 90.0° | 179.2° |
| C44 | C46 | C47 | H471 | 90.0° | 62.1° |
| C44 | C46 | C47 | H472 | 90.0° | 54.8° |
| H451 | C45 | H452 | H453 | 90.0° | 116.6° |
| C47 | C46 | H461 | H462 | 90.0° | 117.4° |
| C46 | C47 | C48 | H471 | 90.0° | 120.0° |
| C46 | C47 | C48 | H472 | 90.0° | 122.7° |
| C46 | C47 | H471 | H472 | 90.0° | 118.6° |
| C46 | C47 | C48 | C49 | 90.0° | 120.0° |
| C46 | C47 | C48 | H48 | 90.0° | 58.7° |
| H461 | C46 | C47 | C48 | 90.0° | 60.0° |
| H461 | C46 | C47 | H471 | 90.0° | 58.7° |
| H461 | C46 | C47 | H472 | 90.0° | 175.6° |
| H462 | C46 | C47 | C48 | 90.0° | 54.7° |
| H462 | C46 | C47 | H471 | 90.0° | 173.4° |
| H462 | C46 | C47 | H472 | 90.0° | 69.7° |
| C48 | C47 | H471 | H472 | 90.0° | 120.9° |
| C47 | C48 | C49 | H48 | 90.0° | 178.6° |
| C47 | C48 | C49 | C50 | 90.0° | 180.0° |
| C47 | C48 | C49 | C51 | 90.0° | 0.7° |
| H471 | C47 | C48 | C49 | 90.0° | 120.0° |
| H471 | C47 | C48 | H48 | 90.0° | 61.3° |
| H472 | C47 | C48 | C49 | 90.0° | 2.7° |
| H472 | C47 | C48 | H48 | 90.0° | 178.6° |
| C48 | C49 | C50 | C51 | 90.0° | 179.3° |
| C48 | C49 | C50 | H501 | 90.0° | 114.1° |
| C48 | C49 | C50 | H502 | 90.0° | 126.2° |
| C48 | C49 | C50 | H503 | 90.0° | 6.9° |
| C48 | C49 | C51 | C52 | 90.0° | 88.4° |
| C48 | C49 | C51 | H511 | 90.0° | 150.0° |
| C48 | C49 | C51 | H512 | 90.0° | 34.8° |
| H48 | C48 | C49 | C50 | 90.0° | 1.4° |
| H48 | C48 | C49 | C51 | 90.0° | 177.9° |
| C49 | C50 | H501 | H502 | 90.0° | 120.7° |
| C49 | C50 | H501 | H503 | 90.0° | 124.5° |
| C49 | C50 | H502 | H503 | 90.0° | 123.5° |
| C50 | C49 | C51 | C52 | 90.0° | 92.2° |
| C50 | C49 | C51 | H511 | 90.0° | 29.3° |
| C50 | C49 | C51 | H512 | 90.0° | 144.5° |
| C51 | C49 | C50 | H501 | 90.0° | 66.6° |
| C51 | C49 | C50 | H502 | 90.0° | 53.1° |
| C51 | C49 | C50 | H503 | 90.0° | 172.4° |
| C49 | C51 | C52 | H511 | 90.0° | 121.4° |
| C49 | C51 | C52 | H512 | 90.0° | 123.8° |
| C49 | C51 | H511 | H512 | 90.0° | 118.5° |
| C49 | C51 | C52 | C53 | 90.0° | 178.6° |
| C49 | C51 | C52 | H521 | 90.0° | 63.0° |
| C49 | C51 | C52 | H522 | 90.0° | 52.2° |
| H501 | C50 | H502 | H503 | 90.0° | 115.4° |
| C52 | C51 | H511 | H512 | 90.0° | 117.4° |
| C51 | C52 | C53 | H521 | 90.0° | 119.1° |
| C51 | C52 | C53 | H522 | 90.0° | 125.3° |
| C51 | C52 | H521 | H522 | 90.0° | 118.4° |
| C51 | C52 | C53 | C54 | 90.0° | 91.0° |
| C51 | C52 | C53 | H53 | 90.0° | 89.1° |
| H511 | C51 | C52 | C53 | 90.0° | 60.0° |
| H511 | C51 | C52 | H521 | 90.0° | 58.4° |
| H511 | C51 | C52 | H522 | 90.0° | 173.6° |
| H512 | C51 | C52 | C53 | 90.0° | 54.7° |
| H512 | C51 | C52 | H521 | 90.0° | 173.2° |
| H512 | C51 | C52 | H522 | 90.0° | 71.7° |
| C53 | C52 | H521 | H522 | 90.0° | 120.1° |
| C52 | C53 | C54 | H53 | 90.0° | 180.0° |
| C52 | C53 | C54 | C55 | 90.0° | 180.0° |
| C52 | C53 | C54 | C56 | 90.0° | 0.8° |
| H521 | C52 | C53 | C54 | 90.0° | 150.0° |
| H521 | C52 | C53 | H53 | 90.0° | 30.0° |
| H522 | C52 | C53 | C54 | 90.0° | 34.4° |
| H522 | C52 | C53 | H53 | 90.0° | 145.6° |
| C53 | C54 | C55 | C56 | 90.0° | 179.3° |
| C53 | C54 | C55 | H551 | 90.0° | 1.9° |
| C53 | C54 | C55 | H552 | 90.0° | 118.8° |
| C53 | C54 | C55 | H553 | 90.0° | 122.0° |
| C53 | C54 | C56 | H561 | 90.0° | 119.7° |
| C53 | C54 | C56 | H562 | 90.0° | 120.6° |
| C53 | C54 | C56 | H563 | 90.0° | 0.4° |
| H53 | C53 | C54 | C55 | 90.0° | 0.0° |
| H53 | C53 | C54 | C56 | 90.0° | 179.2° |
| C54 | C55 | H551 | H552 | 90.0° | 122.1° |
| C54 | C55 | H551 | H553 | 90.0° | 121.7° |
| C54 | C55 | H552 | H553 | 90.0° | 120.2° |
| C55 | C54 | C56 | H561 | 90.0° | 59.6° |
| C55 | C54 | C56 | H562 | 90.0° | 60.1° |
| C55 | C54 | C56 | H563 | 90.0° | 179.7° |
| C56 | C54 | C55 | H551 | 90.0° | 177.4° |
| C56 | C54 | C55 | H552 | 90.0° | 62.0° |
| C56 | C54 | C55 | H553 | 90.0° | 57.2° |
| C54 | C56 | H561 | H562 | 90.0° | 120.8° |
| C54 | C56 | H561 | H563 | 90.0° | 123.0° |
| C54 | C56 | H562 | H563 | 90.0° | 123.0° |
| H551 | C55 | H552 | H553 | 90.0° | 115.5° |
| H561 | C56 | H562 | H563 | 90.0° | 116.2° |
